| 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 | 30.7 | Very low | 59.1 | Low | 225 Ų | 225 | 113.5 Ų | 113.5 | 100% | 1.108 | 68% | 0.68 | S | S | * | * | 0 | 88.8 | 0 | -76.7 | -173 | 176.1 | 0 | 0 | 106.5 | C3 | M1-C3 PolarHBondContact O-N 3.46Š| |||
| 2 | D | 29.9 | Very low | 61.7 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | trans | -89 | 89.1 | 170.2 | -77.6 | -31.9 | 0 | 0 | 0 | 107.6 | A4 | D2-A4 PolarHBondContact O-N 3.28Š| ||
| 3 | C | 36.3 | Very low | 63.8 | Low | 77 Ų | 77 | 112.2 Ų | 112.2 | 52% | 0.52 | 64% | 0.644 | S | S | . | * | trans | -75.9 | 52.9 | 177.9 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | M1 N5 V6 | M1-C3 PolarHBondContact O-N 3.46Å; C3-N5 PolarHBondContact O-N 3.06Å; C3-V6 HydrophobicContact CB-CB 3.83Å; C3-V6 HydrophobicContact CB-CG2 3.41Å; C3-V6 VanDerWaalsContact CB-CG2 3.41Å; C3-V6 PolarHBondContact O-N 3.25Å | ||
| 4 | A | 45.4 | Very low | 65.6 | Low | 95 Ų | 95 | 106.7 Ų | 106.7 | 79% | 0.785 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 3.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | D2 | D2-A4 PolarHBondContact O-N 3.28Š|
| 5 | N | 45 | Very low | 66.9 | Low | 168 Ų | 168 | 103.3 Ų | 103.3 | 90% | 0.898 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.1 | 21.9 | 174.2 | -92.7 | -16.5 | 0 | 0 | 0 | 114 | C3 | C3-N5 PolarHBondContact O-N 3.06Š|
| 6 | V | 56.7 | Low | 68 | Low | 96 Ų | 96 | 99.9 Ų | 99.9 | 58% | 0.582 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -95 | 119.2 | -179 | -175.3 | 0 | 0 | 0 | 0 | 110 | C3 Q8 | C3-V6 HydrophobicContact CB-CB 3.83Å; C3-V6 HydrophobicContact CB-CG2 3.41Å; C3-V6 VanDerWaalsContact CB-CG2 3.41Å; C3-V6 PolarHBondContact O-N 3.25Å; V6-Q8 PolarHBondContact O-N 2.86Å |
| 7 | G | 70.3 | Confident | 69.1 | Low | 73 Ų | 73 | 103.2 Ų | 103.2 | 75% | 0.753 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 126.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 8 | Q | 76.1 | Confident | 70 | Confident | 140 Ų | 140 | 97.7 Ų | 97.7 | 65% | 0.654 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 146.8 | 175.7 | -66 | -177.9 | -3.7 | 0 | 0 | 110.3 | V6 V10 | V6-Q8 PolarHBondContact O-N 2.86Å; Q8-V10 PolarHBondContact O-N 3.49Å |
| 9 | I | 85.7 | Confident | 70.9 | Confident | 92 Ų | 92 | 93.9 Ų | 93.9 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | trans | -73.4 | 113.4 | 175.3 | -55.4 | 176.2 | 0 | 0 | 0 | 108.5 | L12 L1746 R1757 | I9-L12 HydrophobicContact CG2-CD2 4.01Å; I9-L12 HydrophobicContact CG2-CG 4.46Å; I9-L1746 HydrophobicContact CB-CD1 4.32Å; I9-L1746 HydrophobicContact CG2-CD1 3.65Å; I9-R1757 PolarHBondContact O-NH1 3.42Å | ||
| 10 | V | 85.5 | Confident | 71.7 | Confident | 107 Ų | 107 | 94 Ų | 94 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | trans | -85.4 | -38.1 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | Q8 R1757 | Q8-V10 PolarHBondContact O-N 3.49Å; V10-R1757 PolarHBondContact O-NH1 3.1Å | ||
| 11 | G | 88.5 | Confident | 72.5 | Confident | 25 Ų | 25 | 91.2 Ų | 91.2 | 26% | 0.258 | 51% | 0.514 | S | S | . | . | trans | -160.7 | 166.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1744 | G11-D1744 CarbonylContact C-O 3.49Å; G11-D1744 WeakPolarHBondContact CA-O 3.39Å | ||
| 12 | L | 90.5 | Very high | 75.3 | Confident | 66 Ų | 66 | 80.9 Ų | 80.9 | 35% | 0.346 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130 | 179 | -66.2 | 176.5 | 0 | 0 | 0 | 110.4 | I9 I1722 M1743 D1744 L1746 | I9-L12 HydrophobicContact CG2-CD2 4.01Å; I9-L12 HydrophobicContact CG2-CG 4.46Å; L12-I1722 HydrophobicContact CD1-CD1 3.97Å; L12-M1743 WeakPolarHBondContact O-CA 3.22Å; L12-M1743 WeakPolarHBondContact O-CG 3.48Å; L12-D1744 PolarHBondContact N-O 3.4Å; L12-D1744 PolarHBondContact O-N 3.06Å; L12-L1746 HydrophobicContact CD1-CD2 3.96Å; L12-L1746 HydrophobicContact CG-CD1 4.32Å; L12-L1746 HydrophobicContact CG-CD2 4.17Å |
| 13 | R | 89.5 | Confident | 78.2 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.3 | 173.7 | -174.5 | 178.9 | -178.3 | 179 | 2.7 | 109.7 | D1741 | R13-D1741 IonicContact CZ-OD1 3.02Å; R13-D1741 IonicContact CZ-OD2 3.8Å; R13-D1741 IonicContact NE-OD1 3.2Å; R13-D1741 PolarHBondContact NE-OD1 2.89Å; R13-D1741 IonicContact NE-OD2 2.83Å; R13-D1741 IonicContact NH2-OD1 3.04Å; R13-D1741 PolarHBondContact NH2-OD1 3.44Å; R13-D1741 IonicContact NH2-OD2 2.97Å; R13-D1741 PolarHBondContact NH2-OD2 2.98Å |
| 14 | Y | 87.8 | Confident | 80.8 | Confident | 35 Ų | 35 | 83.7 Ų | 83.7 | 14% | 0.137 | 45% | 0.452 | C | S | . | . | trans | -90.2 | 132.5 | 178.4 | -58.9 | -84.7 | 0 | 0 | 0 | 110.4 | P1721 I1722 M1725 L1734 S1742 D1744 | Y14-P1721 HydrophobicContact CE2-CB 4.12Å; Y14-P1721 HydrophobicContact CE2-CG 4.31Å; Y14-I1722 WeakPolarHBondContact OH-CG1 3.34Å; Y14-M1725 HydrophobicContact CE1-CE 3.93Å; Y14-L1734 HydrophobicContact CD1-CD1 3.58Å; Y14-L1734 HydrophobicContact CE1-CD1 3.82Å; Y14-S1742 WeakPolarHBondContact CD2-O 3.31Å; Y14-D1744 HydrophobicContact CE2-CB 4.43Å | ||
| 15 | G | 85.8 | Confident | 83 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 58% | 0.577 | 44% | 0.437 | S | S | * | . | trans | -157.1 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1738 | G15-L1738 VanDerWaalsContact N-CD2 3.35Š| ||
| 16 | F | 84.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | trans | -110.6 | 145.3 | 177.5 | -65.5 | -83.6 | 0 | 0 | 0 | 111.2 | M90 M296 V310 L1738 | F16-M90 HydrophobicContact CE1-CE 4.39Å; F16-M90 HydrophobicContact CE1-CG 4.09Å; F16-M90 HydrophobicContact CE2-CE 4.26Å; F16-M90 HydrophobicContact CZ-CE 3.48Å; F16-M90 VanDerWaalsContact CZ-CE 3.48Å; F16-M90 HydrophobicContact CZ-CG 3.71Å; F16-M90 HydrophobicContact CZ-SD 4.35Å; F16-M296 HydrophobicContact CE2-SD 4.22Å; F16-V310 HydrophobicContact CB-CG1 4.05Å; F16-V310 HydrophobicContact CD1-CG1 3.77Å; F16-V310 HydrophobicContact CD2-CG1 3.44Å; F16-V310 VanDerWaalsContact CD2-CG1 3.44Å; F16-V310 HydrophobicContact CE1-CG1 3.98Å; F16-V310 HydrophobicContact CE2-CG1 3.66Å; F16-V310 HydrophobicContact CG-CG1 3.47Å; F16-V310 VanDerWaalsContact CG-CG1 3.47Å; F16-V310 HydrophobicContact CZ-CG1 3.89Å; F16-L1738 HydrophobicContact CD2-CD2 4.43Å; F16-L1738 HydrophobicContact CE1-CD1 4.42Å; F16-L1738 HydrophobicContact CE2-CB 4.3Å; F16-L1738 HydrophobicContact CE2-CD2 4.18Å; F16-L1738 HydrophobicContact CZ-CB 4.28Å; F16-L1738 HydrophobicContact CZ-CD1 4.24Å; F16-L1738 HydrophobicContact CZ-CD2 4.39Å | ||
| 17 | Y | 85.9 | Confident | 86.9 | Confident | 155 Ų | 155 | 74 Ų | 74 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | trans | -80.3 | 136.1 | 170 | -65.2 | -69.3 | 0 | 0 | 0 | 110.9 | E21 L25 | Y17-E21 WeakPolarHBondContact CA-OE2 3.31Å; Y17-L25 HydrophobicContact CD1-CD1 3.91Å; Y17-L25 HydrophobicContact CE1-CD1 3.71Å | ||
| 18 | S | 85.7 | Confident | 87.9 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | trans | -77.9 | 157 | 169.2 | 81.8 | 0 | 0 | 0 | 0 | 112 | D20 E21 V22 H304 | S18-D20 PolarHBondContact O-N 3.37Å; S18-D20 VanDerWaalsContact O-N 3.14Å; S18-E21 PolarHBondContact N-OE2 3.03Å; S18-E21 WeakPolarHBondContact O-CB 3.49Å; S18-E21 PolarHBondContact O-N 2.91Å; S18-E21 WeakPolarHBondContact OG-CG 3.44Å; S18-E21 PolarHBondContact OG-N 3.47Å; S18-E21 VanDerWaalsContact OG-N 3.09Å; S18-V22 WeakPolarHBondContact O-CG2 3.27Å; S18-V22 PolarHBondContact O-N 3.24Å; S18-H304 VanDerWaalsContact CB-CE1 3.46Å; S18-H304 WeakPolarHBondContact CB-CE1 3.49Å | ||
| 19 | S | 87.1 | Confident | 88.8 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 18% | 0.175 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.3 | -33.7 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | R23 D314 N315 | S19-R23 WeakPolarHBondContact O-CG 3.42Å; S19-R23 PolarHBondContact O-N 3.31Å; S19-D314 PolarHBondContact OG-OD2 3.28Å; S19-N315 PolarHBondContact O-ND2 2.97Å |
| 20 | D | 87.8 | Confident | 89.1 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -79.1 | -32 | 177.9 | -64.3 | -29.4 | 0 | 0 | 0 | 112.9 | S18 R23 R24 | S18-D20 PolarHBondContact O-N 3.37Å; S18-D20 VanDerWaalsContact O-N 3.14Å; D20-R23 PolarHBondContact O-N 2.89Å; D20-R23 IonicContact OD1-NH1 3.99Å; D20-R23 PolarHBondContact OD1-NH1 3.23Å; D20-R24 WeakPolarHBondContact O-CB 3.49Å; D20-R24 WeakPolarHBondContact O-CG 3.4Å; D20-R24 PolarHBondContact O-N 2.86Å |
| 21 | E | 87.5 | Confident | 89.2 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 169.5 | -77.3 | 173.7 | 160 | 0 | 0 | 111.9 | Y17 S18 R23 R24 L25 N303 | Y17-E21 WeakPolarHBondContact CA-OE2 3.31Å; S18-E21 PolarHBondContact N-OE2 3.03Å; S18-E21 WeakPolarHBondContact O-CB 3.49Å; S18-E21 PolarHBondContact O-N 2.91Å; S18-E21 WeakPolarHBondContact OG-CG 3.44Å; S18-E21 PolarHBondContact OG-N 3.47Å; S18-E21 VanDerWaalsContact OG-N 3.09Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.46Å; E21-R24 PolarHBondContact O-N 3.27Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-R24 IonicContact OE1-NH2 3.36Å; E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 WeakPolarHBondContact O-CG 3.34Å; E21-L25 PolarHBondContact O-N 3.23Å; E21-N303 PolarHBondContact OE1-ND2 2.96Å |
| 22 | V | 89.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | S18 L25 S26 H78 N315 L317 | S18-V22 WeakPolarHBondContact O-CG2 3.27Å; S18-V22 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 2.94Å; V22-S26 VanDerWaalsContact O-CB 3.22Å; V22-S26 WeakPolarHBondContact O-CB 3.38Å; V22-S26 PolarHBondContact O-N 2.81Å; V22-H78 HydrophobicContact CG1-CB 3.91Å; V22-N315 HydrophobicContact CG1-CB 4.37Å; V22-L317 HydrophobicContact CG1-CB 4.23Å; V22-L317 HydrophobicContact CG1-CD1 3.87Å |
| 23 | R | 91.5 | Very high | 88.8 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.3 | -71.5 | 175.1 | -174.6 | 125.4 | -1.6 | 112.6 | S19 D20 E21 S26 E80 | S19-R23 WeakPolarHBondContact O-CG 3.42Å; S19-R23 PolarHBondContact O-N 3.31Å; D20-R23 PolarHBondContact O-N 2.89Å; D20-R23 IonicContact OD1-NH1 3.99Å; D20-R23 PolarHBondContact OD1-NH1 3.23Å; E21-R23 VanDerWaalsContact C-N 3.28Å; E21-R23 PolarHBondContact O-N 3.46Å; R23-S26 PolarHBondContact O-N 3.09Å; R23-E80 IonicContact CZ-OE1 2.78Å; R23-E80 IonicContact NE-OE1 3.3Å; R23-E80 IonicContact NH2-OE1 3.8Å; R23-E80 PolarHBondContact NH2-OE1 3.39Å; R23-E80 VanDerWaalsContact NH2-OE1 3.09Å |
| 24 | R | 90.8 | Very high | 88.6 | Confident | 189 Ų | 189 | 64.4 Ų | 64.4 | 71% | 0.713 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 177.5 | -77.1 | -172.6 | -68.9 | 162.3 | -3.8 | 113 | D20 E21 | D20-R24 WeakPolarHBondContact O-CB 3.49Å; D20-R24 WeakPolarHBondContact O-CG 3.4Å; D20-R24 PolarHBondContact O-N 2.86Å; E21-R24 PolarHBondContact O-N 3.27Å; E21-R24 VanDerWaalsContact O-N 3.12Å; E21-R24 IonicContact OE1-NH2 3.36Å |
| 25 | L | 90 | Very high | 88.2 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -76.8 | -26.1 | 177.4 | -70.6 | 171.2 | 0 | 0 | 0 | 112.4 | Y17 E21 V22 | Y17-L25 HydrophobicContact CD1-CD1 3.91Å; Y17-L25 HydrophobicContact CE1-CD1 3.71Å; E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 WeakPolarHBondContact O-CG 3.34Å; E21-L25 PolarHBondContact O-N 3.23Å; V22-L25 PolarHBondContact O-N 2.94Å |
| 26 | S | 92.4 | Very high | 88.1 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 12% | 0.119 | 30% | 0.299 | C | S | . | . | trans | -80.1 | 131.6 | -176.7 | -178 | 0 | 0 | 0 | 0 | 112.5 | V22 R23 R28 C76 G77 H78 | V22-S26 VanDerWaalsContact O-CB 3.22Å; V22-S26 WeakPolarHBondContact O-CB 3.38Å; V22-S26 PolarHBondContact O-N 2.81Å; R23-S26 PolarHBondContact O-N 3.09Å; S26-R28 PolarHBondContact OG-O 2.77Å; S26-R28 VanDerWaalsContact OG-O 3.12Å; S26-C76 WeakPolarHBondContact CA-O 3.47Å; S26-G77 VanDerWaalsContact OG-CA 3.3Å; S26-G77 WeakPolarHBondContact OG-CA 3.38Å; S26-H78 WeakPolarHBondContact CB-ND1 3.48Å; S26-H78 PolarHBondContact OG-N 3.37Å; S26-H78 PolarHBondContact OG-ND1 3.47Å | ||
| 27 | V | 91.8 | Very high | 88 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -80 | -34.7 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 112.3 | N52 H64 H75 C76 | V27-N52 HydrophobicContact CG1-CB 4.08Å; V27-H64 HydrophobicContact CG1-CB 3.98Å; V27-H64 VanDerWaalsContact CG1-ND1 3.32Å; V27-H64 WeakPolarHBondContact CG1-ND1 3.4Å; V27-H75 HydrophobicContact CB-CB 4.45Å; V27-H75 HydrophobicContact CG2-CB 3.63Å; V27-C76 PolarHBondContact N-O 2.95Å |
| 28 | R | 92 | Very high | 87.7 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 144.8 | -176.6 | -165.3 | 171.6 | -177.8 | 170.7 | 6.2 | 111.7 | S26 D50 N52 F53 G77 H78 | S26-R28 PolarHBondContact OG-O 2.77Å; S26-R28 VanDerWaalsContact OG-O 3.12Å; R28-D50 WeakPolarHBondContact CD-OD2 3.5Å; R28-D50 IonicContact CZ-OD2 2.77Å; R28-D50 IonicContact NE-OD2 3.71Å; R28-D50 PolarHBondContact NE-OD2 3.3Å; R28-D50 IonicContact NH1-OD1 3.39Å; R28-D50 PolarHBondContact NH1-OD1 3.1Å; R28-D50 IonicContact NH1-OD2 3.05Å; R28-D50 PolarHBondContact NH1-OD2 3.49Å; R28-N52 PolarHBondContact NH1-ND2 3.22Å; R28-N52 VanDerWaalsContact NH1-ND2 3.17Å; R28-F53 HydrophobicContact CB-CE1 3.79Å; R28-F53 HydrophobicContact CB-CZ 4.02Å; R28-F53 WeakPolarHBondContact O-CE1 3.45Å; R28-F53 WeakPolarHBondContact O-CZ 3.5Å; R28-G77 WeakPolarHBondContact O-CA 3.42Å; R28-H78 PolarHBondContact O-N 2.95Å |
| 29 | K | 93.4 | Very high | 87.3 | Confident | 90 Ų | 90 | 74 Ų | 74 | 39% | 0.391 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 134.4 | 171 | 177.9 | 175.5 | 171.5 | 172.9 | 0 | 110.3 | E80 | K29-E80 HydrophobicContact CD-CB 4.35Å; K29-E80 WeakPolarHBondContact CE-OE2 3.33Å; K29-E80 IonicContact NZ-OE2 2.73Å; K29-E80 PolarHBondContact NZ-OE2 2.95Å |
| 30 | V | 92.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 76.8 Ų | 76.8 | 6% | 0.055 | 37% | 0.367 | C | S | . | . | trans | -76.1 | 123.9 | 172.7 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | N32 G46 L48 F53 H78 I79 L318 V346 | V30-N32 WeakPolarHBondContact CG1-O 3.34Å; V30-G46 WeakPolarHBondContact CA-O 3.41Å; V30-L48 HydrophobicContact CG1-CD2 4.15Å; V30-L48 HydrophobicContact CG1-CG 4.49Å; V30-L48 HydrophobicContact CG2-CD2 4.33Å; V30-F53 HydrophobicContact CG2-CE2 4.12Å; V30-F53 HydrophobicContact CG2-CZ 4.15Å; V30-H78 PolarHBondContact N-O 2.97Å; V30-I79 HydrophobicContact CB-CG1 4.14Å; V30-I79 HydrophobicContact CG2-CG1 4.15Å; V30-L318 HydrophobicContact CG2-CD2 3.71Å; V30-V346 HydrophobicContact CG1-CG2 4.06Å | ||
| 31 | T | 87.8 | Confident | 86.2 | Confident | 91 Ų | 91 | 74.8 Ų | 74.8 | 56% | 0.558 | 37% | 0.369 | S | S | * | . | trans | -116.3 | -23.8 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 113 | G46 Q350 | T31-G46 PolarHBondContact N-O 3.27Å; T31-Q350 PolarHBondContact O-NE2 3.1Å | ||
| 32 | N | 88.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 80.4 Ų | 80.4 | 24% | 0.235 | 39% | 0.388 | C | S | . | . | trans | -108.5 | 140.8 | -176.8 | -161.7 | -26.1 | 0 | 0 | 0 | 111.2 | V30 L34 V44 G46 | V30-N32 WeakPolarHBondContact CG1-O 3.34Å; N32-L34 PolarHBondContact OD1-N 3.38Å; N32-V44 VanDerWaalsContact ND2-CG1 3.35Å; N32-V44 WeakPolarHBondContact ND2-CG1 3.46Å; N32-G46 PolarHBondContact N-O 3.38Å | ||
| 33 | D | 82.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 80.9 Ų | 80.9 | 22% | 0.219 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -84.5 | -22 | 177.4 | 69.8 | -43.2 | 0 | 0 | 0 | 113 | A35 V346 K347 | D33-A35 PolarHBondContact O-N 3.45Å; D33-V346 HydrophobicContact CB-CG1 3.93Å; D33-K347 HydrophobicContact CB-CG 3.88Å; D33-K347 WeakPolarHBondContact OD2-CE 3.37Å |
| 34 | L | 84.5 | Confident | 85.2 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | trans | -72.8 | 118.1 | 175.2 | -63.9 | 175.6 | 0 | 0 | 0 | 110.4 | N32 V44 | N32-L34 PolarHBondContact OD1-N 3.38Å; L34-V44 HydrophobicContact CB-CG2 4.08Å | ||
| 35 | A | 80.7 | Confident | 85 | Confident | 9 Ų | 9 | 74 Ų | 74 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -73.7 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D33 V44 L48 T339 | D33-A35 PolarHBondContact O-N 3.45Å; A35-V44 PolarHBondContact O-N 3.46Å; A35-L48 HydrophobicContact CB-CB 4.35Å; A35-T339 HydrophobicContact CB-CG2 4.15Å |
| 36 | F | 83.6 | Confident | 84.9 | Confident | 57 Ų | 57 | 69.7 Ų | 69.7 | 25% | 0.25 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 145.7 | -178.7 | -59.6 | -80.2 | 0 | 0 | 0 | 111 | R42 H49 I56 P326 | F36-R42 WeakPolarHBondContact CA-O 3.47Å; F36-H49 HydrophobicContact CE1-CB 4.22Å; F36-H49 AromaticContact CE1-CD2 3.73Å; F36-H49 AromaticContact CE2-CD2 3.49Å; F36-H49 VanDerWaalsContact CE2-CD2 3.49Å; F36-H49 WeakPolarHBondContact CE2-CD2 3.32Å; F36-H49 AromaticContact CE2-NE2 3.89Å; F36-H49 HydrophobicContact CZ-CB 4.45Å; F36-H49 AromaticContact CZ-CD2 3.1Å; F36-H49 WeakPolarHBondContact CZ-CD2 3.11Å; F36-H49 AromaticContact CZ-CG 3.82Å; F36-H49 AromaticContact CZ-NE2 3.53Å; F36-I56 HydrophobicContact CE1-CD1 3.9Å; F36-I56 HydrophobicContact CZ-CD1 4.39Å; F36-P326 HydrophobicContact CE1-CG 4.34Å; F36-P326 HydrophobicContact CE2-CG 4.43Å; F36-P326 HydrophobicContact CZ-CG 3.67Å |
| 37 | D | 82.6 | Confident | 84.7 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 28% | 0.283 | 35% | 0.352 | S | S | . | . | trans | -72.8 | 127.2 | 168.4 | 172.6 | 23.5 | 0 | 0 | 0 | 109.3 | F39 T40 G41 R42 V44 | D37-F39 PolarHBondContact O-N 2.9Å; D37-F39 PolarHBondContact OD1-N 3.3Å; D37-T40 WeakPolarHBondContact CB-OG1 3.35Å; D37-T40 WeakPolarHBondContact OD2-CB 3.29Å; D37-T40 VanDerWaalsContact OD2-CG2 3.29Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.38Å; D37-T40 PolarHBondContact OD2-N 2.92Å; D37-T40 PolarHBondContact OD2-OG1 2.94Å; D37-G41 WeakPolarHBondContact O-CA 3.31Å; D37-G41 PolarHBondContact O-N 3.35Å; D37-R42 PolarHBondContact N-O 3.5Å; D37-V44 HydrophobicContact CB-CG2 4.13Å; D37-V44 VanDerWaalsContact N-CG2 3.32Å | ||
| 38 | K | 78.7 | Confident | 84.6 | Confident | 190 Ų | 190 | 66.7 Ų | 66.7 | 83% | 0.826 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -26.1 | -178.2 | -67.1 | -176.9 | 179.7 | 179.3 | 0 | 112.8 | ||
| 39 | F | 78.4 | Confident | 84.5 | Confident | 191 Ų | 191 | 62.5 Ų | 62.5 | 84% | 0.838 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -44.5 | -176 | -63.1 | -76.9 | 0 | 0 | 0 | 113.2 | D37 | D37-F39 PolarHBondContact O-N 2.9Å; D37-F39 PolarHBondContact OD1-N 3.3Å |
| 40 | T | 76.7 | Confident | 84.2 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -17 | -176.2 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | D37 R42 | D37-T40 WeakPolarHBondContact CB-OG1 3.35Å; D37-T40 WeakPolarHBondContact OD2-CB 3.29Å; D37-T40 VanDerWaalsContact OD2-CG2 3.29Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.38Å; D37-T40 PolarHBondContact OD2-N 2.92Å; D37-T40 PolarHBondContact OD2-OG1 2.94Å; T40-R42 PolarHBondContact O-N 2.88Å; T40-R42 VanDerWaalsContact O-N 3.12Å; T40-R42 PolarHBondContact OG1-N 2.89Å |
| 41 | G | 75.3 | Confident | 84.1 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 55% | 0.546 | 31% | 0.313 | S | S | . | . | trans | 66.9 | 1.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | D37 | D37-G41 WeakPolarHBondContact O-CA 3.31Å; D37-G41 PolarHBondContact O-N 3.35Å | ||
| 42 | R | 78.7 | Confident | 84.2 | Confident | 154 Ų | 154 | 56.8 Ų | 56.8 | 58% | 0.581 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -79 | 156 | 176.6 | -65.9 | -174.7 | 178.6 | -173.6 | -2.6 | 110.4 | F36 D37 T40 V44 E60 | F36-R42 WeakPolarHBondContact CA-O 3.47Å; D37-R42 PolarHBondContact N-O 3.5Å; T40-R42 PolarHBondContact O-N 2.88Å; T40-R42 VanDerWaalsContact O-N 3.12Å; T40-R42 PolarHBondContact OG1-N 2.89Å; R42-V44 PolarHBondContact O-N 3.38Å; R42-E60 IonicContact CZ-OE1 2.65Å; R42-E60 IonicContact NE-OE1 3.82Å |
| 43 | G | 81.8 | Confident | 84.3 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 134.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | H49 | G43-H49 WeakPolarHBondContact CA-O 3.42Å |
| 44 | V | 87.3 | Confident | 84.5 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 138.1 | 178.5 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | N32 L34 A35 D37 R42 G46 G47 | N32-V44 VanDerWaalsContact ND2-CG1 3.35Å; N32-V44 WeakPolarHBondContact ND2-CG1 3.46Å; L34-V44 HydrophobicContact CB-CG2 4.08Å; A35-V44 PolarHBondContact O-N 3.46Å; D37-V44 HydrophobicContact CB-CG2 4.13Å; D37-V44 VanDerWaalsContact N-CG2 3.32Å; R42-V44 PolarHBondContact O-N 3.38Å; V44-G46 PolarHBondContact O-N 2.97Å; V44-G47 WeakPolarHBondContact O-CA 3.34Å; V44-G47 PolarHBondContact O-N 3.42Å |
| 45 | D | 86.9 | Confident | 84.5 | Confident | 114 Ų | 114 | 49.3 Ų | 49.3 | 61% | 0.61 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 129.3 | 172.6 | -74.4 | -26.4 | 0 | 0 | 0 | 110.9 | G47 | D45-G47 PolarHBondContact O-N 2.94Š|
| 46 | G | 86.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 3.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | V30 T31 N32 V44 D50 | V30-G46 WeakPolarHBondContact CA-O 3.41Å; T31-G46 PolarHBondContact N-O 3.27Å; N32-G46 PolarHBondContact N-O 3.38Å; V44-G46 PolarHBondContact O-N 2.97Å; G46-D50 WeakPolarHBondContact CA-OD2 3.38Å; G46-D50 PolarHBondContact N-OD2 3.37Å |
| 47 | G | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -86.1 | -171.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V44 D45 H49 F53 | V44-G47 WeakPolarHBondContact O-CA 3.34Å; V44-G47 PolarHBondContact O-N 3.42Å; D45-G47 PolarHBondContact O-N 2.94Å; G47-H49 VanDerWaalsContact C-N 3.27Å; G47-H49 PolarHBondContact O-N 3.49Å; G47-F53 WeakPolarHBondContact O-CE2 3.39Å |
| 48 | L | 89.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15 | -177.5 | -69.4 | 169.6 | 0 | 0 | 0 | 114.7 | V30 A35 L318 R324 T339 Y342 V343 V346 | V30-L48 HydrophobicContact CG1-CD2 4.15Å; V30-L48 HydrophobicContact CG1-CG 4.49Å; V30-L48 HydrophobicContact CG2-CD2 4.33Å; A35-L48 HydrophobicContact CB-CB 4.35Å; L48-L318 HydrophobicContact CD2-CD1 3.66Å; L48-L318 HydrophobicContact CD2-CD2 4.09Å; L48-R324 PolarHBondContact O-NH1 3.17Å; L48-R324 PolarHBondContact O-NH2 3.17Å; L48-T339 HydrophobicContact CB-CG2 4.08Å; L48-T339 HydrophobicContact CD1-CG2 3.76Å; L48-Y342 HydrophobicContact CD2-CG 4.47Å; L48-V343 HydrophobicContact CD1-CB 4.28Å; L48-V343 HydrophobicContact CD1-CG2 3.37Å; L48-V346 HydrophobicContact CD2-CG2 4.3Å |
| 49 | H | 88.6 | Confident | 84 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 32.9 | 179.4 | -75.4 | -59 | 0 | 0 | 0 | 111.9 | F36 G43 G47 I56 R324 T339 | F36-H49 HydrophobicContact CE1-CB 4.22Å; F36-H49 AromaticContact CE1-CD2 3.73Å; F36-H49 AromaticContact CE2-CD2 3.49Å; F36-H49 VanDerWaalsContact CE2-CD2 3.49Å; F36-H49 WeakPolarHBondContact CE2-CD2 3.32Å; F36-H49 AromaticContact CE2-NE2 3.89Å; F36-H49 HydrophobicContact CZ-CB 4.45Å; F36-H49 AromaticContact CZ-CD2 3.1Å; F36-H49 WeakPolarHBondContact CZ-CD2 3.11Å; F36-H49 AromaticContact CZ-CG 3.82Å; F36-H49 AromaticContact CZ-NE2 3.53Å; G43-H49 WeakPolarHBondContact CA-O 3.42Å; G47-H49 VanDerWaalsContact C-N 3.27Å; G47-H49 PolarHBondContact O-N 3.49Å; H49-I56 HydrophobicContact CB-CD1 3.78Å; H49-R324 PolarHBondContact CE1-O 2.76Å; H49-R324 VanDerWaalsContact CE1-O 3.23Å; H49-T339 PolarHBondContact NE2-OG1 3.03Å |
| 50 | D | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -53.7 | 139.3 | 172.7 | -166.6 | -59 | 0 | 0 | 0 | 111.4 | R28 G46 N52 F53 | R28-D50 WeakPolarHBondContact CD-OD2 3.5Å; R28-D50 IonicContact CZ-OD2 2.77Å; R28-D50 IonicContact NE-OD2 3.71Å; R28-D50 PolarHBondContact NE-OD2 3.3Å; R28-D50 IonicContact NH1-OD1 3.39Å; R28-D50 PolarHBondContact NH1-OD1 3.1Å; R28-D50 IonicContact NH1-OD2 3.05Å; R28-D50 PolarHBondContact NH1-OD2 3.49Å; G46-D50 WeakPolarHBondContact CA-OD2 3.38Å; G46-D50 PolarHBondContact N-OD2 3.37Å; D50-N52 PolarHBondContact O-N 3.12Å; D50-N52 WeakPolarHBondContact OD1-CB 3.29Å; D50-N52 PolarHBondContact OD1-N 3.47Å; D50-N52 PolarHBondContact OD1-ND2 3.17Å; D50-F53 HydrophobicContact CB-CD2 3.71Å; D50-F53 HydrophobicContact CB-CE2 3.7Å; D50-F53 HydrophobicContact CB-CG 4.42Å; D50-F53 HydrophobicContact CB-CZ 4.38Å; D50-F53 WeakPolarHBondContact O-CB 3.35Å; D50-F53 PolarHBondContact O-N 3.4Å | ||
| 51 | V | 88.6 | Confident | 84.7 | Confident | 38 Ų | 38 | 46 Ų | 46 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -59.4 | -21.8 | -178.8 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | F53 G54 V55 T61 C62 A63 | V51-F53 VanDerWaalsContact C-N 3.31Å; V51-F53 PolarHBondContact O-N 2.94Å; V51-G54 PolarHBondContact O-N 3.5Å; V51-V55 HydrophobicContact CG1-CG1 3.96Å; V51-T61 WeakPolarHBondContact CG1-O 3.25Å; V51-C62 PolarHBondContact O-SG 3.48Å; V51-A63 HydrophobicContact CB-CB 4.35Å; V51-A63 HydrophobicContact CG1-CB 4.11Å; V51-A63 PolarHBondContact O-N 3.23Å |
| 52 | N | 90.4 | Very high | 85.4 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -68.5 | -25.3 | 173.2 | -70 | -68.2 | 0 | 0 | 0 | 113.7 | V27 R28 D50 G54 A63 H75 | V27-N52 HydrophobicContact CG1-CB 4.08Å; R28-N52 PolarHBondContact NH1-ND2 3.22Å; R28-N52 VanDerWaalsContact NH1-ND2 3.17Å; D50-N52 PolarHBondContact O-N 3.12Å; D50-N52 WeakPolarHBondContact OD1-CB 3.29Å; D50-N52 PolarHBondContact OD1-N 3.47Å; D50-N52 PolarHBondContact OD1-ND2 3.17Å; N52-G54 VanDerWaalsContact C-N 3.26Å; N52-A63 WeakPolarHBondContact OD1-CB 3.38Å; N52-H75 PolarHBondContact O-CD2 2.96Å |
| 53 | F | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -84 | -3.7 | 178.1 | -55.2 | -37.3 | 0 | 0 | 0 | 113.1 | R28 V30 G47 D50 V51 H75 L318 S321 | R28-F53 HydrophobicContact CB-CE1 3.79Å; R28-F53 HydrophobicContact CB-CZ 4.02Å; R28-F53 WeakPolarHBondContact O-CE1 3.45Å; R28-F53 WeakPolarHBondContact O-CZ 3.5Å; V30-F53 HydrophobicContact CG2-CE2 4.12Å; V30-F53 HydrophobicContact CG2-CZ 4.15Å; G47-F53 WeakPolarHBondContact O-CE2 3.39Å; D50-F53 HydrophobicContact CB-CD2 3.71Å; D50-F53 HydrophobicContact CB-CE2 3.7Å; D50-F53 HydrophobicContact CB-CG 4.42Å; D50-F53 HydrophobicContact CB-CZ 4.38Å; D50-F53 WeakPolarHBondContact O-CB 3.35Å; D50-F53 PolarHBondContact O-N 3.4Å; V51-F53 VanDerWaalsContact C-N 3.31Å; V51-F53 PolarHBondContact O-N 2.94Å; F53-H75 WeakPolarHBondContact CA-O 3.49Å; F53-H75 PolarHBondContact O-N 2.96Å; F53-H75 VanDerWaalsContact O-N 3.09Å; F53-L318 HydrophobicContact CD2-CD2 3.91Å; F53-L318 HydrophobicContact CE2-CD2 3.65Å; F53-L318 HydrophobicContact CZ-CD2 4.16Å; F53-S321 PolarHBondContact O-N 3.5Å |
| 54 | G | 87.5 | Confident | 86.3 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | 120.6 | 152.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | V51 N52 | V51-G54 PolarHBondContact O-N 3.5Å; N52-G54 VanDerWaalsContact C-N 3.26Å | ||
| 55 | V | 84.4 | Confident | 86.5 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | trans | -83 | 151.3 | -178.5 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | V51 E60 C62 F69 | V51-V55 HydrophobicContact CG1-CG1 3.96Å; V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG1-CB 3.66Å; V55-C62 HydrophobicContact CG1-CB 4.33Å; V55-C62 VanDerWaalsContact CG1-N 3.35Å; V55-F69 VanDerWaalsContact CG2-CA 3.46Å; V55-F69 HydrophobicContact CG2-CB 3.84Å; V55-F69 HydrophobicContact CG2-CD2 4.36Å | ||
| 56 | I | 80.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 41 Ų | 41 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -104.8 | -31.6 | 174.8 | -58.1 | 173.6 | 0 | 0 | 0 | 110.4 | F36 H49 F69 | F36-I56 HydrophobicContact CE1-CD1 3.9Å; F36-I56 HydrophobicContact CZ-CD1 4.39Å; H49-I56 HydrophobicContact CB-CD1 3.78Å; I56-F69 WeakPolarHBondContact O-CE2 3.3Å |
| 57 | G | 76.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -96.5 | 143.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S59 E60 | G57-S59 PolarHBondContact O-N 2.67Å; G57-E60 PolarHBondContact O-N 3.06Å |
| 58 | Y | 77.7 | Confident | 86.5 | Confident | 189 Ų | 189 | 47.7 Ų | 47.7 | 74% | 0.741 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26 | 175.7 | -70.7 | -80.9 | 0 | 0 | 0 | 114.6 | F69 | Y58-F69 AromaticContact CD1-CD1 3.75Å; Y58-F69 HydrophobicContact CD1-CD1 3.75Å; Y58-F69 HydrophobicContact CD1-CE1 4.3Å; Y58-F69 HydrophobicContact CD1-CG 4.33Å; Y58-F69 AromaticContact CE1-CD1 3.54Å; Y58-F69 HydrophobicContact CE1-CD1 3.54Å; Y58-F69 AromaticContact CE1-CE1 3.68Å; Y58-F69 HydrophobicContact CE1-CE1 3.68Å; Y58-F69 HydrophobicContact CE1-CG 4.49Å; Y58-F69 AromaticContact CZ-CE1 3.87Å |
| 59 | S | 80.8 | Confident | 86.2 | Confident | 116 Ų | 116 | 49.2 Ų | 49.2 | 81% | 0.811 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -9.1 | -178.9 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | G57 | G57-S59 PolarHBondContact O-N 2.67Š|
| 60 | E | 82.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | trans | -97.2 | 147.8 | -176.1 | -63.3 | 178.6 | 167.8 | 0 | 0 | 109.8 | R42 V55 G57 | R42-E60 IonicContact CZ-OE1 2.65Å; R42-E60 IonicContact NE-OE1 3.82Å; V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG1-CB 3.66Å; G57-E60 PolarHBondContact O-N 3.06Å | ||
| 61 | T | 88.4 | Confident | 85.8 | Confident | 90 Ų | 90 | 59.2 Ų | 59.2 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | trans | -110.8 | 140.3 | 173.1 | 53 | 0 | 0 | 0 | 0 | 109.3 | V51 A63 | V51-T61 WeakPolarHBondContact CG1-O 3.25Å; T61-A63 PolarHBondContact O-N 2.89Å | ||
| 62 | C | 89.3 | Confident | 85.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | trans | -62.9 | 130.6 | -180 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | V51 V55 H64 C65 G66 M67 C72 H75 | V51-C62 PolarHBondContact O-SG 3.48Å; V55-C62 HydrophobicContact CG1-CB 4.33Å; V55-C62 VanDerWaalsContact CG1-N 3.35Å; C62-H64 PolarHBondContact O-N 3.23Å; C62-H64 PolarHBondContact SG-N 3.26Å; C62-C65 VanDerWaalsContact CB-SG 3.55Å; C62-G66 WeakPolarHBondContact O-CA 3.46Å; C62-G66 PolarHBondContact O-N 2.88Å; C62-M67 PolarHBondContact N-O 2.99Å; C62-C72 HydrophobicContact CB-CB 4.47Å; C62-H75 VanDerWaalsContact SG-CD2 3.59Å | ||
| 63 | A | 88.9 | Confident | 85.7 | Confident | 67 Ų | 67 | 60.4 Ų | 60.4 | 55% | 0.554 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -21 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V51 N52 T61 | V51-A63 HydrophobicContact CB-CB 4.35Å; V51-A63 HydrophobicContact CG1-CB 4.11Å; V51-A63 PolarHBondContact O-N 3.23Å; N52-A63 WeakPolarHBondContact OD1-CB 3.38Å; T61-A63 PolarHBondContact O-N 2.89Å |
| 64 | H | 90.1 | Very high | 85.7 | Confident | 102 Ų | 102 | 61 Ų | 61 | 47% | 0.472 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -55.8 | 179.9 | -173.1 | 63 | 0 | 0 | 0 | 113.2 | V27 C62 H75 | V27-H64 HydrophobicContact CG1-CB 3.98Å; V27-H64 VanDerWaalsContact CG1-ND1 3.32Å; V27-H64 WeakPolarHBondContact CG1-ND1 3.4Å; C62-H64 PolarHBondContact O-N 3.23Å; C62-H64 PolarHBondContact SG-N 3.26Å; H64-H75 AromaticContact CD2-CD2 3.62Å; H64-H75 AromaticContact CD2-CE1 3.64Å; H64-H75 AromaticContact CD2-CG 3.61Å; H64-H75 AromaticContact CD2-ND1 3.62Å; H64-H75 AromaticContact CD2-NE2 3.64Å |
| 65 | C | 90.8 | Very high | 86 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -12.4 | -177 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | C62 M67 C72 H75 | C62-C65 VanDerWaalsContact CB-SG 3.55Å; C65-M67 HydrophobicContact CB-CE 3.68Å; C65-M67 HydrophobicContact CB-CG 4.48Å; C65-M67 PolarHBondContact O-N 3.48Å; C65-M67 VanDerWaalsContact O-N 3.13Å; C65-C72 VanDerWaalsContact SG-SG 3.66Å; C65-H75 VanDerWaalsContact CB-NE2 3.34Å; C65-H75 WeakPolarHBondContact CB-NE2 3.42Å; C65-H75 PolarHBondContact SG-NE2 2.65Å |
| 66 | G | 89.2 | Confident | 86.4 | Confident | 54 Ų | 54 | 63.6 Ų | 63.6 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | trans | 70.6 | -1.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C62 | C62-G66 WeakPolarHBondContact O-CA 3.46Å; C62-G66 PolarHBondContact O-N 2.88Å | ||
| 67 | M | 88.4 | Confident | 87 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 38% | 0.384 | 36% | 0.363 | S | S | . | . | trans | -76.6 | 155.8 | 176.5 | -62.9 | -174.7 | -101.9 | 0 | 0 | 110.8 | C62 C65 D71 C72 | C62-M67 PolarHBondContact N-O 2.99Å; C65-M67 HydrophobicContact CB-CE 3.68Å; C65-M67 HydrophobicContact CB-CG 4.48Å; C65-M67 PolarHBondContact O-N 3.48Å; C65-M67 VanDerWaalsContact O-N 3.13Å; M67-D71 HydrophobicContact CB-CB 4.22Å; M67-D71 HydrophobicContact SD-CB 4.16Å; M67-C72 HydrophobicContact CB-CB 4.06Å | ||
| 68 | D | 86.4 | Confident | 87.9 | Confident | 62 Ų | 62 | 61 Ų | 61 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | trans | -76.5 | -177.1 | 175.4 | 68.6 | 16.5 | 0 | 0 | 0 | 111.8 | T70 D71 C72 | D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 PolarHBondContact O-N 3.44Å; D68-T70 PolarHBondContact OD1-N 2.86Å; D68-T70 PolarHBondContact OD1-OG1 3.38Å; D68-T70 PolarHBondContact OD2-OG1 2.99Å; D68-D71 PolarHBondContact OD1-N 2.86Å; D68-C72 WeakPolarHBondContact O-CB 3.45Å; D68-C72 PolarHBondContact O-N 3.18Å | ||
| 69 | F | 82.9 | Confident | 88.6 | Confident | 33 Ų | 33 | 52.1 Ų | 52.1 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -30.4 | 178.9 | 175.3 | -93.1 | 0 | 0 | 0 | 114.3 | V55 I56 Y58 W325 | V55-F69 VanDerWaalsContact CG2-CA 3.46Å; V55-F69 HydrophobicContact CG2-CB 3.84Å; V55-F69 HydrophobicContact CG2-CD2 4.36Å; I56-F69 WeakPolarHBondContact O-CE2 3.3Å; Y58-F69 AromaticContact CD1-CD1 3.75Å; Y58-F69 HydrophobicContact CD1-CD1 3.75Å; Y58-F69 HydrophobicContact CD1-CE1 4.3Å; Y58-F69 HydrophobicContact CD1-CG 4.33Å; Y58-F69 AromaticContact CE1-CD1 3.54Å; Y58-F69 HydrophobicContact CE1-CD1 3.54Å; Y58-F69 AromaticContact CE1-CE1 3.68Å; Y58-F69 HydrophobicContact CE1-CE1 3.68Å; Y58-F69 HydrophobicContact CE1-CG 4.49Å; Y58-F69 AromaticContact CZ-CE1 3.87Å; F69-W325 HydrophobicContact CD2-CZ2 4.34Å; F69-W325 HydrophobicContact CE1-CH2 4.16Å; F69-W325 HydrophobicContact CE1-CZ2 4.22Å; F69-W325 AromaticContact CE2-CE2 3.83Å; F69-W325 AromaticContact CE2-CH2 3.99Å; F69-W325 HydrophobicContact CE2-CH2 3.99Å; F69-W325 AromaticContact CE2-CZ2 3.28Å; F69-W325 HydrophobicContact CE2-CZ2 3.28Å; F69-W325 AromaticContact CZ-CH2 3.4Å; F69-W325 HydrophobicContact CZ-CH2 3.4Å; F69-W325 AromaticContact CZ-CZ2 3.21Å; F69-W325 HydrophobicContact CZ-CZ2 3.21Å; F69-W325 HydrophobicContact CZ-CZ3 4.3Å |
| 70 | T | 83.3 | Confident | 89.2 | Confident | 99 Ų | 99 | 49.8 Ų | 49.8 | 61% | 0.607 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -36.8 | -175.9 | 37.9 | 0 | 0 | 0 | 0 | 113.2 | D68 | D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 PolarHBondContact O-N 3.44Å; D68-T70 PolarHBondContact OD1-N 2.86Å; D68-T70 PolarHBondContact OD1-OG1 3.38Å; D68-T70 PolarHBondContact OD2-OG1 2.99Å |
| 71 | D | 86.1 | Confident | 89.6 | Confident | 115 Ų | 115 | 48.3 Ų | 48.3 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -18.6 | -173.7 | -67.9 | -28.4 | 0 | 0 | 0 | 113.2 | M67 D68 P73 | M67-D71 HydrophobicContact CB-CB 4.22Å; M67-D71 HydrophobicContact SD-CB 4.16Å; D68-D71 PolarHBondContact OD1-N 2.86Å; D71-P73 WeakPolarHBondContact O-CD 3.37Å |
| 72 | C | 88.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | trans | -65.9 | 121.2 | 178.9 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | C62 C65 M67 D68 G74 | C62-C72 HydrophobicContact CB-CB 4.47Å; C65-C72 VanDerWaalsContact SG-SG 3.66Å; M67-C72 HydrophobicContact CB-CB 4.06Å; D68-C72 WeakPolarHBondContact O-CB 3.45Å; D68-C72 PolarHBondContact O-N 3.18Å; C72-G74 PolarHBondContact O-N 3.34Å; C72-G74 PolarHBondContact SG-N 2.77Å | ||
| 73 | P | 88.6 | Confident | 89.6 | Confident | 81 Ų | 81 | 49 Ų | 49 | 53% | 0.526 | 29% | 0.291 | S | S | . | . | trans | -71.3 | -15.8 | 178.1 | 29.6 | -35.5 | 0 | 0 | 0 | 113.2 | D71 | D71-P73 WeakPolarHBondContact O-CD 3.37Š| ||
| 74 | G | 90.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | trans | 82.4 | 152.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C72 | C72-G74 PolarHBondContact O-N 3.34Å; C72-G74 PolarHBondContact SG-N 2.77Å | ||
| 75 | H | 93.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 41.6 Ų | 41.6 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | trans | -131.8 | 143.9 | -176 | -50.1 | -66.7 | 0 | 0 | 0 | 111.5 | V27 N52 F53 C62 H64 C65 | V27-H75 HydrophobicContact CB-CB 4.45Å; V27-H75 HydrophobicContact CG2-CB 3.63Å; N52-H75 PolarHBondContact O-CD2 2.96Å; F53-H75 WeakPolarHBondContact CA-O 3.49Å; F53-H75 PolarHBondContact O-N 2.96Å; F53-H75 VanDerWaalsContact O-N 3.09Å; C62-H75 VanDerWaalsContact SG-CD2 3.59Å; H64-H75 AromaticContact CD2-CD2 3.62Å; H64-H75 AromaticContact CD2-CE1 3.64Å; H64-H75 AromaticContact CD2-CG 3.61Å; H64-H75 AromaticContact CD2-ND1 3.62Å; H64-H75 AromaticContact CD2-NE2 3.64Å; C65-H75 VanDerWaalsContact CB-NE2 3.34Å; C65-H75 WeakPolarHBondContact CB-NE2 3.42Å; C65-H75 PolarHBondContact SG-NE2 2.65Å | ||
| 76 | C | 93.1 | Very high | 89.9 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | trans | -77.7 | 144.6 | -176.8 | -61.5 | 0 | 0 | 0 | 0 | 112 | S26 V27 L317 L318 | S26-C76 WeakPolarHBondContact CA-O 3.47Å; V27-C76 PolarHBondContact N-O 2.95Å; C76-L317 HydrophobicContact CB-CD1 3.87Å; C76-L317 HydrophobicContact CB-CD2 4.48Å; C76-L317 HydrophobicContact CB-CG 4.17Å; C76-L318 WeakPolarHBondContact CA-O 3.36Å | ||
| 77 | G | 92.7 | Very high | 90 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -177.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S26 R28 L317 L318 | S26-G77 VanDerWaalsContact OG-CA 3.3Å; S26-G77 WeakPolarHBondContact OG-CA 3.38Å; R28-G77 WeakPolarHBondContact O-CA 3.42Å; G77-L317 WeakPolarHBondContact O-CD1 3.49Å; G77-L318 PolarHBondContact N-O 3.45Å; G77-L318 VanDerWaalsContact N-O 3.1Å; G77-L318 PolarHBondContact O-N 3.06Å |
| 78 | H | 94.5 | Very high | 89.9 | Confident | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.6 | 165.7 | 74.2 | -78.1 | 0 | 0 | 0 | 112.1 | V22 S26 R28 V30 V316 | V22-H78 HydrophobicContact CG1-CB 3.91Å; S26-H78 WeakPolarHBondContact CB-ND1 3.48Å; S26-H78 PolarHBondContact OG-N 3.37Å; S26-H78 PolarHBondContact OG-ND1 3.47Å; R28-H78 PolarHBondContact O-N 2.95Å; V30-H78 PolarHBondContact N-O 2.97Å; H78-V316 CarbonylContact C-O 3.49Å; H78-V316 VanDerWaalsContact CA-O 3.29Å; H78-V316 WeakPolarHBondContact CA-O 3.46Å |
| 79 | I | 93.6 | Very high | 90 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.8 | 171.1 | -58.4 | 165.3 | 0 | 0 | 0 | 106.8 | V30 F81 N315 V316 Y342 V346 | V30-I79 HydrophobicContact CB-CG1 4.14Å; V30-I79 HydrophobicContact CG2-CG1 4.15Å; I79-F81 HydrophobicContact CG2-CD1 4.41Å; I79-F81 HydrophobicContact CG2-CE1 3.93Å; I79-N315 CarbonylContact O-C 3.59Å; I79-N315 WeakPolarHBondContact O-CA 3.26Å; I79-N315 WeakPolarHBondContact O-CB 3.38Å; I79-V316 PolarHBondContact N-O 3.19Å; I79-V316 PolarHBondContact O-N 3Å; I79-Y342 HydrophobicContact CD1-CD1 3.8Å; I79-Y342 HydrophobicContact CD1-CE1 4.47Å; I79-V346 HydrophobicContact CD1-CG2 3.7Å; I79-V346 HydrophobicContact CG1-CG2 4.09Å; I79-V346 HydrophobicContact CG2-CG2 4.39Å |
| 80 | E | 92.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.8 | -178.5 | -170.6 | 167 | -139.3 | 0 | 0 | 110.7 | R23 K29 | R23-E80 IonicContact CZ-OE1 2.78Å; R23-E80 IonicContact NE-OE1 3.3Å; R23-E80 IonicContact NH2-OE1 3.8Å; R23-E80 PolarHBondContact NH2-OE1 3.39Å; R23-E80 VanDerWaalsContact NH2-OE1 3.09Å; K29-E80 HydrophobicContact CD-CB 4.35Å; K29-E80 WeakPolarHBondContact CE-OE2 3.33Å; K29-E80 IonicContact NZ-OE2 2.73Å; K29-E80 PolarHBondContact NZ-OE2 2.95Å |
| 81 | F | 92.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 7% | 0.066 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.4 | 178.8 | -54.1 | -44.8 | 0 | 0 | 0 | 111.3 | I79 K83 V85 D314 V316 I345 A349 L403 V407 | I79-F81 HydrophobicContact CG2-CD1 4.41Å; I79-F81 HydrophobicContact CG2-CE1 3.93Å; F81-K83 VanDerWaalsContact C-N 3.31Å; F81-K83 WeakPolarHBondContact CB-O 3.47Å; F81-V85 HydrophobicContact CD2-CG2 3.36Å; F81-V85 HydrophobicContact CE2-CG2 3.51Å; F81-V85 HydrophobicContact CG-CG2 4.15Å; F81-V85 HydrophobicContact CZ-CG2 4.42Å; F81-D314 WeakPolarHBondContact CB-O 3.21Å; F81-D314 PolarHBondContact N-O 3.48Å; F81-V316 HydrophobicContact CE2-CG2 3.57Å; F81-V316 HydrophobicContact CZ-CB 4.2Å; F81-V316 HydrophobicContact CZ-CG2 3.47Å; F81-V316 VanDerWaalsContact CZ-CG2 3.47Å; F81-I345 HydrophobicContact CE1-CG2 3.65Å; F81-I345 HydrophobicContact CZ-CG2 3.92Å; F81-A349 HydrophobicContact CD1-CB 3.93Å; F81-A349 HydrophobicContact CE1-CB 4.21Å; F81-L403 HydrophobicContact CD1-CD1 4.33Å; F81-L403 HydrophobicContact CD1-CD2 4.14Å; F81-L403 HydrophobicContact CE1-CD1 4.07Å; F81-L403 HydrophobicContact CG-CD2 4.4Å; F81-V407 HydrophobicContact CE2-CG2 4.23Å; F81-V407 HydrophobicContact CZ-CG2 3.78Å |
| 82 | S | 89 | Confident | 90.6 | Very high | 48 Ų | 48 | 23.6 Ų | 23.6 | 34% | 0.336 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -19.9 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 113.7 | H353 | S82-H353 WeakPolarHBondContact OG-CB 3.46Å; S82-H353 PolarHBondContact OG-ND1 2.88Å |
| 83 | K | 88.7 | Confident | 90.4 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 25% | 0.252 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.9 | 176 | -67.8 | -67.5 | -169.7 | 170.6 | 0 | 109.2 | F81 E273 L352 V356 | F81-K83 VanDerWaalsContact C-N 3.31Å; F81-K83 WeakPolarHBondContact CB-O 3.47Å; K83-E273 WeakPolarHBondContact CD-OE2 3.44Å; K83-E273 IonicContact NZ-OE1 3.38Å; K83-E273 PolarHBondContact NZ-OE1 3.05Å; K83-E273 IonicContact NZ-OE2 3.71Å; K83-E273 PolarHBondContact NZ-OE2 2.77Å; K83-L352 HydrophobicContact CB-CD2 4.19Å; K83-V356 HydrophobicContact CG-CG2 4.34Å |
| 84 | P | 90.7 | Very high | 90.5 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 8% | 0.078 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.4 | -179 | 28.8 | -35.2 | 0 | 0 | 0 | 112.1 | P272 E273 R276 | P84-P272 WeakPolarHBondContact O-CB 3.21Å; P84-P272 WeakPolarHBondContact O-CG 3.15Å; P84-E273 HydrophobicContact CG-CB 3.93Å; P84-E273 HydrophobicContact CG-CG 4.49Å; P84-R276 VanDerWaalsContact CB-CZ 3.44Å |
| 85 | V | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 153.5 | 173.6 | -103.4 | 0 | 0 | 0 | 0 | 109.7 | F81 F312 M313 L403 Q404 V407 | F81-V85 HydrophobicContact CD2-CG2 3.36Å; F81-V85 HydrophobicContact CE2-CG2 3.51Å; F81-V85 HydrophobicContact CG-CG2 4.15Å; F81-V85 HydrophobicContact CZ-CG2 4.42Å; V85-F312 CarbonylContact O-C 3.55Å; V85-F312 VanDerWaalsContact O-CA 3.26Å; V85-F312 WeakPolarHBondContact O-CA 3.5Å; V85-M313 PolarHBondContact N-O 3.38Å; V85-M313 VanDerWaalsContact N-O 3.14Å; V85-M313 PolarHBondContact O-N 3.13Å; V85-L403 HydrophobicContact CG1-CD2 4.38Å; V85-L403 HydrophobicContact CG1-CG 4.26Å; V85-Q404 HydrophobicContact CG1-CB 4.07Å; V85-V407 HydrophobicContact CG2-CG2 4.44Å |
| 86 | F | 92.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 140.6 | 175.5 | -57.5 | -63.7 | 0 | 0 | 0 | 110.8 | P88 F91 L94 L182 P272 I275 F312 Q404 | F86-P88 VanDerWaalsContact O-CD 3.28Å; F86-P88 WeakPolarHBondContact O-CD 2.9Å; F86-F91 HydrophobicContact CB-CD2 3.95Å; F86-F91 HydrophobicContact CB-CE2 4.36Å; F86-F91 HydrophobicContact CD2-CD2 4.4Å; F86-F91 AromaticContact CD2-CE2 3.96Å; F86-F91 HydrophobicContact CD2-CE2 3.96Å; F86-F91 HydrophobicContact CE2-CE2 4.38Å; F86-F91 HydrophobicContact CG-CD2 4.13Å; F86-F91 HydrophobicContact CG-CE2 4.07Å; F86-L94 HydrophobicContact CD1-CD2 3.46Å; F86-L94 VanDerWaalsContact CD1-CD2 3.46Å; F86-L94 HydrophobicContact CE1-CD2 3.91Å; F86-L94 HydrophobicContact CG-CD2 4.29Å; F86-L182 HydrophobicContact CE1-CD1 4.29Å; F86-L182 HydrophobicContact CZ-CD1 4.1Å; F86-P272 HydrophobicContact CD1-CB 4.09Å; F86-P272 HydrophobicContact CD2-CB 4.45Å; F86-P272 HydrophobicContact CD2-CG 4.07Å; F86-P272 HydrophobicContact CE1-CB 3.72Å; F86-P272 HydrophobicContact CE1-CG 4.21Å; F86-P272 HydrophobicContact CE2-CB 4.11Å; F86-P272 HydrophobicContact CE2-CG 3.66Å; F86-P272 HydrophobicContact CG-CB 4.45Å; F86-P272 HydrophobicContact CZ-CB 3.72Å; F86-P272 HydrophobicContact CZ-CG 3.73Å; F86-I275 HydrophobicContact CE1-CB 4.47Å; F86-I275 HydrophobicContact CE1-CD1 4.05Å; F86-I275 HydrophobicContact CZ-CD1 3.86Å; F86-F312 AromaticContact CD1-CD1 3.98Å; F86-F312 HydrophobicContact CD1-CD1 3.98Å; F86-F312 AromaticContact CD1-CE1 3.69Å; F86-F312 HydrophobicContact CD1-CE1 3.69Å; F86-F312 HydrophobicContact CE1-CD1 4.38Å; F86-F312 AromaticContact CE1-CE1 3.7Å; F86-F312 HydrophobicContact CE1-CE1 3.7Å; F86-Q404 PolarHBondContact O-NE2 3.25Å |
| 87 | N | 91 | Very high | 89.6 | Confident | 21 Ų | 21 | 19.4 Ų | 19.4 | 11% | 0.112 | 10% | 0.097 | C | C | . | . | trans | -72.9 | 112.8 | 169.2 | -177.6 | -14.7 | 0 | 0 | 0 | 109.5 | F89 M90 F91 V310 F311 M313 | N87-F89 PolarHBondContact O-N 3.02Å; N87-F89 WeakPolarHBondContact OD1-CB 3.21Å; N87-F89 PolarHBondContact OD1-N 3.08Å; N87-F89 VanDerWaalsContact OD1-N 3.1Å; N87-M90 PolarHBondContact O-N 2.93Å; N87-F91 PolarHBondContact O-N 2.88Å; N87-F91 VanDerWaalsContact O-N 3.13Å; N87-V310 PolarHBondContact ND2-O 3.38Å; N87-F311 WeakPolarHBondContact CB-O 3.48Å; N87-F311 PolarHBondContact N-O 3.35Å; N87-M313 HydrophobicContact CB-CG 4.05Å; N87-M313 HydrophobicContact CB-SD 4.35Å | ||
| 88 | P | 88.3 | Confident | 89.3 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 6% | 0.058 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -30.1 | -175.7 | 23 | -32.7 | 0 | 0 | 0 | 113 | F86 Y411 M415 | F86-P88 VanDerWaalsContact O-CD 3.28Å; F86-P88 WeakPolarHBondContact O-CD 2.9Å; P88-Y411 HydrophobicContact CB-CD1 4.14Å; P88-Y411 HydrophobicContact CB-CG 4.4Å; P88-Y411 HydrophobicContact CG-CG 4.47Å; P88-M415 HydrophobicContact CB-CE 3.92Å |
| 89 | F | 87.9 | Confident | 88.7 | Confident | 23 Ų | 23 | 22 Ų | 22 | 10% | 0.101 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -41.8 | -177.2 | -170 | -106.4 | 0 | 0 | 0 | 112.5 | N87 Y411 A1731 L1734 K1735 L1738 | N87-F89 PolarHBondContact O-N 3.02Å; N87-F89 WeakPolarHBondContact OD1-CB 3.21Å; N87-F89 PolarHBondContact OD1-N 3.08Å; N87-F89 VanDerWaalsContact OD1-N 3.1Å; F89-Y411 HydrophobicContact CD2-CD2 4.1Å; F89-Y411 AromaticContact CD2-CE2 3.48Å; F89-Y411 HydrophobicContact CD2-CE2 3.48Å; F89-Y411 VanDerWaalsContact CD2-CE2 3.48Å; F89-Y411 AromaticContact CD2-CZ 3.86Å; F89-Y411 HydrophobicContact CE2-CE2 4.03Å; F89-A1731 HydrophobicContact CE2-CB 4.5Å; F89-L1734 HydrophobicContact CE2-CD2 4.5Å; F89-L1734 HydrophobicContact CZ-CB 4.19Å; F89-L1734 HydrophobicContact CZ-CD2 4.16Å; F89-L1734 HydrophobicContact CZ-CG 3.98Å; F89-K1735 HydrophobicContact CE1-CB 3.83Å; F89-K1735 HydrophobicContact CE1-CG 4.19Å; F89-K1735 HydrophobicContact CE2-CB 4.31Å; F89-K1735 HydrophobicContact CZ-CB 3.58Å; F89-K1735 HydrophobicContact CZ-CG 4.37Å; F89-K1735 WeakPolarHBondContact O-CE 3.5Å; F89-K1735 PolarHBondContact O-NZ 2.89Å; F89-L1738 HydrophobicContact CD1-CD1 4.3Å; F89-L1738 HydrophobicContact CE1-CD1 3.46Å; F89-L1738 VanDerWaalsContact CE1-CD1 3.46Å; F89-L1738 HydrophobicContact CZ-CD1 4.1Å |
| 90 | M | 88.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5.7 | -177.9 | -71.2 | -57.6 | 176.7 | 0 | 0 | 114.5 | F16 N87 D92 V93 L94 M296 F311 K1735 L1738 Q1739 | F16-M90 HydrophobicContact CE1-CE 4.39Å; F16-M90 HydrophobicContact CE1-CG 4.09Å; F16-M90 HydrophobicContact CE2-CE 4.26Å; F16-M90 HydrophobicContact CZ-CE 3.48Å; F16-M90 VanDerWaalsContact CZ-CE 3.48Å; F16-M90 HydrophobicContact CZ-CG 3.71Å; F16-M90 HydrophobicContact CZ-SD 4.35Å; N87-M90 PolarHBondContact O-N 2.93Å; M90-D92 VanDerWaalsContact C-N 3.27Å; M90-D92 PolarHBondContact O-N 3.44Å; M90-V93 PolarHBondContact O-N 3.46Å; M90-V93 HydrophobicContact SD-CG2 4.01Å; M90-L94 PolarHBondContact O-N 3.43Å; M90-M296 HydrophobicContact CE-SD 4.47Å; M90-F311 HydrophobicContact CB-CD1 3.78Å; M90-F311 HydrophobicContact CB-CE1 4.08Å; M90-K1735 HydrophobicContact CE-CG 3.96Å; M90-K1735 HydrophobicContact SD-CG 4.08Å; M90-L1738 HydrophobicContact CE-CB 3.79Å; M90-L1738 HydrophobicContact CE-CD1 4.44Å; M90-Q1739 HydrophobicContact CE-CG 4.17Å |
| 91 | F | 89.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.1 | -38.8 | -178.4 | -172.6 | -89.6 | 0 | 0 | 0 | 113.7 | F86 N87 V93 L94 Y95 H176 K179 L182 | F86-F91 HydrophobicContact CB-CD2 3.95Å; F86-F91 HydrophobicContact CB-CE2 4.36Å; F86-F91 HydrophobicContact CD2-CD2 4.4Å; F86-F91 AromaticContact CD2-CE2 3.96Å; F86-F91 HydrophobicContact CD2-CE2 3.96Å; F86-F91 HydrophobicContact CE2-CE2 4.38Å; F86-F91 HydrophobicContact CG-CD2 4.13Å; F86-F91 HydrophobicContact CG-CE2 4.07Å; N87-F91 PolarHBondContact O-N 2.88Å; N87-F91 VanDerWaalsContact O-N 3.13Å; F91-V93 VanDerWaalsContact C-N 3.3Å; F91-V93 PolarHBondContact O-N 3.29Å; F91-L94 HydrophobicContact CD2-CD2 4.32Å; F91-L94 WeakPolarHBondContact O-CB 3.31Å; F91-L94 PolarHBondContact O-N 3.06Å; F91-Y95 VanDerWaalsContact O-CB 3.29Å; F91-Y95 WeakPolarHBondContact O-CB 3.5Å; F91-Y95 PolarHBondContact O-N 2.82Å; F91-H176 HydrophobicContact CE1-CB 3.94Å; F91-H176 AromaticContact CE1-CG 3.98Å; F91-H176 HydrophobicContact CZ-CB 4Å; F91-K179 HydrophobicContact CD1-CB 3.58Å; F91-K179 HydrophobicContact CD1-CD 3.84Å; F91-K179 HydrophobicContact CD1-CG 3.62Å; F91-K179 HydrophobicContact CD2-CB 4.44Å; F91-K179 HydrophobicContact CE1-CB 3.64Å; F91-K179 HydrophobicContact CE1-CD 4.47Å; F91-K179 HydrophobicContact CE1-CG 3.76Å; F91-K179 HydrophobicContact CE2-CB 4.49Å; F91-K179 HydrophobicContact CG-CB 4Å; F91-K179 HydrophobicContact CG-CD 4.46Å; F91-K179 HydrophobicContact CG-CG 4.43Å; F91-K179 HydrophobicContact CZ-CB 4.11Å; F91-L182 HydrophobicContact CE1-CD2 4.37Å; F91-L182 HydrophobicContact CE2-CD1 4.44Å; F91-L182 HydrophobicContact CE2-CD2 4.45Å; F91-L182 HydrophobicContact CE2-CG 4.3Å; F91-L182 HydrophobicContact CZ-CD1 4.42Å; F91-L182 HydrophobicContact CZ-CD2 3.68Å; F91-L182 HydrophobicContact CZ-CG 3.96Å |
| 92 | D | 85.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 18.2 Ų | 18.2 | 26% | 0.257 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -67.3 | -32.5 | -179.9 | -53.8 | -38.9 | 0 | 0 | 0 | 112.6 | M90 K96 K179 K1735 | M90-D92 VanDerWaalsContact C-N 3.27Å; M90-D92 PolarHBondContact O-N 3.44Å; D92-K96 WeakPolarHBondContact O-CG 3.41Å; D92-K96 PolarHBondContact O-N 2.96Å; D92-K96 VanDerWaalsContact O-N 3.13Å; D92-K179 WeakPolarHBondContact OD1-CE 3.4Å; D92-K179 IonicContact OD1-NZ 2.69Å; D92-K179 PolarHBondContact OD1-NZ 3.44Å; D92-K179 IonicContact OD2-NZ 3.9Å; D92-K179 PolarHBondContact OD2-NZ 3.3Å; D92-K1735 IonicContact OD2-NZ 3.06Å; D92-K1735 PolarHBondContact OD2-NZ 3.26Å |
| 93 | V | 85.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 16.5 Ų | 16.5 | 4% | 0.036 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -73.3 | -47 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | M90 F91 Y95 K96 I97 F294 M296 F311 | M90-V93 PolarHBondContact O-N 3.46Å; M90-V93 HydrophobicContact SD-CG2 4.01Å; F91-V93 VanDerWaalsContact C-N 3.3Å; F91-V93 PolarHBondContact O-N 3.29Å; V93-Y95 VanDerWaalsContact C-N 3.27Å; V93-Y95 PolarHBondContact O-N 2.88Å; V93-K96 WeakPolarHBondContact O-CB 3.48Å; V93-K96 PolarHBondContact O-N 2.94Å; V93-K96 VanDerWaalsContact O-N 3.09Å; V93-I97 HydrophobicContact CG1-CD1 3.96Å; V93-I97 HydrophobicContact CG1-CG1 4.49Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.77Å; V93-F294 HydrophobicContact CG1-CD1 4.15Å; V93-F294 HydrophobicContact CG1-CE1 3.61Å; V93-F294 HydrophobicContact CG1-CZ 3.83Å; V93-M296 HydrophobicContact CG1-CE 4.35Å; V93-F311 HydrophobicContact CB-CE1 3.94Å; V93-F311 HydrophobicContact CG1-CE1 3.82Å; V93-F311 HydrophobicContact CG1-CZ 3.98Å |
| 94 | L | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -50.3 | -49.9 | 171.7 | 169.8 | 65.7 | 0 | 0 | 0 | 110.7 | F86 M90 F91 K96 I97 V98 I275 L279 F311 F312 | F86-L94 HydrophobicContact CD1-CD2 3.46Å; F86-L94 VanDerWaalsContact CD1-CD2 3.46Å; F86-L94 HydrophobicContact CE1-CD2 3.91Å; F86-L94 HydrophobicContact CG-CD2 4.29Å; M90-L94 PolarHBondContact O-N 3.43Å; F91-L94 HydrophobicContact CD2-CD2 4.32Å; F91-L94 WeakPolarHBondContact O-CB 3.31Å; F91-L94 PolarHBondContact O-N 3.06Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.5Å; L94-I97 PolarHBondContact O-N 3.11Å; L94-V98 HydrophobicContact CD1-CG2 3.94Å; L94-V98 HydrophobicContact CG-CG2 4.44Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.47Å; L94-V98 PolarHBondContact O-N 3.12Å; L94-I275 HydrophobicContact CD1-CG2 4.26Å; L94-L279 HydrophobicContact CD1-CD1 3.4Å; L94-F311 HydrophobicContact CB-CB 4.24Å; L94-F311 HydrophobicContact CB-CD1 3.95Å; L94-F311 HydrophobicContact CB-CG 4.12Å; L94-F311 HydrophobicContact CD1-CB 4.01Å; L94-F311 HydrophobicContact CD1-CD2 4.47Å; L94-F311 HydrophobicContact CD1-CG 4.22Å; L94-F311 HydrophobicContact CD2-CB 4.4Å; L94-F311 HydrophobicContact CG-CB 4.45Å; L94-F312 HydrophobicContact CD1-CZ 4.37Å |
| 95 | Y | 87.7 | Confident | 85.5 | Confident | 39 Ų | 39 | 15.4 Ų | 15.4 | 15% | 0.153 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 179.1 | -178.5 | -109.6 | 0 | 0 | 0 | 113.1 | F91 V93 K99 L174 H176 L182 | F91-Y95 VanDerWaalsContact O-CB 3.29Å; F91-Y95 WeakPolarHBondContact O-CB 3.5Å; F91-Y95 PolarHBondContact O-N 2.82Å; V93-Y95 VanDerWaalsContact C-N 3.27Å; V93-Y95 PolarHBondContact O-N 2.88Å; Y95-K99 HydrophobicContact CE1-CD 4.19Å; Y95-K99 WeakPolarHBondContact O-CG 3.23Å; Y95-K99 PolarHBondContact O-N 3.37Å; Y95-K99 WeakPolarHBondContact OH-CE 3.35Å; Y95-K99 PolarHBondContact OH-NZ 2.99Å; Y95-L174 HydrophobicContact CD2-CD2 3.64Å; Y95-L174 HydrophobicContact CD2-CG 4.07Å; Y95-L174 HydrophobicContact CE2-CD2 3.67Å; Y95-L174 HydrophobicContact CE2-CG 3.61Å; Y95-L174 PolarHBondContact OH-O 2.88Å; Y95-H176 HydrophobicContact CD2-CB 4.44Å; Y95-H176 HydrophobicContact CE2-CB 4.16Å; Y95-H176 AromaticContact CE2-CD2 3.84Å; Y95-H176 AromaticContact CZ-CD2 3.89Å; Y95-L182 HydrophobicContact CD2-CD2 3.55Å; Y95-L182 HydrophobicContact CE2-CD2 3.97Å |
| 96 | K | 84.4 | Confident | 85.1 | Confident | 35 Ų | 35 | 15.5 Ų | 15.5 | 15% | 0.152 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 174.4 | -74.4 | 176.7 | -178 | -175.5 | 0 | 111.7 | D92 V93 L94 K99 S100 I153 W1476 | D92-K96 WeakPolarHBondContact O-CG 3.41Å; D92-K96 PolarHBondContact O-N 2.96Å; D92-K96 VanDerWaalsContact O-N 3.13Å; V93-K96 WeakPolarHBondContact O-CB 3.48Å; V93-K96 PolarHBondContact O-N 2.94Å; V93-K96 VanDerWaalsContact O-N 3.09Å; L94-K96 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.5Å; K96-K99 PolarHBondContact O-N 3.48Å; K96-S100 PolarHBondContact O-N 3.43Å; K96-I153 HydrophobicContact CD-CG2 4.24Å; K96-W1476 VanDerWaalsContact NZ-CE2 3.3Å |
| 97 | I | 86.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 178.5 | -63.7 | 168.1 | 0 | 0 | 0 | 110.6 | V93 L94 K99 S100 F101 L279 L282 F294 F311 | V93-I97 HydrophobicContact CG1-CD1 3.96Å; V93-I97 HydrophobicContact CG1-CG1 4.49Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 2.77Å; L94-I97 PolarHBondContact O-N 3.11Å; I97-K99 PolarHBondContact O-N 2.88Å; I97-S100 PolarHBondContact O-N 3.32Å; I97-S100 PolarHBondContact O-OG 3.4Å; I97-F101 VanDerWaalsContact O-CD1 3.26Å; I97-F101 WeakPolarHBondContact O-CD1 3.21Å; I97-L279 HydrophobicContact CG2-CD2 3.66Å; I97-L282 HydrophobicContact CG2-CD2 3.71Å; I97-F294 HydrophobicContact CD1-CD2 4.31Å; I97-F294 HydrophobicContact CD1-CE2 3.85Å; I97-F294 HydrophobicContact CD1-CZ 4.33Å; I97-F294 HydrophobicContact CG1-CE2 3.9Å; I97-F294 HydrophobicContact CG1-CZ 4.25Å; I97-F311 HydrophobicContact CD1-CE1 4.44Å; I97-F311 HydrophobicContact CD1-CE2 3.71Å; I97-F311 HydrophobicContact CD1-CZ 3.5Å |
| 98 | V | 86.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.012 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.6 | -25.3 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | L94 F101 F103 L174 F184 I275 | L94-V98 HydrophobicContact CD1-CG2 3.94Å; L94-V98 HydrophobicContact CG-CG2 4.44Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.47Å; L94-V98 PolarHBondContact O-N 3.12Å; V98-F101 HydrophobicContact CB-CE1 4.45Å; V98-F101 HydrophobicContact CG2-CE1 4.44Å; V98-F103 HydrophobicContact CG1-CE1 4.15Å; V98-F103 HydrophobicContact CG1-CZ 3.97Å; V98-L174 HydrophobicContact CB-CD2 3.91Å; V98-L174 HydrophobicContact CG1-CD2 3.66Å; V98-F184 HydrophobicContact CG1-CE1 3.95Å; V98-F184 HydrophobicContact CG1-CZ 3.92Å; V98-I275 HydrophobicContact CG2-CG2 3.81Å |
| 99 | K | 82.6 | Confident | 83.7 | Confident | 72 Ų | 72 | 17.7 Ų | 17.7 | 31% | 0.313 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -76 | -21.6 | 172.3 | -77.6 | -175 | 175.9 | 178.1 | 0 | 114.5 | Y95 K96 I97 L174 | Y95-K99 HydrophobicContact CE1-CD 4.19Å; Y95-K99 WeakPolarHBondContact O-CG 3.23Å; Y95-K99 PolarHBondContact O-N 3.37Å; Y95-K99 WeakPolarHBondContact OH-CE 3.35Å; Y95-K99 PolarHBondContact OH-NZ 2.99Å; K96-K99 PolarHBondContact O-N 3.48Å; I97-K99 PolarHBondContact O-N 2.88Å; K99-L174 WeakPolarHBondContact CE-O 3.46Å; K99-L174 HydrophobicContact CG-CB 4.12Å; K99-L174 HydrophobicContact CG-CD2 3.81Å |
| 100 | S | 80.6 | Confident | 83 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -94.6 | -11.3 | -165.6 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | K96 I97 L108 Y109 L156 | K96-S100 PolarHBondContact O-N 3.43Å; I97-S100 PolarHBondContact O-N 3.32Å; I97-S100 PolarHBondContact O-OG 3.4Å; S100-L108 CarbonylContact O-C 3.51Å; S100-L108 WeakPolarHBondContact O-CA 3.3Å; S100-L108 VanDerWaalsContact OG-CD2 3.25Å; S100-L108 WeakPolarHBondContact OG-CD2 3.38Å; S100-Y109 VanDerWaalsContact O-CD2 3.22Å; S100-Y109 WeakPolarHBondContact O-CD2 3.25Å; S100-Y109 PolarHBondContact O-N 2.81Å; S100-L156 WeakPolarHBondContact CB-O 3.26Å |
| 101 | F | 84.1 | Confident | 82.3 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -115.4 | 160.3 | 179.5 | 75.7 | -94.3 | 0 | 0 | 0 | 113.3 | I97 V98 F103 F106 R107 L108 Y109 M278 L279 L282 | I97-F101 VanDerWaalsContact O-CD1 3.26Å; I97-F101 WeakPolarHBondContact O-CD1 3.21Å; V98-F101 HydrophobicContact CB-CE1 4.45Å; V98-F101 HydrophobicContact CG2-CE1 4.44Å; F101-F103 HydrophobicContact CD2-CD1 4.3Å; F101-F103 HydrophobicContact CD2-CE1 4.39Å; F101-F103 HydrophobicContact CE1-CE1 4.38Å; F101-F103 AromaticContact CE2-CD1 3.52Å; F101-F103 HydrophobicContact CE2-CD1 3.52Å; F101-F103 AromaticContact CE2-CE1 3.59Å; F101-F103 HydrophobicContact CE2-CE1 3.59Å; F101-F103 AromaticContact CZ-CD1 3.97Å; F101-F103 HydrophobicContact CZ-CD1 3.97Å; F101-F103 AromaticContact CZ-CE1 3.58Å; F101-F103 HydrophobicContact CZ-CE1 3.58Å; F101-F106 HydrophobicContact CD2-CD1 4.37Å; F101-F106 AromaticContact CE2-CD1 3.93Å; F101-F106 HydrophobicContact CE2-CD1 3.93Å; F101-F106 HydrophobicContact CE2-CE1 4.42Å; F101-R107 CarbonylContact C-O 3.54Å; F101-R107 VanDerWaalsContact CA-O 3.28Å; F101-R107 WeakPolarHBondContact CA-O 3.43Å; F101-R107 WeakPolarHBondContact CB-O 3.43Å; F101-L108 HydrophobicContact CB-CD2 4.42Å; F101-Y109 WeakPolarHBondContact O-CE2 3.45Å; F101-M278 HydrophobicContact CE2-CB 4.38Å; F101-M278 HydrophobicContact CZ-CB 4.01Å; F101-L279 HydrophobicContact CE1-CD2 4Å; F101-L282 HydrophobicContact CB-CD1 3.65Å; F101-L282 HydrophobicContact CB-CD2 4.28Å; F101-L282 HydrophobicContact CD1-CD1 4.43Å; F101-L282 HydrophobicContact CD1-CD2 3.62Å; F101-L282 HydrophobicContact CD1-CG 4.47Å; F101-L282 HydrophobicContact CE1-CD2 4.14Å; F101-L282 HydrophobicContact CG-CD1 4.04Å; F101-L282 HydrophobicContact CG-CD2 4.09Å |
| 102 | C | 82.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -87.8 | 126.6 | 178.2 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | G104 F106 R107 Y109 C164 S169 | C102-G104 PolarHBondContact O-N 2.73Å; C102-G104 PolarHBondContact SG-N 3.39Å; C102-G104 VanDerWaalsContact SG-N 3.43Å; C102-F106 VanDerWaalsContact O-CA 3.24Å; C102-F106 WeakPolarHBondContact O-CA 3.35Å; C102-F106 PolarHBondContact O-N 3.46Å; C102-R107 PolarHBondContact N-O 2.99Å; C102-Y109 HydrophobicContact CB-CE1 4.02Å; C102-C164 HydrophobicContact CB-CB 4.15Å; C102-C164 WeakPolarHBondContact SG-CB 3.2Å; C102-C164 VanDerWaalsContact SG-SG 3.63Å; C102-S169 PolarHBondContact SG-OG 2.97Å | ||
| 103 | F | 78.6 | Confident | 81.4 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 6% | 0.057 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.1 | 177.5 | -58.7 | -56.8 | 0 | 0 | 0 | 114.7 | V98 F101 F106 W172 F184 M278 | V98-F103 HydrophobicContact CG1-CE1 4.15Å; V98-F103 HydrophobicContact CG1-CZ 3.97Å; F101-F103 HydrophobicContact CD2-CD1 4.3Å; F101-F103 HydrophobicContact CD2-CE1 4.39Å; F101-F103 HydrophobicContact CE1-CE1 4.38Å; F101-F103 AromaticContact CE2-CD1 3.52Å; F101-F103 HydrophobicContact CE2-CD1 3.52Å; F101-F103 AromaticContact CE2-CE1 3.59Å; F101-F103 HydrophobicContact CE2-CE1 3.59Å; F101-F103 AromaticContact CZ-CD1 3.97Å; F101-F103 HydrophobicContact CZ-CD1 3.97Å; F101-F103 AromaticContact CZ-CE1 3.58Å; F101-F103 HydrophobicContact CZ-CE1 3.58Å; F103-F106 WeakPolarHBondContact O-CZ 3.49Å; F103-W172 HydrophobicContact CD2-CB 3.78Å; F103-W172 AromaticContact CD2-CD1 3.63Å; F103-W172 AromaticContact CD2-CG 3.75Å; F103-W172 HydrophobicContact CD2-CG 3.75Å; F103-W172 HydrophobicContact CE2-CB 3.69Å; F103-W172 HydrophobicContact CE2-CG 4.17Å; F103-F184 HydrophobicContact CE1-CE1 4.21Å; F103-F184 HydrophobicContact CE2-CD1 4Å; F103-F184 AromaticContact CE2-CE1 3.93Å; F103-F184 HydrophobicContact CE2-CE1 3.93Å; F103-F184 HydrophobicContact CZ-CD1 4.09Å; F103-F184 AromaticContact CZ-CE1 3.52Å; F103-F184 HydrophobicContact CZ-CE1 3.52Å; F103-M278 HydrophobicContact CD1-CE 4.45Å; F103-M278 HydrophobicContact CD1-SD 3.87Å; F103-M278 HydrophobicContact CE1-SD 4.06Å |
| 104 | G | 75.3 | Confident | 81.2 | Confident | 25 Ų | 25 | 24 Ų | 24 | 26% | 0.258 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -52.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C102 | C102-G104 PolarHBondContact O-N 2.73Å; C102-G104 PolarHBondContact SG-N 3.39Å; C102-G104 VanDerWaalsContact SG-N 3.43Å |
| 105 | C | 78.9 | Confident | 80.9 | Confident | 21 Ų | 21 | 24 Ų | 24 | 14% | 0.142 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -3 | -176.5 | 65.3 | 0 | 0 | 0 | 0 | 115.6 | R107 C167 | C105-R107 PolarHBondContact O-N 3.44Å; C105-C167 HydrophobicContact CB-CB 3.77Å |
| 106 | F | 82.1 | Confident | 80.8 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | trans | 53.3 | 35.9 | -178.6 | -57.2 | -75.5 | 0 | 0 | 0 | 114.6 | F101 C102 F103 L248 A251 M278 C281 L282 | F101-F106 HydrophobicContact CD2-CD1 4.37Å; F101-F106 AromaticContact CE2-CD1 3.93Å; F101-F106 HydrophobicContact CE2-CD1 3.93Å; F101-F106 HydrophobicContact CE2-CE1 4.42Å; C102-F106 VanDerWaalsContact O-CA 3.24Å; C102-F106 WeakPolarHBondContact O-CA 3.35Å; C102-F106 PolarHBondContact O-N 3.46Å; F103-F106 WeakPolarHBondContact O-CZ 3.49Å; F106-L248 HydrophobicContact CD2-CD1 3.73Å; F106-L248 HydrophobicContact CE2-CD1 3.66Å; F106-A251 HydrophobicContact CZ-CB 4Å; F106-M278 HydrophobicContact CE1-CB 4.13Å; F106-M278 HydrophobicContact CE1-CG 3.99Å; F106-C281 HydrophobicContact CB-CB 3.96Å; F106-C281 HydrophobicContact CD1-CB 3.91Å; F106-C281 HydrophobicContact CD2-CB 4.1Å; F106-C281 HydrophobicContact CE1-CB 4.47Å; F106-C281 HydrophobicContact CG-CB 3.71Å; F106-L282 WeakPolarHBondContact O-CD1 3.28Å | ||
| 107 | R | 80.8 | Confident | 80.7 | Confident | 48 Ų | 48 | 20.4 Ų | 20.4 | 18% | 0.181 | 11% | 0.107 | C | C | . | . | trans | -120.1 | 153.8 | 174.2 | -67.3 | -172 | -178.5 | -146.2 | 5.5 | 112.2 | F101 C102 C105 L166 H285 D286 | F101-R107 CarbonylContact C-O 3.54Å; F101-R107 VanDerWaalsContact CA-O 3.28Å; F101-R107 WeakPolarHBondContact CA-O 3.43Å; F101-R107 WeakPolarHBondContact CB-O 3.43Å; C102-R107 PolarHBondContact N-O 2.99Å; C105-R107 PolarHBondContact O-N 3.44Å; R107-L166 HydrophobicContact CB-CD1 3.87Å; R107-H285 HydrophobicContact CG-CB 4.1Å; R107-D286 VanDerWaalsContact CA-OD2 3.3Å; R107-D286 WeakPolarHBondContact CA-OD2 3Å | ||
| 108 | L | 82.7 | Confident | 80.6 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -59.4 | 141.4 | 175.1 | -67.1 | 175.3 | 0 | 0 | 0 | 111.3 | S100 F101 P129 L156 L282 D286 L289 | S100-L108 CarbonylContact O-C 3.51Å; S100-L108 WeakPolarHBondContact O-CA 3.3Å; S100-L108 VanDerWaalsContact OG-CD2 3.25Å; S100-L108 WeakPolarHBondContact OG-CD2 3.38Å; F101-L108 HydrophobicContact CB-CD2 4.42Å; L108-P129 HydrophobicContact CB-CB 4.49Å; L108-L156 HydrophobicContact CD1-CD1 4.37Å; L108-L156 HydrophobicContact CD2-CD1 4.15Å; L108-L282 HydrophobicContact CD2-CD1 4.43Å; L108-L282 HydrophobicContact CG-CD1 4.44Å; L108-D286 HydrophobicContact CD1-CB 4.21Å; L108-D286 HydrophobicContact CG-CB 4.26Å; L108-D286 PolarHBondContact N-OD2 2.91Å; L108-L289 HydrophobicContact CD1-CB 4.43Å; L108-L289 HydrophobicContact CD1-CD1 4.12Å |
| 109 | Y | 79.2 | Confident | 80.6 | Confident | 24 Ų | 24 | 25.2 Ų | 25.2 | 9% | 0.094 | 13% | 0.126 | C | C | . | . | trans | -63.8 | 146.1 | 175.5 | -77.1 | -61.1 | 0 | 0 | 0 | 111.5 | S100 F101 C102 A111 P160 C164 | S100-Y109 VanDerWaalsContact O-CD2 3.22Å; S100-Y109 WeakPolarHBondContact O-CD2 3.25Å; S100-Y109 PolarHBondContact O-N 2.81Å; F101-Y109 WeakPolarHBondContact O-CE2 3.45Å; C102-Y109 HydrophobicContact CB-CE1 4.02Å; Y109-A111 PolarHBondContact O-N 3.38Å; Y109-P160 HydrophobicContact CD1-CG 3.59Å; Y109-P160 HydrophobicContact CD2-CG 4.03Å; Y109-P160 HydrophobicContact CE1-CG 4.09Å; Y109-P160 HydrophobicContact CE2-CG 4.49Å; Y109-P160 HydrophobicContact CG-CG 3.57Å; Y109-C164 HydrophobicContact CE1-CB 4.18Å | ||
| 110 | S | 72 | Confident | 80.7 | Confident | 47 Ų | 47 | 24.5 Ų | 24.5 | 33% | 0.329 | 13% | 0.125 | S | C | . | . | trans | -78.1 | 115.8 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | P129 | S110-P129 CarbonylContact C-O 3.58Å; S110-P129 WeakPolarHBondContact CA-O 3.26Å; S110-P129 VanDerWaalsContact CB-O 3.24Å; S110-P129 WeakPolarHBondContact CB-O 3.1Å; S110-P129 PolarHBondContact OG-O 3.33Å | ||
| 111 | A | 74.6 | Confident | 80.8 | Confident | 22 Ų | 22 | 25.8 Ų | 25.8 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | trans | -133.3 | 124.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y109 L114 A115 P129 | Y109-A111 PolarHBondContact O-N 3.38Å; A111-L114 HydrophobicContact CB-CB 3.82Å; A111-L114 HydrophobicContact CB-CD2 4.47Å; A111-L114 PolarHBondContact O-N 2.66Å; A111-A115 PolarHBondContact O-N 3.35Å; A111-P129 PolarHBondContact N-O 2.76Å; A111-P129 VanDerWaalsContact N-O 3.09Å | ||
| 112 | E | 76.3 | Confident | 80.8 | Confident | 73 Ų | 73 | 28.5 Ų | 28.5 | 34% | 0.341 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.7 | -45.1 | -173.6 | -63.5 | 171.7 | 155.9 | 0 | 0 | 111.6 | L114 A115 S116 K133 | E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.32Å; E112-A115 WeakPolarHBondContact O-CB 3.46Å; E112-A115 PolarHBondContact O-N 2.84Å; E112-A115 VanDerWaalsContact O-N 3.09Å; E112-S116 PolarHBondContact O-N 2.7Å; E112-S116 PolarHBondContact O-OG 3.23Å; E112-K133 WeakPolarHBondContact OE2-CE 3.49Å; E112-K133 IonicContact OE2-NZ 3.61Å; E112-K133 PolarHBondContact OE2-NZ 3.1Å |
| 113 | Y | 79.6 | Confident | 80.7 | Confident | 64 Ų | 64 | 28.7 Ų | 28.7 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.4 | -35.3 | 178 | -149.8 | -92.1 | 0 | 0 | 0 | 112.8 | S116 A117 E136 L140 V151 N155 | Y113-S116 PolarHBondContact O-N 2.75Å; Y113-A117 PolarHBondContact O-N 2.85Å; Y113-A117 VanDerWaalsContact O-N 3.09Å; Y113-E136 WeakPolarHBondContact CA-OE2 3.5Å; Y113-E136 HydrophobicContact CD2-CB 4.12Å; Y113-E136 HydrophobicContact CD2-CG 3.75Å; Y113-E136 HydrophobicContact CE2-CB 4.17Å; Y113-E136 HydrophobicContact CE2-CG 3.99Å; Y113-E136 PolarHBondContact N-OE2 3.24Å; Y113-L140 HydrophobicContact CE1-CD1 4.25Å; Y113-L140 HydrophobicContact CE1-CD2 4.06Å; Y113-V151 HydrophobicContact CD1-CG1 4.03Å; Y113-V151 HydrophobicContact CE1-CG1 3.57Å; Y113-N155 WeakPolarHBondContact CD1-ND2 3.43Å |
| 114 | L | 82.6 | Confident | 80.8 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 172.7 | 176.6 | 63.8 | 0 | 0 | 0 | 111 | A111 E112 A117 L118 P129 A152 N155 L156 L293 | A111-L114 HydrophobicContact CB-CB 3.82Å; A111-L114 HydrophobicContact CB-CD2 4.47Å; A111-L114 PolarHBondContact O-N 2.66Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.32Å; L114-A117 PolarHBondContact O-N 3.17Å; L114-L118 HydrophobicContact CD1-CD1 3.94Å; L114-L118 HydrophobicContact CD1-CG 4.11Å; L114-L118 HydrophobicContact CD2-CD1 4.46Å; L114-L118 HydrophobicContact CG-CD1 3.8Å; L114-L118 HydrophobicContact CG-CG 4.38Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.88Å; L114-P129 HydrophobicContact CD2-CG 3.88Å; L114-P129 HydrophobicContact CG-CG 4.08Å; L114-A152 HydrophobicContact CD1-CB 3.88Å; L114-A152 WeakPolarHBondContact CD1-O 3.21Å; L114-N155 HydrophobicContact CB-CB 4.22Å; L114-L156 HydrophobicContact CD1-CD1 4.37Å; L114-L156 HydrophobicContact CD2-CD1 3.9Å; L114-L293 HydrophobicContact CD1-CD2 4.43Å |
| 115 | A | 82.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A111 E112 L118 Y119 L128 L132 | A111-A115 PolarHBondContact O-N 3.35Å; E112-A115 WeakPolarHBondContact O-CB 3.46Å; E112-A115 PolarHBondContact O-N 2.84Å; E112-A115 VanDerWaalsContact O-N 3.09Å; A115-L118 PolarHBondContact O-N 3.47Å; A115-Y119 WeakPolarHBondContact O-CB 3.37Å; A115-Y119 PolarHBondContact O-N 3.17Å; A115-L128 HydrophobicContact CB-CB 4.22Å; A115-L132 WeakPolarHBondContact O-CD2 3.42Å |
| 116 | S | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | E112 Y113 L120 E136 | E112-S116 PolarHBondContact O-N 2.7Å; E112-S116 PolarHBondContact O-OG 3.23Å; Y113-S116 PolarHBondContact O-N 2.75Å; S116-L120 PolarHBondContact O-N 2.75Å; S116-E136 PolarHBondContact OG-OE2 3.05Å; S116-E136 VanDerWaalsContact OG-OE2 3.09Å |
| 117 | A | 83.7 | Confident | 80 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y113 L114 Y119 L120 L121 L140 A152 | Y113-A117 PolarHBondContact O-N 2.85Å; Y113-A117 VanDerWaalsContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 3.17Å; A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 2.75Å; A117-L120 PolarHBondContact O-N 3.36Å; A117-L121 WeakPolarHBondContact O-CG 3.47Å; A117-L121 PolarHBondContact O-N 3.43Å; A117-L140 HydrophobicContact CB-CD1 4.09Å; A117-A152 HydrophobicContact CB-CB 3.97Å |
| 118 | L | 83.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -35.8 | 177.6 | -76.1 | 170.2 | 0 | 0 | 0 | 112.5 | L114 A115 L121 G122 A123 L128 P129 L289 L293 | L114-L118 HydrophobicContact CD1-CD1 3.94Å; L114-L118 HydrophobicContact CD1-CG 4.11Å; L114-L118 HydrophobicContact CD2-CD1 4.46Å; L114-L118 HydrophobicContact CG-CD1 3.8Å; L114-L118 HydrophobicContact CG-CG 4.38Å; L114-L118 WeakPolarHBondContact O-CB 3.46Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 2.88Å; A115-L118 PolarHBondContact O-N 3.47Å; L118-L121 CarbonylContact O-C 3.58Å; L118-L121 PolarHBondContact O-N 3.14Å; L118-G122 PolarHBondContact O-N 2.69Å; L118-A123 HydrophobicContact CB-CB 4.05Å; L118-A123 WeakPolarHBondContact O-CB 3.5Å; L118-A123 PolarHBondContact O-N 2.92Å; L118-L128 HydrophobicContact CB-CD2 3.69Å; L118-P129 HydrophobicContact CD1-CG 3.75Å; L118-L289 HydrophobicContact CD1-CD2 4.27Å; L118-L293 HydrophobicContact CD2-CD1 4.34Å; L118-L293 HydrophobicContact CD2-CD2 3.67Å; L118-L293 HydrophobicContact CD2-CG 3.78Å |
| 119 | Y | 86.6 | Confident | 79.4 | Confident | 104 Ų | 104 | 38.3 Ų | 38.3 | 41% | 0.408 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.8 | -44 | 174.9 | 175.9 | -105.9 | 0 | 0 | 0 | 112 | A115 A117 L121 G122 V125 L128 L132 I137 | A115-Y119 WeakPolarHBondContact O-CB 3.37Å; A115-Y119 PolarHBondContact O-N 3.17Å; A117-Y119 VanDerWaalsContact C-N 3.3Å; A117-Y119 PolarHBondContact O-N 2.75Å; Y119-L121 VanDerWaalsContact C-N 3.28Å; Y119-L121 PolarHBondContact O-N 3.34Å; Y119-G122 PolarHBondContact O-N 2.91Å; Y119-V125 HydrophobicContact CD2-CG2 4.03Å; Y119-V125 HydrophobicContact CE2-CG2 3.72Å; Y119-L128 HydrophobicContact CD2-CD1 4.39Å; Y119-L132 HydrophobicContact CD1-CD1 4.46Å; Y119-L132 HydrophobicContact CD1-CD2 4.37Å; Y119-L132 HydrophobicContact CD2-CD1 3.97Å; Y119-L132 HydrophobicContact CE2-CD1 4.3Å; Y119-L132 HydrophobicContact CG-CD1 4.06Å; Y119-L132 HydrophobicContact CG-CD2 3.98Å; Y119-I137 HydrophobicContact CD1-CD1 4.18Å; Y119-I137 HydrophobicContact CE1-CD1 4.35Å |
| 120 | L | 84.8 | Confident | 79.3 | Confident | 58 Ų | 58 | 38.2 Ų | 38.2 | 30% | 0.304 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.6 | -27.6 | 174.7 | -70.3 | 174.1 | 0 | 0 | 0 | 113.1 | S116 A117 G122 I137 L140 E141 L148 | S116-L120 PolarHBondContact O-N 2.75Å; A117-L120 PolarHBondContact O-N 3.36Å; L120-G122 PolarHBondContact O-N 3.1Å; L120-I137 HydrophobicContact CD2-CG2 4.26Å; L120-L140 HydrophobicContact CD1-CB 3.39Å; L120-L140 HydrophobicContact CD1-CD1 4.47Å; L120-E141 HydrophobicContact CD2-CG 4.49Å; L120-L148 HydrophobicContact CB-CD1 3.92Å; L120-L148 HydrophobicContact CB-CD2 4.31Å; L120-L148 HydrophobicContact CD1-CD2 3.99Å |
| 121 | L | 82.7 | Confident | 79.5 | Confident | 31 Ų | 31 | 44 Ų | 44 | 16% | 0.162 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.1 | 171.4 | -69.7 | 171.2 | 0 | 0 | 0 | 113.7 | A117 L118 Y119 G145 L148 R149 A152 | A117-L121 WeakPolarHBondContact O-CG 3.47Å; A117-L121 PolarHBondContact O-N 3.43Å; L118-L121 CarbonylContact O-C 3.58Å; L118-L121 PolarHBondContact O-N 3.14Å; Y119-L121 VanDerWaalsContact C-N 3.28Å; Y119-L121 PolarHBondContact O-N 3.34Å; L121-G145 WeakPolarHBondContact CD2-O 3.48Å; L121-L148 HydrophobicContact CD1-CB 4.44Å; L121-L148 HydrophobicContact CD2-CB 3.72Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 HydrophobicContact CG-CB 4Å; L121-R149 HydrophobicContact CD1-CG 3.86Å; L121-R149 HydrophobicContact CD2-CG 3.93Å; L121-A152 HydrophobicContact CD1-CB 4.42Å |
| 122 | G | 83.3 | Confident | 79.7 | Confident | 58 Ų | 58 | 45.8 Ų | 45.8 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | 14.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L118 Y119 L120 | L118-G122 PolarHBondContact O-N 2.69Å; Y119-G122 PolarHBondContact O-N 2.91Å; L120-G122 PolarHBondContact O-N 3.1Å |
| 123 | A | 80.1 | Confident | 79.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 26% | 0.261 | C | S | . | . | trans | -70.1 | 137.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L118 L128 L289 L292 | L118-A123 HydrophobicContact CB-CB 4.05Å; L118-A123 WeakPolarHBondContact O-CB 3.5Å; L118-A123 PolarHBondContact O-N 2.92Å; A123-L128 HydrophobicContact CB-CD2 3.74Å; A123-L289 HydrophobicContact CB-CD2 3.9Å; A123-L292 HydrophobicContact CB-CD1 3.57Å | ||
| 124 | P | 79.9 | Confident | 79.9 | Confident | 71 Ų | 71 | 48.5 Ų | 48.5 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | trans | -67.8 | 137.3 | 178.1 | 26.9 | -32.6 | 0 | 0 | 0 | 111.1 | G126 K127 | P124-G126 PolarHBondContact O-N 3.46Å; P124-K127 HydrophobicContact CG-CB 4.15Å; P124-K127 HydrophobicContact CG-CD 3.92Å; P124-K127 HydrophobicContact CG-CG 4.07Å; P124-K127 PolarHBondContact O-N 3.02Å | ||
| 125 | V | 77.9 | Confident | 79.9 | Confident | 94 Ų | 94 | 54 Ų | 54 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -52.8 | -36.1 | -173.3 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | Y119 K127 L128 L132 | Y119-V125 HydrophobicContact CD2-CG2 4.03Å; Y119-V125 HydrophobicContact CE2-CG2 3.72Å; V125-K127 VanDerWaalsContact C-N 3.29Å; V125-K127 PolarHBondContact O-N 3.46Å; V125-L128 PolarHBondContact O-N 3.47Å; V125-L132 HydrophobicContact CG1-CD1 4.32Å |
| 126 | G | 69.7 | Low | 79.8 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.2 | -20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P124 | P124-G126 PolarHBondContact O-N 3.46Š|
| 127 | K | 73.6 | Confident | 79.6 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -100.6 | -2.7 | -177.9 | -66.3 | -173 | 175 | 175.5 | 0 | 113.5 | P124 V125 D288 L289 | P124-K127 HydrophobicContact CG-CB 4.15Å; P124-K127 HydrophobicContact CG-CD 3.92Å; P124-K127 HydrophobicContact CG-CG 4.07Å; P124-K127 PolarHBondContact O-N 3.02Å; V125-K127 VanDerWaalsContact C-N 3.29Å; V125-K127 PolarHBondContact O-N 3.46Å; K127-D288 IonicContact NZ-OD2 3.41Å; K127-D288 PolarHBondContact NZ-OD2 3.16Å; K127-L289 WeakPolarHBondContact O-CD1 3.38Å |
| 128 | L | 77.6 | Confident | 79.6 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 35% | 0.351 | C | S | . | . | trans | -68.5 | 143 | -173.5 | -68.5 | 171.5 | 0 | 0 | 0 | 113.3 | A115 L118 Y119 A123 V125 G130 L132 | A115-L128 HydrophobicContact CB-CB 4.22Å; L118-L128 HydrophobicContact CB-CD2 3.69Å; Y119-L128 HydrophobicContact CD2-CD1 4.39Å; A123-L128 HydrophobicContact CB-CD2 3.74Å; V125-L128 PolarHBondContact O-N 3.47Å; L128-G130 PolarHBondContact O-N 2.95Å; L128-L132 HydrophobicContact CD1-CD1 3.9Å; L128-L132 HydrophobicContact CD1-CD2 3.8Å; L128-L132 HydrophobicContact CD1-CG 3.87Å | ||
| 129 | P | 72.5 | Confident | 79.5 | Confident | 16 Ų | 16 | 66 Ų | 66 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -77.8 | 32.2 | 178.3 | 33 | -35.3 | 0 | 0 | 0 | 112.9 | L108 S110 A111 L114 L118 | L108-P129 HydrophobicContact CB-CB 4.49Å; S110-P129 CarbonylContact C-O 3.58Å; S110-P129 WeakPolarHBondContact CA-O 3.26Å; S110-P129 VanDerWaalsContact CB-O 3.24Å; S110-P129 WeakPolarHBondContact CB-O 3.1Å; S110-P129 PolarHBondContact OG-O 3.33Å; A111-P129 PolarHBondContact N-O 2.76Å; A111-P129 VanDerWaalsContact N-O 3.09Å; L114-P129 HydrophobicContact CD2-CG 3.88Å; L114-P129 HydrophobicContact CG-CG 4.08Å; L118-P129 HydrophobicContact CD1-CG 3.75Å |
| 130 | G | 76 | Confident | 79.2 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 171.7 | 178.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L128 | L128-G130 PolarHBondContact O-N 2.95Š|
| 131 | K | 76.8 | Confident | 78.9 | Confident | 169 Ų | 169 | 64.2 Ų | 64.2 | 74% | 0.735 | 36% | 0.358 | S | S | * | . | trans | -86 | 137.8 | 172.3 | -65.3 | -175.6 | -179.8 | -177.2 | 0 | 109.2 | ||||
| 132 | L | 79.3 | Confident | 78.4 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | trans | -73.8 | 134.6 | 175.3 | -69.6 | 170.2 | 0 | 0 | 0 | 110.8 | A115 Y119 V125 L128 I137 | A115-L132 WeakPolarHBondContact O-CD2 3.42Å; Y119-L132 HydrophobicContact CD1-CD1 4.46Å; Y119-L132 HydrophobicContact CD1-CD2 4.37Å; Y119-L132 HydrophobicContact CD2-CD1 3.97Å; Y119-L132 HydrophobicContact CE2-CD1 4.3Å; Y119-L132 HydrophobicContact CG-CD1 4.06Å; Y119-L132 HydrophobicContact CG-CD2 3.98Å; V125-L132 HydrophobicContact CG1-CD1 4.32Å; L128-L132 HydrophobicContact CD1-CD1 3.9Å; L128-L132 HydrophobicContact CD1-CD2 3.8Å; L128-L132 HydrophobicContact CD1-CG 3.87Å; L132-I137 HydrophobicContact CB-CD1 4.42Å; L132-I137 HydrophobicContact CD2-CD1 4.36Å | ||
| 133 | K | 80.3 | Confident | 77.9 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 38% | 0.383 | 38% | 0.378 | S | S | . | . | trans | -113.1 | 126.1 | 172.1 | -78.1 | 179.5 | 176.6 | 169.2 | 0 | 110.6 | E112 L135 E136 I137 | E112-K133 WeakPolarHBondContact OE2-CE 3.49Å; E112-K133 IonicContact OE2-NZ 3.61Å; E112-K133 PolarHBondContact OE2-NZ 3.1Å; K133-L135 VanDerWaalsContact C-N 3.26Å; K133-L135 PolarHBondContact O-N 3.18Å; K133-E136 HydrophobicContact CB-CB 4.36Å; K133-E136 HydrophobicContact CB-CG 4.05Å; K133-E136 HydrophobicContact CD-CG 4.43Å; K133-E136 WeakPolarHBondContact CD-OE1 3.43Å; K133-E136 IonicContact NZ-OE1 3.01Å; K133-E136 PolarHBondContact O-N 2.93Å; K133-I137 PolarHBondContact O-N 3.38Å | ||
| 134 | T | 79.9 | Confident | 77.5 | Confident | 106 Ų | 106 | 69.5 Ų | 69.5 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61 | -32.6 | -177.8 | -39.4 | 0 | 0 | 0 | 0 | 113.4 | K138 | T134-K138 WeakPolarHBondContact O-CG 3.15Å; T134-K138 PolarHBondContact O-N 3.19Å |
| 135 | L | 82.9 | Confident | 77.2 | Confident | 119 Ų | 119 | 68 Ų | 68 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 178.2 | -166.3 | 96.2 | 0 | 0 | 0 | 111.7 | K133 K138 E139 | K133-L135 VanDerWaalsContact C-N 3.26Å; K133-L135 PolarHBondContact O-N 3.18Å; L135-K138 PolarHBondContact O-N 3.45Å; L135-E139 WeakPolarHBondContact CD2-OE1 3.41Å; L135-E139 WeakPolarHBondContact O-CG 3.29Å; L135-E139 PolarHBondContact O-N 3.41Å |
| 136 | E | 80.1 | Confident | 76.8 | Confident | 24 Ų | 24 | 66.7 Ų | 66.7 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.6 | -35.8 | -177.3 | -62.8 | 174 | 177.7 | 0 | 0 | 111.3 | Y113 S116 K133 E139 L140 | Y113-E136 WeakPolarHBondContact CA-OE2 3.5Å; Y113-E136 HydrophobicContact CD2-CB 4.12Å; Y113-E136 HydrophobicContact CD2-CG 3.75Å; Y113-E136 HydrophobicContact CE2-CB 4.17Å; Y113-E136 HydrophobicContact CE2-CG 3.99Å; Y113-E136 PolarHBondContact N-OE2 3.24Å; S116-E136 PolarHBondContact OG-OE2 3.05Å; S116-E136 VanDerWaalsContact OG-OE2 3.09Å; K133-E136 HydrophobicContact CB-CB 4.36Å; K133-E136 HydrophobicContact CB-CG 4.05Å; K133-E136 HydrophobicContact CD-CG 4.43Å; K133-E136 WeakPolarHBondContact CD-OE1 3.43Å; K133-E136 IonicContact NZ-OE1 3.01Å; K133-E136 PolarHBondContact O-N 2.93Å; E136-E139 PolarHBondContact O-N 3.38Å; E136-L140 WeakPolarHBondContact O-CG 3.42Å; E136-L140 PolarHBondContact O-N 3.36Å; E136-L140 VanDerWaalsContact O-N 3.17Å |
| 137 | I | 80.6 | Confident | 77.1 | Confident | 23 Ų | 23 | 67.1 Ų | 67.1 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.3 | -64.4 | 170.6 | 0 | 0 | 0 | 110.1 | Y119 L120 L132 K133 E139 L140 E141 | Y119-I137 HydrophobicContact CD1-CD1 4.18Å; Y119-I137 HydrophobicContact CE1-CD1 4.35Å; L120-I137 HydrophobicContact CD2-CG2 4.26Å; L132-I137 HydrophobicContact CB-CD1 4.42Å; L132-I137 HydrophobicContact CD2-CD1 4.36Å; K133-I137 PolarHBondContact O-N 3.38Å; I137-E139 PolarHBondContact O-N 3.43Å; I137-L140 PolarHBondContact O-N 2.83Å; I137-E141 HydrophobicContact CG2-CG 4.17Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.32Å; I137-E141 WeakPolarHBondContact O-CG 3.35Å; I137-E141 PolarHBondContact O-N 2.89Å |
| 138 | K | 83 | Confident | 77.4 | Confident | 148 Ų | 148 | 64.2 Ų | 64.2 | 64% | 0.643 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.6 | -28.4 | 177.1 | -73.9 | -177.7 | 177.3 | -172.1 | 0 | 113.8 | T134 L135 | T134-K138 WeakPolarHBondContact O-CG 3.15Å; T134-K138 PolarHBondContact O-N 3.19Å; L135-K138 PolarHBondContact O-N 3.45Å |
| 139 | E | 81.7 | Confident | 77.7 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.3 | -26.7 | 176.4 | -74.5 | 172.9 | -157.2 | 0 | 0 | 113.1 | L135 E136 I137 K1486 | L135-E139 WeakPolarHBondContact CD2-OE1 3.41Å; L135-E139 WeakPolarHBondContact O-CG 3.29Å; L135-E139 PolarHBondContact O-N 3.41Å; E136-E139 PolarHBondContact O-N 3.38Å; I137-E139 PolarHBondContact O-N 3.43Å; E139-K1486 WeakPolarHBondContact OE1-CE 3.45Å; E139-K1486 IonicContact OE1-NZ 3.67Å; E139-K1486 PolarHBondContact OE1-NZ 3.19Å; E139-K1486 IonicContact OE2-NZ 2.71Å; E139-K1486 PolarHBondContact OE2-NZ 2.73Å |
| 140 | L | 79.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -98.3 | -17 | -177.5 | -64.8 | 174.7 | 0 | 0 | 0 | 112.9 | Y113 A117 L120 E136 I137 G142 L143 L148 V151 | Y113-L140 HydrophobicContact CE1-CD1 4.25Å; Y113-L140 HydrophobicContact CE1-CD2 4.06Å; A117-L140 HydrophobicContact CB-CD1 4.09Å; L120-L140 HydrophobicContact CD1-CB 3.39Å; L120-L140 HydrophobicContact CD1-CD1 4.47Å; E136-L140 WeakPolarHBondContact O-CG 3.42Å; E136-L140 PolarHBondContact O-N 3.36Å; E136-L140 VanDerWaalsContact O-N 3.17Å; I137-L140 PolarHBondContact O-N 2.83Å; L140-G142 PolarHBondContact O-N 3.09Å; L140-L143 HydrophobicContact CD2-CD1 3.78Å; L140-L143 PolarHBondContact O-N 3.18Å; L140-L148 HydrophobicContact CB-CD2 3.94Å; L140-L148 HydrophobicContact CD2-CD2 4.44Å; L140-V151 HydrophobicContact CD2-CG1 3.99Å |
| 141 | E | 79.5 | Confident | 78 | Confident | 121 Ų | 121 | 69 Ų | 69 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 123.9 | 172.3 | -84 | 172.3 | -179.3 | 0 | 0 | 110.8 | L120 I137 | L120-E141 HydrophobicContact CD2-CG 4.49Å; I137-E141 HydrophobicContact CG2-CG 4.17Å; I137-E141 WeakPolarHBondContact CG2-OE1 3.32Å; I137-E141 WeakPolarHBondContact O-CG 3.35Å; I137-E141 PolarHBondContact O-N 2.89Å |
| 142 | G | 71.5 | Confident | 78.2 | Confident | 86 Ų | 86 | 61 Ų | 61 | 89% | 0.887 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.3 | -9.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L140 | L140-G142 PolarHBondContact O-N 3.09Š|
| 143 | L | 73.2 | Confident | 78.2 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | trans | -73.5 | 151.8 | 173.1 | -67.5 | 177.5 | 0 | 0 | 0 | 111.8 | L140 D147 L148 | L140-L143 HydrophobicContact CD2-CD1 3.78Å; L140-L143 PolarHBondContact O-N 3.18Å; L143-D147 HydrophobicContact CB-CB 4.06Å; L143-D147 HydrophobicContact CD2-CB 4.38Å; L143-L148 HydrophobicContact CB-CD2 4.1Å; L143-L148 HydrophobicContact CB-CG 4.03Å; L143-L148 HydrophobicContact CD1-CD2 4.28Å | ||
| 144 | S | 71 | Confident | 78.1 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -68.3 | 158.6 | 174.3 | 75.7 | 0 | 0 | 0 | 0 | 110.9 | D146 D147 L148 | S144-D146 PolarHBondContact O-N 2.92Å; S144-D147 WeakPolarHBondContact CB-OD2 3.39Å; S144-D147 PolarHBondContact N-OD2 2.83Å; S144-D147 PolarHBondContact O-N 3.49Å; S144-D147 PolarHBondContact OG-N 3.15Å; S144-D147 PolarHBondContact OG-OD2 2.98Å; S144-L148 WeakPolarHBondContact O-CG 3.48Å; S144-L148 PolarHBondContact O-N 2.91Å | ||
| 145 | G | 73.7 | Confident | 77.9 | Confident | 40 Ų | 40 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -56.8 | -31.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L121 R149 | L121-G145 WeakPolarHBondContact CD2-O 3.48Å; G145-R149 WeakPolarHBondContact O-CG 3.32Å; G145-R149 PolarHBondContact O-N 3.37Å; G145-R149 VanDerWaalsContact O-N 3.14Å |
| 146 | D | 70.7 | Confident | 77.4 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.6 | -39.8 | 177.9 | -72.7 | -19 | 0 | 0 | 0 | 112.2 | S144 L148 R149 Q150 | S144-D146 PolarHBondContact O-N 2.92Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.35Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 2.95Å; D146-R149 VanDerWaalsContact O-N 3.14Å; D146-R149 IonicContact OD1-NH1 2.74Å; D146-R149 PolarHBondContact OD1-NH1 3.34Å; D146-Q150 WeakPolarHBondContact O-CG 3.41Å; D146-Q150 PolarHBondContact O-N 2.86Å |
| 147 | D | 74.5 | Confident | 76.6 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 173.3 | -60.6 | -39.7 | 0 | 0 | 0 | 110.5 | L143 S144 R149 Q150 V151 | L143-D147 HydrophobicContact CB-CB 4.06Å; L143-D147 HydrophobicContact CD2-CB 4.38Å; S144-D147 WeakPolarHBondContact CB-OD2 3.39Å; S144-D147 PolarHBondContact N-OD2 2.83Å; S144-D147 PolarHBondContact O-N 3.49Å; S144-D147 PolarHBondContact OG-N 3.15Å; S144-D147 PolarHBondContact OG-OD2 2.98Å; D147-R149 VanDerWaalsContact C-N 3.31Å; D147-R149 PolarHBondContact O-N 3.35Å; D147-Q150 PolarHBondContact O-N 3.39Å; D147-V151 WeakPolarHBondContact O-CB 3.48Å; D147-V151 VanDerWaalsContact O-CG2 3.27Å; D147-V151 WeakPolarHBondContact O-CG2 3.22Å; D147-V151 PolarHBondContact O-N 2.89Å |
| 148 | L | 80.6 | Confident | 75.7 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 175.1 | -72.4 | 172.8 | 0 | 0 | 0 | 111.8 | L120 L121 L140 L143 S144 D146 A152 | L120-L148 HydrophobicContact CB-CD1 3.92Å; L120-L148 HydrophobicContact CB-CD2 4.31Å; L120-L148 HydrophobicContact CD1-CD2 3.99Å; L121-L148 HydrophobicContact CD1-CB 4.44Å; L121-L148 HydrophobicContact CD2-CB 3.72Å; L121-L148 HydrophobicContact CD2-CD1 4.33Å; L121-L148 HydrophobicContact CG-CB 4Å; L140-L148 HydrophobicContact CB-CD2 3.94Å; L140-L148 HydrophobicContact CD2-CD2 4.44Å; L143-L148 HydrophobicContact CB-CD2 4.1Å; L143-L148 HydrophobicContact CB-CG 4.03Å; L143-L148 HydrophobicContact CD1-CD2 4.28Å; S144-L148 WeakPolarHBondContact O-CG 3.48Å; S144-L148 PolarHBondContact O-N 2.91Å; D146-L148 VanDerWaalsContact C-N 3.3Å; D146-L148 PolarHBondContact O-N 3.35Å; L148-A152 VanDerWaalsContact O-CB 3.27Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 2.99Å |
| 149 | R | 83 | Confident | 74.7 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 174.6 | -74.8 | 173.9 | -175.9 | 150 | 0.3 | 112.2 | L121 G145 D146 D147 A152 I153 L292 | L121-R149 HydrophobicContact CD1-CG 3.86Å; L121-R149 HydrophobicContact CD2-CG 3.93Å; G145-R149 WeakPolarHBondContact O-CG 3.32Å; G145-R149 PolarHBondContact O-N 3.37Å; G145-R149 VanDerWaalsContact O-N 3.14Å; D146-R149 WeakPolarHBondContact O-CB 3.35Å; D146-R149 PolarHBondContact O-N 2.95Å; D146-R149 VanDerWaalsContact O-N 3.14Å; D146-R149 IonicContact OD1-NH1 2.74Å; D146-R149 PolarHBondContact OD1-NH1 3.34Å; D147-R149 VanDerWaalsContact C-N 3.31Å; D147-R149 PolarHBondContact O-N 3.35Å; R149-A152 CarbonylContact O-C 3.58Å; R149-A152 PolarHBondContact O-N 3.18Å; R149-I153 WeakPolarHBondContact O-CB 3.32Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 2.93Å; R149-L292 PolarHBondContact NE-O 3.47Å |
| 150 | Q | 76.2 | Confident | 73.7 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.9 | -72.4 | 178.6 | 3.3 | 0 | 0 | 111.1 | D146 D147 A152 I153 R154 E1478 | D146-Q150 WeakPolarHBondContact O-CG 3.41Å; D146-Q150 PolarHBondContact O-N 2.86Å; D147-Q150 PolarHBondContact O-N 3.39Å; Q150-A152 VanDerWaalsContact C-N 3.31Å; Q150-A152 PolarHBondContact O-N 3.06Å; Q150-I153 PolarHBondContact O-N 3.06Å; Q150-R154 WeakPolarHBondContact O-CB 3.34Å; Q150-R154 PolarHBondContact O-N 2.91Å; Q150-E1478 PolarHBondContact OE1-OE1 3.43Å |
| 151 | V | 80.3 | Confident | 72.9 | Confident | 22 Ų | 22 | 57.3 Ų | 57.3 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 172.7 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | Y113 L140 D147 R154 N155 | Y113-V151 HydrophobicContact CD1-CG1 4.03Å; Y113-V151 HydrophobicContact CE1-CG1 3.57Å; L140-V151 HydrophobicContact CD2-CG1 3.99Å; D147-V151 WeakPolarHBondContact O-CB 3.48Å; D147-V151 VanDerWaalsContact O-CG2 3.27Å; D147-V151 WeakPolarHBondContact O-CG2 3.22Å; D147-V151 PolarHBondContact O-N 2.89Å; V151-R154 PolarHBondContact O-N 3.24Å; V151-N155 PolarHBondContact O-N 3.02Å; V151-N155 PolarHBondContact O-ND2 2.87Å |
| 152 | A | 80.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -46.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L114 A117 L121 L148 R149 Q150 R154 N155 L156 L293 | L114-A152 HydrophobicContact CD1-CB 3.88Å; L114-A152 WeakPolarHBondContact CD1-O 3.21Å; A117-A152 HydrophobicContact CB-CB 3.97Å; L121-A152 HydrophobicContact CD1-CB 4.42Å; L148-A152 VanDerWaalsContact O-CB 3.27Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 2.99Å; R149-A152 CarbonylContact O-C 3.58Å; R149-A152 PolarHBondContact O-N 3.18Å; Q150-A152 VanDerWaalsContact C-N 3.31Å; Q150-A152 PolarHBondContact O-N 3.06Å; A152-R154 VanDerWaalsContact C-N 3.26Å; A152-R154 PolarHBondContact O-N 2.99Å; A152-N155 CarbonylContact O-C 3.58Å; A152-N155 PolarHBondContact O-N 3.48Å; A152-L156 WeakPolarHBondContact O-CB 3.35Å; A152-L156 PolarHBondContact O-N 3.34Å; A152-L293 HydrophobicContact CB-CD2 3.34Å |
| 153 | I | 79.2 | Confident | 72.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 176.8 | -70.1 | 165.1 | 0 | 0 | 0 | 111.3 | K96 R149 Q150 L156 A157 F294 | K96-I153 HydrophobicContact CD-CG2 4.24Å; R149-I153 WeakPolarHBondContact O-CB 3.32Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.48Å; R149-I153 PolarHBondContact O-N 2.93Å; Q150-I153 PolarHBondContact O-N 3.06Å; I153-L156 VanDerWaalsContact O-CB 3.25Å; I153-L156 WeakPolarHBondContact O-CB 3.21Å; I153-L156 PolarHBondContact O-N 2.91Å; I153-A157 PolarHBondContact O-N 3.38Å; I153-F294 HydrophobicContact CD1-CD1 4.38Å; I153-F294 HydrophobicContact CD1-CE1 3.82Å; I153-F294 HydrophobicContact CD1-CZ 4.42Å; I153-F294 HydrophobicContact CG1-CE1 4.02Å; I153-F294 HydrophobicContact CG1-CZ 4.1Å |
| 154 | R | 77.1 | Confident | 72.1 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 176.7 | -174.3 | 172.8 | 172 | -155.8 | 1.9 | 112.1 | Q150 V151 A152 L156 A157 N1477 E1478 | Q150-R154 WeakPolarHBondContact O-CB 3.34Å; Q150-R154 PolarHBondContact O-N 2.91Å; V151-R154 PolarHBondContact O-N 3.24Å; A152-R154 VanDerWaalsContact C-N 3.26Å; A152-R154 PolarHBondContact O-N 2.99Å; R154-L156 VanDerWaalsContact C-N 3.27Å; R154-L156 PolarHBondContact O-N 2.91Å; R154-A157 PolarHBondContact O-N 3.36Å; R154-N1477 VanDerWaalsContact CZ-OD1 3.23Å; R154-N1477 PolarHBondContact NE-OD1 3.4Å; R154-N1477 VanDerWaalsContact NH2-CG 3.28Å; R154-N1477 PolarHBondContact NH2-OD1 3.15Å; R154-E1478 PolarHBondContact NH1-O 3.43Å; R154-E1478 PolarHBondContact NH2-O 3.42Å |
| 155 | N | 76.3 | Confident | 72.2 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -74.1 | -17.6 | 174.5 | -74 | -75.6 | 0 | 0 | 0 | 113.1 | Y113 L114 V151 A152 A157 T158 | Y113-N155 WeakPolarHBondContact CD1-ND2 3.43Å; L114-N155 HydrophobicContact CB-CB 4.22Å; V151-N155 PolarHBondContact O-N 3.02Å; V151-N155 PolarHBondContact O-ND2 2.87Å; A152-N155 CarbonylContact O-C 3.58Å; A152-N155 PolarHBondContact O-N 3.48Å; N155-A157 PolarHBondContact O-N 3.3Å; N155-T158 PolarHBondContact O-OG1 3.48Å |
| 156 | L | 73.3 | Confident | 72 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 168.5 | -159.5 | 84 | 0 | 0 | 0 | 111.2 | S100 L108 L114 A152 I153 R154 L293 F294 | S100-L156 WeakPolarHBondContact CB-O 3.26Å; L108-L156 HydrophobicContact CD1-CD1 4.37Å; L108-L156 HydrophobicContact CD2-CD1 4.15Å; L114-L156 HydrophobicContact CD1-CD1 4.37Å; L114-L156 HydrophobicContact CD2-CD1 3.9Å; A152-L156 WeakPolarHBondContact O-CB 3.35Å; A152-L156 PolarHBondContact O-N 3.34Å; I153-L156 VanDerWaalsContact O-CB 3.25Å; I153-L156 WeakPolarHBondContact O-CB 3.21Å; I153-L156 PolarHBondContact O-N 2.91Å; R154-L156 VanDerWaalsContact C-N 3.27Å; R154-L156 PolarHBondContact O-N 2.91Å; L156-L293 HydrophobicContact CD1-CD1 3.7Å; L156-F294 HydrophobicContact CD2-CE2 4.31Å; L156-F294 HydrophobicContact CD2-CZ 4.41Å |
| 157 | A | 61.8 | Low | 72.2 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -88.8 | -10.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I153 R154 N155 R159 | I153-A157 PolarHBondContact O-N 3.38Å; R154-A157 PolarHBondContact O-N 3.36Å; N155-A157 PolarHBondContact O-N 3.3Å; A157-R159 PolarHBondContact O-N 3.42Å |
| 158 | T | 63.8 | Low | 71.9 | Confident | 62 Ų | 62 | 54.6 Ų | 54.6 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | trans | -78.3 | 109.1 | 179.7 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | N155 | N155-T158 PolarHBondContact O-OG1 3.48Š| ||
| 159 | R | 61.8 | Low | 71.4 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -79.4 | 129.6 | -170.1 | -171.6 | -176.6 | -174.5 | -160.3 | 0.2 | 112 | A157 R161 W172 | A157-R159 PolarHBondContact O-N 3.42Å; R159-R161 PolarHBondContact O-N 3.12Å; R159-W172 PolarHBondContact NH2-O 2.82Å | ||
| 160 | P | 59.4 | Low | 70.7 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | trans | -71.7 | 120.8 | 162 | 27.7 | -29.7 | 0 | 0 | 0 | 109.3 | Y109 A162 | Y109-P160 HydrophobicContact CD1-CG 3.59Å; Y109-P160 HydrophobicContact CD2-CG 4.03Å; Y109-P160 HydrophobicContact CE1-CG 4.09Å; Y109-P160 HydrophobicContact CE2-CG 4.49Å; Y109-P160 HydrophobicContact CG-CG 3.57Å; P160-A162 HydrophobicContact CB-CB 4.48Å; P160-A162 PolarHBondContact O-N 2.86Å; P160-A162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | R | 63.6 | Low | 70.3 | Confident | 168 Ų | 168 | 52.6 Ų | 52.6 | 63% | 0.634 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -71.5 | 10.9 | 166.1 | -67.5 | -173 | -177.2 | 155.5 | 8.3 | 112.8 | R159 E1496 | R159-R161 PolarHBondContact O-N 3.12Å; R161-E1496 IonicContact CZ-OE2 3.72Å; R161-E1496 IonicContact NH1-OE2 2.58Å; R161-E1496 PolarHBondContact NH1-OE2 3.09Å; R161-E1496 IonicContact NH2-OE2 2.86Å |
| 162 | A | 65.3 | Low | 70 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -103.2 | 159.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P160 S171 | P160-A162 HydrophobicContact CB-CB 4.48Å; P160-A162 PolarHBondContact O-N 2.86Å; P160-A162 VanDerWaalsContact O-N 3.1Å; A162-S171 PolarHBondContact O-OG 3.47Å |
| 163 | P | 70.2 | Confident | 69.6 | Low | 80 Ų | 80 | 54.1 Ų | 54.1 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 157 | 165.6 | 25.8 | -34.2 | 0 | 0 | 0 | 110.8 | K165 | P163-K165 PolarHBondContact O-N 3.22Š|
| 164 | C | 72.5 | Confident | 69.7 | Low | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 123.9 | 179.2 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | C102 Y109 L166 G168 S169 | C102-C164 HydrophobicContact CB-CB 4.15Å; C102-C164 WeakPolarHBondContact SG-CB 3.2Å; C102-C164 VanDerWaalsContact SG-SG 3.63Å; Y109-C164 HydrophobicContact CE1-CB 4.18Å; C164-L166 PolarHBondContact O-N 3.5Å; C164-L166 VanDerWaalsContact O-N 3.15Å; C164-L166 PolarHBondContact SG-N 3.43Å; C164-G168 VanDerWaalsContact O-CA 3.27Å; C164-G168 WeakPolarHBondContact O-CA 3.35Å; C164-G168 PolarHBondContact O-N 3.03Å; C164-S169 PolarHBondContact N-O 2.88Å |
| 165 | K | 71.5 | Confident | 70 | Confident | 166 Ų | 166 | 54.8 Ų | 54.8 | 72% | 0.722 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.5 | 177.6 | -67.8 | -175.8 | -178.8 | 174 | 0 | 113.9 | P163 | P163-K165 PolarHBondContact O-N 3.22Š|
| 166 | L | 71 | Confident | 70.3 | Confident | 66 Ų | 66 | 56.6 Ų | 56.6 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -45.8 | -177.1 | -63.2 | 170.3 | 0 | 0 | 0 | 112.8 | R107 C164 | R107-L166 HydrophobicContact CB-CD1 3.87Å; C164-L166 PolarHBondContact O-N 3.5Å; C164-L166 VanDerWaalsContact O-N 3.15Å; C164-L166 PolarHBondContact SG-N 3.43Å |
| 167 | C | 75.1 | Confident | 70.7 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -1.6 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 115.1 | C105 S169 | C105-C167 HydrophobicContact CB-CB 3.77Å; C167-S169 PolarHBondContact O-N 2.97Å; C167-S169 VanDerWaalsContact O-N 3.15Å; C167-S169 PolarHBondContact SG-OG 3.25Å; C167-S169 VanDerWaalsContact SG-OG 3.37Å |
| 168 | G | 67.7 | Low | 71.3 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | trans | 75.4 | -7.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C164 | C164-G168 VanDerWaalsContact O-CA 3.27Å; C164-G168 WeakPolarHBondContact O-CA 3.35Å; C164-G168 PolarHBondContact O-N 3.03Å | ||
| 169 | S | 70.4 | Confident | 72.2 | Confident | 33 Ų | 33 | 60 Ų | 60 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.6 | -178.2 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | C102 C164 C167 | C102-S169 PolarHBondContact SG-OG 2.97Å; C164-S169 PolarHBondContact N-O 2.88Å; C167-S169 PolarHBondContact O-N 2.97Å; C167-S169 VanDerWaalsContact O-N 3.15Å; C167-S169 PolarHBondContact SG-OG 3.25Å; C167-S169 VanDerWaalsContact SG-OG 3.37Å |
| 170 | G | 67.7 | Low | 73.1 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 52% | 0.515 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 146.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 171 | S | 68.1 | Low | 74.3 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 144.6 | 177.2 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | A162 I187 | A162-S171 PolarHBondContact O-OG 3.47Å; S171-I187 WeakPolarHBondContact O-CG1 3.5Å; S171-I187 PolarHBondContact O-N 3.21Å; S171-I187 WeakPolarHBondContact OG-CD1 3.46Å |
| 172 | W | 72.8 | Confident | 75.4 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.7 | -176.1 | -69.3 | 78 | 0 | 0 | 0 | 110.3 | F103 R159 F184 I259 I268 | F103-W172 HydrophobicContact CD2-CB 3.78Å; F103-W172 AromaticContact CD2-CD1 3.63Å; F103-W172 AromaticContact CD2-CG 3.75Å; F103-W172 HydrophobicContact CD2-CG 3.75Å; F103-W172 HydrophobicContact CE2-CB 3.69Å; F103-W172 HydrophobicContact CE2-CG 4.17Å; R159-W172 PolarHBondContact NH2-O 2.82Å; W172-F184 HydrophobicContact CE3-CB 4.27Å; W172-I259 HydrophobicContact CH2-CD1 4.34Å; W172-I259 HydrophobicContact CH2-CG1 4.12Å; W172-I259 HydrophobicContact CZ2-CD1 4.15Å; W172-I259 HydrophobicContact CZ2-CG1 4.44Å; W172-I268 HydrophobicContact CH2-CD1 4Å; W172-I268 HydrophobicContact CZ3-CD1 3.76Å |
| 173 | G | 74.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F184 H185 | G173-F184 CarbonylContact O-C 3.54Å; G173-F184 WeakPolarHBondContact O-CA 3.46Å; G173-H185 WeakPolarHBondContact CA-O 3.47Å; G173-H185 PolarHBondContact N-O 3.43Å; G173-H185 PolarHBondContact O-CD2 3.21Å; G173-H185 VanDerWaalsContact O-CD2 3.31Å; G173-H185 PolarHBondContact O-N 3.06Å |
| 174 | L | 79.6 | Confident | 76.7 | Confident | 15 Ų | 15 | 42.2 Ų | 42.2 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.1 | -175.9 | -176.4 | 62.4 | 0 | 0 | 0 | 109.9 | Y95 V98 K99 L182 F184 | Y95-L174 HydrophobicContact CD2-CD2 3.64Å; Y95-L174 HydrophobicContact CD2-CG 4.07Å; Y95-L174 HydrophobicContact CE2-CD2 3.67Å; Y95-L174 HydrophobicContact CE2-CG 3.61Å; Y95-L174 PolarHBondContact OH-O 2.88Å; V98-L174 HydrophobicContact CB-CD2 3.91Å; V98-L174 HydrophobicContact CG1-CD2 3.66Å; K99-L174 WeakPolarHBondContact CE-O 3.46Å; K99-L174 HydrophobicContact CG-CB 4.12Å; K99-L174 HydrophobicContact CG-CD2 3.81Å; L174-L182 HydrophobicContact CD1-CB 4.1Å; L174-L182 HydrophobicContact CD1-CD2 4.07Å; L174-L182 HydrophobicContact CD2-CD2 4.43Å; L174-L182 HydrophobicContact CG-CD2 4.41Å; L174-F184 HydrophobicContact CD1-CD1 3.73Å; L174-F184 HydrophobicContact CD1-CD2 3.84Å; L174-F184 HydrophobicContact CD1-CE1 3.4Å; L174-F184 VanDerWaalsContact CD1-CE1 3.4Å; L174-F184 HydrophobicContact CD1-CE2 3.48Å; L174-F184 VanDerWaalsContact CD1-CE2 3.48Å; L174-F184 HydrophobicContact CD1-CG 3.94Å; L174-F184 HydrophobicContact CD1-CZ 3.27Å; L174-F184 HydrophobicContact CG-CE1 4.38Å; L174-F184 HydrophobicContact CG-CZ 4.48Å |
| 175 | R | 83.3 | Confident | 76.9 | Confident | 94 Ų | 94 | 45 Ų | 45 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160 | 167.1 | 72.6 | -178 | -156.8 | -160.3 | 0.5 | 109.3 | V183 E267 | R175-V183 HydrophobicContact CG-CB 3.71Å; R175-V183 HydrophobicContact CG-CG1 4.19Å; R175-V183 PolarHBondContact N-O 3.44Å; R175-V183 PolarHBondContact O-N 3.32Å; R175-V183 VanDerWaalsContact O-O 3.12Å; R175-E267 IonicContact CZ-OE1 3.4Å; R175-E267 IonicContact CZ-OE2 3.25Å; R175-E267 IonicContact NH1-OE1 2.75Å; R175-E267 PolarHBondContact NH1-OE1 2.95Å; R175-E267 IonicContact NH1-OE2 3.53Å; R175-E267 PolarHBondContact NH1-OE2 3.13Å; R175-E267 VanDerWaalsContact NH2-CD 3.28Å; R175-E267 IonicContact NH2-OE1 3.6Å; R175-E267 IonicContact NH2-OE2 2.69Å; R175-E267 PolarHBondContact NH2-OE2 3.21Å |
| 176 | H | 84.3 | Confident | 76.8 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 32% | 0.324 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.7 | 172.5 | 69.3 | 62.8 | 0 | 0 | 0 | 110.2 | F91 Y95 Q181 L182 | F91-H176 HydrophobicContact CE1-CB 3.94Å; F91-H176 AromaticContact CE1-CG 3.98Å; F91-H176 HydrophobicContact CZ-CB 4Å; Y95-H176 HydrophobicContact CD2-CB 4.44Å; Y95-H176 HydrophobicContact CE2-CB 4.16Å; Y95-H176 AromaticContact CE2-CD2 3.84Å; Y95-H176 AromaticContact CZ-CD2 3.89Å; H176-Q181 CarbonylContact C-O 3.46Å; H176-Q181 WeakPolarHBondContact CA-O 3.41Å; H176-Q181 WeakPolarHBondContact CB-O 3.5Å; H176-L182 HydrophobicContact CB-CD2 3.78Å |
| 177 | I | 81.4 | Confident | 76.5 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 35% | 0.354 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 116.5 | 171.7 | -58.5 | 174.5 | 0 | 0 | 0 | 107.3 | K179 Q180 Q181 V183 | I177-K179 PolarHBondContact O-N 3.28Å; I177-Q180 PolarHBondContact O-N 3.4Å; I177-Q181 HydrophobicContact CB-CB 4.46Å; I177-Q181 PolarHBondContact N-O 2.95Å; I177-Q181 PolarHBondContact O-N 3.42Å; I177-V183 HydrophobicContact CD1-CG2 3.78Å; I177-V183 HydrophobicContact CG1-CG2 4.12Å |
| 178 | S | 74 | Confident | 75.6 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 24.1 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 116.2 | Q180 | S178-Q180 PolarHBondContact O-N 3.06Š|
| 179 | K | 81.6 | Confident | 74.8 | Confident | 49 Ų | 49 | 48 Ų | 48 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 26 | -170.2 | -52.3 | -174.9 | -173.6 | -171 | 0 | 114 | F91 D92 I177 M415 | F91-K179 HydrophobicContact CD1-CB 3.58Å; F91-K179 HydrophobicContact CD1-CD 3.84Å; F91-K179 HydrophobicContact CD1-CG 3.62Å; F91-K179 HydrophobicContact CD2-CB 4.44Å; F91-K179 HydrophobicContact CE1-CB 3.64Å; F91-K179 HydrophobicContact CE1-CD 4.47Å; F91-K179 HydrophobicContact CE1-CG 3.76Å; F91-K179 HydrophobicContact CE2-CB 4.49Å; F91-K179 HydrophobicContact CG-CB 4Å; F91-K179 HydrophobicContact CG-CD 4.46Å; F91-K179 HydrophobicContact CG-CG 4.43Å; F91-K179 HydrophobicContact CZ-CB 4.11Å; D92-K179 WeakPolarHBondContact OD1-CE 3.4Å; D92-K179 IonicContact OD1-NZ 2.69Å; D92-K179 PolarHBondContact OD1-NZ 3.44Å; D92-K179 IonicContact OD2-NZ 3.9Å; D92-K179 PolarHBondContact OD2-NZ 3.3Å; I177-K179 PolarHBondContact O-N 3.28Å; K179-M415 HydrophobicContact CB-CE 3.76Å; K179-M415 HydrophobicContact CD-CE 3.6Å; K179-M415 HydrophobicContact CD-SD 3.96Å; K179-M415 HydrophobicContact CG-CE 4.25Å |
| 180 | Q | 82.3 | Confident | 73.3 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -30.1 | 176.9 | -66.7 | 167.9 | 8.3 | 0 | 0 | 111.4 | I177 S178 Q404 N408 M415 I417 | I177-Q180 PolarHBondContact O-N 3.4Å; S178-Q180 PolarHBondContact O-N 3.06Å; Q180-Q404 HydrophobicContact CB-CG 4.23Å; Q180-Q404 HydrophobicContact CG-CG 4.4Å; Q180-N408 WeakPolarHBondContact CG-ND2 3.43Å; Q180-M415 PolarHBondContact NE2-O 2.91Å; Q180-I417 PolarHBondContact NE2-O 2.92Å |
| 181 | Q | 84 | Confident | 72 | Confident | 47 Ų | 47 | 52 Ų | 52 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 147.4 | -176.9 | -65.8 | 175.7 | 0.1 | 0 | 0 | 111 | H176 I177 V401 | H176-Q181 CarbonylContact C-O 3.46Å; H176-Q181 WeakPolarHBondContact CA-O 3.41Å; H176-Q181 WeakPolarHBondContact CB-O 3.5Å; I177-Q181 HydrophobicContact CB-CB 4.46Å; I177-Q181 PolarHBondContact N-O 2.95Å; I177-Q181 PolarHBondContact O-N 3.42Å; Q181-V401 HydrophobicContact CG-CG1 4.4Å; Q181-V401 HydrophobicContact CG-CG2 3.84Å |
| 182 | L | 86.6 | Confident | 70.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | 171.5 | -72.8 | 174.5 | 0 | 0 | 0 | 109.5 | F86 F91 Y95 L174 H176 F184 C269 F270 I275 | F86-L182 HydrophobicContact CE1-CD1 4.29Å; F86-L182 HydrophobicContact CZ-CD1 4.1Å; F91-L182 HydrophobicContact CE1-CD2 4.37Å; F91-L182 HydrophobicContact CE2-CD1 4.44Å; F91-L182 HydrophobicContact CE2-CD2 4.45Å; F91-L182 HydrophobicContact CE2-CG 4.3Å; F91-L182 HydrophobicContact CZ-CD1 4.42Å; F91-L182 HydrophobicContact CZ-CD2 3.68Å; F91-L182 HydrophobicContact CZ-CG 3.96Å; Y95-L182 HydrophobicContact CD2-CD2 3.55Å; Y95-L182 HydrophobicContact CE2-CD2 3.97Å; L174-L182 HydrophobicContact CD1-CB 4.1Å; L174-L182 HydrophobicContact CD1-CD2 4.07Å; L174-L182 HydrophobicContact CD2-CD2 4.43Å; L174-L182 HydrophobicContact CG-CD2 4.41Å; H176-L182 HydrophobicContact CB-CD2 3.78Å; L182-F184 HydrophobicContact CB-CE2 3.68Å; L182-F184 HydrophobicContact CB-CZ 4.27Å; L182-F184 WeakPolarHBondContact O-CD2 3.45Å; L182-F184 WeakPolarHBondContact O-CE2 3.35Å; L182-C269 WeakPolarHBondContact O-CA 3.33Å; L182-F270 PolarHBondContact O-N 2.97Å; L182-I275 HydrophobicContact CB-CD1 3.93Å; L182-I275 HydrophobicContact CD1-CD1 3.32Å; L182-I275 HydrophobicContact CG-CD1 4.18Å |
| 183 | V | 83 | Confident | 68.8 | Low | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.4 | -175.8 | -179 | 0 | 0 | 0 | 0 | 109.4 | R175 I177 E267 I268 C269 | R175-V183 HydrophobicContact CG-CB 3.71Å; R175-V183 HydrophobicContact CG-CG1 4.19Å; R175-V183 PolarHBondContact N-O 3.44Å; R175-V183 PolarHBondContact O-N 3.32Å; R175-V183 VanDerWaalsContact O-O 3.12Å; I177-V183 HydrophobicContact CD1-CG2 3.78Å; I177-V183 HydrophobicContact CG1-CG2 4.12Å; V183-E267 HydrophobicContact CG1-CB 3.71Å; V183-E267 HydrophobicContact CG1-CG 4.21Å; V183-I268 CarbonylContact C-O 3.54Å; V183-I268 WeakPolarHBondContact CA-O 3.44Å; V183-C269 HydrophobicContact CG2-CB 4.49Å |
| 184 | F | 79.6 | Confident | 67.1 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.3 | -174.9 | -63.3 | -106.2 | 0 | 0 | 0 | 109.3 | V98 F103 W172 G173 L174 L182 E267 I268 F270 I275 | V98-F184 HydrophobicContact CG1-CE1 3.95Å; V98-F184 HydrophobicContact CG1-CZ 3.92Å; F103-F184 HydrophobicContact CE1-CE1 4.21Å; F103-F184 HydrophobicContact CE2-CD1 4Å; F103-F184 AromaticContact CE2-CE1 3.93Å; F103-F184 HydrophobicContact CE2-CE1 3.93Å; F103-F184 HydrophobicContact CZ-CD1 4.09Å; F103-F184 AromaticContact CZ-CE1 3.52Å; F103-F184 HydrophobicContact CZ-CE1 3.52Å; W172-F184 HydrophobicContact CE3-CB 4.27Å; G173-F184 CarbonylContact O-C 3.54Å; G173-F184 WeakPolarHBondContact O-CA 3.46Å; L174-F184 HydrophobicContact CD1-CD1 3.73Å; L174-F184 HydrophobicContact CD1-CD2 3.84Å; L174-F184 HydrophobicContact CD1-CE1 3.4Å; L174-F184 VanDerWaalsContact CD1-CE1 3.4Å; L174-F184 HydrophobicContact CD1-CE2 3.48Å; L174-F184 VanDerWaalsContact CD1-CE2 3.48Å; L174-F184 HydrophobicContact CD1-CG 3.94Å; L174-F184 HydrophobicContact CD1-CZ 3.27Å; L174-F184 HydrophobicContact CG-CE1 4.38Å; L174-F184 HydrophobicContact CG-CZ 4.48Å; L182-F184 HydrophobicContact CB-CE2 3.68Å; L182-F184 HydrophobicContact CB-CZ 4.27Å; L182-F184 WeakPolarHBondContact O-CD2 3.45Å; L182-F184 WeakPolarHBondContact O-CE2 3.35Å; F184-E267 CarbonylContact O-C 3.26Å; F184-E267 WeakPolarHBondContact O-CA 3.3Å; F184-I268 PolarHBondContact N-O 3.12Å; F184-I268 PolarHBondContact O-N 2.86Å; F184-F270 HydrophobicContact CB-CD2 4.49Å; F184-F270 HydrophobicContact CB-CE2 4.02Å; F184-F270 AromaticContact CD1-CD2 3.99Å; F184-F270 HydrophobicContact CD1-CD2 3.99Å; F184-F270 AromaticContact CD1-CE2 3.73Å; F184-F270 HydrophobicContact CD1-CE2 3.73Å; F184-F270 HydrophobicContact CD2-CB 4.38Å; F184-F270 AromaticContact CD2-CD2 3.18Å; F184-F270 HydrophobicContact CD2-CD2 3.18Å; F184-F270 AromaticContact CD2-CE2 3.57Å; F184-F270 HydrophobicContact CD2-CE2 3.57Å; F184-F270 AromaticContact CD2-CG 3.99Å; F184-F270 HydrophobicContact CD2-CG 3.99Å; F184-F270 AromaticContact CE1-CD2 3.92Å; F184-F270 HydrophobicContact CE1-CD2 3.92Å; F184-F270 HydrophobicContact CE1-CE2 4.02Å; F184-F270 HydrophobicContact CE2-CB 4Å; F184-F270 AromaticContact CE2-CD2 3.17Å; F184-F270 HydrophobicContact CE2-CD2 3.17Å; F184-F270 AromaticContact CE2-CE2 3.93Å; F184-F270 HydrophobicContact CE2-CE2 3.93Å; F184-F270 AromaticContact CE2-CG 3.96Å; F184-F270 HydrophobicContact CE2-CG 3.96Å; F184-F270 AromaticContact CG-CD2 3.63Å; F184-F270 HydrophobicContact CG-CD2 3.63Å; F184-F270 AromaticContact CG-CE2 3.49Å; F184-F270 HydrophobicContact CG-CE2 3.49Å; F184-F270 VanDerWaalsContact CG-CE2 3.49Å; F184-F270 AromaticContact CZ-CD2 3.54Å; F184-F270 HydrophobicContact CZ-CD2 3.54Å; F184-F270 HydrophobicContact CZ-CE2 4.12Å; F184-I275 HydrophobicContact CE2-CD1 4.34Å; F184-I275 HydrophobicContact CZ-CD1 4.27Å |
| 185 | H | 76.3 | Confident | 65.5 | Low | 63 Ų | 63 | 73.4 Ų | 73.4 | 29% | 0.292 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135 | 175.2 | 63.4 | 86.1 | 0 | 0 | 0 | 109.6 | G173 I187 K266 E267 | G173-H185 WeakPolarHBondContact CA-O 3.47Å; G173-H185 PolarHBondContact N-O 3.43Å; G173-H185 PolarHBondContact O-CD2 3.21Å; G173-H185 VanDerWaalsContact O-CD2 3.31Å; G173-H185 PolarHBondContact O-N 3.06Å; H185-I187 PolarHBondContact O-N 3Å; H185-K266 WeakPolarHBondContact CB-O 3.22Å; H185-E267 HydrophobicContact CB-CG 4.27Å |
| 186 | P | 69.1 | Low | 63.4 | Low | 77 Ų | 77 | 74.6 Ų | 74.6 | 50% | 0.5 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 136.7 | 175.5 | 24.8 | -31.9 | 0 | 0 | 0 | 110 | S188 | P186-S188 PolarHBondContact O-N 2.89Å; P186-S188 VanDerWaalsContact O-N 3.15Å |
| 187 | I | 65.3 | Low | 61.2 | Low | 47 Ų | 47 | 76 Ų | 76 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | trans | -74.6 | 106.4 | 169.5 | -54.2 | 175.1 | 0 | 0 | 0 | 107.6 | S171 H185 I189 | S171-I187 WeakPolarHBondContact O-CG1 3.5Å; S171-I187 PolarHBondContact O-N 3.21Å; S171-I187 WeakPolarHBondContact OG-CD1 3.46Å; H185-I187 PolarHBondContact O-N 3Å; I187-I189 PolarHBondContact O-N 3.06Å | ||
| 188 | S | 57 | Low | 59.1 | Low | 83 Ų | 83 | 83.3 Ų | 83.3 | 58% | 0.58 | 46% | 0.459 | S | S | * | . | trans | -62.5 | 126.7 | 166.5 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | P186 V190 | P186-S188 PolarHBondContact O-N 2.89Å; P186-S188 VanDerWaalsContact O-N 3.15Å; S188-V190 PolarHBondContact O-N 3.4Å; S188-V190 VanDerWaalsContact OG-CG2 3.22Å; S188-V190 WeakPolarHBondContact OG-CG2 3.14Å | ||
| 189 | I | 49.8 | Very low | 57.4 | Low | 168 Ų | 168 | 86 Ų | 86 | 86% | 0.862 | 47% | 0.466 | S | S | * | . | trans | -64.1 | 79.8 | 171.5 | -56.1 | 168.3 | 0 | 0 | 0 | 107.9 | I187 | I187-I189 PolarHBondContact O-N 3.06Š| ||
| 190 | V | 40.1 | Very low | 55.4 | Low | 89 Ų | 89 | 91 Ų | 91 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | trans | -124.8 | 78.6 | -176.3 | -176.8 | 0 | 0 | 0 | 0 | 107.2 | S188 | S188-V190 PolarHBondContact O-N 3.4Å; S188-V190 VanDerWaalsContact OG-CG2 3.22Å; S188-V190 WeakPolarHBondContact OG-CG2 3.14Å | ||
| 191 | G | 39 | Very low | 53.2 | Low | 79 Ų | 79 | 99.3 Ų | 99.3 | 81% | 0.814 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -150.3 | -1.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 192 | S | 35.5 | Very low | 51 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | trans | -134.9 | 96.4 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | R194 | S192-R194 PolarHBondContact O-N 2.58Š| ||
| 193 | N | 39.7 | Very low | 48.7 | Very low | 140 Ų | 140 | 110.8 Ų | 110.8 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 20.3 | -179.9 | -86.2 | -17.5 | 0 | 0 | 0 | 114 | ||
| 194 | R | 38.5 | Very low | 46.5 | Very low | 245 Ų | 245 | 118.5 Ų | 118.5 | 93% | 0.925 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | -5.6 | -179 | -83.5 | -174.5 | 173 | -178.8 | -1.3 | 115.9 | S192 | S192-R194 PolarHBondContact O-N 2.58Š|
| 195 | S | 46 | Very low | 44.4 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -118.4 | -3 | -175 | 54.5 | 0 | 0 | 0 | 0 | 116.3 | A197 R198 | S195-A197 VanDerWaalsContact C-N 3.27Å; S195-A197 PolarHBondContact O-N 2.61Å; S195-R198 PolarHBondContact O-N 3.29Å |
| 196 | K | 37.8 | Very low | 42.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -12.9 | -173.2 | -83.4 | -177.6 | 175 | 175.6 | 0 | 116.3 | ||
| 197 | A | 38.7 | Very low | 40.9 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -12.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S195 | S195-A197 VanDerWaalsContact C-N 3.27Å; S195-A197 PolarHBondContact O-N 2.61Å |
| 198 | R | 37.2 | Very low | 39.7 | Very low | 223 Ų | 223 | 133.6 Ų | 133.6 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -20.1 | -173.2 | -143 | 175.9 | 176.2 | -172.3 | -3 | 114.3 | S195 | S195-R198 PolarHBondContact O-N 3.29Š|
| 199 | M | 39 | Very low | 39 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 60% | 0.596 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -94.4 | -10 | 176.6 | -90.4 | 180 | 163.8 | 0 | 0 | 113.8 | E201 L203 | M199-E201 VanDerWaalsContact C-N 3.32Å; M199-E201 PolarHBondContact O-N 3.16Å; M199-L203 HydrophobicContact CB-CD1 4.31Å; M199-L203 WeakPolarHBondContact O-CD1 3.37Å |
| 200 | K | 39.4 | Very low | 38.7 | Very low | 155 Ų | 155 | 133.9 Ų | 133.9 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -10.9 | -173.4 | -147.3 | -174.5 | -178.7 | -159.7 | 0 | 113.8 | ||
| 201 | E | 36.4 | Very low | 38.8 | Very low | 181 Ų | 181 | 134.6 Ų | 134.6 | 85% | 0.846 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -6.1 | 175.3 | -76.5 | 176.7 | 159.3 | 0 | 0 | 113.1 | M199 | M199-E201 VanDerWaalsContact C-N 3.32Å; M199-E201 PolarHBondContact O-N 3.16Å |
| 202 | E | 37.6 | Very low | 38.9 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -111.4 | -0.3 | -177.7 | -69.7 | 177.8 | 167.4 | 0 | 0 | 113.6 | ||
| 203 | L | 38.2 | Very low | 39 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -114.4 | 8 | -169.8 | -90.8 | 161.1 | 0 | 0 | 0 | 114.8 | M199 | M199-L203 HydrophobicContact CB-CD1 4.31Å; M199-L203 WeakPolarHBondContact O-CD1 3.37Å |
| 204 | E | 35.8 | Very low | 38.7 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -98.5 | 3.9 | -177.7 | -73.3 | -174.4 | 168.4 | 0 | 0 | 114.8 | ||
| 205 | E | 36.3 | Very low | 38.5 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -119.9 | -13.2 | -178.2 | -73.7 | -173.5 | 152.7 | 0 | 0 | 117.6 | ||
| 206 | D | 36.4 | Very low | 38.3 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 58% | 0.583 | 70% | 0.696 | S | S | * | * | trans | -116.9 | 48.7 | -165.3 | -67.7 | -28 | 0 | 0 | 0 | 116.3 | S208 | D206-S208 VanDerWaalsContact C-N 3.28Å; D206-S208 PolarHBondContact O-N 2.81Å | ||
| 207 | C | 35.6 | Very low | 38.1 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -2.7 | -177.5 | -142.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 208 | S | 40 | Very low | 38.2 | Very low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -19.5 | 179.8 | 38.8 | 0 | 0 | 0 | 0 | 115 | D206 | D206-S208 VanDerWaalsContact C-N 3.28Å; D206-S208 PolarHBondContact O-N 2.81Å |
| 209 | D | 43 | Very low | 38.4 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 55% | 0.551 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -95.8 | -7 | -169.5 | -74 | 7 | 0 | 0 | 0 | 114.6 | L211 E212 | D209-L211 PolarHBondContact O-N 2.74Å; D209-L211 VanDerWaalsContact O-N 3.15Å; D209-E212 PolarHBondContact O-N 2.77Å |
| 210 | L | 42.4 | Very low | 38.6 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 80% | 0.801 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -70.9 | -6.2 | -178.1 | -91.3 | 155.3 | 0 | 0 | 0 | 114.9 | ||
| 211 | L | 42.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -114.8 | -10.2 | -178.7 | -74.2 | 164.5 | 0 | 0 | 0 | 114.2 | D209 | D209-L211 PolarHBondContact O-N 2.74Å; D209-L211 VanDerWaalsContact O-N 3.15Å |
| 212 | E | 41.8 | Very low | 38.8 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 0.6 | -174 | -72.1 | -171.7 | 158.3 | 0 | 0 | 114.9 | D209 | D209-E212 PolarHBondContact O-N 2.77Š|
| 213 | G | 36.9 | Very low | 39 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -97.2 | 13.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | K215 | G213-K215 PolarHBondContact O-N 2.97Š| ||
| 214 | C | 33.9 | Very low | 39.1 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | trans | -89.7 | 75.1 | -176.5 | -79.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 215 | K | 34.7 | Very low | 39.2 | Very low | 197 Ų | 197 | 119.4 Ų | 119.4 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | trans | -85.1 | 103.4 | 155.6 | -72.9 | -170.5 | 178.8 | -180 | 0 | 108.8 | G213 D217 | G213-K215 PolarHBondContact O-N 2.97Å; K215-D217 PolarHBondContact O-N 3.12Å | ||
| 216 | V | 40.3 | Very low | 39.3 | Very low | 64 Ų | 64 | 114 Ų | 114 | 39% | 0.388 | 61% | 0.612 | S | S | . | * | trans | -84 | 94.2 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 108 | D218 | V216-D218 HydrophobicContact CG1-CB 3.8Å; V216-D218 PolarHBondContact O-N 2.81Å | ||
| 217 | D | 34.6 | Very low | 39.4 | Very low | 167 Ų | 167 | 114.8 Ų | 114.8 | 89% | 0.893 | 62% | 0.616 | S | S | * | * | trans | -75.1 | 73.3 | 164.2 | -79 | -23.7 | 0 | 0 | 0 | 108.8 | K215 | K215-D217 PolarHBondContact O-N 3.12Š| ||
| 218 | D | 40.3 | Very low | 39.6 | Very low | 40 Ų | 40 | 115.3 Ų | 115.3 | 21% | 0.214 | 60% | 0.604 | C | S | . | * | trans | -120.9 | 114.4 | 167.3 | -161.1 | -13.5 | 0 | 0 | 0 | 108.5 | V216 R220 M221 | V216-D218 HydrophobicContact CG1-CB 3.8Å; V216-D218 PolarHBondContact O-N 2.81Å; D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 WeakPolarHBondContact OD1-CG 3.48Å; D218-R220 PolarHBondContact OD1-N 3.32Å; D218-R220 IonicContact OD1-NE 3.35Å; D218-R220 PolarHBondContact OD1-NE 3.15Å; D218-R220 VanDerWaalsContact OD1-NE 3.16Å; D218-R220 IonicContact OD2-CZ 2.78Å; D218-R220 IonicContact OD2-NE 2.68Å; D218-R220 PolarHBondContact OD2-NE 3.48Å; D218-R220 VanDerWaalsContact OD2-NE 3.12Å; D218-R220 IonicContact OD2-NH2 3.53Å; D218-M221 PolarHBondContact O-N 3.45Å | ||
| 219 | Q | 41.3 | Very low | 39.6 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -8.4 | 177.6 | -68.8 | 177.9 | -12.2 | 0 | 0 | 113 | M221 | Q219-M221 VanDerWaalsContact C-N 3.33Š|
| 220 | R | 44.6 | Very low | 39.3 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 39% | 0.392 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.5 | -14.9 | 171.1 | -69 | -175.8 | -104.2 | -161.5 | -8 | 114.9 | D218 N224 | D218-R220 PolarHBondContact O-N 3.2Å; D218-R220 WeakPolarHBondContact OD1-CG 3.48Å; D218-R220 PolarHBondContact OD1-N 3.32Å; D218-R220 IonicContact OD1-NE 3.35Å; D218-R220 PolarHBondContact OD1-NE 3.15Å; D218-R220 VanDerWaalsContact OD1-NE 3.16Å; D218-R220 IonicContact OD2-CZ 2.78Å; D218-R220 IonicContact OD2-NE 2.68Å; D218-R220 PolarHBondContact OD2-NE 3.48Å; D218-R220 VanDerWaalsContact OD2-NE 3.12Å; D218-R220 IonicContact OD2-NH2 3.53Å; R220-N224 PolarHBondContact O-ND2 3.44Å |
| 221 | M | 40.2 | Very low | 39 | Very low | 106 Ų | 106 | 119 Ų | 119 | 52% | 0.522 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -76.2 | -31.1 | 177.2 | -82.7 | -99.1 | -93.7 | 0 | 0 | 113 | D218 Q219 | D218-M221 PolarHBondContact O-N 3.45Å; Q219-M221 VanDerWaalsContact C-N 3.33Å |
| 222 | E | 39.7 | Very low | 38.9 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -81.9 | -17.2 | -177.3 | -74.5 | -177 | 154.7 | 0 | 0 | 114.1 | ||
| 223 | Q | 41.7 | Very low | 38.8 | Very low | 135 Ų | 135 | 115.7 Ų | 115.7 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -100.9 | -10.5 | -174.8 | -70 | -179 | -9.5 | 0 | 0 | 114.9 | S226 | Q223-S226 PolarHBondContact O-OG 3.3Š|
| 224 | N | 40 | Very low | 38.9 | Very low | 59 Ų | 59 | 115.8 Ų | 115.8 | 32% | 0.316 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -99 | -10.9 | -174.7 | -75.6 | -56.1 | 0 | 0 | 0 | 114.5 | R220 | R220-N224 PolarHBondContact O-ND2 3.44Š|
| 225 | L | 37.6 | Very low | 39.6 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -77.6 | -20.9 | 168.5 | -99.4 | 90.6 | 0 | 0 | 0 | 112.8 | I229 | L225-I229 WeakPolarHBondContact O-CD1 3.47Å; L225-I229 VanDerWaalsContact O-CG1 3.32Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å |
| 226 | S | 38.1 | Very low | 40.1 | Very low | 69 Ų | 69 | 112.1 Ų | 112.1 | 48% | 0.483 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -88.4 | -19 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | Q223 | Q223-S226 PolarHBondContact O-OG 3.3Š|
| 227 | L | 39.5 | Very low | 40.4 | Very low | 126 Ų | 126 | 111.2 Ų | 111.2 | 66% | 0.66 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -94.9 | -13.8 | -177.1 | -85.9 | 152.8 | 0 | 0 | 0 | 114.6 | I229 | L227-I229 VanDerWaalsContact C-N 3.27Š|
| 228 | F | 38.7 | Very low | 41 | Very low | 133 Ų | 133 | 106.8 Ų | 106.8 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -83.2 | -4.2 | 170.2 | -91.1 | -85.9 | 0 | 0 | 0 | 113 | ||
| 229 | I | 40.6 | Very low | 41.9 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 56% | 0.564 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -95.2 | -9.9 | -171.8 | -67.6 | 177.9 | 0 | 0 | 0 | 112.8 | L225 L227 | L225-I229 WeakPolarHBondContact O-CD1 3.47Å; L225-I229 VanDerWaalsContact O-CG1 3.32Å; L225-I229 WeakPolarHBondContact O-CG1 3.34Å; L227-I229 VanDerWaalsContact C-N 3.27Å |
| 230 | D | 36.2 | Very low | 42.8 | Very low | 132 Ų | 132 | 106.5 Ų | 106.5 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -92.6 | 5.2 | -167.7 | -86 | -17.7 | 0 | 0 | 0 | 117.2 | ||
| 231 | M | 36.4 | Very low | 43.5 | Very low | 182 Ų | 182 | 106.5 Ų | 106.5 | 90% | 0.897 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -147.1 | 14.9 | -176.5 | -77.5 | -152.6 | 64.4 | 0 | 0 | 118.4 | ||
| 232 | S | 39.2 | Very low | 44.9 | Very low | 72 Ų | 72 | 104.2 Ų | 104.2 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -156.4 | 142.9 | 178.1 | 48.1 | 0 | 0 | 0 | 0 | 112.2 | G234 | S232-G234 PolarHBondContact O-N 2.89Š|
| 233 | D | 39.8 | Very low | 46.3 | Very low | 136 Ų | 136 | 99 Ų | 99 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | trans | -41.2 | 126.3 | -176.2 | -76.1 | -36.3 | 0 | 0 | 0 | 113.8 | S235 E236 | D233-S235 PolarHBondContact O-N 3.19Å; D233-E236 PolarHBondContact O-N 2.86Å | ||
| 234 | G | 40.6 | Very low | 47.7 | Very low | 72 Ų | 72 | 95 Ų | 95 | 74% | 0.742 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.3 | -1.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117 | S232 | S232-G234 PolarHBondContact O-N 2.89Å |
| 235 | S | 47.2 | Very low | 49.2 | Very low | 74 Ų | 74 | 95.8 Ų | 95.8 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -85.1 | -22 | 173.4 | 78.8 | 0 | 0 | 0 | 0 | 114.1 | D233 | D233-S235 PolarHBondContact O-N 3.19Å |
| 236 | E | 46.2 | Very low | 51.1 | Low | 125 Ų | 125 | 93 Ų | 93 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -84.1 | -31.6 | 179.9 | -69.8 | -164.3 | 150.8 | 0 | 0 | 112.6 | D233 S238 K239 A240 | D233-E236 PolarHBondContact O-N 2.86Å; E236-S238 PolarHBondContact O-N 3.35Å; E236-K239 PolarHBondContact O-N 3.3Å; E236-A240 PolarHBondContact O-N 3.09Å |
| 237 | A | 45.3 | Very low | 53 | Low | 45 Ų | 45 | 90.7 Ų | 90.7 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K239 A240 E241 | A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.24Å; A237-A240 PolarHBondContact O-N 3.48Å; A237-E241 PolarHBondContact O-N 3.49Å |
| 238 | S | 48.9 | Very low | 54.8 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -32.7 | 178.8 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | E236 A242 | E236-S238 PolarHBondContact O-N 3.35Å; S238-A242 WeakPolarHBondContact O-CB 3.26Å; S238-A242 PolarHBondContact O-N 3.46Å |
| 239 | K | 58 | Low | 56.6 | Low | 139 Ų | 139 | 82 Ų | 82 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -43.2 | 174 | -69.2 | 178.8 | -177.6 | 172.9 | 0 | 111.1 | E236 A237 A242 V243 | E236-K239 PolarHBondContact O-N 3.3Å; A237-K239 VanDerWaalsContact C-N 3.34Å; A237-K239 PolarHBondContact O-N 3.24Å; K239-A242 PolarHBondContact O-N 2.84Å; K239-V243 WeakPolarHBondContact O-CB 3.27Å; K239-V243 WeakPolarHBondContact O-CG2 3.48Å; K239-V243 PolarHBondContact O-N 3.08Å |
| 240 | A | 59.5 | Low | 58.5 | Low | 64 Ų | 64 | 79.7 Ų | 79.7 | 53% | 0.529 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E236 A237 V243 Y244 | E236-A240 PolarHBondContact O-N 3.09Å; A237-A240 PolarHBondContact O-N 3.48Å; A240-V243 PolarHBondContact O-N 3.32Å; A240-Y244 WeakPolarHBondContact O-CB 3.35Å; A240-Y244 PolarHBondContact O-N 3.04Å |
| 241 | E | 60.5 | Low | 60.4 | Low | 105 Ų | 105 | 73.4 Ų | 73.4 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 177.8 | -162.7 | 174.1 | -168.7 | 0 | 0 | 112.3 | A237 Y244 T245 | A237-E241 PolarHBondContact O-N 3.49Å; E241-Y244 PolarHBondContact O-N 3.27Å; E241-T245 WeakPolarHBondContact O-CG2 3.43Å; E241-T245 PolarHBondContact O-N 3.2Å; E241-T245 PolarHBondContact O-OG1 3.15Å |
| 242 | A | 68.4 | Low | 62.3 | Low | 57 Ų | 57 | 70.5 Ų | 70.5 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S238 K239 T245 A246 | S238-A242 WeakPolarHBondContact O-CB 3.26Å; S238-A242 PolarHBondContact O-N 3.46Å; K239-A242 PolarHBondContact O-N 2.84Å; A242-T245 WeakPolarHBondContact CA-OG1 3.42Å; A242-T245 PolarHBondContact O-OG1 3.21Å; A242-A246 VanDerWaalsContact O-CB 3.32Å; A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 3.23Å |
| 243 | V | 70.2 | Confident | 64.1 | Low | 63 Ų | 63 | 71.7 Ų | 71.7 | 38% | 0.382 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111 | K239 A240 A246 N247 F306 | K239-V243 WeakPolarHBondContact O-CB 3.27Å; K239-V243 WeakPolarHBondContact O-CG2 3.48Å; K239-V243 PolarHBondContact O-N 3.08Å; A240-V243 PolarHBondContact O-N 3.32Å; V243-A246 PolarHBondContact O-N 2.95Å; V243-N247 WeakPolarHBondContact O-CB 3.3Å; V243-N247 VanDerWaalsContact O-CG 3.24Å; V243-N247 PolarHBondContact O-N 2.81Å; V243-N247 PolarHBondContact O-ND2 3.11Å; V243-F306 HydrophobicContact CG1-CE2 3.98Å; V243-F306 HydrophobicContact CG1-CZ 3.68Å |
| 244 | Y | 70.1 | Confident | 65.7 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 20% | 0.2 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -48.3 | 176.5 | 173.1 | -104.4 | 0 | 0 | 0 | 112.2 | A240 E241 A246 N247 L248 A284 H285 | A240-Y244 WeakPolarHBondContact O-CB 3.35Å; A240-Y244 PolarHBondContact O-N 3.04Å; E241-Y244 PolarHBondContact O-N 3.27Å; Y244-A246 VanDerWaalsContact C-N 3.31Å; Y244-A246 PolarHBondContact O-N 2.87Å; Y244-N247 PolarHBondContact O-N 2.98Å; Y244-L248 HydrophobicContact CE1-CD2 4.19Å; Y244-L248 WeakPolarHBondContact O-CB 3.42Å; Y244-L248 PolarHBondContact O-N 3.47Å; Y244-A284 HydrophobicContact CD2-CB 3.38Å; Y244-A284 HydrophobicContact CE2-CB 3.57Å; Y244-A284 HydrophobicContact CG-CB 4.33Å; Y244-H285 AromaticContact CZ-NE2 3.96Å; Y244-H285 PolarHBondContact OH-CE1 2.9Å; Y244-H285 VanDerWaalsContact OH-CE1 3.25Å; Y244-H285 PolarHBondContact OH-NE2 3.49Å |
| 245 | T | 72.8 | Confident | 67.3 | Low | 76 Ų | 76 | 64.9 Ų | 64.9 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | E241 A242 L248 S249 | E241-T245 WeakPolarHBondContact O-CG2 3.43Å; E241-T245 PolarHBondContact O-N 3.2Å; E241-T245 PolarHBondContact O-OG1 3.15Å; A242-T245 WeakPolarHBondContact CA-OG1 3.42Å; A242-T245 PolarHBondContact O-OG1 3.21Å; T245-L248 PolarHBondContact O-N 3.01Å; T245-S249 PolarHBondContact O-N 3.34Å; T245-S249 PolarHBondContact O-OG 3.44Å |
| 246 | A | 77.3 | Confident | 68.5 | Low | 48 Ų | 48 | 62.4 Ų | 62.4 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A242 V243 Y244 L248 S249 T250 | A242-A246 VanDerWaalsContact O-CB 3.32Å; A242-A246 WeakPolarHBondContact O-CB 3.49Å; A242-A246 PolarHBondContact O-N 3.23Å; V243-A246 PolarHBondContact O-N 2.95Å; Y244-A246 VanDerWaalsContact C-N 3.31Å; Y244-A246 PolarHBondContact O-N 2.87Å; A246-L248 VanDerWaalsContact C-N 3.33Å; A246-L248 PolarHBondContact O-N 3.12Å; A246-S249 PolarHBondContact O-N 3.06Å; A246-S249 PolarHBondContact O-OG 3.24Å; A246-T250 WeakPolarHBondContact O-CB 3.29Å; A246-T250 PolarHBondContact O-N 3.14Å; A246-T250 PolarHBondContact O-OG1 3.18Å |
| 247 | N | 78.3 | Confident | 69.6 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 177.2 | -74.2 | -30.2 | 0 | 0 | 0 | 112 | V243 Y244 T250 A251 V277 | V243-N247 WeakPolarHBondContact O-CB 3.3Å; V243-N247 VanDerWaalsContact O-CG 3.24Å; V243-N247 PolarHBondContact O-N 2.81Å; V243-N247 PolarHBondContact O-ND2 3.11Å; Y244-N247 PolarHBondContact O-N 2.98Å; N247-T250 PolarHBondContact O-N 3.32Å; N247-A251 WeakPolarHBondContact O-CB 3.41Å; N247-A251 PolarHBondContact O-N 3.22Å; N247-V277 HydrophobicContact CB-CG1 4.19Å; N247-V277 VanDerWaalsContact O-CG1 3.29Å; N247-V277 WeakPolarHBondContact O-CG1 3.43Å |
| 248 | L | 76.3 | Confident | 70.7 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66 | -44 | -179.7 | -174.9 | 67.6 | 0 | 0 | 0 | 112 | F106 Y244 T245 A246 R252 | F106-L248 HydrophobicContact CD2-CD1 3.73Å; F106-L248 HydrophobicContact CE2-CD1 3.66Å; Y244-L248 HydrophobicContact CE1-CD2 4.19Å; Y244-L248 WeakPolarHBondContact O-CB 3.42Å; Y244-L248 PolarHBondContact O-N 3.47Å; T245-L248 PolarHBondContact O-N 3.01Å; A246-L248 VanDerWaalsContact C-N 3.33Å; A246-L248 PolarHBondContact O-N 3.12Å; L248-R252 WeakPolarHBondContact O-CB 3.44Å; L248-R252 WeakPolarHBondContact O-CG 3.5Å; L248-R252 PolarHBondContact O-N 3.1Å |
| 249 | S | 77.6 | Confident | 71.6 | Confident | 56 Ų | 56 | 61 Ų | 61 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 174.9 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | T245 A246 R252 N253 | T245-S249 PolarHBondContact O-N 3.34Å; T245-S249 PolarHBondContact O-OG 3.44Å; A246-S249 PolarHBondContact O-N 3.06Å; A246-S249 PolarHBondContact O-OG 3.24Å; S249-R252 PolarHBondContact O-N 3.09Å; S249-N253 WeakPolarHBondContact O-CB 3.38Å; S249-N253 PolarHBondContact O-N 2.83Å; S249-N253 PolarHBondContact O-ND2 2.74Å; S249-N253 PolarHBondContact O-OD1 2.74Å |
| 250 | T | 79.9 | Confident | 72 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -50.3 | 177 | -53.6 | 0 | 0 | 0 | 0 | 111.5 | A246 N247 R252 N253 M254 | A246-T250 WeakPolarHBondContact O-CB 3.29Å; A246-T250 PolarHBondContact O-N 3.14Å; A246-T250 PolarHBondContact O-OG1 3.18Å; N247-T250 PolarHBondContact O-N 3.32Å; T250-R252 VanDerWaalsContact C-N 3.33Å; T250-R252 PolarHBondContact O-N 3.21Å; T250-N253 PolarHBondContact O-N 3.06Å; T250-M254 HydrophobicContact CG2-CG 4.4Å; T250-M254 HydrophobicContact CG2-SD 3.97Å; T250-M254 WeakPolarHBondContact O-CB 3.36Å; T250-M254 VanDerWaalsContact O-CG 3.26Å; T250-M254 WeakPolarHBondContact O-CG 3.22Å; T250-M254 PolarHBondContact O-N 3.35Å |
| 251 | A | 75.9 | Confident | 72 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F106 N247 L255 V277 | F106-A251 HydrophobicContact CZ-CB 4Å; N247-A251 WeakPolarHBondContact O-CB 3.41Å; N247-A251 PolarHBondContact O-N 3.22Å; A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.4Å; A251-L255 PolarHBondContact O-N 3.01Å; A251-V277 HydrophobicContact CB-CG1 3.82Å |
| 252 | R | 77.4 | Confident | 71.7 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.4 | -43.3 | 178.1 | -75.8 | 179.9 | 177.6 | 148.8 | 0.3 | 112.4 | L248 S249 T250 L255 S256 | L248-R252 WeakPolarHBondContact O-CB 3.44Å; L248-R252 WeakPolarHBondContact O-CG 3.5Å; L248-R252 PolarHBondContact O-N 3.1Å; S249-R252 PolarHBondContact O-N 3.09Å; T250-R252 VanDerWaalsContact C-N 3.33Å; T250-R252 PolarHBondContact O-N 3.21Å; R252-L255 PolarHBondContact O-N 2.74Å; R252-S256 WeakPolarHBondContact O-CB 3.34Å; R252-S256 PolarHBondContact O-N 3.47Å |
| 253 | N | 76.6 | Confident | 71 | Confident | 96 Ų | 96 | 67 Ų | 67 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 177.5 | -70.5 | -8.7 | 0 | 0 | 0 | 110.8 | S249 T250 L255 S256 E257 | S249-N253 WeakPolarHBondContact O-CB 3.38Å; S249-N253 PolarHBondContact O-N 2.83Å; S249-N253 PolarHBondContact O-ND2 2.74Å; S249-N253 PolarHBondContact O-OD1 2.74Å; T250-N253 PolarHBondContact O-N 3.06Å; N253-L255 VanDerWaalsContact C-N 3.33Å; N253-L255 PolarHBondContact O-N 3.28Å; N253-S256 PolarHBondContact O-N 3.04Å; N253-S256 VanDerWaalsContact O-N 3.11Å; N253-S256 PolarHBondContact O-OG 3.12Å; N253-E257 PolarHBondContact O-N 3.19Å |
| 254 | M | 73.1 | Confident | 70.2 | Confident | 47 Ų | 47 | 73.2 Ų | 73.2 | 23% | 0.232 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 177.4 | -67.2 | -178.8 | 84.9 | 0 | 0 | 112.5 | T250 E257 A258 M274 | T250-M254 HydrophobicContact CG2-CG 4.4Å; T250-M254 HydrophobicContact CG2-SD 3.97Å; T250-M254 WeakPolarHBondContact O-CB 3.36Å; T250-M254 VanDerWaalsContact O-CG 3.26Å; T250-M254 WeakPolarHBondContact O-CG 3.22Å; T250-M254 PolarHBondContact O-N 3.35Å; M254-E257 PolarHBondContact O-N 2.92Å; M254-A258 VanDerWaalsContact O-CB 3.3Å; M254-A258 WeakPolarHBondContact O-CB 3.5Å; M254-A258 PolarHBondContact O-N 3.34Å; M254-M274 HydrophobicContact CB-CE 4.02Å; M254-M274 HydrophobicContact CB-CG 4.38Å; M254-M274 HydrophobicContact CB-SD 4.11Å; M254-M274 HydrophobicContact CE-CB 3.85Å; M254-M274 HydrophobicContact CE-CG 4.2Å; M254-M274 HydrophobicContact CE-SD 4.45Å; M254-M274 HydrophobicContact SD-CB 4.44Å; M254-M274 HydrophobicContact SD-CG 4.4Å |
| 255 | L | 73.1 | Confident | 69.6 | Low | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 174.6 | -164.2 | 90.5 | 0 | 0 | 0 | 110.9 | A251 R252 N253 A258 I259 F270 M274 M278 | A251-L255 VanDerWaalsContact O-CB 3.26Å; A251-L255 WeakPolarHBondContact O-CB 3.4Å; A251-L255 PolarHBondContact O-N 3.01Å; R252-L255 PolarHBondContact O-N 2.74Å; N253-L255 VanDerWaalsContact C-N 3.33Å; N253-L255 PolarHBondContact O-N 3.28Å; L255-A258 PolarHBondContact O-N 3.09Å; L255-I259 HydrophobicContact CD2-CD1 4.22Å; L255-I259 HydrophobicContact CG-CD1 4.06Å; L255-I259 WeakPolarHBondContact O-CD1 3.46Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.39Å; L255-F270 HydrophobicContact CD1-CZ 4.23Å; L255-M274 HydrophobicContact CB-CE 4.14Å; L255-M274 HydrophobicContact CD1-CE 4.02Å; L255-M278 HydrophobicContact CD1-CE 3.68Å |
| 256 | S | 73.1 | Confident | 69.2 | Low | 21 Ų | 21 | 78.5 Ų | 78.5 | 15% | 0.147 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 178.8 | 85.3 | 0 | 0 | 0 | 0 | 112.2 | R252 N253 I259 K260 | R252-S256 WeakPolarHBondContact O-CB 3.34Å; R252-S256 PolarHBondContact O-N 3.47Å; N253-S256 PolarHBondContact O-N 3.04Å; N253-S256 VanDerWaalsContact O-N 3.11Å; N253-S256 PolarHBondContact O-OG 3.12Å; S256-I259 PolarHBondContact O-N 3.06Å; S256-K260 WeakPolarHBondContact O-CB 3.33Å; S256-K260 VanDerWaalsContact O-CG 3.25Å; S256-K260 WeakPolarHBondContact O-CG 3.44Å; S256-K260 PolarHBondContact O-N 2.93Å |
| 257 | E | 69.8 | Low | 68.9 | Low | 128 Ų | 128 | 79.6 Ų | 79.6 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.4 | -44.3 | 177.4 | -76.1 | 176.3 | 177.2 | 0 | 0 | 111.4 | N253 M254 I259 K260 S261 | N253-E257 PolarHBondContact O-N 3.19Å; M254-E257 PolarHBondContact O-N 2.92Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.25Å; E257-K260 PolarHBondContact O-N 3Å; E257-S261 WeakPolarHBondContact O-CB 3.49Å; E257-S261 PolarHBondContact O-N 3.41Å; E257-S261 PolarHBondContact O-OG 3.37Å |
| 258 | A | 67.4 | Low | 68.7 | Low | 15 Ų | 15 | 79.5 Ų | 79.5 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.3 | -38.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | M254 L255 S261 I268 F270 M274 | M254-A258 VanDerWaalsContact O-CB 3.3Å; M254-A258 WeakPolarHBondContact O-CB 3.5Å; M254-A258 PolarHBondContact O-N 3.34Å; L255-A258 PolarHBondContact O-N 3.09Å; A258-S261 PolarHBondContact O-OG 3.46Å; A258-I268 HydrophobicContact CB-CG2 4.36Å; A258-F270 HydrophobicContact CB-CD1 4.32Å; A258-F270 HydrophobicContact CB-CE1 3.63Å; A258-M274 HydrophobicContact CB-CE 4.4Å |
| 259 | I | 68.5 | Low | 68.7 | Low | 71 Ų | 71 | 81.2 Ų | 81.2 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67 | -41.6 | 174.8 | -67.2 | 166.6 | 0 | 0 | 0 | 111.1 | W172 L255 S256 E257 | W172-I259 HydrophobicContact CH2-CD1 4.34Å; W172-I259 HydrophobicContact CH2-CG1 4.12Å; W172-I259 HydrophobicContact CZ2-CD1 4.15Å; W172-I259 HydrophobicContact CZ2-CG1 4.44Å; L255-I259 HydrophobicContact CD2-CD1 4.22Å; L255-I259 HydrophobicContact CG-CD1 4.06Å; L255-I259 WeakPolarHBondContact O-CD1 3.46Å; L255-I259 WeakPolarHBondContact O-CG1 3.35Å; L255-I259 PolarHBondContact O-N 3.39Å; S256-I259 PolarHBondContact O-N 3.06Å; E257-I259 VanDerWaalsContact C-N 3.3Å; E257-I259 PolarHBondContact O-N 3.25Å |
| 260 | K | 66.6 | Low | 68.7 | Low | 156 Ų | 156 | 78.9 Ų | 78.9 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67.4 | -37.3 | 178.3 | -74.6 | 171.2 | -178.3 | 176.4 | 0 | 113.1 | S256 E257 Q262 | S256-K260 WeakPolarHBondContact O-CB 3.33Å; S256-K260 VanDerWaalsContact O-CG 3.25Å; S256-K260 WeakPolarHBondContact O-CG 3.44Å; S256-K260 PolarHBondContact O-N 2.93Å; E257-K260 PolarHBondContact O-N 3Å; K260-Q262 PolarHBondContact O-N 3.24Å |
| 261 | S | 59.8 | Low | 68.8 | Low | 83 Ų | 83 | 78.6 Ų | 78.6 | 58% | 0.58 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.5 | -173.3 | 69.7 | 0 | 0 | 0 | 0 | 115.3 | E257 A258 | E257-S261 WeakPolarHBondContact O-CB 3.49Å; E257-S261 PolarHBondContact O-N 3.41Å; E257-S261 PolarHBondContact O-OG 3.37Å; A258-S261 PolarHBondContact O-OG 3.46Å |
| 262 | Q | 54.4 | Low | 69.3 | Low | 78 Ų | 78 | 79 Ų | 79 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | trans | -135.6 | 69.1 | -174.5 | -70.7 | -153.7 | -18.9 | 0 | 0 | 113.8 | K260 H264 S265 E267 | K260-Q262 PolarHBondContact O-N 3.24Å; Q262-H264 PolarHBondContact O-N 3.47Å; Q262-S265 PolarHBondContact OE1-OG 2.92Å; Q262-E267 PolarHBondContact OE1-O 3.38Å | ||
| 263 | Q | 52.5 | Low | 69.8 | Low | 176 Ų | 176 | 76.9 Ų | 76.9 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -68 | -10.2 | 168.5 | -75.3 | -177.7 | -22.5 | 0 | 0 | 114 | ||
| 264 | H | 53.7 | Low | 70.2 | Confident | 192 Ų | 192 | 72.5 Ų | 72.5 | 89% | 0.889 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -117 | -7.7 | -173.9 | -66.9 | -57 | 0 | 0 | 0 | 116.2 | Q262 | Q262-H264 PolarHBondContact O-N 3.47Š|
| 265 | S | 57.1 | Low | 70.9 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 38% | 0.378 | 36% | 0.356 | S | S | . | . | trans | -111.9 | 135.4 | -177.6 | 166.8 | 0 | 0 | 0 | 0 | 111.2 | Q262 E267 | Q262-S265 PolarHBondContact OE1-OG 2.92Å; S265-E267 PolarHBondContact O-N 2.92Å; S265-E267 PolarHBondContact OG-N 3.14Å; S265-E267 VanDerWaalsContact OG-N 3.17Å; S265-E267 PolarHBondContact OG-O 2.91Å | ||
| 266 | K | 64.1 | Low | 71.7 | Confident | 184 Ų | 184 | 70.5 Ų | 70.5 | 80% | 0.8 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -75.8 | -5.3 | 175.9 | -68.9 | -178.8 | -179.9 | 174.2 | 0 | 113.2 | H185 | H185-K266 WeakPolarHBondContact CB-O 3.22Š|
| 267 | E | 71.5 | Confident | 72.4 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | trans | -141.5 | 128.3 | -165.7 | -68.6 | 170.4 | 179.3 | 0 | 0 | 111.4 | R175 V183 F184 H185 Q262 S265 | R175-E267 IonicContact CZ-OE1 3.4Å; R175-E267 IonicContact CZ-OE2 3.25Å; R175-E267 IonicContact NH1-OE1 2.75Å; R175-E267 PolarHBondContact NH1-OE1 2.95Å; R175-E267 IonicContact NH1-OE2 3.53Å; R175-E267 PolarHBondContact NH1-OE2 3.13Å; R175-E267 VanDerWaalsContact NH2-CD 3.28Å; R175-E267 IonicContact NH2-OE1 3.6Å; R175-E267 IonicContact NH2-OE2 2.69Å; R175-E267 PolarHBondContact NH2-OE2 3.21Å; V183-E267 HydrophobicContact CG1-CB 3.71Å; V183-E267 HydrophobicContact CG1-CG 4.21Å; F184-E267 CarbonylContact O-C 3.26Å; F184-E267 WeakPolarHBondContact O-CA 3.3Å; H185-E267 HydrophobicContact CB-CG 4.27Å; Q262-E267 PolarHBondContact OE1-O 3.38Å; S265-E267 PolarHBondContact O-N 2.92Å; S265-E267 PolarHBondContact OG-N 3.14Å; S265-E267 VanDerWaalsContact OG-N 3.17Å; S265-E267 PolarHBondContact OG-O 2.91Å | ||
| 268 | I | 74.2 | Confident | 73.3 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.5 | -176.6 | -53.2 | 179.6 | 0 | 0 | 0 | 109.1 | W172 V183 F184 A258 F270 | W172-I268 HydrophobicContact CH2-CD1 4Å; W172-I268 HydrophobicContact CZ3-CD1 3.76Å; V183-I268 CarbonylContact C-O 3.54Å; V183-I268 WeakPolarHBondContact CA-O 3.44Å; F184-I268 PolarHBondContact N-O 3.12Å; F184-I268 PolarHBondContact O-N 2.86Å; A258-I268 HydrophobicContact CB-CG2 4.36Å; I268-F270 HydrophobicContact CG2-CD1 3.98Å; I268-F270 HydrophobicContact CG2-CE1 3.59Å; I268-F270 HydrophobicContact CG2-CZ 4.01Å |
| 269 | C | 77.3 | Confident | 74.3 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.8 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | L182 V183 | L182-C269 WeakPolarHBondContact O-CA 3.33Å; V183-C269 HydrophobicContact CG2-CB 4.49Å |
| 270 | F | 77.1 | Confident | 75.2 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136.5 | 177.5 | -66.9 | -46.8 | 0 | 0 | 0 | 111.7 | L182 F184 L255 A258 I268 M274 I275 M278 | L182-F270 PolarHBondContact O-N 2.97Å; F184-F270 HydrophobicContact CB-CD2 4.49Å; F184-F270 HydrophobicContact CB-CE2 4.02Å; F184-F270 AromaticContact CD1-CD2 3.99Å; F184-F270 HydrophobicContact CD1-CD2 3.99Å; F184-F270 AromaticContact CD1-CE2 3.73Å; F184-F270 HydrophobicContact CD1-CE2 3.73Å; F184-F270 HydrophobicContact CD2-CB 4.38Å; F184-F270 AromaticContact CD2-CD2 3.18Å; F184-F270 HydrophobicContact CD2-CD2 3.18Å; F184-F270 AromaticContact CD2-CE2 3.57Å; F184-F270 HydrophobicContact CD2-CE2 3.57Å; F184-F270 AromaticContact CD2-CG 3.99Å; F184-F270 HydrophobicContact CD2-CG 3.99Å; F184-F270 AromaticContact CE1-CD2 3.92Å; F184-F270 HydrophobicContact CE1-CD2 3.92Å; F184-F270 HydrophobicContact CE1-CE2 4.02Å; F184-F270 HydrophobicContact CE2-CB 4Å; F184-F270 AromaticContact CE2-CD2 3.17Å; F184-F270 HydrophobicContact CE2-CD2 3.17Å; F184-F270 AromaticContact CE2-CE2 3.93Å; F184-F270 HydrophobicContact CE2-CE2 3.93Å; F184-F270 AromaticContact CE2-CG 3.96Å; F184-F270 HydrophobicContact CE2-CG 3.96Å; F184-F270 AromaticContact CG-CD2 3.63Å; F184-F270 HydrophobicContact CG-CD2 3.63Å; F184-F270 AromaticContact CG-CE2 3.49Å; F184-F270 HydrophobicContact CG-CE2 3.49Å; F184-F270 VanDerWaalsContact CG-CE2 3.49Å; F184-F270 AromaticContact CZ-CD2 3.54Å; F184-F270 HydrophobicContact CZ-CD2 3.54Å; F184-F270 HydrophobicContact CZ-CE2 4.12Å; L255-F270 HydrophobicContact CD1-CZ 4.23Å; A258-F270 HydrophobicContact CB-CD1 4.32Å; A258-F270 HydrophobicContact CB-CE1 3.63Å; I268-F270 HydrophobicContact CG2-CD1 3.98Å; I268-F270 HydrophobicContact CG2-CE1 3.59Å; I268-F270 HydrophobicContact CG2-CZ 4.01Å; F270-M274 HydrophobicContact CB-SD 4.22Å; F270-M274 HydrophobicContact CD1-CE 3.59Å; F270-M274 HydrophobicContact CD1-CG 4.48Å; F270-M274 HydrophobicContact CD1-SD 3.23Å; F270-M274 WeakPolarHBondContact CD1-SD 3.44Å; F270-M274 HydrophobicContact CE1-CE 3.36Å; F270-M274 HydrophobicContact CE1-SD 3.7Å; F270-M274 HydrophobicContact CG-CE 4.3Å; F270-M274 HydrophobicContact CG-SD 3.84Å; F270-M274 HydrophobicContact CZ-CE 3.96Å; F270-I275 HydrophobicContact CB-CD1 4.32Å; F270-I275 HydrophobicContact CB-CG1 4.15Å; F270-M278 HydrophobicContact CE2-CE 4.49Å |
| 271 | P | 81.5 | Confident | 76.1 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 155.5 | 172.5 | 29.3 | -33.5 | 0 | 0 | 0 | 111 | E273 M274 | P271-E273 PolarHBondContact O-N 3.09Å; P271-M274 HydrophobicContact CG-CB 4.09Å; P271-M274 PolarHBondContact O-N 3.04Å; P271-M274 VanDerWaalsContact O-N 3.15Å |
| 272 | P | 87.3 | Confident | 77.4 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.6 | -36.1 | -178.7 | -21.9 | 29.6 | 0 | 0 | 0 | 114 | P84 F86 M274 I275 R276 F312 T400 | P84-P272 WeakPolarHBondContact O-CB 3.21Å; P84-P272 WeakPolarHBondContact O-CG 3.15Å; F86-P272 HydrophobicContact CD1-CB 4.09Å; F86-P272 HydrophobicContact CD2-CB 4.45Å; F86-P272 HydrophobicContact CD2-CG 4.07Å; F86-P272 HydrophobicContact CE1-CB 3.72Å; F86-P272 HydrophobicContact CE1-CG 4.21Å; F86-P272 HydrophobicContact CE2-CB 4.11Å; F86-P272 HydrophobicContact CE2-CG 3.66Å; F86-P272 HydrophobicContact CG-CB 4.45Å; F86-P272 HydrophobicContact CZ-CB 3.72Å; F86-P272 HydrophobicContact CZ-CG 3.73Å; P272-M274 VanDerWaalsContact C-N 3.31Å; P272-M274 PolarHBondContact O-N 3.38Å; P272-I275 PolarHBondContact O-N 2.99Å; P272-R276 PolarHBondContact O-N 3.3Å; P272-F312 HydrophobicContact CB-CD1 4.29Å; P272-F312 HydrophobicContact CB-CE1 4.25Å; P272-F312 VanDerWaalsContact O-CE1 3.27Å; P272-F312 WeakPolarHBondContact O-CE1 3.47Å; P272-T400 HydrophobicContact CG-CG2 4.37Å |
| 273 | E | 86.3 | Confident | 78.9 | Confident | 78 Ų | 78 | 49.3 Ų | 49.3 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.5 | -43.3 | 178.3 | -175.8 | 171.9 | -162.9 | 0 | 0 | 112.2 | K83 P84 P271 I275 R276 V277 | K83-E273 WeakPolarHBondContact CD-OE2 3.44Å; K83-E273 IonicContact NZ-OE1 3.38Å; K83-E273 PolarHBondContact NZ-OE1 3.05Å; K83-E273 IonicContact NZ-OE2 3.71Å; K83-E273 PolarHBondContact NZ-OE2 2.77Å; P84-E273 HydrophobicContact CG-CB 3.93Å; P84-E273 HydrophobicContact CG-CG 4.49Å; P271-E273 PolarHBondContact O-N 3.09Å; E273-I275 PolarHBondContact O-N 2.88Å; E273-R276 PolarHBondContact O-N 3.06Å; E273-V277 WeakPolarHBondContact O-CG2 3.48Å; E273-V277 PolarHBondContact O-N 3.45Å |
| 274 | M | 85.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 179 | -174.9 | 167.7 | 178.1 | 0 | 0 | 111.7 | M254 L255 A258 F270 P271 P272 R276 V277 M278 | M254-M274 HydrophobicContact CB-CE 4.02Å; M254-M274 HydrophobicContact CB-CG 4.38Å; M254-M274 HydrophobicContact CB-SD 4.11Å; M254-M274 HydrophobicContact CE-CB 3.85Å; M254-M274 HydrophobicContact CE-CG 4.2Å; M254-M274 HydrophobicContact CE-SD 4.45Å; M254-M274 HydrophobicContact SD-CB 4.44Å; M254-M274 HydrophobicContact SD-CG 4.4Å; L255-M274 HydrophobicContact CB-CE 4.14Å; L255-M274 HydrophobicContact CD1-CE 4.02Å; A258-M274 HydrophobicContact CB-CE 4.4Å; F270-M274 HydrophobicContact CB-SD 4.22Å; F270-M274 HydrophobicContact CD1-CE 3.59Å; F270-M274 HydrophobicContact CD1-CG 4.48Å; F270-M274 HydrophobicContact CD1-SD 3.23Å; F270-M274 WeakPolarHBondContact CD1-SD 3.44Å; F270-M274 HydrophobicContact CE1-CE 3.36Å; F270-M274 HydrophobicContact CE1-SD 3.7Å; F270-M274 HydrophobicContact CG-CE 4.3Å; F270-M274 HydrophobicContact CG-SD 3.84Å; F270-M274 HydrophobicContact CZ-CE 3.96Å; P271-M274 HydrophobicContact CG-CB 4.09Å; P271-M274 PolarHBondContact O-N 3.04Å; P271-M274 VanDerWaalsContact O-N 3.15Å; P272-M274 VanDerWaalsContact C-N 3.31Å; P272-M274 PolarHBondContact O-N 3.38Å; M274-R276 VanDerWaalsContact C-N 3.32Å; M274-R276 PolarHBondContact O-N 3.17Å; M274-V277 PolarHBondContact O-N 2.92Å; M274-M278 HydrophobicContact CE-CE 3.54Å; M274-M278 HydrophobicContact CG-CE 3.98Å; M274-M278 WeakPolarHBondContact O-CG 3.37Å; M274-M278 PolarHBondContact O-N 3.11Å; M274-M278 VanDerWaalsContact O-N 3.09Å; M274-M278 HydrophobicContact SD-CE 4.49Å |
| 275 | I | 88.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.5 | -36.2 | 179.6 | -58 | -175.4 | 0 | 0 | 0 | 110.8 | F86 L94 V98 L182 F184 F270 P272 E273 M278 L279 F312 | F86-I275 HydrophobicContact CE1-CB 4.47Å; F86-I275 HydrophobicContact CE1-CD1 4.05Å; F86-I275 HydrophobicContact CZ-CD1 3.86Å; L94-I275 HydrophobicContact CD1-CG2 4.26Å; V98-I275 HydrophobicContact CG2-CG2 3.81Å; L182-I275 HydrophobicContact CB-CD1 3.93Å; L182-I275 HydrophobicContact CD1-CD1 3.32Å; L182-I275 HydrophobicContact CG-CD1 4.18Å; F184-I275 HydrophobicContact CE2-CD1 4.34Å; F184-I275 HydrophobicContact CZ-CD1 4.27Å; F270-I275 HydrophobicContact CB-CD1 4.32Å; F270-I275 HydrophobicContact CB-CG1 4.15Å; P272-I275 PolarHBondContact O-N 2.99Å; E273-I275 PolarHBondContact O-N 2.88Å; I275-M278 PolarHBondContact O-N 3.37Å; I275-L279 WeakPolarHBondContact O-CG 3.5Å; I275-L279 PolarHBondContact O-N 3.46Å; I275-F312 HydrophobicContact CB-CE1 4.48Å; I275-F312 HydrophobicContact CB-CZ 4.28Å; I275-F312 HydrophobicContact CG2-CZ 4.1Å |
| 276 | R | 89.7 | Confident | 82.9 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 174.1 | -174 | -175.1 | -83.3 | 178.2 | -11.5 | 111.2 | P84 P272 E273 M274 M278 L279 R280 D309 F312 D314 | P84-R276 VanDerWaalsContact CB-CZ 3.44Å; P272-R276 PolarHBondContact O-N 3.3Å; E273-R276 PolarHBondContact O-N 3.06Å; M274-R276 VanDerWaalsContact C-N 3.32Å; M274-R276 PolarHBondContact O-N 3.17Å; R276-M278 VanDerWaalsContact C-N 3.34Å; R276-M278 PolarHBondContact O-N 3.15Å; R276-L279 PolarHBondContact O-N 3.38Å; R276-R280 WeakPolarHBondContact O-CG 3.36Å; R276-R280 PolarHBondContact O-N 3.34Å; R276-D309 WeakPolarHBondContact CG-OD1 3.03Å; R276-F312 HydrophobicContact CB-CD1 4.31Å; R276-F312 HydrophobicContact CB-CD2 4.01Å; R276-F312 HydrophobicContact CB-CE1 3.93Å; R276-F312 HydrophobicContact CB-CE2 3.62Å; R276-F312 HydrophobicContact CB-CG 4.35Å; R276-F312 HydrophobicContact CB-CZ 3.58Å; R276-F312 HydrophobicContact CG-CD2 3.87Å; R276-F312 HydrophobicContact CG-CE2 3.81Å; R276-F312 HydrophobicContact CG-CG 4.41Å; R276-F312 HydrophobicContact CG-CZ 4.3Å; R276-F312 VanDerWaalsContact N-CZ 3.34Å; R276-D314 IonicContact CZ-OD1 3.45Å; R276-D314 VanDerWaalsContact CZ-OD1 3.22Å; R276-D314 IonicContact NH1-OD1 2.64Å; R276-D314 PolarHBondContact NH1-OD1 3.23Å; R276-D314 IonicContact NH1-OD2 2.69Å; R276-D314 IonicContact NH2-OD1 3.59Å; R276-D314 PolarHBondContact NH2-OD1 3.47Å; R276-D314 IonicContact NH2-OD2 3.81Å |
| 277 | V | 87.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 26.8 Ų | 26.8 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | N247 A251 E273 M274 L279 R280 C281 | N247-V277 HydrophobicContact CB-CG1 4.19Å; N247-V277 VanDerWaalsContact O-CG1 3.29Å; N247-V277 WeakPolarHBondContact O-CG1 3.43Å; A251-V277 HydrophobicContact CB-CG1 3.82Å; E273-V277 WeakPolarHBondContact O-CG2 3.48Å; E273-V277 PolarHBondContact O-N 3.45Å; M274-V277 PolarHBondContact O-N 2.92Å; V277-L279 VanDerWaalsContact C-N 3.34Å; V277-L279 PolarHBondContact O-N 3.35Å; V277-R280 WeakPolarHBondContact O-CB 3.26Å; V277-R280 PolarHBondContact O-N 3.32Å; V277-C281 PolarHBondContact O-N 2.87Å; V277-C281 VanDerWaalsContact O-N 3.12Å |
| 278 | M | 87.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.5 | -66.2 | 178.8 | 172.5 | 0 | 0 | 112.8 | F101 F103 F106 L255 F270 M274 I275 R276 R280 C281 L282 | F101-M278 HydrophobicContact CE2-CB 4.38Å; F101-M278 HydrophobicContact CZ-CB 4.01Å; F103-M278 HydrophobicContact CD1-CE 4.45Å; F103-M278 HydrophobicContact CD1-SD 3.87Å; F103-M278 HydrophobicContact CE1-SD 4.06Å; F106-M278 HydrophobicContact CE1-CB 4.13Å; F106-M278 HydrophobicContact CE1-CG 3.99Å; L255-M278 HydrophobicContact CD1-CE 3.68Å; F270-M278 HydrophobicContact CE2-CE 4.49Å; M274-M278 HydrophobicContact CE-CE 3.54Å; M274-M278 HydrophobicContact CG-CE 3.98Å; M274-M278 WeakPolarHBondContact O-CG 3.37Å; M274-M278 PolarHBondContact O-N 3.11Å; M274-M278 VanDerWaalsContact O-N 3.09Å; M274-M278 HydrophobicContact SD-CE 4.49Å; I275-M278 PolarHBondContact O-N 3.37Å; R276-M278 VanDerWaalsContact C-N 3.34Å; R276-M278 PolarHBondContact O-N 3.15Å; M278-R280 VanDerWaalsContact C-N 3.34Å; M278-C281 WeakPolarHBondContact O-CB 3.43Å; M278-C281 PolarHBondContact O-N 3.25Å; M278-L282 PolarHBondContact O-N 3.45Å |
| 279 | L | 88.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.1 | -30 | 177.6 | -74.6 | 178.5 | 0 | 0 | 0 | 113.3 | L94 I97 F101 I275 R276 V277 L282 W283 T308 F311 F312 | L94-L279 HydrophobicContact CD1-CD1 3.4Å; I97-L279 HydrophobicContact CG2-CD2 3.66Å; F101-L279 HydrophobicContact CE1-CD2 4Å; I275-L279 WeakPolarHBondContact O-CG 3.5Å; I275-L279 PolarHBondContact O-N 3.46Å; R276-L279 PolarHBondContact O-N 3.38Å; V277-L279 VanDerWaalsContact C-N 3.34Å; V277-L279 PolarHBondContact O-N 3.35Å; L279-L282 HydrophobicContact CD2-CD2 4.07Å; L279-L282 PolarHBondContact O-N 2.86Å; L279-W283 WeakPolarHBondContact O-CB 3.29Å; L279-W283 PolarHBondContact O-N 2.82Å; L279-T308 HydrophobicContact CB-CG2 4.44Å; L279-F311 HydrophobicContact CD1-CD2 4.17Å; L279-F312 HydrophobicContact CD1-CE2 3.84Å; L279-F312 HydrophobicContact CD1-CZ 4.08Å |
| 280 | R | 88.9 | Confident | 85.1 | Confident | 54 Ų | 54 | 22.6 Ų | 22.6 | 20% | 0.204 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.9 | -38.7 | 171.8 | -69.3 | 177.4 | 177 | -179.1 | -7.7 | 111.4 | R276 V277 M278 W283 A284 F306 D309 | R276-R280 WeakPolarHBondContact O-CG 3.36Å; R276-R280 PolarHBondContact O-N 3.34Å; V277-R280 WeakPolarHBondContact O-CB 3.26Å; V277-R280 PolarHBondContact O-N 3.32Å; M278-R280 VanDerWaalsContact C-N 3.34Å; R280-W283 PolarHBondContact O-N 3.31Å; R280-A284 PolarHBondContact O-N 3.37Å; R280-F306 HydrophobicContact CB-CD1 4.09Å; R280-F306 HydrophobicContact CB-CE1 4.31Å; R280-F306 HydrophobicContact CB-CG 4.4Å; R280-F306 HydrophobicContact CG-CB 3.99Å; R280-F306 HydrophobicContact CG-CD1 3.95Å; R280-F306 HydrophobicContact CG-CD2 4.15Å; R280-F306 HydrophobicContact CG-CG 3.76Å; R280-D309 IonicContact CZ-OD1 3.47Å; R280-D309 IonicContact CZ-OD2 2.66Å; R280-D309 IonicContact NE-OD1 3.36Å; R280-D309 PolarHBondContact NE-OD1 3Å; R280-D309 IonicContact NE-OD2 3.24Å; R280-D309 PolarHBondContact NE-OD2 3.06Å; R280-D309 IonicContact NH2-OD1 2.79Å; R280-D309 PolarHBondContact NH2-OD1 3.29Å; R280-D309 IonicContact NH2-OD2 3.08Å; R280-D309 PolarHBondContact NH2-OD2 3.41Å |
| 281 | C | 85.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 172 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | F106 V277 M278 W283 A284 | F106-C281 HydrophobicContact CB-CB 3.96Å; F106-C281 HydrophobicContact CD1-CB 3.91Å; F106-C281 HydrophobicContact CD2-CB 4.1Å; F106-C281 HydrophobicContact CE1-CB 4.47Å; F106-C281 HydrophobicContact CG-CB 3.71Å; V277-C281 PolarHBondContact O-N 2.87Å; V277-C281 VanDerWaalsContact O-N 3.12Å; M278-C281 WeakPolarHBondContact O-CB 3.43Å; M278-C281 PolarHBondContact O-N 3.25Å; C281-W283 PolarHBondContact O-N 2.77Å; C281-A284 PolarHBondContact O-N 3.18Å |
| 282 | L | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -44.7 | 175.1 | 178.4 | 66.8 | 0 | 0 | 0 | 112 | I97 F101 F106 L108 M278 L279 A284 H285 D286 L290 | I97-L282 HydrophobicContact CG2-CD2 3.71Å; F101-L282 HydrophobicContact CB-CD1 3.65Å; F101-L282 HydrophobicContact CB-CD2 4.28Å; F101-L282 HydrophobicContact CD1-CD1 4.43Å; F101-L282 HydrophobicContact CD1-CD2 3.62Å; F101-L282 HydrophobicContact CD1-CG 4.47Å; F101-L282 HydrophobicContact CE1-CD2 4.14Å; F101-L282 HydrophobicContact CG-CD1 4.04Å; F101-L282 HydrophobicContact CG-CD2 4.09Å; F106-L282 WeakPolarHBondContact O-CD1 3.28Å; L108-L282 HydrophobicContact CD2-CD1 4.43Å; L108-L282 HydrophobicContact CG-CD1 4.44Å; M278-L282 PolarHBondContact O-N 3.45Å; L279-L282 HydrophobicContact CD2-CD2 4.07Å; L279-L282 PolarHBondContact O-N 2.86Å; L282-A284 VanDerWaalsContact C-N 3.29Å; L282-A284 PolarHBondContact O-N 3.32Å; L282-H285 PolarHBondContact O-N 3.03Å; L282-H285 VanDerWaalsContact O-N 3.14Å; L282-D286 HydrophobicContact CD1-CB 4.41Å; L282-D286 PolarHBondContact O-N 2.86Å; L282-L290 HydrophobicContact CD2-CD1 4.03Å; L282-L290 HydrophobicContact CG-CD1 4.14Å |
| 283 | W | 86.6 | Confident | 85.4 | Confident | 34 Ų | 34 | 22.6 Ų | 22.6 | 13% | 0.129 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -38.3 | 179.8 | -179.7 | -99.3 | 0 | 0 | 0 | 112.6 | L279 R280 C281 H285 G287 L290 V291 L297 P307 T308 | L279-W283 WeakPolarHBondContact O-CB 3.29Å; L279-W283 PolarHBondContact O-N 2.82Å; R280-W283 PolarHBondContact O-N 3.31Å; C281-W283 PolarHBondContact O-N 2.77Å; W283-H285 PolarHBondContact O-N 3.42Å; W283-G287 VanDerWaalsContact O-CA 3.27Å; W283-G287 WeakPolarHBondContact O-CA 3.47Å; W283-G287 PolarHBondContact O-N 3.26Å; W283-L290 HydrophobicContact CE3-CB 4.41Å; W283-L290 HydrophobicContact CE3-CD1 4.09Å; W283-L290 HydrophobicContact CZ3-CB 4.13Å; W283-V291 HydrophobicContact CH2-CG2 3.48Å; W283-V291 VanDerWaalsContact CH2-CG2 3.48Å; W283-V291 HydrophobicContact CZ2-CG2 4.44Å; W283-V291 HydrophobicContact CZ3-CG2 4.06Å; W283-L297 HydrophobicContact CH2-CB 4.07Å; W283-L297 HydrophobicContact CZ3-CB 3.98Å; W283-L297 HydrophobicContact CZ3-CD1 3.84Å; W283-L297 HydrophobicContact CZ3-CG 4.42Å; W283-P307 HydrophobicContact CH2-CB 3.85Å; W283-P307 HydrophobicContact CH2-CG 3.79Å; W283-P307 HydrophobicContact CZ2-CB 3.97Å; W283-P307 HydrophobicContact CZ2-CG 3.43Å; W283-P307 VanDerWaalsContact CZ2-CG 3.43Å; W283-P307 HydrophobicContact CZ3-CB 4.24Å; W283-T308 HydrophobicContact CB-CG2 4.09Å; W283-T308 HydrophobicContact CD2-CG2 4.4Å; W283-T308 HydrophobicContact CE3-CG2 3.93Å; W283-T308 HydrophobicContact CG-CG2 4.49Å |
| 284 | A | 82.3 | Confident | 85.3 | Confident | 45 Ų | 45 | 19 Ų | 19 | 37% | 0.372 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -64.9 | -25.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y244 R280 C281 L282 | Y244-A284 HydrophobicContact CD2-CB 3.38Å; Y244-A284 HydrophobicContact CE2-CB 3.57Å; Y244-A284 HydrophobicContact CG-CB 4.33Å; R280-A284 PolarHBondContact O-N 3.37Å; C281-A284 PolarHBondContact O-N 3.18Å; L282-A284 VanDerWaalsContact C-N 3.29Å; L282-A284 PolarHBondContact O-N 3.32Å |
| 285 | H | 80.7 | Confident | 85.2 | Confident | 61 Ų | 61 | 19.5 Ų | 19.5 | 28% | 0.282 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -95.5 | -55.7 | 177.8 | -73.3 | -42.2 | 0 | 0 | 0 | 113.3 | R107 Y244 L282 W283 | R107-H285 HydrophobicContact CG-CB 4.1Å; Y244-H285 AromaticContact CZ-NE2 3.96Å; Y244-H285 PolarHBondContact OH-CE1 2.9Å; Y244-H285 VanDerWaalsContact OH-CE1 3.25Å; Y244-H285 PolarHBondContact OH-NE2 3.49Å; L282-H285 PolarHBondContact O-N 3.03Å; L282-H285 VanDerWaalsContact O-N 3.14Å; W283-H285 PolarHBondContact O-N 3.42Å |
| 286 | D | 82.8 | Confident | 85.1 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 11% | 0.107 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -113.8 | 21.1 | -168.3 | -66.7 | -29.9 | 0 | 0 | 0 | 112.8 | R107 L108 L282 D288 L289 L290 | R107-D286 VanDerWaalsContact CA-OD2 3.3Å; R107-D286 WeakPolarHBondContact CA-OD2 3Å; L108-D286 HydrophobicContact CD1-CB 4.21Å; L108-D286 HydrophobicContact CG-CB 4.26Å; L108-D286 PolarHBondContact N-OD2 2.91Å; L282-D286 HydrophobicContact CD1-CB 4.41Å; L282-D286 PolarHBondContact O-N 2.86Å; D286-D288 VanDerWaalsContact C-N 3.33Å; D286-D288 PolarHBondContact O-N 3.21Å; D286-L289 HydrophobicContact CB-CD1 4.36Å; D286-L289 PolarHBondContact O-N 2.7Å; D286-L289 VanDerWaalsContact O-N 3.11Å; D286-L290 PolarHBondContact O-N 3.3Å; D286-L290 VanDerWaalsContact O-N 3.1Å |
| 287 | G | 82.4 | Confident | 84.8 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55 | -41 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W283 L289 L290 V291 | W283-G287 VanDerWaalsContact O-CA 3.27Å; W283-G287 WeakPolarHBondContact O-CA 3.47Å; W283-G287 PolarHBondContact O-N 3.26Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 3.38Å; G287-L290 PolarHBondContact O-N 2.93Å; G287-V291 WeakPolarHBondContact O-CG2 3.38Å; G287-V291 PolarHBondContact O-N 3.41Å |
| 288 | D | 81.9 | Confident | 84.6 | Confident | 57 Ų | 57 | 22.7 Ų | 22.7 | 31% | 0.305 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -63.6 | -36 | 178.7 | -63.3 | -33.7 | 0 | 0 | 0 | 112.5 | K127 D286 L292 | K127-D288 IonicContact NZ-OD2 3.41Å; K127-D288 PolarHBondContact NZ-OD2 3.16Å; D286-D288 VanDerWaalsContact C-N 3.33Å; D286-D288 PolarHBondContact O-N 3.21Å; D288-L292 WeakPolarHBondContact O-CG 3.27Å; D288-L292 PolarHBondContact O-N 3.41Å |
| 289 | L | 84.9 | Confident | 84 | Confident | 3 Ų | 3 | 23.7 Ų | 23.7 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.6 | -40.1 | 175.5 | -60 | -179.8 | 0 | 0 | 0 | 110.9 | L108 L118 A123 K127 D286 G287 V291 L292 L293 | L108-L289 HydrophobicContact CD1-CB 4.43Å; L108-L289 HydrophobicContact CD1-CD1 4.12Å; L118-L289 HydrophobicContact CD1-CD2 4.27Å; A123-L289 HydrophobicContact CB-CD2 3.9Å; K127-L289 WeakPolarHBondContact O-CD1 3.38Å; D286-L289 HydrophobicContact CB-CD1 4.36Å; D286-L289 PolarHBondContact O-N 2.7Å; D286-L289 VanDerWaalsContact O-N 3.11Å; G287-L289 VanDerWaalsContact C-N 3.31Å; G287-L289 PolarHBondContact O-N 3.38Å; L289-V291 VanDerWaalsContact C-N 3.3Å; L289-V291 PolarHBondContact O-N 3.22Å; L289-L292 PolarHBondContact O-N 2.92Å; L289-L293 WeakPolarHBondContact O-CG 3.14Å; L289-L293 PolarHBondContact O-N 3.02Å; L289-L293 VanDerWaalsContact O-N 3.1Å |
| 290 | L | 84.1 | Confident | 83.6 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | 177.4 | -68.6 | 177.3 | 0 | 0 | 0 | 111.9 | L282 W283 D286 G287 L293 F294 L297 | L282-L290 HydrophobicContact CD2-CD1 4.03Å; L282-L290 HydrophobicContact CG-CD1 4.14Å; W283-L290 HydrophobicContact CE3-CB 4.41Å; W283-L290 HydrophobicContact CE3-CD1 4.09Å; W283-L290 HydrophobicContact CZ3-CB 4.13Å; D286-L290 PolarHBondContact O-N 3.3Å; D286-L290 VanDerWaalsContact O-N 3.1Å; G287-L290 PolarHBondContact O-N 2.93Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-F294 WeakPolarHBondContact O-CA 3.46Å; L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.09Å; L290-L297 HydrophobicContact CB-CD1 3.86Å |
| 291 | V | 85.6 | Confident | 83 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 13% | 0.133 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 173.9 | 165 | 0 | 0 | 0 | 0 | 112.1 | W283 G287 L289 F294 L297 Q298 | W283-V291 HydrophobicContact CH2-CG2 3.48Å; W283-V291 VanDerWaalsContact CH2-CG2 3.48Å; W283-V291 HydrophobicContact CZ2-CG2 4.44Å; W283-V291 HydrophobicContact CZ3-CG2 4.06Å; G287-V291 WeakPolarHBondContact O-CG2 3.38Å; G287-V291 PolarHBondContact O-N 3.41Å; L289-V291 VanDerWaalsContact C-N 3.3Å; L289-V291 PolarHBondContact O-N 3.22Å; V291-F294 CarbonylContact O-C 3.58Å; V291-F294 VanDerWaalsContact O-C 3.29Å; V291-L297 HydrophobicContact CG2-CB 4.31Å; V291-Q298 HydrophobicContact CG1-CB 3.95Å; V291-Q298 HydrophobicContact CG1-CG 4.45Å |
| 292 | L | 84.2 | Confident | 82.6 | Confident | 46 Ų | 46 | 34 Ų | 34 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | 178.4 | -69 | 172.4 | 0 | 0 | 0 | 112.3 | A123 R149 D288 L289 | A123-L292 HydrophobicContact CB-CD1 3.57Å; R149-L292 PolarHBondContact NE-O 3.47Å; D288-L292 WeakPolarHBondContact O-CG 3.27Å; D288-L292 PolarHBondContact O-N 3.41Å; L289-L292 PolarHBondContact O-N 2.92Å |
| 293 | L | 82.5 | Confident | 82 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.9 | -41.3 | 176.9 | -68.2 | 171.8 | 0 | 0 | 0 | 112.7 | L114 L118 A152 L156 L289 L290 | L114-L293 HydrophobicContact CD1-CD2 4.43Å; L118-L293 HydrophobicContact CD2-CD1 4.34Å; L118-L293 HydrophobicContact CD2-CD2 3.67Å; L118-L293 HydrophobicContact CD2-CG 3.78Å; A152-L293 HydrophobicContact CB-CD2 3.34Å; L156-L293 HydrophobicContact CD1-CD1 3.7Å; L289-L293 WeakPolarHBondContact O-CG 3.14Å; L289-L293 PolarHBondContact O-N 3.02Å; L289-L293 VanDerWaalsContact O-N 3.1Å; L290-L293 PolarHBondContact O-N 3.02Å |
| 294 | F | 84.8 | Confident | 81.4 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | -126.3 | 86.1 | -176.4 | -58 | -71.1 | 0 | 0 | 0 | 109.6 | V93 I97 I153 L156 L290 V291 M296 L297 | V93-F294 HydrophobicContact CG1-CD1 4.15Å; V93-F294 HydrophobicContact CG1-CE1 3.61Å; V93-F294 HydrophobicContact CG1-CZ 3.83Å; I97-F294 HydrophobicContact CD1-CD2 4.31Å; I97-F294 HydrophobicContact CD1-CE2 3.85Å; I97-F294 HydrophobicContact CD1-CZ 4.33Å; I97-F294 HydrophobicContact CG1-CE2 3.9Å; I97-F294 HydrophobicContact CG1-CZ 4.25Å; I153-F294 HydrophobicContact CD1-CD1 4.38Å; I153-F294 HydrophobicContact CD1-CE1 3.82Å; I153-F294 HydrophobicContact CD1-CZ 4.42Å; I153-F294 HydrophobicContact CG1-CE1 4.02Å; I153-F294 HydrophobicContact CG1-CZ 4.1Å; L156-F294 HydrophobicContact CD2-CE2 4.31Å; L156-F294 HydrophobicContact CD2-CZ 4.41Å; L290-F294 WeakPolarHBondContact O-CA 3.46Å; L290-F294 WeakPolarHBondContact O-CB 3.48Å; L290-F294 PolarHBondContact O-N 3.09Å; V291-F294 CarbonylContact O-C 3.58Å; V291-F294 VanDerWaalsContact O-C 3.29Å; F294-M296 HydrophobicContact CB-CE 4.18Å; F294-M296 HydrophobicContact CB-CG 4.18Å; F294-M296 HydrophobicContact CD1-CE 4.46Å; F294-M296 HydrophobicContact CG-CE 4.4Å; F294-M296 PolarHBondContact O-N 3.29Å; F294-L297 HydrophobicContact CB-CD1 3.97Å; F294-L297 HydrophobicContact CB-CG 4.07Å; F294-L297 HydrophobicContact CD2-CD1 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.24Å; F294-L297 PolarHBondContact O-N 3.01Å | ||
| 295 | P | 84.1 | Confident | 80.9 | Confident | 14 Ų | 14 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -29.8 | 178.3 | -29.6 | 35.1 | 0 | 0 | 0 | 114.3 | L297 Q298 A299 Q1739 D1741 | P295-L297 PolarHBondContact O-N 2.95Å; P295-L297 VanDerWaalsContact O-N 3.07Å; P295-Q298 WeakPolarHBondContact O-CA 3.02Å; P295-Q298 WeakPolarHBondContact O-CB 3.32Å; P295-Q298 PolarHBondContact O-N 2.98Å; P295-A299 PolarHBondContact O-N 3.23Å; P295-Q1739 VanDerWaalsContact CD-O 3.32Å; P295-Q1739 WeakPolarHBondContact CD-O 3.45Å; P295-D1741 HydrophobicContact CB-CB 4.37Å |
| 296 | M | 85.5 | Confident | 80.9 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.7 | -31.2 | 173.9 | 76.2 | -176.6 | -177.4 | 0 | 0 | 114 | F16 M90 V93 F294 Q298 A299 A300 F311 L1738 Q1739 | F16-M296 HydrophobicContact CE2-SD 4.22Å; M90-M296 HydrophobicContact CE-SD 4.47Å; V93-M296 HydrophobicContact CG1-CE 4.35Å; F294-M296 HydrophobicContact CB-CE 4.18Å; F294-M296 HydrophobicContact CB-CG 4.18Å; F294-M296 HydrophobicContact CD1-CE 4.46Å; F294-M296 HydrophobicContact CG-CE 4.4Å; F294-M296 PolarHBondContact O-N 3.29Å; M296-Q298 VanDerWaalsContact C-N 3.28Å; M296-Q298 PolarHBondContact O-N 3.43Å; M296-A299 PolarHBondContact O-N 3.15Å; M296-A300 WeakPolarHBondContact O-CB 3.44Å; M296-A300 PolarHBondContact O-N 2.85Å; M296-F311 HydrophobicContact CE-CE1 3.7Å; M296-F311 HydrophobicContact CE-CZ 3.45Å; M296-F311 VanDerWaalsContact CE-CZ 3.45Å; M296-L1738 WeakPolarHBondContact CB-O 3.23Å; M296-Q1739 PolarHBondContact N-O 3.19Å; M296-Q1739 HydrophobicContact SD-CG 4.19Å |
| 297 | L | 84.7 | Confident | 81 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.6 | -25.2 | 179.4 | -61.5 | 177.2 | 0 | 0 | 0 | 111.5 | W283 L290 V291 F294 P295 R301 P307 | W283-L297 HydrophobicContact CH2-CB 4.07Å; W283-L297 HydrophobicContact CZ3-CB 3.98Å; W283-L297 HydrophobicContact CZ3-CD1 3.84Å; W283-L297 HydrophobicContact CZ3-CG 4.42Å; L290-L297 HydrophobicContact CB-CD1 3.86Å; V291-L297 HydrophobicContact CG2-CB 4.31Å; F294-L297 HydrophobicContact CB-CD1 3.97Å; F294-L297 HydrophobicContact CB-CG 4.07Å; F294-L297 HydrophobicContact CD2-CD1 4.44Å; F294-L297 WeakPolarHBondContact O-CB 3.24Å; F294-L297 PolarHBondContact O-N 3.01Å; P295-L297 PolarHBondContact O-N 2.95Å; P295-L297 VanDerWaalsContact O-N 3.07Å; L297-R301 WeakPolarHBondContact O-CB 3.42Å; L297-R301 PolarHBondContact O-N 3.37Å; L297-P307 HydrophobicContact CB-CB 4.25Å; L297-P307 HydrophobicContact CD2-CB 4.08Å; L297-P307 WeakPolarHBondContact CD2-O 3.42Å |
| 298 | Q | 82.1 | Confident | 81.2 | Confident | 97 Ų | 97 | 39.4 Ų | 39.4 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 171.1 | -171.8 | 61.7 | 9.5 | 0 | 0 | 111.1 | V291 P295 M296 R301 | V291-Q298 HydrophobicContact CG1-CB 3.95Å; V291-Q298 HydrophobicContact CG1-CG 4.45Å; P295-Q298 WeakPolarHBondContact O-CA 3.02Å; P295-Q298 WeakPolarHBondContact O-CB 3.32Å; P295-Q298 PolarHBondContact O-N 2.98Å; M296-Q298 VanDerWaalsContact C-N 3.28Å; M296-Q298 PolarHBondContact O-N 3.43Å; Q298-R301 WeakPolarHBondContact O-CB 3.45Å; Q298-R301 PolarHBondContact O-N 3.44Å |
| 299 | A | 75.6 | Confident | 81.4 | Confident | 22 Ų | 22 | 37.6 Ų | 37.6 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | P295 M296 R301 L302 | P295-A299 PolarHBondContact O-N 3.23Å; M296-A299 PolarHBondContact O-N 3.15Å; A299-R301 PolarHBondContact O-N 3.48Å; A299-L302 WeakPolarHBondContact O-CB 3.47Å; A299-L302 PolarHBondContact O-N 3.08Å |
| 300 | A | 79.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 8% | 0.083 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -26.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M296 L302 N303 H304 P307 V310 | M296-A300 WeakPolarHBondContact O-CB 3.44Å; M296-A300 PolarHBondContact O-N 2.85Å; A300-L302 PolarHBondContact O-N 2.58Å; A300-N303 PolarHBondContact O-N 3.26Å; A300-H304 WeakPolarHBondContact O-CB 3.46Å; A300-H304 PolarHBondContact O-CD2 3Å; A300-H304 PolarHBondContact O-N 2.92Å; A300-P307 HydrophobicContact CB-CB 4.05Å; A300-V310 HydrophobicContact CB-CG2 3.82Å |
| 301 | R | 78.2 | Confident | 81.9 | Confident | 124 Ų | 124 | 37.9 Ų | 37.9 | 47% | 0.468 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.6 | 176.2 | -167.4 | 175.9 | 176.5 | 164.6 | 0.5 | 113.7 | L297 Q298 A299 P307 | L297-R301 WeakPolarHBondContact O-CB 3.42Å; L297-R301 PolarHBondContact O-N 3.37Å; Q298-R301 WeakPolarHBondContact O-CB 3.45Å; Q298-R301 PolarHBondContact O-N 3.44Å; A299-R301 PolarHBondContact O-N 3.48Å; R301-P307 HydrophobicContact CB-CG 3.98Å; R301-P307 HydrophobicContact CG-CG 4.36Å |
| 302 | L | 75.4 | Confident | 82.2 | Confident | 139 Ų | 139 | 37.3 Ų | 37.3 | 73% | 0.728 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.6 | 175.9 | -64.6 | 170.8 | 0 | 0 | 0 | 112.7 | A299 A300 | A299-L302 WeakPolarHBondContact O-CB 3.47Å; A299-L302 PolarHBondContact O-N 3.08Å; A300-L302 PolarHBondContact O-N 2.58Å |
| 303 | N | 73.6 | Confident | 82.5 | Confident | 81 Ų | 81 | 37.4 Ų | 37.4 | 43% | 0.433 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -17.8 | -168.7 | -71.8 | -9 | 0 | 0 | 0 | 114.2 | E21 A300 | E21-N303 PolarHBondContact OE1-ND2 2.96Å; A300-N303 PolarHBondContact O-N 3.26Å |
| 304 | H | 74 | Confident | 82.9 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | trans | -120.8 | 138.4 | -176.4 | -64.8 | -97 | 0 | 0 | 0 | 111.3 | S18 A300 F306 | S18-H304 VanDerWaalsContact CB-CE1 3.46Å; S18-H304 WeakPolarHBondContact CB-CE1 3.49Å; A300-H304 WeakPolarHBondContact O-CB 3.46Å; A300-H304 PolarHBondContact O-CD2 3Å; A300-H304 PolarHBondContact O-N 2.92Å; H304-F306 VanDerWaalsContact C-N 3.33Å | ||
| 305 | T | 72.9 | Confident | 83.2 | Confident | 126 Ų | 126 | 39.5 Ų | 39.5 | 77% | 0.773 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -63.9 | -40.2 | 169.7 | 48.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 306 | F | 80.7 | Confident | 83.6 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 17% | 0.167 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -120 | 103.8 | 170.6 | -62.9 | -78.2 | 0 | 0 | 0 | 109.8 | V243 R280 H304 T308 D309 | V243-F306 HydrophobicContact CG1-CE2 3.98Å; V243-F306 HydrophobicContact CG1-CZ 3.68Å; R280-F306 HydrophobicContact CB-CD1 4.09Å; R280-F306 HydrophobicContact CB-CE1 4.31Å; R280-F306 HydrophobicContact CB-CG 4.4Å; R280-F306 HydrophobicContact CG-CB 3.99Å; R280-F306 HydrophobicContact CG-CD1 3.95Å; R280-F306 HydrophobicContact CG-CD2 4.15Å; R280-F306 HydrophobicContact CG-CG 3.76Å; H304-F306 VanDerWaalsContact C-N 3.33Å; F306-T308 PolarHBondContact O-N 3.26Å; F306-D309 WeakPolarHBondContact O-CB 3.36Å; F306-D309 PolarHBondContact O-N 3.4Å |
| 307 | P | 83.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -56.5 | -23.1 | 179.5 | -33.5 | 41.8 | 0 | 0 | 0 | 115.3 | W283 L297 A300 R301 D309 V310 | W283-P307 HydrophobicContact CH2-CB 3.85Å; W283-P307 HydrophobicContact CH2-CG 3.79Å; W283-P307 HydrophobicContact CZ2-CB 3.97Å; W283-P307 HydrophobicContact CZ2-CG 3.43Å; W283-P307 VanDerWaalsContact CZ2-CG 3.43Å; W283-P307 HydrophobicContact CZ3-CB 4.24Å; L297-P307 HydrophobicContact CB-CB 4.25Å; L297-P307 HydrophobicContact CD2-CB 4.08Å; L297-P307 WeakPolarHBondContact CD2-O 3.42Å; A300-P307 HydrophobicContact CB-CB 4.05Å; R301-P307 HydrophobicContact CB-CG 3.98Å; R301-P307 HydrophobicContact CG-CG 4.36Å; P307-D309 PolarHBondContact O-N 3.24Å; P307-V310 WeakPolarHBondContact O-CG2 3.32Å; P307-V310 PolarHBondContact O-N 2.82Å |
| 308 | T | 86.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -68.7 | -12.6 | 175.2 | 50.2 | 0 | 0 | 0 | 0 | 113.6 | L279 W283 F306 V310 F311 | L279-T308 HydrophobicContact CB-CG2 4.44Å; W283-T308 HydrophobicContact CB-CG2 4.09Å; W283-T308 HydrophobicContact CD2-CG2 4.4Å; W283-T308 HydrophobicContact CE3-CG2 3.93Å; W283-T308 HydrophobicContact CG-CG2 4.49Å; F306-T308 PolarHBondContact O-N 3.26Å; T308-V310 PolarHBondContact O-N 3.23Å; T308-F311 WeakPolarHBondContact O-CD2 3.41Å; T308-F311 PolarHBondContact O-N 3.32Å |
| 309 | D | 87.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 10% | 0.096 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -68.2 | -15.7 | 177.8 | -72 | -16.2 | 0 | 0 | 0 | 112.8 | R276 R280 F306 P307 F311 F312 | R276-D309 WeakPolarHBondContact CG-OD1 3.03Å; R280-D309 IonicContact CZ-OD1 3.47Å; R280-D309 IonicContact CZ-OD2 2.66Å; R280-D309 IonicContact NE-OD1 3.36Å; R280-D309 PolarHBondContact NE-OD1 3Å; R280-D309 IonicContact NE-OD2 3.24Å; R280-D309 PolarHBondContact NE-OD2 3.06Å; R280-D309 IonicContact NH2-OD1 2.79Å; R280-D309 PolarHBondContact NH2-OD1 3.29Å; R280-D309 IonicContact NH2-OD2 3.08Å; R280-D309 PolarHBondContact NH2-OD2 3.41Å; F306-D309 WeakPolarHBondContact O-CB 3.36Å; F306-D309 PolarHBondContact O-N 3.4Å; P307-D309 PolarHBondContact O-N 3.24Å; D309-F311 PolarHBondContact O-N 3.3Å; D309-F311 VanDerWaalsContact O-N 3.13Å; D309-F312 PolarHBondContact O-N 3.05Å |
| 310 | V | 87.9 | Confident | 85.4 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -58.1 | -24.1 | 175 | 174.3 | 0 | 0 | 0 | 0 | 113.2 | F16 N87 A300 P307 T308 F312 | F16-V310 HydrophobicContact CB-CG1 4.05Å; F16-V310 HydrophobicContact CD1-CG1 3.77Å; F16-V310 HydrophobicContact CD2-CG1 3.44Å; F16-V310 VanDerWaalsContact CD2-CG1 3.44Å; F16-V310 HydrophobicContact CE1-CG1 3.98Å; F16-V310 HydrophobicContact CE2-CG1 3.66Å; F16-V310 HydrophobicContact CG-CG1 3.47Å; F16-V310 VanDerWaalsContact CG-CG1 3.47Å; F16-V310 HydrophobicContact CZ-CG1 3.89Å; N87-V310 PolarHBondContact ND2-O 3.38Å; A300-V310 HydrophobicContact CB-CG2 3.82Å; P307-V310 WeakPolarHBondContact O-CG2 3.32Å; P307-V310 PolarHBondContact O-N 2.82Å; T308-V310 PolarHBondContact O-N 3.23Å; V310-F312 PolarHBondContact O-N 3.1Å |
| 311 | F | 90.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -73.9 | -3.9 | 176.3 | -62.8 | -60.8 | 0 | 0 | 0 | 114 | N87 M90 V93 L94 I97 L279 M296 T308 D309 | N87-F311 WeakPolarHBondContact CB-O 3.48Å; N87-F311 PolarHBondContact N-O 3.35Å; M90-F311 HydrophobicContact CB-CD1 3.78Å; M90-F311 HydrophobicContact CB-CE1 4.08Å; V93-F311 HydrophobicContact CB-CE1 3.94Å; V93-F311 HydrophobicContact CG1-CE1 3.82Å; V93-F311 HydrophobicContact CG1-CZ 3.98Å; L94-F311 HydrophobicContact CB-CB 4.24Å; L94-F311 HydrophobicContact CB-CD1 3.95Å; L94-F311 HydrophobicContact CB-CG 4.12Å; L94-F311 HydrophobicContact CD1-CB 4.01Å; L94-F311 HydrophobicContact CD1-CD2 4.47Å; L94-F311 HydrophobicContact CD1-CG 4.22Å; L94-F311 HydrophobicContact CD2-CB 4.4Å; L94-F311 HydrophobicContact CG-CB 4.45Å; I97-F311 HydrophobicContact CD1-CE1 4.44Å; I97-F311 HydrophobicContact CD1-CE2 3.71Å; I97-F311 HydrophobicContact CD1-CZ 3.5Å; L279-F311 HydrophobicContact CD1-CD2 4.17Å; M296-F311 HydrophobicContact CE-CE1 3.7Å; M296-F311 HydrophobicContact CE-CZ 3.45Å; M296-F311 VanDerWaalsContact CE-CZ 3.45Å; T308-F311 WeakPolarHBondContact O-CD2 3.41Å; T308-F311 PolarHBondContact O-N 3.32Å; D309-F311 PolarHBondContact O-N 3.3Å; D309-F311 VanDerWaalsContact O-N 3.13Å |
| 312 | F | 92 | Very high | 86.3 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 160.4 | -176.1 | -55.8 | -89.2 | 0 | 0 | 0 | 110.7 | V85 F86 L94 P272 I275 R276 L279 D309 V310 | V85-F312 CarbonylContact O-C 3.55Å; V85-F312 VanDerWaalsContact O-CA 3.26Å; V85-F312 WeakPolarHBondContact O-CA 3.5Å; F86-F312 AromaticContact CD1-CD1 3.98Å; F86-F312 HydrophobicContact CD1-CD1 3.98Å; F86-F312 AromaticContact CD1-CE1 3.69Å; F86-F312 HydrophobicContact CD1-CE1 3.69Å; F86-F312 HydrophobicContact CE1-CD1 4.38Å; F86-F312 AromaticContact CE1-CE1 3.7Å; F86-F312 HydrophobicContact CE1-CE1 3.7Å; L94-F312 HydrophobicContact CD1-CZ 4.37Å; P272-F312 HydrophobicContact CB-CD1 4.29Å; P272-F312 HydrophobicContact CB-CE1 4.25Å; P272-F312 VanDerWaalsContact O-CE1 3.27Å; P272-F312 WeakPolarHBondContact O-CE1 3.47Å; I275-F312 HydrophobicContact CB-CE1 4.48Å; I275-F312 HydrophobicContact CB-CZ 4.28Å; I275-F312 HydrophobicContact CG2-CZ 4.1Å; R276-F312 HydrophobicContact CB-CD1 4.31Å; R276-F312 HydrophobicContact CB-CD2 4.01Å; R276-F312 HydrophobicContact CB-CE1 3.93Å; R276-F312 HydrophobicContact CB-CE2 3.62Å; R276-F312 HydrophobicContact CB-CG 4.35Å; R276-F312 HydrophobicContact CB-CZ 3.58Å; R276-F312 HydrophobicContact CG-CD2 3.87Å; R276-F312 HydrophobicContact CG-CE2 3.81Å; R276-F312 HydrophobicContact CG-CG 4.41Å; R276-F312 HydrophobicContact CG-CZ 4.3Å; R276-F312 VanDerWaalsContact N-CZ 3.34Å; L279-F312 HydrophobicContact CD1-CE2 3.84Å; L279-F312 HydrophobicContact CD1-CZ 4.08Å; D309-F312 PolarHBondContact O-N 3.05Å; V310-F312 PolarHBondContact O-N 3.1Å |
| 313 | M | 91.1 | Very high | 86.8 | Confident | 48 Ų | 48 | 31.2 Ų | 31.2 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.2 | 178.1 | -58.3 | -179.6 | 74.8 | 0 | 0 | 109.3 | V85 N87 V316 | V85-M313 PolarHBondContact N-O 3.38Å; V85-M313 VanDerWaalsContact N-O 3.14Å; V85-M313 PolarHBondContact O-N 3.13Å; N87-M313 HydrophobicContact CB-CG 4.05Å; N87-M313 HydrophobicContact CB-SD 4.35Å; M313-V316 HydrophobicContact CE-CG2 3.7Å |
| 314 | D | 91 | Very high | 87.5 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -24.6 | 170.5 | -56 | -45.4 | 0 | 0 | 0 | 111.5 | S19 F81 R276 | S19-D314 PolarHBondContact OG-OD2 3.28Å; F81-D314 WeakPolarHBondContact CB-O 3.21Å; F81-D314 PolarHBondContact N-O 3.48Å; R276-D314 IonicContact CZ-OD1 3.45Å; R276-D314 VanDerWaalsContact CZ-OD1 3.22Å; R276-D314 IonicContact NH1-OD1 2.64Å; R276-D314 PolarHBondContact NH1-OD1 3.23Å; R276-D314 IonicContact NH1-OD2 2.69Å; R276-D314 IonicContact NH2-OD1 3.59Å; R276-D314 PolarHBondContact NH2-OD1 3.47Å; R276-D314 IonicContact NH2-OD2 3.81Å |
| 315 | N | 91.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156.6 | 178.3 | 52.7 | 21.4 | 0 | 0 | 0 | 110.7 | S19 V22 I79 | S19-N315 PolarHBondContact O-ND2 2.97Å; V22-N315 HydrophobicContact CG1-CB 4.37Å; I79-N315 CarbonylContact O-C 3.59Å; I79-N315 WeakPolarHBondContact O-CA 3.26Å; I79-N315 WeakPolarHBondContact O-CB 3.38Å |
| 316 | V | 91.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.3 | 173.5 | 168.3 | 0 | 0 | 0 | 0 | 108.1 | H78 I79 F81 M313 Y342 I410 | H78-V316 CarbonylContact C-O 3.49Å; H78-V316 VanDerWaalsContact CA-O 3.29Å; H78-V316 WeakPolarHBondContact CA-O 3.46Å; I79-V316 PolarHBondContact N-O 3.19Å; I79-V316 PolarHBondContact O-N 3Å; F81-V316 HydrophobicContact CE2-CG2 3.57Å; F81-V316 HydrophobicContact CZ-CB 4.2Å; F81-V316 HydrophobicContact CZ-CG2 3.47Å; F81-V316 VanDerWaalsContact CZ-CG2 3.47Å; M313-V316 HydrophobicContact CE-CG2 3.7Å; V316-Y342 HydrophobicContact CG1-CE1 3.89Å; V316-I410 HydrophobicContact CG1-CD1 3.78Å; V316-I410 HydrophobicContact CG2-CD1 4.25Å |
| 317 | L | 91.5 | Very high | 88.6 | Confident | 49 Ų | 49 | 30.3 Ų | 30.3 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.8 | 172.1 | -166.1 | 74.2 | 0 | 0 | 0 | 109.3 | V22 C76 G77 Y342 | V22-L317 HydrophobicContact CG1-CB 4.23Å; V22-L317 HydrophobicContact CG1-CD1 3.87Å; C76-L317 HydrophobicContact CB-CD1 3.87Å; C76-L317 HydrophobicContact CB-CD2 4.48Å; C76-L317 HydrophobicContact CB-CG 4.17Å; G77-L317 WeakPolarHBondContact O-CD1 3.49Å; L317-Y342 PolarHBondContact O-OH 3.13Å |
| 318 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.6 | 175.8 | -177.6 | 74 | 0 | 0 | 0 | 109 | V30 L48 F53 C76 G77 Y342 | V30-L318 HydrophobicContact CG2-CD2 3.71Å; L48-L318 HydrophobicContact CD2-CD1 3.66Å; L48-L318 HydrophobicContact CD2-CD2 4.09Å; F53-L318 HydrophobicContact CD2-CD2 3.91Å; F53-L318 HydrophobicContact CE2-CD2 3.65Å; F53-L318 HydrophobicContact CZ-CD2 4.16Å; C76-L318 WeakPolarHBondContact CA-O 3.36Å; G77-L318 PolarHBondContact N-O 3.45Å; G77-L318 VanDerWaalsContact N-O 3.1Å; G77-L318 PolarHBondContact O-N 3.06Å; L318-Y342 HydrophobicContact CD1-CD1 3.88Å; L318-Y342 HydrophobicContact CD1-CD2 3.48Å; L318-Y342 VanDerWaalsContact CD1-CD2 3.48Å; L318-Y342 HydrophobicContact CD1-CE1 3.98Å; L318-Y342 HydrophobicContact CD1-CE2 3.58Å; L318-Y342 HydrophobicContact CD1-CG 3.64Å |
| 319 | S | 90.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 146.2 | 173.8 | 55.7 | 0 | 0 | 0 | 0 | 111.6 | R324 E338 | S319-R324 PolarHBondContact O-NE 2.95Å; S319-R324 PolarHBondContact O-NH2 3.01Å; S319-R324 WeakPolarHBondContact OG-CD 3.48Å; S319-R324 WeakPolarHBondContact OG-CG 3.46Å; S319-R324 PolarHBondContact OG-NE 3.28Å; S319-R324 VanDerWaalsContact OG-NE 3.12Å; S319-E338 WeakPolarHBondContact CB-OE1 3.44Å; S319-E338 PolarHBondContact OG-OE1 2.94Å |
| 320 | P | 91.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 13% | 0.13 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 156 | 177.5 | -26.8 | 35.1 | 0 | 0 | 0 | 113.2 | L322 C323 | P320-L322 PolarHBondContact O-N 3.42Å; P320-L322 VanDerWaalsContact O-N 3.1Å; P320-C323 PolarHBondContact O-N 3.23Å |
| 321 | S | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -55.7 | -31.5 | 177.6 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | F53 C323 R324 W325 | F53-S321 PolarHBondContact O-N 3.5Å; S321-C323 VanDerWaalsContact C-N 3.28Å; S321-C323 PolarHBondContact O-N 3.37Å; S321-R324 CarbonylContact O-C 3.33Å; S321-R324 PolarHBondContact O-N 3.02Å; S321-R324 VanDerWaalsContact O-N 3.08Å; S321-W325 PolarHBondContact O-N 3.25Å |
| 322 | L | 87.7 | Confident | 87.7 | Confident | 77 Ų | 77 | 56.3 Ų | 56.3 | 40% | 0.403 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -54.6 | -38.8 | 176.3 | -171 | 76.4 | 0 | 0 | 0 | 113.4 | P320 R324 W325 | P320-L322 PolarHBondContact O-N 3.42Å; P320-L322 VanDerWaalsContact O-N 3.1Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3.3Å; L322-W325 HydrophobicContact CD1-CH2 3.72Å; L322-W325 HydrophobicContact CD1-CZ2 3.19Å; L322-W325 HydrophobicContact CG-CZ2 4.35Å |
| 323 | C | 86.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -82.1 | -9.6 | -177.7 | -59 | 0 | 0 | 0 | 0 | 113.2 | P320 S321 | P320-C323 PolarHBondContact O-N 3.23Å; S321-C323 VanDerWaalsContact C-N 3.28Å; S321-C323 PolarHBondContact O-N 3.37Å |
| 324 | R | 88.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -126.7 | 30.7 | -170.4 | -67.5 | -170.7 | -71 | 108.1 | 3.3 | 112.8 | L48 H49 S319 S321 L322 H336 E338 T339 | L48-R324 PolarHBondContact O-NH1 3.17Å; L48-R324 PolarHBondContact O-NH2 3.17Å; H49-R324 PolarHBondContact CE1-O 2.76Å; H49-R324 VanDerWaalsContact CE1-O 3.23Å; S319-R324 PolarHBondContact O-NE 2.95Å; S319-R324 PolarHBondContact O-NH2 3.01Å; S319-R324 WeakPolarHBondContact OG-CD 3.48Å; S319-R324 WeakPolarHBondContact OG-CG 3.46Å; S319-R324 PolarHBondContact OG-NE 3.28Å; S319-R324 VanDerWaalsContact OG-NE 3.12Å; S321-R324 CarbonylContact O-C 3.33Å; S321-R324 PolarHBondContact O-N 3.02Å; S321-R324 VanDerWaalsContact O-N 3.08Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-R324 PolarHBondContact O-N 3.3Å; R324-H336 HydrophobicContact CB-CB 4.48Å; R324-H336 WeakPolarHBondContact O-CB 3.29Å; R324-E338 HydrophobicContact CG-CB 4.18Å; R324-E338 HydrophobicContact CG-CG 4.23Å; R324-T339 PolarHBondContact NH1-OG1 3.35Å |
| 325 | W | 82.8 | Confident | 86.4 | Confident | 99 Ų | 99 | 66 Ų | 66 | 38% | 0.375 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 141.5 | -179.5 | -74.8 | -16.4 | 0 | 0 | 0 | 113 | F69 S321 L322 R327 H336 | F69-W325 HydrophobicContact CD2-CZ2 4.34Å; F69-W325 HydrophobicContact CE1-CH2 4.16Å; F69-W325 HydrophobicContact CE1-CZ2 4.22Å; F69-W325 AromaticContact CE2-CE2 3.83Å; F69-W325 AromaticContact CE2-CH2 3.99Å; F69-W325 HydrophobicContact CE2-CH2 3.99Å; F69-W325 AromaticContact CE2-CZ2 3.28Å; F69-W325 HydrophobicContact CE2-CZ2 3.28Å; F69-W325 AromaticContact CZ-CH2 3.4Å; F69-W325 HydrophobicContact CZ-CH2 3.4Å; F69-W325 AromaticContact CZ-CZ2 3.21Å; F69-W325 HydrophobicContact CZ-CZ2 3.21Å; F69-W325 HydrophobicContact CZ-CZ3 4.3Å; S321-W325 PolarHBondContact O-N 3.25Å; L322-W325 HydrophobicContact CD1-CH2 3.72Å; L322-W325 HydrophobicContact CD1-CZ2 3.19Å; L322-W325 HydrophobicContact CG-CZ2 4.35Å; W325-R327 PolarHBondContact O-N 3.05Å; W325-H336 WeakPolarHBondContact O-CB 3.48Å; W325-H336 PolarHBondContact O-CD2 3.49Å |
| 326 | P | 84.4 | Confident | 86.1 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 133.2 | 170.2 | -24.1 | 34 | 0 | 0 | 0 | 111.4 | F36 H328 V333 Y334 | F36-P326 HydrophobicContact CE1-CG 4.34Å; F36-P326 HydrophobicContact CE2-CG 4.43Å; F36-P326 HydrophobicContact CZ-CG 3.67Å; P326-H328 PolarHBondContact O-ND1 2.93Å; P326-H328 VanDerWaalsContact O-ND1 3.09Å; P326-V333 HydrophobicContact CB-CG1 3.47Å; P326-V333 VanDerWaalsContact CB-CG1 3.47Å; P326-V333 HydrophobicContact CG-CG1 4.48Å; P326-Y334 CarbonylContact C-O 3.59Å; P326-Y334 WeakPolarHBondContact CA-O 3.16Å |
| 327 | R | 83.3 | Confident | 85.8 | Confident | 140 Ų | 140 | 67.5 Ų | 67.5 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.5 | 177.4 | -68.1 | -174.3 | 177.9 | -174.8 | -1.4 | 109.2 | W325 Y334 | W325-R327 PolarHBondContact O-N 3.05Å; R327-Y334 PolarHBondContact N-O 2.92Å; R327-Y334 PolarHBondContact O-N 2.88Å |
| 328 | H | 81.5 | Confident | 85.6 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 61% | 0.611 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 118.4 | 176.4 | -63.6 | 69.6 | 0 | 0 | 0 | 108.3 | P326 L332 | P326-H328 PolarHBondContact O-ND1 2.93Å; P326-H328 VanDerWaalsContact O-ND1 3.09Å; H328-L332 WeakPolarHBondContact CA-O 3.04Å |
| 329 | V | 82.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 104.9 | 173.8 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | N331 L332 Y334 | V329-N331 PolarHBondContact O-N 3.45Å; V329-L332 PolarHBondContact N-O 2.95Å; V329-L332 PolarHBondContact O-N 3.31Å; V329-L332 VanDerWaalsContact O-N 3.12Å; V329-Y334 HydrophobicContact CB-CD2 4.24Å; V329-Y334 HydrophobicContact CB-CE2 4.08Å; V329-Y334 HydrophobicContact CG2-CD2 4.11Å; V329-Y334 HydrophobicContact CG2-CE2 4.33Å |
| 330 | G | 86.5 | Confident | 85.3 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 73% | 0.732 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -121.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 331 | N | 83.1 | Confident | 85.1 | Confident | 170 Ų | 170 | 66.5 Ų | 66.5 | 91% | 0.909 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4 | 176.9 | -66.9 | -17.6 | 0 | 0 | 0 | 113.7 | V329 | V329-N331 PolarHBondContact O-N 3.45Š|
| 332 | L | 84.5 | Confident | 85.2 | Confident | 108 Ų | 108 | 67.3 Ų | 67.3 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 134.1 | -179.1 | -67.1 | 172.1 | 0 | 0 | 0 | 110.5 | H328 V329 Y334 | H328-L332 WeakPolarHBondContact CA-O 3.04Å; V329-L332 PolarHBondContact N-O 2.95Å; V329-L332 PolarHBondContact O-N 3.31Å; V329-L332 VanDerWaalsContact O-N 3.12Å; L332-Y334 HydrophobicContact CB-CD2 4.37Å; L332-Y334 HydrophobicContact CB-CE2 3.72Å; L332-Y334 HydrophobicContact CD1-CE2 4.42Å |
| 333 | V | 81.2 | Confident | 85.3 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117 | 178 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | P326 | P326-V333 HydrophobicContact CB-CG1 3.47Å; P326-V333 VanDerWaalsContact CB-CG1 3.47Å; P326-V333 HydrophobicContact CG-CG1 4.48Å |
| 334 | Y | 81.9 | Confident | 85.3 | Confident | 129 Ų | 129 | 67.5 Ų | 67.5 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.3 | 175.3 | -68.5 | -87.9 | 0 | 0 | 0 | 110.3 | P326 R327 V329 L332 | P326-Y334 CarbonylContact C-O 3.59Å; P326-Y334 WeakPolarHBondContact CA-O 3.16Å; R327-Y334 PolarHBondContact N-O 2.92Å; R327-Y334 PolarHBondContact O-N 2.88Å; V329-Y334 HydrophobicContact CB-CD2 4.24Å; V329-Y334 HydrophobicContact CB-CE2 4.08Å; V329-Y334 HydrophobicContact CG2-CD2 4.11Å; V329-Y334 HydrophobicContact CG2-CE2 4.33Å; L332-Y334 HydrophobicContact CB-CD2 4.37Å; L332-Y334 HydrophobicContact CB-CE2 3.72Å; L332-Y334 HydrophobicContact CD1-CE2 4.42Å |
| 335 | E | 82.4 | Confident | 85.4 | Confident | 83 Ų | 83 | 67.5 Ų | 67.5 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.5 | 173.2 | -169.6 | 175.6 | -171.6 | 0 | 0 | 110.7 | T339 | E335-T339 HydrophobicContact CG-CG2 4.12Å; E335-T339 WeakPolarHBondContact OE1-CB 3.44Å; E335-T339 WeakPolarHBondContact OE1-CG2 3.17Å |
| 336 | H | 87 | Confident | 85.8 | Confident | 19 Ų | 19 | 63 Ų | 63 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 137.9 | 176 | -166.3 | -97.9 | 0 | 0 | 0 | 110.3 | R324 W325 E338 T339 A340 | R324-H336 HydrophobicContact CB-CB 4.48Å; R324-H336 WeakPolarHBondContact O-CB 3.29Å; W325-H336 WeakPolarHBondContact O-CB 3.48Å; W325-H336 PolarHBondContact O-CD2 3.49Å; H336-E338 IonicContact CE1-OE2 2.7Å; H336-E338 VanDerWaalsContact ND1-CB 3.26Å; H336-E338 WeakPolarHBondContact ND1-CB 3.38Å; H336-E338 PolarHBondContact ND1-N 3.2Å; H336-E338 PolarHBondContact O-N 3.26Å; H336-E338 VanDerWaalsContact O-N 3.11Å; H336-T339 PolarHBondContact O-N 3.23Å; H336-A340 PolarHBondContact O-N 2.89Å; H336-A340 VanDerWaalsContact O-N 3.09Å |
| 337 | P | 85.2 | Confident | 86.1 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.5 | -35.5 | -179.2 | -28.1 | 34.3 | 0 | 0 | 0 | 113.9 | A340 V341 L435 | P337-A340 PolarHBondContact O-N 3.49Å; P337-V341 WeakPolarHBondContact O-CG2 3.44Å; P337-V341 PolarHBondContact O-N 3.06Å; P337-V341 VanDerWaalsContact O-N 3.16Å; P337-L435 HydrophobicContact CB-CD2 4.42Å |
| 338 | E | 87.3 | Confident | 86.4 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 176.9 | -165.2 | -179.4 | 154.3 | 0 | 0 | 112.3 | S319 R324 H336 A340 V341 Y342 R441 | S319-E338 WeakPolarHBondContact CB-OE1 3.44Å; S319-E338 PolarHBondContact OG-OE1 2.94Å; R324-E338 HydrophobicContact CG-CB 4.18Å; R324-E338 HydrophobicContact CG-CG 4.23Å; H336-E338 IonicContact CE1-OE2 2.7Å; H336-E338 VanDerWaalsContact ND1-CB 3.26Å; H336-E338 WeakPolarHBondContact ND1-CB 3.38Å; H336-E338 PolarHBondContact ND1-N 3.2Å; H336-E338 PolarHBondContact O-N 3.26Å; H336-E338 VanDerWaalsContact O-N 3.11Å; E338-A340 VanDerWaalsContact C-N 3.32Å; E338-A340 PolarHBondContact O-N 3.42Å; E338-V341 PolarHBondContact O-N 2.97Å; E338-Y342 HydrophobicContact CG-CD2 4.05Å; E338-Y342 HydrophobicContact CG-CE2 3.6Å; E338-Y342 WeakPolarHBondContact O-CD2 3.19Å; E338-Y342 PolarHBondContact O-N 2.73Å; E338-R441 IonicContact OE2-CZ 3.88Å; E338-R441 IonicContact OE2-NH1 3.09Å; E338-R441 PolarHBondContact OE2-NH1 2.93Å; E338-R441 IonicContact OE2-NH2 2.77Å |
| 339 | T | 88.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.7 | -50.7 | 0 | 0 | 0 | 0 | 110.1 | A35 L48 H49 R324 E335 H336 V341 Y342 V343 | A35-T339 HydrophobicContact CB-CG2 4.15Å; L48-T339 HydrophobicContact CB-CG2 4.08Å; L48-T339 HydrophobicContact CD1-CG2 3.76Å; H49-T339 PolarHBondContact NE2-OG1 3.03Å; R324-T339 PolarHBondContact NH1-OG1 3.35Å; E335-T339 HydrophobicContact CG-CG2 4.12Å; E335-T339 WeakPolarHBondContact OE1-CB 3.44Å; E335-T339 WeakPolarHBondContact OE1-CG2 3.17Å; H336-T339 PolarHBondContact O-N 3.23Å; T339-V341 VanDerWaalsContact C-N 3.31Å; T339-V341 PolarHBondContact O-N 2.94Å; T339-Y342 CarbonylContact O-C 3.5Å; T339-Y342 PolarHBondContact O-N 3.28Å; T339-Y342 VanDerWaalsContact O-N 3.08Å; T339-V343 HydrophobicContact CG2-CG2 4.47Å; T339-V343 WeakPolarHBondContact O-CG2 3.26Å; T339-V343 PolarHBondContact O-N 2.83Å |
| 340 | A | 86.6 | Confident | 87.3 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -36.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H336 P337 E338 R344 L435 | H336-A340 PolarHBondContact O-N 2.89Å; H336-A340 VanDerWaalsContact O-N 3.09Å; P337-A340 PolarHBondContact O-N 3.49Å; E338-A340 VanDerWaalsContact C-N 3.32Å; E338-A340 PolarHBondContact O-N 3.42Å; A340-R344 WeakPolarHBondContact O-CG 3.22Å; A340-R344 PolarHBondContact O-N 3.25Å; A340-L435 HydrophobicContact CB-CD1 3.69Å |
| 341 | V | 87.6 | Confident | 87.4 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 172 | 174 | 0 | 0 | 0 | 0 | 110.7 | P337 E338 T339 V343 R344 I345 I410 L435 | P337-V341 WeakPolarHBondContact O-CG2 3.44Å; P337-V341 PolarHBondContact O-N 3.06Å; P337-V341 VanDerWaalsContact O-N 3.16Å; E338-V341 PolarHBondContact O-N 2.97Å; T339-V341 VanDerWaalsContact C-N 3.31Å; T339-V341 PolarHBondContact O-N 2.94Å; V341-V343 PolarHBondContact O-N 2.82Å; V341-R344 WeakPolarHBondContact O-CB 3.39Å; V341-R344 PolarHBondContact O-N 2.88Å; V341-I345 HydrophobicContact CG1-CD1 4.14Å; V341-I345 WeakPolarHBondContact O-CG1 3.48Å; V341-I345 PolarHBondContact O-N 3.17Å; V341-I410 HydrophobicContact CG1-CG1 3.93Å; V341-L435 HydrophobicContact CG2-CB 3.87Å; V341-L435 HydrophobicContact CG2-CD1 3.83Å |
| 342 | Y | 90.6 | Very high | 87.7 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.7 | -73.6 | -57.5 | 0 | 0 | 0 | 112.9 | L48 I79 V316 L317 L318 E338 T339 R344 I345 V346 I410 | L48-Y342 HydrophobicContact CD2-CG 4.47Å; I79-Y342 HydrophobicContact CD1-CD1 3.8Å; I79-Y342 HydrophobicContact CD1-CE1 4.47Å; V316-Y342 HydrophobicContact CG1-CE1 3.89Å; L317-Y342 PolarHBondContact O-OH 3.13Å; L318-Y342 HydrophobicContact CD1-CD1 3.88Å; L318-Y342 HydrophobicContact CD1-CD2 3.48Å; L318-Y342 VanDerWaalsContact CD1-CD2 3.48Å; L318-Y342 HydrophobicContact CD1-CE1 3.98Å; L318-Y342 HydrophobicContact CD1-CE2 3.58Å; L318-Y342 HydrophobicContact CD1-CG 3.64Å; E338-Y342 HydrophobicContact CG-CD2 4.05Å; E338-Y342 HydrophobicContact CG-CE2 3.6Å; E338-Y342 WeakPolarHBondContact O-CD2 3.19Å; E338-Y342 PolarHBondContact O-N 2.73Å; T339-Y342 CarbonylContact O-C 3.5Å; T339-Y342 PolarHBondContact O-N 3.28Å; T339-Y342 VanDerWaalsContact O-N 3.08Å; Y342-R344 VanDerWaalsContact C-N 3.3Å; Y342-R344 PolarHBondContact O-N 3.26Å; Y342-I345 HydrophobicContact CD1-CD1 4.48Å; Y342-I345 PolarHBondContact O-N 2.93Å; Y342-I345 VanDerWaalsContact O-N 3.09Å; Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.26Å; Y342-I410 HydrophobicContact CE1-CD1 4.23Å |
| 343 | V | 89.2 | Confident | 88 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | L48 T339 V341 I345 V346 K347 | L48-V343 HydrophobicContact CD1-CB 4.28Å; L48-V343 HydrophobicContact CD1-CG2 3.37Å; T339-V343 HydrophobicContact CG2-CG2 4.47Å; T339-V343 WeakPolarHBondContact O-CG2 3.26Å; T339-V343 PolarHBondContact O-N 2.83Å; V341-V343 PolarHBondContact O-N 2.82Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 2.7Å; V343-V346 PolarHBondContact O-N 2.76Å; V343-K347 HydrophobicContact CG1-CD 4.14Å; V343-K347 WeakPolarHBondContact O-CB 3.28Å; V343-K347 WeakPolarHBondContact O-CG 3.45Å; V343-K347 PolarHBondContact O-N 3.23Å |
| 344 | R | 87.5 | Confident | 88.3 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 48% | 0.479 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.7 | -68.2 | 178.5 | -171.1 | -179.5 | 3.7 | 111.1 | A340 V341 Y342 R348 | A340-R344 WeakPolarHBondContact O-CG 3.22Å; A340-R344 PolarHBondContact O-N 3.25Å; V341-R344 WeakPolarHBondContact O-CB 3.39Å; V341-R344 PolarHBondContact O-N 2.88Å; Y342-R344 VanDerWaalsContact C-N 3.3Å; Y342-R344 PolarHBondContact O-N 3.26Å; R344-R348 VanDerWaalsContact O-CG 3.31Å; R344-R348 WeakPolarHBondContact O-CG 3.21Å; R344-R348 PolarHBondContact O-N 2.73Å; R344-R348 VanDerWaalsContact O-N 3.1Å |
| 345 | I | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -47 | -179.5 | -64.2 | 171.3 | 0 | 0 | 0 | 111.3 | F81 V341 Y342 V343 K347 R348 A349 L403 A406 V407 I410 | F81-I345 HydrophobicContact CE1-CG2 3.65Å; F81-I345 HydrophobicContact CZ-CG2 3.92Å; V341-I345 HydrophobicContact CG1-CD1 4.14Å; V341-I345 WeakPolarHBondContact O-CG1 3.48Å; V341-I345 PolarHBondContact O-N 3.17Å; Y342-I345 HydrophobicContact CD1-CD1 4.48Å; Y342-I345 PolarHBondContact O-N 2.93Å; Y342-I345 VanDerWaalsContact O-N 3.09Å; V343-I345 VanDerWaalsContact C-N 3.31Å; V343-I345 PolarHBondContact O-N 2.7Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 2.71Å; I345-R348 PolarHBondContact O-N 3.19Å; I345-A349 VanDerWaalsContact O-CB 3.25Å; I345-A349 WeakPolarHBondContact O-CB 3.36Å; I345-A349 PolarHBondContact O-N 3.25Å; I345-L403 HydrophobicContact CG2-CD1 4.24Å; I345-A406 HydrophobicContact CG1-CB 3.84Å; I345-V407 HydrophobicContact CD1-CG2 4.46Å; I345-V407 HydrophobicContact CG2-CG2 4.3Å; I345-I410 HydrophobicContact CD1-CD1 3.31Å; I345-I410 HydrophobicContact CD1-CG1 3.45Å; I345-I410 VanDerWaalsContact CD1-CG1 3.45Å |
| 346 | V | 91.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | V30 D33 L48 I79 Y342 V343 R348 A349 Q350 | V30-V346 HydrophobicContact CG1-CG2 4.06Å; D33-V346 HydrophobicContact CB-CG1 3.93Å; L48-V346 HydrophobicContact CD2-CG2 4.3Å; I79-V346 HydrophobicContact CD1-CG2 3.7Å; I79-V346 HydrophobicContact CG1-CG2 4.09Å; I79-V346 HydrophobicContact CG2-CG2 4.39Å; Y342-V346 WeakPolarHBondContact O-CG2 3.4Å; Y342-V346 PolarHBondContact O-N 3.26Å; V343-V346 PolarHBondContact O-N 2.76Å; V346-R348 PolarHBondContact O-N 2.8Å; V346-A349 PolarHBondContact O-N 3.36Å; V346-Q350 HydrophobicContact CG1-CG 4.32Å; V346-Q350 WeakPolarHBondContact O-CB 3.3Å; V346-Q350 WeakPolarHBondContact O-CG 3.47Å; V346-Q350 PolarHBondContact O-N 2.86Å |
| 347 | K | 90.2 | Very high | 88.7 | Confident | 107 Ų | 107 | 42.9 Ų | 42.9 | 47% | 0.465 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 176.8 | -74.4 | -179.4 | 176.5 | -179.2 | 0 | 112.9 | D33 V343 I345 C351 | D33-K347 HydrophobicContact CB-CG 3.88Å; D33-K347 WeakPolarHBondContact OD2-CE 3.37Å; V343-K347 HydrophobicContact CG1-CD 4.14Å; V343-K347 WeakPolarHBondContact O-CB 3.28Å; V343-K347 WeakPolarHBondContact O-CG 3.45Å; V343-K347 PolarHBondContact O-N 3.23Å; I345-K347 VanDerWaalsContact C-N 3.33Å; I345-K347 PolarHBondContact O-N 2.71Å; K347-C351 WeakPolarHBondContact O-CB 3.47Å; K347-C351 PolarHBondContact O-N 3.33Å; K347-C351 VanDerWaalsContact O-N 3.08Å |
| 348 | R | 90 | Very high | 88.8 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.9 | -35.9 | 178.8 | -61.8 | -56.1 | -179.8 | -179.2 | 1.5 | 112 | R344 I345 V346 C351 L352 L403 A406 E423 | R344-R348 VanDerWaalsContact O-CG 3.31Å; R344-R348 WeakPolarHBondContact O-CG 3.21Å; R344-R348 PolarHBondContact O-N 2.73Å; R344-R348 VanDerWaalsContact O-N 3.1Å; I345-R348 PolarHBondContact O-N 3.19Å; V346-R348 PolarHBondContact O-N 2.8Å; R348-C351 PolarHBondContact O-N 3.39Å; R348-L352 WeakPolarHBondContact O-CB 3.41Å; R348-L352 PolarHBondContact O-N 3.18Å; R348-L403 HydrophobicContact CB-CB 4.26Å; R348-L403 HydrophobicContact CB-CD1 4.01Å; R348-A406 HydrophobicContact CG-CB 4.34Å; R348-E423 IonicContact CZ-OE1 2.81Å; R348-E423 IonicContact NH2-OE1 3.77Å; R348-E423 PolarHBondContact NH2-OE1 3.28Å |
| 349 | A | 91.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F81 I345 V346 L352 H353 L403 | F81-A349 HydrophobicContact CD1-CB 3.93Å; F81-A349 HydrophobicContact CE1-CB 4.21Å; I345-A349 VanDerWaalsContact O-CB 3.25Å; I345-A349 WeakPolarHBondContact O-CB 3.36Å; I345-A349 PolarHBondContact O-N 3.25Å; V346-A349 PolarHBondContact O-N 3.36Å; A349-L352 PolarHBondContact O-N 3.39Å; A349-H353 WeakPolarHBondContact O-CB 3.4Å; A349-H353 PolarHBondContact O-N 2.83Å; A349-L403 HydrophobicContact CB-CD1 4.09Å |
| 350 | Q | 89.8 | Confident | 88.2 | Confident | 61 Ų | 61 | 52.3 Ų | 52.3 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -42.7 | 173.3 | -74.8 | 173.2 | -16.5 | 0 | 0 | 111.7 | T31 V346 L352 H353 N354 | T31-Q350 PolarHBondContact O-NE2 3.1Å; V346-Q350 HydrophobicContact CG1-CG 4.32Å; V346-Q350 WeakPolarHBondContact O-CB 3.3Å; V346-Q350 WeakPolarHBondContact O-CG 3.47Å; V346-Q350 PolarHBondContact O-N 2.86Å; Q350-L352 PolarHBondContact O-N 3.13Å; Q350-H353 WeakPolarHBondContact O-CB 3.34Å; Q350-H353 PolarHBondContact O-N 3.18Å; Q350-N354 VanDerWaalsContact O-CG 3.24Å; Q350-N354 PolarHBondContact O-N 3.2Å; Q350-N354 PolarHBondContact O-ND2 3.13Å; Q350-N354 PolarHBondContact O-OD1 3.3Å |
| 351 | C | 89.5 | Confident | 87.9 | Confident | 60 Ų | 60 | 56.5 Ų | 56.5 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 111.5 | K347 R348 H353 N354 I355 | K347-C351 WeakPolarHBondContact O-CB 3.47Å; K347-C351 PolarHBondContact O-N 3.33Å; K347-C351 VanDerWaalsContact O-N 3.08Å; R348-C351 PolarHBondContact O-N 3.39Å; C351-H353 PolarHBondContact O-N 3.04Å; C351-N354 PolarHBondContact O-N 2.94Å; C351-I355 WeakPolarHBondContact O-CG1 3.33Å; C351-I355 PolarHBondContact O-N 3.33Å; C351-I355 VanDerWaalsContact O-N 3.12Å |
| 352 | L | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.6 | -177.1 | 65 | 0 | 0 | 0 | 112.1 | K83 R348 A349 Q350 N354 I355 V356 L396 A399 L403 | K83-L352 HydrophobicContact CB-CD2 4.19Å; R348-L352 WeakPolarHBondContact O-CB 3.41Å; R348-L352 PolarHBondContact O-N 3.18Å; A349-L352 PolarHBondContact O-N 3.39Å; Q350-L352 PolarHBondContact O-N 3.13Å; L352-N354 PolarHBondContact O-N 3.39Å; L352-I355 PolarHBondContact O-N 2.95Å; L352-V356 HydrophobicContact CD1-CG2 4.44Å; L352-V356 HydrophobicContact CG-CG2 4.5Å; L352-V356 WeakPolarHBondContact O-CG2 3.39Å; L352-V356 PolarHBondContact O-N 3.17Å; L352-L396 HydrophobicContact CD1-CD1 3.69Å; L352-A399 HydrophobicContact CB-CB 4.4Å; L352-A399 HydrophobicContact CD1-CB 3.78Å; L352-L403 HydrophobicContact CD2-CD2 3.56Å |
| 353 | H | 89.7 | Confident | 86.2 | Confident | 81 Ų | 81 | 64.3 Ų | 64.3 | 38% | 0.375 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59 | -47 | 176.9 | -178.2 | 60.3 | 0 | 0 | 0 | 111.8 | S82 A349 Q350 C351 I355 V356 E357 | S82-H353 WeakPolarHBondContact OG-CB 3.46Å; S82-H353 PolarHBondContact OG-ND1 2.88Å; A349-H353 WeakPolarHBondContact O-CB 3.4Å; A349-H353 PolarHBondContact O-N 2.83Å; Q350-H353 WeakPolarHBondContact O-CB 3.34Å; Q350-H353 PolarHBondContact O-N 3.18Å; C351-H353 PolarHBondContact O-N 3.04Å; H353-I355 VanDerWaalsContact C-N 3.32Å; H353-I355 PolarHBondContact O-N 3.42Å; H353-V356 PolarHBondContact O-N 3.35Å; H353-E357 IonicContact CE1-OE1 3.56Å; H353-E357 WeakPolarHBondContact O-CB 3.41Å; H353-E357 PolarHBondContact O-N 3.01Å |
| 354 | N | 89 | Confident | 85 | Confident | 106 Ų | 106 | 68.2 Ų | 68.2 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 178.2 | -66.3 | -14.6 | 0 | 0 | 0 | 112.2 | Q350 C351 L352 F358 | Q350-N354 VanDerWaalsContact O-CG 3.24Å; Q350-N354 PolarHBondContact O-N 3.2Å; Q350-N354 PolarHBondContact O-ND2 3.13Å; Q350-N354 PolarHBondContact O-OD1 3.3Å; C351-N354 PolarHBondContact O-N 2.94Å; L352-N354 PolarHBondContact O-N 3.39Å; N354-F358 VanDerWaalsContact O-CB 3.27Å; N354-F358 WeakPolarHBondContact O-CB 3.27Å; N354-F358 PolarHBondContact O-N 3.09Å |
| 355 | I | 87 | Confident | 83.7 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 18% | 0.179 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 176 | -66.1 | 164.6 | 0 | 0 | 0 | 110.7 | C351 L352 H353 F358 I359 L396 A399 | C351-I355 WeakPolarHBondContact O-CG1 3.33Å; C351-I355 PolarHBondContact O-N 3.33Å; C351-I355 VanDerWaalsContact O-N 3.12Å; L352-I355 PolarHBondContact O-N 2.95Å; H353-I355 VanDerWaalsContact C-N 3.32Å; H353-I355 PolarHBondContact O-N 3.42Å; I355-F358 PolarHBondContact O-N 2.82Å; I355-I359 HydrophobicContact CG2-CD1 3.91Å; I355-I359 VanDerWaalsContact O-CG1 3.31Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.42Å; I355-L396 HydrophobicContact CG2-CB 4.31Å; I355-L396 HydrophobicContact CG2-CD1 4.29Å; I355-A399 HydrophobicContact CD1-CB 3.71Å |
| 356 | V | 86.6 | Confident | 81.9 | Confident | 34 Ų | 34 | 70.4 Ų | 70.4 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | K83 L352 H353 I359 R360 L396 | K83-V356 HydrophobicContact CG-CG2 4.34Å; L352-V356 HydrophobicContact CD1-CG2 4.44Å; L352-V356 HydrophobicContact CG-CG2 4.5Å; L352-V356 WeakPolarHBondContact O-CG2 3.39Å; L352-V356 PolarHBondContact O-N 3.17Å; H353-V356 PolarHBondContact O-N 3.35Å; V356-I359 PolarHBondContact O-N 2.8Å; V356-R360 WeakPolarHBondContact O-CB 3.17Å; V356-R360 PolarHBondContact O-N 3.14Å; V356-L396 HydrophobicContact CG2-CD1 3.79Å |
| 357 | E | 86 | Confident | 79.9 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.6 | -78.7 | -64.9 | 140.1 | 0 | 0 | 111.7 | H353 R360 Q361 | H353-E357 IonicContact CE1-OE1 3.56Å; H353-E357 WeakPolarHBondContact O-CB 3.41Å; H353-E357 PolarHBondContact O-N 3.01Å; E357-R360 PolarHBondContact O-N 2.85Å; E357-Q361 WeakPolarHBondContact O-CB 3.19Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.2Å; E357-Q361 PolarHBondContact O-N 2.91Å |
| 358 | F | 85.6 | Confident | 78 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 37% | 0.373 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 174.5 | 178.7 | -95 | 0 | 0 | 0 | 111.9 | N354 I355 R360 Q361 H362 I387 | N354-F358 VanDerWaalsContact O-CB 3.27Å; N354-F358 WeakPolarHBondContact O-CB 3.27Å; N354-F358 PolarHBondContact O-N 3.09Å; I355-F358 PolarHBondContact O-N 2.82Å; F358-R360 VanDerWaalsContact C-N 3.33Å; F358-R360 PolarHBondContact O-N 3.48Å; F358-Q361 PolarHBondContact O-N 3.15Å; F358-H362 AromaticContact CE1-CD2 3.88Å; F358-H362 AromaticContact CE2-CD2 3.98Å; F358-H362 AromaticContact CZ-CD2 3.54Å; F358-H362 AromaticContact CZ-NE2 3.84Å; F358-H362 PolarHBondContact O-N 2.92Å; F358-I387 HydrophobicContact CE1-CD1 4.48Å; F358-I387 HydrophobicContact CZ-CD1 4.05Å |
| 359 | I | 83.5 | Confident | 75.7 | Confident | 34 Ų | 34 | 78 Ų | 78 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 177.3 | -67.6 | 166.7 | 0 | 0 | 0 | 110.7 | I355 V356 H362 N363 L396 | I355-I359 HydrophobicContact CG2-CD1 3.91Å; I355-I359 VanDerWaalsContact O-CG1 3.31Å; I355-I359 WeakPolarHBondContact O-CG1 3.49Å; I355-I359 PolarHBondContact O-N 3.42Å; V356-I359 PolarHBondContact O-N 2.8Å; I359-H362 PolarHBondContact O-N 3.12Å; I359-N363 WeakPolarHBondContact O-CB 3.45Å; I359-N363 PolarHBondContact O-N 3.37Å; I359-L396 HydrophobicContact CD1-CB 4.31Å; I359-L396 HydrophobicContact CD1-CD2 4.27Å |
| 360 | R | 81.2 | Confident | 73.5 | Confident | 139 Ų | 139 | 85.3 Ų | 85.3 | 53% | 0.525 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.9 | -176.2 | -176.9 | 175.7 | 167.6 | 3.2 | 111.7 | V356 E357 F358 H362 N363 E364 | V356-R360 WeakPolarHBondContact O-CB 3.17Å; V356-R360 PolarHBondContact O-N 3.14Å; E357-R360 PolarHBondContact O-N 2.85Å; F358-R360 VanDerWaalsContact C-N 3.33Å; F358-R360 PolarHBondContact O-N 3.48Å; R360-H362 VanDerWaalsContact C-N 3.33Å; R360-H362 PolarHBondContact O-N 3.16Å; R360-N363 PolarHBondContact O-N 3.03Å; R360-E364 IonicContact CZ-OE1 3.67Å; R360-E364 IonicContact NE-OE1 3.75Å; R360-E364 PolarHBondContact NE-OE1 2.86Å; R360-E364 IonicContact NH2-OE1 3.75Å; R360-E364 WeakPolarHBondContact O-CG 3.25Å; R360-E364 PolarHBondContact O-N 2.84Å |
| 361 | Q | 79.1 | Confident | 71 | Confident | 112 Ų | 112 | 88.5 Ų | 88.5 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.2 | -71.6 | 173.5 | 13 | 0 | 0 | 111.3 | E357 F358 N363 E364 V365 | E357-Q361 WeakPolarHBondContact O-CB 3.19Å; E357-Q361 VanDerWaalsContact O-CG 3.31Å; E357-Q361 WeakPolarHBondContact O-CG 3.2Å; E357-Q361 PolarHBondContact O-N 2.91Å; F358-Q361 PolarHBondContact O-N 3.15Å; Q361-N363 VanDerWaalsContact C-N 3.34Å; Q361-N363 PolarHBondContact O-N 3.06Å; Q361-E364 PolarHBondContact O-N 2.98Å; Q361-V365 WeakPolarHBondContact O-CB 3.05Å; Q361-V365 WeakPolarHBondContact O-CG2 3.33Å; Q361-V365 PolarHBondContact O-N 3.06Å |
| 362 | H | 74.5 | Confident | 68.5 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 175.4 | -116.8 | -87.3 | 0 | 0 | 0 | 112.5 | F358 I359 R360 S366 | F358-H362 AromaticContact CE1-CD2 3.88Å; F358-H362 AromaticContact CE2-CD2 3.98Å; F358-H362 AromaticContact CZ-CD2 3.54Å; F358-H362 AromaticContact CZ-NE2 3.84Å; F358-H362 PolarHBondContact O-N 2.92Å; I359-H362 PolarHBondContact O-N 3.12Å; R360-H362 VanDerWaalsContact C-N 3.33Å; R360-H362 PolarHBondContact O-N 3.16Å; H362-S366 PolarHBondContact O-N 3.43Å; H362-S366 PolarHBondContact O-OG 2.94Å |
| 363 | N | 69.5 | Low | 66.1 | Low | 87 Ų | 87 | 101.8 Ų | 101.8 | 47% | 0.465 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | 176.1 | -75.1 | -17.2 | 0 | 0 | 0 | 113.5 | I359 R360 Q361 S366 N367 | I359-N363 WeakPolarHBondContact O-CB 3.45Å; I359-N363 PolarHBondContact O-N 3.37Å; R360-N363 PolarHBondContact O-N 3.03Å; Q361-N363 VanDerWaalsContact C-N 3.34Å; Q361-N363 PolarHBondContact O-N 3.06Å; N363-S366 WeakPolarHBondContact CA-OG 3.27Å; N363-S366 PolarHBondContact O-OG 3.17Å; N363-N367 WeakPolarHBondContact O-CB 3.37Å; N363-N367 PolarHBondContact O-N 3.24Å; N363-N367 PolarHBondContact O-ND2 3.29Å |
| 364 | E | 64.2 | Low | 63.5 | Low | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74.8 | -35.2 | 174.5 | -73.5 | 175.6 | -173.4 | 0 | 0 | 111.3 | R360 Q361 S368 | R360-E364 IonicContact CZ-OE1 3.67Å; R360-E364 IonicContact NE-OE1 3.75Å; R360-E364 PolarHBondContact NE-OE1 2.86Å; R360-E364 IonicContact NH2-OE1 3.75Å; R360-E364 WeakPolarHBondContact O-CG 3.25Å; R360-E364 PolarHBondContact O-N 2.84Å; Q361-E364 PolarHBondContact O-N 2.98Å; E364-S368 PolarHBondContact O-N 3.33Å; E364-S368 PolarHBondContact O-OG 3.44Å |
| 365 | V | 59.8 | Low | 61.1 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 58% | 0.582 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72 | -37.1 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | Q361 S368 | Q361-V365 WeakPolarHBondContact O-CB 3.05Å; Q361-V365 WeakPolarHBondContact O-CG2 3.33Å; Q361-V365 PolarHBondContact O-N 3.06Å; V365-S368 PolarHBondContact O-N 3.15Å; V365-S368 PolarHBondContact O-OG 3.34Å |
| 366 | S | 52.6 | Low | 58.6 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 54% | 0.538 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.1 | -26 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | H362 N363 | H362-S366 PolarHBondContact O-N 3.43Å; H362-S366 PolarHBondContact O-OG 2.94Å; N363-S366 WeakPolarHBondContact CA-OG 3.27Å; N363-S366 PolarHBondContact O-OG 3.17Å |
| 367 | N | 50 | Low | 56 | Low | 145 Ų | 145 | 116.2 Ų | 116.2 | 78% | 0.775 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -4 | 176 | -76.5 | -45.4 | 0 | 0 | 0 | 114.8 | N363 | N363-N367 WeakPolarHBondContact O-CB 3.37Å; N363-N367 PolarHBondContact O-N 3.24Å; N363-N367 PolarHBondContact O-ND2 3.29Å |
| 368 | S | 49.3 | Very low | 53.5 | Low | 90 Ų | 90 | 122.5 Ų | 122.5 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 12.7 | -175.8 | 51.5 | 0 | 0 | 0 | 0 | 115.5 | E364 V365 | E364-S368 PolarHBondContact O-N 3.33Å; E364-S368 PolarHBondContact O-OG 3.44Å; V365-S368 PolarHBondContact O-N 3.15Å; V365-S368 PolarHBondContact O-OG 3.34Å |
| 369 | V | 42.9 | Very low | 51.2 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -104.6 | 112.6 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | V371 | V369-V371 PolarHBondContact O-N 3.12Š|
| 370 | D | 43.1 | Very low | 48.8 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | trans | -53.3 | 120.4 | 174.7 | -96 | -36.6 | 0 | 0 | 0 | 112 | N372 | D370-N372 PolarHBondContact O-N 3.28Š| ||
| 371 | V | 38.2 | Very low | 46.6 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -63.4 | 101.8 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | V369 | V369-V371 PolarHBondContact O-N 3.12Š|
| 372 | N | 37.7 | Very low | 44.5 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | 152.3 | 74.5 | 148.5 | -76.6 | -37.6 | 0 | 0 | 0 | 112.6 | D370 | D370-N372 PolarHBondContact O-N 3.28Š| ||
| 373 | K | 38.8 | Very low | 42.7 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 83% | 0.826 | 75% | 0.746 | S | S | * | * | trans | -174.7 | 132.4 | 149.7 | -106.9 | 165.1 | -173.6 | 179.7 | 0 | 110.3 | V375 | K373-V375 PolarHBondContact O-N 3.45Š| ||
| 374 | P | 34.4 | Very low | 41 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -77.4 | 122.1 | 174.5 | 31.6 | -29.1 | 0 | 0 | 0 | 108.7 | ||||
| 375 | V | 38.4 | Very low | 39.9 | Very low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -104.4 | 121 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | K373 | K373-V375 PolarHBondContact O-N 3.45Š| ||
| 376 | E | 35.4 | Very low | 39.2 | Very low | 165 Ų | 165 | 136.7 Ų | 136.7 | 77% | 0.771 | 79% | 0.791 | S | S | * | * | trans | -65.6 | 155.3 | 179.3 | -67 | -177.5 | 160.9 | 0 | 0 | 113.5 | ||||
| 377 | P | 31.7 | Very low | 39.2 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -92.7 | 119.1 | -170.9 | 35.1 | -30.2 | 0 | 0 | 0 | 112.9 | ||||
| 378 | K | 33.6 | Very low | 39.6 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -153.9 | 137.9 | 163.4 | -65.1 | -174.8 | -178 | 167.4 | 0 | 106.9 | ||||
| 379 | S | 37.7 | Very low | 40.3 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -166.1 | 133.3 | 12.4 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 380 | T | 32.5 | Very low | 41.3 | Very low | 135 Ų | 135 | 135 Ų | 135 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -1.7 | 122.6 | 152.4 | 50 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 381 | T | 36 | Very low | 42.6 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | trans | -135.6 | 138 | 130.1 | 38.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 382 | S | 35.1 | Very low | 44.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -59.3 | 141.3 | -162.5 | 45.9 | 0 | 0 | 0 | 0 | 116.5 | ||
| 383 | N | 36.2 | Very low | 45.9 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | 85.1 | 62.4 | -178.3 | -60.8 | -3.4 | 0 | 0 | 0 | 114.8 | ||||
| 384 | G | 33.5 | Very low | 47.7 | Very low | 72 Ų | 72 | 116.3 Ų | 116.3 | 74% | 0.742 | 69% | 0.685 | S | S | * | * | trans | -112.6 | 112.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 385 | D | 40.8 | Very low | 49.9 | Very low | 152 Ų | 152 | 112.1 Ų | 112.1 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | trans | -101.6 | 117.7 | 153.5 | -74.8 | -32.3 | 0 | 0 | 0 | 106.6 | I387 | D385-I387 PolarHBondContact O-N 2.87Å; D385-I387 VanDerWaalsContact O-N 3.1Å | ||
| 386 | L | 44.8 | Very low | 52.1 | Low | 174 Ų | 174 | 107.1 Ų | 107.1 | 91% | 0.911 | 63% | 0.63 | S | S | * | * | trans | -60.4 | 110.3 | 168.1 | -78 | 151.3 | 0 | 0 | 0 | 107.1 | D388 | L386-D388 PolarHBondContact O-N 3.23Š| ||
| 387 | I | 53.2 | Low | 54.4 | Low | 96 Ų | 96 | 104.1 Ų | 104.1 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | trans | -66.5 | 108.4 | 177.1 | -59.2 | 172.4 | 0 | 0 | 0 | 107 | F358 D385 Q391 | F358-I387 HydrophobicContact CE1-CD1 4.48Å; F358-I387 HydrophobicContact CZ-CD1 4.05Å; D385-I387 PolarHBondContact O-N 2.87Å; D385-I387 VanDerWaalsContact O-N 3.1Å; I387-Q391 HydrophobicContact CG2-CB 4.14Å | ||
| 388 | D | 58.8 | Low | 56.9 | Low | 100 Ų | 100 | 101.1 Ų | 101.1 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | trans | -66.1 | 144.7 | 178.6 | -159 | 1.7 | 0 | 0 | 0 | 109.9 | L386 A390 Q391 S392 | L386-D388 PolarHBondContact O-N 3.23Å; D388-A390 PolarHBondContact O-N 3.38Å; D388-A390 VanDerWaalsContact O-N 3.09Å; D388-Q391 HydrophobicContact CB-CG 4.07Å; D388-Q391 WeakPolarHBondContact O-CA 3.18Å; D388-Q391 WeakPolarHBondContact O-CB 3.25Å; D388-Q391 PolarHBondContact O-N 3.08Å; D388-S392 PolarHBondContact O-N 3.37Å | ||
| 389 | D | 63.1 | Low | 59.4 | Low | 126 Ų | 126 | 92.3 Ų | 92.3 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55 | -34.9 | 179.4 | -77.1 | -23.9 | 0 | 0 | 0 | 110.7 | Q391 S392 D393 | D389-Q391 VanDerWaalsContact C-N 3.34Å; D389-Q391 PolarHBondContact O-N 2.93Å; D389-S392 PolarHBondContact O-N 2.8Å; D389-S392 PolarHBondContact O-OG 3.18Å; D389-D393 PolarHBondContact O-N 2.94Å; D389-D393 VanDerWaalsContact O-N 3.1Å |
| 390 | A | 64.6 | Low | 61.8 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 55% | 0.554 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.6 | -34.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D388 G394 | D388-A390 PolarHBondContact O-N 3.38Å; D388-A390 VanDerWaalsContact O-N 3.09Å; A390-G394 PolarHBondContact O-N 3.36Å |
| 391 | Q | 69.6 | Low | 64.4 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -38.3 | 176.1 | -68.8 | 179.2 | 0.2 | 0 | 0 | 111.2 | I387 D388 D389 G394 A395 | I387-Q391 HydrophobicContact CG2-CB 4.14Å; D388-Q391 HydrophobicContact CB-CG 4.07Å; D388-Q391 WeakPolarHBondContact O-CA 3.18Å; D388-Q391 WeakPolarHBondContact O-CB 3.25Å; D388-Q391 PolarHBondContact O-N 3.08Å; D389-Q391 VanDerWaalsContact C-N 3.34Å; D389-Q391 PolarHBondContact O-N 2.93Å; Q391-G394 PolarHBondContact O-N 2.81Å; Q391-A395 WeakPolarHBondContact O-CB 3.29Å; Q391-A395 PolarHBondContact O-N 2.82Å |
| 392 | S | 71.3 | Confident | 66.9 | Low | 23 Ų | 23 | 76.5 Ų | 76.5 | 16% | 0.161 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.9 | -42.6 | 177.3 | 78 | 0 | 0 | 0 | 0 | 112.2 | D388 D389 A395 L396 | D388-S392 PolarHBondContact O-N 3.37Å; D389-S392 PolarHBondContact O-N 2.8Å; D389-S392 PolarHBondContact O-OG 3.18Å; S392-A395 PolarHBondContact O-N 3.41Å; S392-L396 WeakPolarHBondContact O-CB 3.17Å; S392-L396 PolarHBondContact O-N 2.69Å |
| 393 | D | 74.2 | Confident | 69.5 | Low | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.8 | -38 | 175.7 | -177.1 | 44.6 | 0 | 0 | 0 | 112 | D389 A395 L396 K397 | D389-D393 PolarHBondContact O-N 2.94Å; D389-D393 VanDerWaalsContact O-N 3.1Å; D393-A395 PolarHBondContact O-N 3.46Å; D393-L396 PolarHBondContact O-N 3.37Å; D393-K397 WeakPolarHBondContact O-CB 3.36Å; D393-K397 WeakPolarHBondContact O-CG 3.22Å; D393-K397 PolarHBondContact O-N 3.27Å; D393-K397 IonicContact OD1-NZ 3.93Å; D393-K397 VanDerWaalsContact OD2-CE 3.3Å; D393-K397 WeakPolarHBondContact OD2-CE 3.48Å; D393-K397 IonicContact OD2-NZ 2.88Å; D393-K397 PolarHBondContact OD2-NZ 3.35Å |
| 394 | G | 76.9 | Confident | 72.1 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A390 Q391 K397 L398 | A390-G394 PolarHBondContact O-N 3.36Å; Q391-G394 PolarHBondContact O-N 2.81Å; G394-K397 PolarHBondContact O-N 2.72Å; G394-L398 WeakPolarHBondContact O-CB 3.27Å; G394-L398 PolarHBondContact O-N 3.12Å |
| 395 | A | 81.6 | Confident | 74.7 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q391 S392 D393 L398 A399 | Q391-A395 WeakPolarHBondContact O-CB 3.29Å; Q391-A395 PolarHBondContact O-N 2.82Å; S392-A395 PolarHBondContact O-N 3.41Å; D393-A395 PolarHBondContact O-N 3.46Å; A395-L398 PolarHBondContact O-N 3.1Å; A395-A399 VanDerWaalsContact O-CB 3.29Å; A395-A399 WeakPolarHBondContact O-CB 3.25Å; A395-A399 PolarHBondContact O-N 3.08Å |
| 396 | L | 84.6 | Confident | 76.9 | Confident | 34 Ų | 34 | 53.3 Ų | 53.3 | 18% | 0.178 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.9 | -178.8 | 68.3 | 0 | 0 | 0 | 111.7 | L352 I355 V356 I359 S392 D393 A399 T400 | L352-L396 HydrophobicContact CD1-CD1 3.69Å; I355-L396 HydrophobicContact CG2-CB 4.31Å; I355-L396 HydrophobicContact CG2-CD1 4.29Å; V356-L396 HydrophobicContact CG2-CD1 3.79Å; I359-L396 HydrophobicContact CD1-CB 4.31Å; I359-L396 HydrophobicContact CD1-CD2 4.27Å; S392-L396 WeakPolarHBondContact O-CB 3.17Å; S392-L396 PolarHBondContact O-N 2.69Å; D393-L396 PolarHBondContact O-N 3.37Å; L396-A399 PolarHBondContact O-N 3.14Å; L396-T400 WeakPolarHBondContact O-CB 3.47Å; L396-T400 PolarHBondContact O-N 2.77Å; L396-T400 PolarHBondContact O-OG1 2.77Å |
| 397 | K | 82.3 | Confident | 79.1 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 176.3 | -75.6 | 167.5 | 178.3 | 161 | 0 | 111.3 | D393 G394 T400 V401 | D393-K397 WeakPolarHBondContact O-CB 3.36Å; D393-K397 WeakPolarHBondContact O-CG 3.22Å; D393-K397 PolarHBondContact O-N 3.27Å; D393-K397 IonicContact OD1-NZ 3.93Å; D393-K397 VanDerWaalsContact OD2-CE 3.3Å; D393-K397 WeakPolarHBondContact OD2-CE 3.48Å; D393-K397 IonicContact OD2-NZ 2.88Å; D393-K397 PolarHBondContact OD2-NZ 3.35Å; G394-K397 PolarHBondContact O-N 2.72Å; K397-T400 PolarHBondContact O-N 2.99Å; K397-V401 WeakPolarHBondContact O-CG2 3.14Å; K397-V401 PolarHBondContact O-N 2.89Å; K397-V401 VanDerWaalsContact O-N 3.1Å |
| 398 | L | 85.1 | Confident | 80.9 | Confident | 63 Ų | 63 | 40.5 Ų | 40.5 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62 | -47.4 | 177.9 | 176.9 | 57.1 | 0 | 0 | 0 | 112 | G394 A395 T400 V401 L402 L422 | G394-L398 WeakPolarHBondContact O-CB 3.27Å; G394-L398 PolarHBondContact O-N 3.12Å; A395-L398 PolarHBondContact O-N 3.1Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 3.24Å; L398-V401 PolarHBondContact O-N 3.23Å; L398-L402 HydrophobicContact CD1-CD1 4.03Å; L398-L402 HydrophobicContact CD1-CG 4.05Å; L398-L402 HydrophobicContact CG-CD1 4.06Å; L398-L402 HydrophobicContact CG-CG 4.48Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 2.76Å; L398-L422 HydrophobicContact CD1-CB 4.46Å; L398-L422 HydrophobicContact CD1-CD1 3.7Å; L398-L422 HydrophobicContact CD1-CD2 3.49Å; L398-L422 VanDerWaalsContact CD1-CD2 3.49Å; L398-L422 HydrophobicContact CD1-CG 4.08Å; L398-L422 HydrophobicContact CD2-CD2 4.12Å; L398-L422 HydrophobicContact CG-CD2 4.47Å |
| 399 | A | 86.1 | Confident | 82.1 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L352 I355 A395 L396 L402 L403 | L352-A399 HydrophobicContact CB-CB 4.4Å; L352-A399 HydrophobicContact CD1-CB 3.78Å; I355-A399 HydrophobicContact CD1-CB 3.71Å; A395-A399 VanDerWaalsContact O-CB 3.29Å; A395-A399 WeakPolarHBondContact O-CB 3.25Å; A395-A399 PolarHBondContact O-N 3.08Å; L396-A399 PolarHBondContact O-N 3.14Å; A399-L402 PolarHBondContact O-N 3.4Å; A399-L403 WeakPolarHBondContact O-CB 3.24Å; A399-L403 PolarHBondContact O-N 3.01Å |
| 400 | T | 87.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | P272 L396 K397 L398 L403 Q404 | P272-T400 HydrophobicContact CG-CG2 4.37Å; L396-T400 WeakPolarHBondContact O-CB 3.47Å; L396-T400 PolarHBondContact O-N 2.77Å; L396-T400 PolarHBondContact O-OG1 2.77Å; K397-T400 PolarHBondContact O-N 2.99Å; L398-T400 VanDerWaalsContact C-N 3.29Å; L398-T400 PolarHBondContact O-N 3.24Å; T400-L403 PolarHBondContact O-N 2.81Å; T400-Q404 WeakPolarHBondContact O-CB 2.97Å; T400-Q404 PolarHBondContact O-N 3.4Å |
| 401 | V | 87.4 | Confident | 84.4 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 9% | 0.085 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -42.6 | 179.1 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | Q181 K397 L398 L403 Q404 A405 P419 | Q181-V401 HydrophobicContact CG-CG1 4.4Å; Q181-V401 HydrophobicContact CG-CG2 3.84Å; K397-V401 WeakPolarHBondContact O-CG2 3.14Å; K397-V401 PolarHBondContact O-N 2.89Å; K397-V401 VanDerWaalsContact O-N 3.1Å; L398-V401 PolarHBondContact O-N 3.23Å; V401-L403 VanDerWaalsContact C-N 3.35Å; V401-Q404 PolarHBondContact O-N 3.44Å; V401-A405 PolarHBondContact O-N 3.45Å; V401-P419 HydrophobicContact CG1-CG 4.18Å |
| 402 | L | 87.7 | Confident | 85 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -37.7 | 176.3 | -68.5 | 175 | 0 | 0 | 0 | 111.9 | L398 A399 A405 A406 T418 | L398-L402 HydrophobicContact CD1-CD1 4.03Å; L398-L402 HydrophobicContact CD1-CG 4.05Å; L398-L402 HydrophobicContact CG-CD1 4.06Å; L398-L402 HydrophobicContact CG-CG 4.48Å; L398-L402 WeakPolarHBondContact O-CG 3.46Å; L398-L402 PolarHBondContact O-N 2.76Å; A399-L402 PolarHBondContact O-N 3.4Å; L402-A405 PolarHBondContact O-N 3.34Å; L402-A406 WeakPolarHBondContact O-CB 3.43Å; L402-A406 PolarHBondContact O-N 2.91Å; L402-T418 HydrophobicContact CD2-CG2 4.4Å |
| 403 | L | 90.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -45.4 | 172.3 | 179.9 | 61 | 0 | 0 | 0 | 110.9 | F81 V85 I345 R348 A349 L352 A399 T400 V401 A405 A406 V407 | F81-L403 HydrophobicContact CD1-CD1 4.33Å; F81-L403 HydrophobicContact CD1-CD2 4.14Å; F81-L403 HydrophobicContact CE1-CD1 4.07Å; F81-L403 HydrophobicContact CG-CD2 4.4Å; V85-L403 HydrophobicContact CG1-CD2 4.38Å; V85-L403 HydrophobicContact CG1-CG 4.26Å; I345-L403 HydrophobicContact CG2-CD1 4.24Å; R348-L403 HydrophobicContact CB-CB 4.26Å; R348-L403 HydrophobicContact CB-CD1 4.01Å; A349-L403 HydrophobicContact CB-CD1 4.09Å; L352-L403 HydrophobicContact CD2-CD2 3.56Å; A399-L403 WeakPolarHBondContact O-CB 3.24Å; A399-L403 PolarHBondContact O-N 3.01Å; T400-L403 PolarHBondContact O-N 2.81Å; V401-L403 VanDerWaalsContact C-N 3.35Å; L403-A405 VanDerWaalsContact C-N 3.35Å; L403-A405 PolarHBondContact O-N 3.11Å; L403-A406 PolarHBondContact O-N 3.3Å; L403-V407 HydrophobicContact CD1-CG2 4.28Å; L403-V407 WeakPolarHBondContact O-CG2 3.37Å; L403-V407 PolarHBondContact O-N 3.33Å |
| 404 | Q | 90.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.1 | -174.2 | 67.1 | 59.4 | 0 | 0 | 112 | V85 F86 Q180 T400 V401 A406 V407 N408 | V85-Q404 HydrophobicContact CG1-CB 4.07Å; F86-Q404 PolarHBondContact O-NE2 3.25Å; Q180-Q404 HydrophobicContact CB-CG 4.23Å; Q180-Q404 HydrophobicContact CG-CG 4.4Å; T400-Q404 WeakPolarHBondContact O-CB 2.97Å; T400-Q404 PolarHBondContact O-N 3.4Å; V401-Q404 PolarHBondContact O-N 3.44Å; Q404-A406 VanDerWaalsContact C-N 3.34Å; Q404-A406 PolarHBondContact O-N 2.91Å; Q404-V407 PolarHBondContact O-N 3.1Å; Q404-N408 PolarHBondContact NE2-OD1 3.07Å; Q404-N408 WeakPolarHBondContact O-CB 3.49Å; Q404-N408 PolarHBondContact O-N 3.18Å; Q404-N408 PolarHBondContact O-OD1 3.1Å |
| 405 | A | 87.4 | Confident | 85.6 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.9 | -40.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V401 L402 L403 N408 G409 | V401-A405 PolarHBondContact O-N 3.45Å; L402-A405 PolarHBondContact O-N 3.34Å; L403-A405 VanDerWaalsContact C-N 3.35Å; L403-A405 PolarHBondContact O-N 3.11Å; A405-N408 PolarHBondContact O-N 3.29Å; A405-G409 PolarHBondContact O-N 3.3Å |
| 406 | A | 87.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 25.2 Ų | 25.2 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I345 R348 L402 L403 Q404 G409 | I345-A406 HydrophobicContact CG1-CB 3.84Å; R348-A406 HydrophobicContact CG-CB 4.34Å; L402-A406 WeakPolarHBondContact O-CB 3.43Å; L402-A406 PolarHBondContact O-N 2.91Å; L403-A406 PolarHBondContact O-N 3.3Å; Q404-A406 VanDerWaalsContact C-N 3.34Å; Q404-A406 PolarHBondContact O-N 2.91Å; A406-G409 PolarHBondContact O-N 3.21Å; A406-G409 VanDerWaalsContact O-N 3.15Å |
| 407 | V | 90.6 | Very high | 84.5 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -38.6 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | F81 V85 I345 L403 Q404 G409 I410 | F81-V407 HydrophobicContact CE2-CG2 4.23Å; F81-V407 HydrophobicContact CZ-CG2 3.78Å; V85-V407 HydrophobicContact CG2-CG2 4.44Å; I345-V407 HydrophobicContact CD1-CG2 4.46Å; I345-V407 HydrophobicContact CG2-CG2 4.3Å; L403-V407 HydrophobicContact CD1-CG2 4.28Å; L403-V407 WeakPolarHBondContact O-CG2 3.37Å; L403-V407 PolarHBondContact O-N 3.33Å; Q404-V407 PolarHBondContact O-N 3.1Å; V407-G409 PolarHBondContact O-N 2.96Å; V407-I410 WeakPolarHBondContact O-CB 3.29Å; V407-I410 PolarHBondContact O-N 3.38Å |
| 408 | N | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -32.2 | 173.9 | -74.4 | 1.6 | 0 | 0 | 0 | 111.9 | Q180 Q404 A405 I410 Y411 D412 M415 | Q180-N408 WeakPolarHBondContact CG-ND2 3.43Å; Q404-N408 PolarHBondContact NE2-OD1 3.07Å; Q404-N408 WeakPolarHBondContact O-CB 3.49Å; Q404-N408 PolarHBondContact O-N 3.18Å; Q404-N408 PolarHBondContact O-OD1 3.1Å; A405-N408 PolarHBondContact O-N 3.29Å; N408-I410 PolarHBondContact O-N 3.45Å; N408-Y411 PolarHBondContact O-N 3.48Å; N408-D412 PolarHBondContact O-N 2.89Å; N408-M415 HydrophobicContact CB-CB 3.95Å; N408-M415 PolarHBondContact ND2-O 3.3Å |
| 409 | G | 85.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 8% | 0.082 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -17.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A405 A406 V407 Y411 | A405-G409 PolarHBondContact O-N 3.3Å; A406-G409 PolarHBondContact O-N 3.21Å; A406-G409 VanDerWaalsContact O-N 3.15Å; V407-G409 PolarHBondContact O-N 2.96Å; G409-Y411 VanDerWaalsContact C-N 3.31Å |
| 410 | I | 87.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 24% | 0.241 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 168.1 | -63.4 | 173.9 | 0 | 0 | 0 | 109.9 | V316 V341 Y342 I345 V407 N408 L438 | V316-I410 HydrophobicContact CG1-CD1 3.78Å; V316-I410 HydrophobicContact CG2-CD1 4.25Å; V341-I410 HydrophobicContact CG1-CG1 3.93Å; Y342-I410 HydrophobicContact CE1-CD1 4.23Å; I345-I410 HydrophobicContact CD1-CD1 3.31Å; I345-I410 HydrophobicContact CD1-CG1 3.45Å; I345-I410 VanDerWaalsContact CD1-CG1 3.45Å; V407-I410 WeakPolarHBondContact O-CB 3.29Å; V407-I410 PolarHBondContact O-N 3.38Å; N408-I410 PolarHBondContact O-N 3.45Å; I410-L438 WeakPolarHBondContact O-CB 3.41Å; I410-L438 PolarHBondContact O-N 2.92Å |
| 411 | Y | 86.7 | Confident | 79.7 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -89.3 | -58 | -173.2 | 175 | -116.6 | 0 | 0 | 0 | 112.3 | P88 F89 N408 G409 M415 G437 L438 R439 A1731 | P88-Y411 HydrophobicContact CB-CD1 4.14Å; P88-Y411 HydrophobicContact CB-CG 4.4Å; P88-Y411 HydrophobicContact CG-CG 4.47Å; F89-Y411 HydrophobicContact CD2-CD2 4.1Å; F89-Y411 AromaticContact CD2-CE2 3.48Å; F89-Y411 HydrophobicContact CD2-CE2 3.48Å; F89-Y411 VanDerWaalsContact CD2-CE2 3.48Å; F89-Y411 AromaticContact CD2-CZ 3.86Å; F89-Y411 HydrophobicContact CE2-CE2 4.03Å; N408-Y411 PolarHBondContact O-N 3.48Å; G409-Y411 VanDerWaalsContact C-N 3.31Å; Y411-M415 HydrophobicContact CD1-SD 4.01Å; Y411-M415 HydrophobicContact CE1-SD 4.15Å; Y411-G437 CarbonylContact O-C 3.49Å; Y411-L438 PolarHBondContact O-N 3.13Å; Y411-R439 HydrophobicContact CD2-CB 4.49Å; Y411-R439 HydrophobicContact CE2-CB 4.17Å; Y411-R439 WeakPolarHBondContact O-CB 2.96Å; Y411-R439 PolarHBondContact O-N 3.34Å; Y411-A1731 HydrophobicContact CE2-CB 4.35Å |
| 412 | D | 83.3 | Confident | 78.3 | Confident | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | trans | -138.9 | 123.6 | -171.1 | -168.2 | -16.3 | 0 | 0 | 0 | 111 | N408 N414 M415 A416 R439 Q440 | N408-D412 PolarHBondContact O-N 2.89Å; D412-N414 PolarHBondContact O-N 2.96Å; D412-N414 PolarHBondContact OD1-N 2.97Å; D412-M415 HydrophobicContact CB-CB 4.13Å; D412-M415 HydrophobicContact CB-CG 3.93Å; D412-M415 HydrophobicContact CB-SD 4Å; D412-M415 PolarHBondContact O-N 3.49Å; D412-M415 VanDerWaalsContact O-N 3.13Å; D412-A416 PolarHBondContact O-N 2.93Å; D412-R439 WeakPolarHBondContact OD2-CD 3.48Å; D412-R439 IonicContact OD2-CZ 3.23Å; D412-R439 IonicContact OD2-NH1 2.86Å; D412-R439 PolarHBondContact OD2-NH1 2.95Å; D412-Q440 PolarHBondContact OD1-NE2 3.33Å | ||
| 413 | M | 79.7 | Confident | 76.5 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -51.9 | -39.9 | 173.7 | -172.7 | -178.7 | 82.9 | 0 | 0 | 112.7 | M415 A416 R434 | M413-M415 VanDerWaalsContact C-N 3.31Å; M413-M415 PolarHBondContact O-N 3.14Å; M413-A416 PolarHBondContact O-N 2.99Å; M413-R434 HydrophobicContact CE-CB 4.17Å; M413-R434 HydrophobicContact CG-CB 3.61Å; M413-R434 HydrophobicContact CG-CG 4.49Å; M413-R434 HydrophobicContact SD-CB 3.33Å; M413-R434 WeakPolarHBondContact SD-CB 3.43Å; M413-R434 HydrophobicContact SD-CG 4.38Å |
| 414 | N | 79.2 | Confident | 74.3 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 47% | 0.465 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -76.9 | -19 | -176 | -67 | -14.9 | 0 | 0 | 0 | 112.7 | D412 I417 | D412-N414 PolarHBondContact O-N 2.96Å; D412-N414 PolarHBondContact OD1-N 2.97Å; N414-I417 VanDerWaalsContact O-CD1 3.3Å; N414-I417 WeakPolarHBondContact O-CD1 3.42Å; N414-I417 WeakPolarHBondContact O-CG1 3.2Å |
| 415 | M | 76.5 | Confident | 71.6 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -88.8 | -13.5 | 176.4 | -67.3 | -178.8 | 47.1 | 0 | 0 | 113 | P88 K179 Q180 N408 Y411 D412 M413 I417 | P88-M415 HydrophobicContact CB-CE 3.92Å; K179-M415 HydrophobicContact CB-CE 3.76Å; K179-M415 HydrophobicContact CD-CE 3.6Å; K179-M415 HydrophobicContact CD-SD 3.96Å; K179-M415 HydrophobicContact CG-CE 4.25Å; Q180-M415 PolarHBondContact NE2-O 2.91Å; N408-M415 HydrophobicContact CB-CB 3.95Å; N408-M415 PolarHBondContact ND2-O 3.3Å; Y411-M415 HydrophobicContact CD1-SD 4.01Å; Y411-M415 HydrophobicContact CE1-SD 4.15Å; D412-M415 HydrophobicContact CB-CB 4.13Å; D412-M415 HydrophobicContact CB-CG 3.93Å; D412-M415 HydrophobicContact CB-SD 4Å; D412-M415 PolarHBondContact O-N 3.49Å; D412-M415 VanDerWaalsContact O-N 3.13Å; M413-M415 VanDerWaalsContact C-N 3.31Å; M413-M415 PolarHBondContact O-N 3.14Å; M415-I417 PolarHBondContact O-N 2.88Å |
| 416 | A | 71.3 | Confident | 69.3 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | trans | -83.1 | 7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D412 M413 T418 | D412-A416 PolarHBondContact O-N 2.93Å; M413-A416 PolarHBondContact O-N 2.99Å; A416-T418 PolarHBondContact O-N 3.48Å; A416-T418 VanDerWaalsContact O-N 3.16Å | ||
| 417 | I | 71.7 | Confident | 66.6 | Low | 94 Ų | 94 | 69.8 Ų | 69.8 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -64 | 116.4 | -177.9 | -59.2 | 170.4 | 0 | 0 | 0 | 109 | Q180 N414 M415 | Q180-I417 PolarHBondContact NE2-O 2.92Å; N414-I417 VanDerWaalsContact O-CD1 3.3Å; N414-I417 WeakPolarHBondContact O-CD1 3.42Å; N414-I417 WeakPolarHBondContact O-CG1 3.2Å; M415-I417 PolarHBondContact O-N 2.88Å |
| 418 | T | 68.9 | Low | 63.8 | Low | 62 Ų | 62 | 78.3 Ų | 78.3 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.7 | 169.5 | 42 | 0 | 0 | 0 | 0 | 109.5 | L402 A416 L420 | L402-T418 HydrophobicContact CD2-CG2 4.4Å; A416-T418 PolarHBondContact O-N 3.48Å; A416-T418 VanDerWaalsContact O-N 3.16Å; T418-L420 PolarHBondContact O-N 2.77Å |
| 419 | P | 62.2 | Low | 61.2 | Low | 42 Ų | 42 | 82.1 Ų | 82.1 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -60 | 135.9 | -179 | -12.8 | 22.7 | 0 | 0 | 0 | 111 | V401 G421 L422 | V401-P419 HydrophobicContact CG1-CG 4.18Å; P419-G421 PolarHBondContact O-N 2.61Å; P419-L422 HydrophobicContact CB-CD1 3.73Å; P419-L422 HydrophobicContact CG-CD1 3.82Å |
| 420 | L | 55.7 | Low | 59 | Low | 178 Ų | 178 | 87.7 Ų | 87.7 | 93% | 0.932 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.5 | -177.8 | -91.1 | 105.3 | 0 | 0 | 0 | 111.6 | T418 | T418-L420 PolarHBondContact O-N 2.77Š|
| 421 | G | 54 | Low | 56.8 | Low | 82 Ų | 82 | 92.2 Ų | 92.2 | 85% | 0.845 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.9 | -0.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P419 | P419-G421 PolarHBondContact O-N 2.61Š|
| 422 | L | 55.9 | Low | 55.2 | Low | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 56% | 0.555 | S | S | . | * | trans | -100.6 | -1.5 | -174.2 | -70.7 | 167 | 0 | 0 | 0 | 115.5 | L398 P419 | L398-L422 HydrophobicContact CD1-CB 4.46Å; L398-L422 HydrophobicContact CD1-CD1 3.7Å; L398-L422 HydrophobicContact CD1-CD2 3.49Å; L398-L422 VanDerWaalsContact CD1-CD2 3.49Å; L398-L422 HydrophobicContact CD1-CG 4.08Å; L398-L422 HydrophobicContact CD2-CD2 4.12Å; L398-L422 HydrophobicContact CG-CD2 4.47Å; P419-L422 HydrophobicContact CB-CD1 3.73Å; P419-L422 HydrophobicContact CG-CD1 3.82Å | ||
| 423 | E | 51.8 | Low | 54 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -118.3 | 135.4 | 170.1 | -65.4 | -164.3 | 153.1 | 0 | 0 | 110.7 | R348 R425 | R348-E423 IonicContact CZ-OE1 2.81Å; R348-E423 IonicContact NH2-OE1 3.77Å; R348-E423 PolarHBondContact NH2-OE1 3.28Å; E423-R425 PolarHBondContact O-N 3.47Å |
| 424 | S | 43.2 | Very low | 53.4 | Low | 110 Ų | 110 | 105.7 Ų | 105.7 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | trans | -61.9 | 118.5 | -178.5 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | N426 | S424-N426 VanDerWaalsContact C-N 3.32Å; S424-N426 PolarHBondContact O-N 2.99Å | ||
| 425 | R | 35 | Very low | 53.3 | Low | 240 Ų | 240 | 103 Ų | 103 | 91% | 0.906 | 59% | 0.591 | S | S | * | * | trans | -67 | 82.6 | 177.8 | -78.6 | 178.1 | 160.1 | -178.3 | -5.7 | 111 | E423 | E423-R425 PolarHBondContact O-N 3.47Š| ||
| 426 | N | 37.8 | Very low | 53.6 | Low | 151 Ų | 151 | 104.9 Ų | 104.9 | 81% | 0.807 | 61% | 0.605 | S | S | * | * | trans | -109.3 | 90.8 | 159.7 | -78.9 | -6.5 | 0 | 0 | 0 | 109.1 | S424 | S424-N426 VanDerWaalsContact C-N 3.32Å; S424-N426 PolarHBondContact O-N 2.99Å | ||
| 427 | G | 31 | Very low | 54.2 | Low | 66 Ų | 66 | 103.5 Ų | 103.5 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 54.6 | 123.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 428 | I | 32.4 | Very low | 54.8 | Low | 181 Ų | 181 | 103.1 Ų | 103.1 | 93% | 0.928 | 59% | 0.592 | S | S | * | * | trans | 83.5 | 47.5 | 154.3 | -42 | 160.1 | 0 | 0 | 0 | 117.3 | ||||
| 429 | S | 36.7 | Very low | 55.6 | Low | 79 Ų | 79 | 104 Ų | 104 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | trans | -152 | 63.1 | 172.9 | -165 | 0 | 0 | 0 | 0 | 115.1 | S432 | S429-S432 VanDerWaalsContact OG-CA 3.26Å; S429-S432 WeakPolarHBondContact OG-CA 3.47Å; S429-S432 WeakPolarHBondContact OG-CB 3.38Å; S429-S432 PolarHBondContact OG-N 3.39Å | ||
| 430 | S | 37.8 | Very low | 56.6 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 87% | 0.874 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -13.2 | 149.2 | 48.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 431 | N | 42 | Very low | 57.9 | Low | 142 Ų | 142 | 100 Ų | 100 | 76% | 0.759 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 42.7 | 175.1 | -82.1 | -8.5 | 0 | 0 | 0 | 113.3 | V433 | N431-V433 PolarHBondContact O-N 3.03Š|
| 432 | S | 53.5 | Low | 59.5 | Low | 79 Ų | 79 | 97.2 Ų | 97.2 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | trans | -61.8 | 108.2 | 168.9 | 71.4 | 0 | 0 | 0 | 0 | 108.1 | S429 R434 | S429-S432 VanDerWaalsContact OG-CA 3.26Å; S429-S432 WeakPolarHBondContact OG-CA 3.47Å; S429-S432 WeakPolarHBondContact OG-CB 3.38Å; S429-S432 PolarHBondContact OG-N 3.39Å; S432-R434 PolarHBondContact O-N 3.32Å | ||
| 433 | V | 57.8 | Low | 60.3 | Low | 110 Ų | 110 | 95.7 Ų | 95.7 | 67% | 0.667 | 51% | 0.513 | S | S | * | . | trans | -54.5 | 110.8 | -174 | 179 | 0 | 0 | 0 | 0 | 108.3 | N431 L435 | N431-V433 PolarHBondContact O-N 3.03Å; V433-L435 HydrophobicContact CG1-CD2 4.32Å; V433-L435 PolarHBondContact O-N 3.03Å | ||
| 434 | R | 67.4 | Low | 61.2 | Low | 155 Ų | 155 | 94.7 Ų | 94.7 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 116.1 | 177.9 | -58.8 | -174.4 | 179.7 | 170.6 | 0.9 | 107.4 | M413 S432 | M413-R434 HydrophobicContact CE-CB 4.17Å; M413-R434 HydrophobicContact CG-CB 3.61Å; M413-R434 HydrophobicContact CG-CG 4.49Å; M413-R434 HydrophobicContact SD-CB 3.33Å; M413-R434 WeakPolarHBondContact SD-CB 3.43Å; M413-R434 HydrophobicContact SD-CG 4.38Å; S432-R434 PolarHBondContact O-N 3.32Å |
| 435 | L | 77.2 | Confident | 62.3 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 15% | 0.152 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 132.4 | -177.2 | -61.9 | 173.5 | 0 | 0 | 0 | 109 | P337 A340 V341 V433 G437 | P337-L435 HydrophobicContact CB-CD2 4.42Å; A340-L435 HydrophobicContact CB-CD1 3.69Å; V341-L435 HydrophobicContact CG2-CB 3.87Å; V341-L435 HydrophobicContact CG2-CD1 3.83Å; V433-L435 HydrophobicContact CG1-CD2 4.32Å; V433-L435 PolarHBondContact O-N 3.03Å; L435-G437 PolarHBondContact O-N 3.13Å |
| 436 | P | 81.8 | Confident | 64.1 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.8 | -178.2 | 27.3 | -33.8 | 0 | 0 | 0 | 110.6 | Q440 | P436-Q440 HydrophobicContact CB-CB 4.15Š|
| 437 | G | 83.7 | Confident | 65.8 | Low | 2 Ų | 2 | 80.7 Ų | 80.7 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | trans | -77.4 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y411 L435 R439 Q440 R441 | Y411-G437 CarbonylContact O-C 3.49Å; L435-G437 PolarHBondContact O-N 3.13Å; G437-R439 VanDerWaalsContact C-N 3.27Å; G437-R439 PolarHBondContact O-N 3.35Å; G437-Q440 VanDerWaalsContact N-OE1 3.15Å; G437-Q440 PolarHBondContact O-N 3.09Å; G437-R441 WeakPolarHBondContact O-CG 3.29Å; G437-R441 PolarHBondContact O-N 3.42Å | ||
| 438 | L | 85.9 | Confident | 68.5 | Low | 86 Ų | 86 | 81 Ų | 81 | 45% | 0.45 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 176.7 | -177.1 | 64.5 | 0 | 0 | 0 | 111.8 | I410 Y411 Q440 R441 L442 | I410-L438 WeakPolarHBondContact O-CB 3.41Å; I410-L438 PolarHBondContact O-N 2.92Å; Y411-L438 PolarHBondContact O-N 3.13Å; L438-Q440 PolarHBondContact O-N 3.46Å; L438-R441 PolarHBondContact O-N 3.41Å; L438-L442 HydrophobicContact CD1-CD1 4.04Å; L438-L442 HydrophobicContact CD1-CG 4.19Å; L438-L442 HydrophobicContact CD2-CD1 4.43Å; L438-L442 HydrophobicContact CG-CD1 3.84Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 VanDerWaalsContact O-CG 3.29Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.26Å; L438-L442 VanDerWaalsContact O-N 3.08Å |
| 439 | R | 85.8 | Confident | 71 | Confident | 82 Ų | 82 | 73.5 Ų | 73.5 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 179.4 | -175.7 | -178.8 | 177.6 | -171.1 | -2.8 | 111.8 | Y411 D412 G437 R441 L442 E443 A1731 | Y411-R439 HydrophobicContact CD2-CB 4.49Å; Y411-R439 HydrophobicContact CE2-CB 4.17Å; Y411-R439 WeakPolarHBondContact O-CB 2.96Å; Y411-R439 PolarHBondContact O-N 3.34Å; D412-R439 WeakPolarHBondContact OD2-CD 3.48Å; D412-R439 IonicContact OD2-CZ 3.23Å; D412-R439 IonicContact OD2-NH1 2.86Å; D412-R439 PolarHBondContact OD2-NH1 2.95Å; G437-R439 VanDerWaalsContact C-N 3.27Å; G437-R439 PolarHBondContact O-N 3.35Å; R439-R441 VanDerWaalsContact C-N 3.31Å; R439-R441 PolarHBondContact O-N 2.73Å; R439-L442 PolarHBondContact O-N 3.12Å; R439-L442 VanDerWaalsContact O-N 3.14Å; R439-E443 HydrophobicContact CG-CG 4.22Å; R439-E443 WeakPolarHBondContact CG-OE2 3.34Å; R439-E443 IonicContact CZ-OE2 3.33Å; R439-E443 IonicContact NE-OE2 3.53Å; R439-E443 PolarHBondContact NE-OE2 2.77Å; R439-E443 IonicContact NH2-OE2 2.61Å; R439-E443 WeakPolarHBondContact O-CB 3.37Å; R439-E443 PolarHBondContact O-N 3.38Å; R439-A1731 HydrophobicContact CG-CB 4.24Å |
| 440 | Q | 82.6 | Confident | 73.1 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -36 | 179.2 | -71.7 | 75.3 | 24.9 | 0 | 0 | 112.4 | D412 P436 G437 L438 L442 | D412-Q440 PolarHBondContact OD1-NE2 3.33Å; P436-Q440 HydrophobicContact CB-CB 4.15Å; G437-Q440 VanDerWaalsContact N-OE1 3.15Å; G437-Q440 PolarHBondContact O-N 3.09Å; L438-Q440 PolarHBondContact O-N 3.46Å; Q440-L442 VanDerWaalsContact C-N 3.25Å; Q440-L442 PolarHBondContact O-N 3.44Å |
| 441 | R | 83.7 | Confident | 75.3 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.7 | -21.5 | 176.6 | -68.1 | 173.6 | 67.2 | 179.9 | 2 | 113.2 | E338 G437 L438 R439 G447 L448 | E338-R441 IonicContact OE2-CZ 3.88Å; E338-R441 IonicContact OE2-NH1 3.09Å; E338-R441 PolarHBondContact OE2-NH1 2.93Å; E338-R441 IonicContact OE2-NH2 2.77Å; G437-R441 WeakPolarHBondContact O-CG 3.29Å; G437-R441 PolarHBondContact O-N 3.42Å; L438-R441 PolarHBondContact O-N 3.41Å; R439-R441 VanDerWaalsContact C-N 3.31Å; R439-R441 PolarHBondContact O-N 2.73Å; R441-G447 VanDerWaalsContact O-CA 3.25Å; R441-G447 WeakPolarHBondContact O-CA 3.45Å; R441-L448 PolarHBondContact O-N 3.45Å |
| 442 | L | 85.9 | Confident | 77.4 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 13% | 0.126 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -98.3 | -42.1 | -179.8 | -66.4 | 178.2 | 0 | 0 | 0 | 113.3 | L438 R439 Q440 L448 F449 V1730 | L438-L442 HydrophobicContact CD1-CD1 4.04Å; L438-L442 HydrophobicContact CD1-CG 4.19Å; L438-L442 HydrophobicContact CD2-CD1 4.43Å; L438-L442 HydrophobicContact CG-CD1 3.84Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 VanDerWaalsContact O-CG 3.29Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.26Å; L438-L442 VanDerWaalsContact O-N 3.08Å; R439-L442 PolarHBondContact O-N 3.12Å; R439-L442 VanDerWaalsContact O-N 3.14Å; Q440-L442 VanDerWaalsContact C-N 3.25Å; Q440-L442 PolarHBondContact O-N 3.44Å; L442-L448 HydrophobicContact CD2-CB 4.09Å; L442-L448 HydrophobicContact CD2-CD2 4.04Å; L442-F449 HydrophobicContact CD2-CD2 4.35Å; L442-F449 HydrophobicContact CD2-CE2 4.17Å; L442-V1730 HydrophobicContact CB-CB 4.28Å; L442-V1730 HydrophobicContact CB-CG1 4.16Å; L442-V1730 HydrophobicContact CD1-CG1 4.26Å |
| 443 | E | 74.5 | Confident | 79.1 | Confident | 46 Ų | 46 | 66.4 Ų | 66.4 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -90.9 | -8.6 | -164.1 | -66.7 | -166.6 | 142.2 | 0 | 0 | 116.2 | R439 T1729 V1730 A1731 | R439-E443 HydrophobicContact CG-CG 4.22Å; R439-E443 WeakPolarHBondContact CG-OE2 3.34Å; R439-E443 IonicContact CZ-OE2 3.33Å; R439-E443 IonicContact NE-OE2 3.53Å; R439-E443 PolarHBondContact NE-OE2 2.77Å; R439-E443 IonicContact NH2-OE2 2.61Å; R439-E443 WeakPolarHBondContact O-CB 3.37Å; R439-E443 PolarHBondContact O-N 3.38Å; E443-T1729 WeakPolarHBondContact OE1-CA 3.35Å; E443-V1730 HydrophobicContact CG-CB 4.08Å; E443-V1730 PolarHBondContact OE1-N 3.08Å; E443-A1731 HydrophobicContact CG-CB 4.39Å; E443-A1731 WeakPolarHBondContact OE1-CA 3.38Å; E443-A1731 WeakPolarHBondContact OE1-CB 3.41Å; E443-A1731 PolarHBondContact OE1-N 3.41Å |
| 444 | R | 69.3 | Low | 80.4 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -85.8 | 169.6 | 180 | -76 | -174.4 | 157.2 | 166.7 | -1.6 | 113.6 | E446 G447 E1396 D1397 | R444-E446 VanDerWaalsContact C-N 3.32Å; R444-G447 VanDerWaalsContact C-N 3.34Å; R444-G447 WeakPolarHBondContact O-CA 3.44Å; R444-G447 PolarHBondContact O-N 2.9Å; R444-E1396 PolarHBondContact NH2-O 3.28Å; R444-D1397 IonicContact CZ-OD1 3.16Å; R444-D1397 IonicContact NE-OD1 3.52Å; R444-D1397 PolarHBondContact NE-OD1 2.91Å; R444-D1397 IonicContact NH2-OD1 3.29Å; R444-D1397 PolarHBondContact NH2-OD1 3.32Å; R444-D1397 VanDerWaalsContact NH2-OD1 3.12Å |
| 445 | K | 65.9 | Low | 81.3 | Confident | 60 Ų | 60 | 56.9 Ų | 56.9 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -44.7 | 168.5 | -63.9 | -174 | -179.6 | 162.1 | 0 | 112.2 | G447 R450 D1460 D1461 | K445-G447 PolarHBondContact O-N 3.34Å; K445-R450 WeakPolarHBondContact O-CB 3.32Å; K445-D1460 VanDerWaalsContact CE-O 3.27Å; K445-D1460 WeakPolarHBondContact CE-O 3.47Å; K445-D1460 PolarHBondContact NZ-O 2.84Å; K445-D1461 VanDerWaalsContact NZ-N 3.19Å; K445-D1461 IonicContact NZ-OD1 3.73Å; K445-D1461 PolarHBondContact NZ-OD1 3.27Å |
| 446 | E | 73.9 | Confident | 81.8 | Confident | 145 Ų | 145 | 61.1 Ų | 61.1 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 1.5 | 170.3 | -57.4 | -176 | 163.1 | 0 | 0 | 112.5 | R444 M451 | R444-E446 VanDerWaalsContact C-N 3.32Å; E446-M451 HydrophobicContact CB-SD 4.15Å |
| 447 | G | 74 | Confident | 82.2 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -68.1 | 159.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R441 R444 K445 F449 R450 M451 | R441-G447 VanDerWaalsContact O-CA 3.25Å; R441-G447 WeakPolarHBondContact O-CA 3.45Å; R444-G447 VanDerWaalsContact C-N 3.34Å; R444-G447 WeakPolarHBondContact O-CA 3.44Å; R444-G447 PolarHBondContact O-N 2.9Å; K445-G447 PolarHBondContact O-N 3.34Å; G447-F449 VanDerWaalsContact C-N 3.35Å; G447-F449 PolarHBondContact O-N 2.79Å; G447-R450 PolarHBondContact O-N 3.36Å; G447-M451 PolarHBondContact O-N 3.27Å; G447-M451 VanDerWaalsContact O-N 3.08Å |
| 448 | L | 86.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | I | π-helix | trans | -53.6 | -46.2 | -172.3 | -174.5 | 68.2 | 0 | 0 | 0 | 113.6 | R441 L442 R450 H452 M453 | R441-L448 PolarHBondContact O-N 3.45Å; L442-L448 HydrophobicContact CD2-CB 4.09Å; L442-L448 HydrophobicContact CD2-CD2 4.04Å; L448-R450 PolarHBondContact O-N 3.02Å; L448-H452 HydrophobicContact CD1-CB 4.06Å; L448-H452 WeakPolarHBondContact O-CB 3.26Å; L448-H452 PolarHBondContact O-N 2.89Å; L448-M453 HydrophobicContact CD2-CE 3.65Å; L448-M453 HydrophobicContact CG-CE 3.83Å; L448-M453 HydrophobicContact CG-CG 4.4Å; L448-M453 HydrophobicContact CG-SD 4.24Å; L448-M453 PolarHBondContact O-N 3.48Å |
| 449 | F | 86 | Confident | 82.8 | Confident | 25 Ų | 25 | 72 Ų | 72 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -64.7 | -42.5 | -174.5 | -82 | -85.3 | 0 | 0 | 0 | 112.5 | L442 G447 M453 M454 I1722 M1725 T1726 V1730 V1754 | L442-F449 HydrophobicContact CD2-CD2 4.35Å; L442-F449 HydrophobicContact CD2-CE2 4.17Å; G447-F449 VanDerWaalsContact C-N 3.35Å; G447-F449 PolarHBondContact O-N 2.79Å; F449-M453 HydrophobicContact CD1-SD 3.74Å; F449-M453 HydrophobicContact CE1-SD 3.95Å; F449-M453 HydrophobicContact CG-SD 4.15Å; F449-M453 WeakPolarHBondContact O-CB 3.25Å; F449-M454 VanDerWaalsContact O-CG 3.26Å; F449-M454 WeakPolarHBondContact O-CG 3.37Å; F449-M454 PolarHBondContact O-N 2.81Å; F449-I1722 HydrophobicContact CE1-CG2 4.42Å; F449-M1725 HydrophobicContact CE1-CB 4.25Å; F449-M1725 HydrophobicContact CZ-CB 4.3Å; F449-M1725 HydrophobicContact CZ-SD 4.03Å; F449-T1726 HydrophobicContact CD1-CG2 4.05Å; F449-V1730 HydrophobicContact CD2-CG1 3.89Å; F449-V1730 HydrophobicContact CD2-CG2 3.76Å; F449-V1730 HydrophobicContact CE2-CG1 3.48Å; F449-V1730 VanDerWaalsContact CE2-CG1 3.48Å; F449-V1730 HydrophobicContact CE2-CG2 4.22Å; F449-V1730 HydrophobicContact CG-CG2 4.39Å; F449-V1730 HydrophobicContact CZ-CG1 4.29Å; F449-V1754 HydrophobicContact CD1-CG2 4.17Å; F449-V1754 HydrophobicContact CE1-CG1 4.37Å; F449-V1754 HydrophobicContact CE1-CG2 4.27Å |
| 450 | R | 79 | Confident | 83.2 | Confident | 41 Ų | 41 | 72 Ų | 72 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | I | π-helix | trans | -83.4 | -52.8 | -176.1 | -70.5 | -179 | 62.8 | 171.4 | 1 | 112.4 | K445 G447 L448 G455 R1026 D1458 | K445-R450 WeakPolarHBondContact O-CB 3.32Å; G447-R450 PolarHBondContact O-N 3.36Å; L448-R450 PolarHBondContact O-N 3.02Å; R450-G455 PolarHBondContact O-N 2.79Å; R450-R1026 VanDerWaalsContact CD-NH2 3.26Å; R450-R1026 VanDerWaalsContact NH1-CZ 3.31Å; R450-D1458 IonicContact CZ-OD2 2.74Å; R450-D1458 IonicContact NE-OD2 3.35Å; R450-D1458 IonicContact NH2-OD2 2.88Å; R450-D1458 PolarHBondContact NH2-OD2 2.75Å |
| 451 | M | 83.9 | Confident | 83.7 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -79.7 | -29.1 | -170.7 | -178.6 | 179 | 168.4 | 0 | 0 | 114.2 | E446 G447 G455 | E446-M451 HydrophobicContact CB-SD 4.15Å; G447-M451 PolarHBondContact O-N 3.27Å; G447-M451 VanDerWaalsContact O-N 3.08Å; M451-G455 CarbonylContact C-O 3.56Å; M451-G455 VanDerWaalsContact C-O 3.26Å; M451-G455 CarbonylContact O-C 3.38Å |
| 452 | H | 87.1 | Confident | 84.2 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 48% | 0.477 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -119.6 | -22 | -170.5 | -64.6 | -59.8 | 0 | 0 | 0 | 114.3 | L448 G455 K456 | L448-H452 HydrophobicContact CD1-CB 4.06Å; L448-H452 WeakPolarHBondContact O-CB 3.26Å; L448-H452 PolarHBondContact O-N 2.89Å; H452-G455 CarbonylContact C-O 3.54Å; H452-G455 VanDerWaalsContact C-O 3.22Å; H452-G455 VanDerWaalsContact CA-O 3.32Å; H452-G455 WeakPolarHBondContact CA-O 3.49Å; H452-G455 PolarHBondContact N-O 3.36Å; H452-K456 VanDerWaalsContact O-CE 3.24Å; H452-K456 WeakPolarHBondContact O-CE 3.28Å; H452-K456 WeakPolarHBondContact O-CG 3.36Å |
| 453 | M | 88.6 | Confident | 84.6 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -100.1 | -52.2 | 176.7 | -64 | 177 | 164.7 | 0 | 0 | 112.2 | L448 F449 K456 V1754 | L448-M453 HydrophobicContact CD2-CE 3.65Å; L448-M453 HydrophobicContact CG-CE 3.83Å; L448-M453 HydrophobicContact CG-CG 4.4Å; L448-M453 HydrophobicContact CG-SD 4.24Å; L448-M453 PolarHBondContact O-N 3.48Å; F449-M453 HydrophobicContact CD1-SD 3.74Å; F449-M453 HydrophobicContact CE1-SD 3.95Å; F449-M453 HydrophobicContact CG-SD 4.15Å; F449-M453 WeakPolarHBondContact O-CB 3.25Å; M453-K456 WeakPolarHBondContact O-CE 3.22Å; M453-V1754 HydrophobicContact CB-CG2 4.24Å; M453-V1754 HydrophobicContact CE-CG1 4.36Å; M453-V1754 HydrophobicContact SD-CG1 3.83Å; M453-V1754 HydrophobicContact SD-CG2 4.14Å |
| 454 | M | 86.5 | Confident | 85.5 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 26% | 0.256 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -78.3 | -51.9 | 177.7 | -63.3 | -60.9 | 91.2 | 0 | 0 | 111.8 | F449 T1726 L1753 V1754 | F449-M454 VanDerWaalsContact O-CG 3.26Å; F449-M454 WeakPolarHBondContact O-CG 3.37Å; F449-M454 PolarHBondContact O-N 2.81Å; M454-T1726 HydrophobicContact CE-CG2 4.41Å; M454-T1726 HydrophobicContact CG-CG2 4.26Å; M454-T1726 HydrophobicContact SD-CG2 4.06Å; M454-L1753 HydrophobicContact CE-CB 3.77Å; M454-V1754 HydrophobicContact CE-CB 4.47Å; M454-V1754 HydrophobicContact CE-CG2 3.42Å; M454-V1754 VanDerWaalsContact CE-CG2 3.42Å |
| 455 | G | 85.5 | Confident | 86.7 | Confident | 13 Ų | 13 | 67 Ų | 67 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -87.2 | 139.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R450 M451 H452 | R450-G455 PolarHBondContact O-N 2.79Å; M451-G455 CarbonylContact C-O 3.56Å; M451-G455 VanDerWaalsContact C-O 3.26Å; M451-G455 CarbonylContact O-C 3.38Å; H452-G455 CarbonylContact C-O 3.54Å; H452-G455 VanDerWaalsContact C-O 3.22Å; H452-G455 VanDerWaalsContact CA-O 3.32Å; H452-G455 WeakPolarHBondContact CA-O 3.49Å; H452-G455 PolarHBondContact N-O 3.36Å |
| 456 | K | 87.5 | Confident | 88.1 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | trans | -142.9 | 145.8 | 175.6 | -69.3 | -177.7 | -174 | 166.5 | 0 | 111.1 | H452 M453 V458 | H452-K456 VanDerWaalsContact O-CE 3.24Å; H452-K456 WeakPolarHBondContact O-CE 3.28Å; H452-K456 WeakPolarHBondContact O-CG 3.36Å; M453-K456 WeakPolarHBondContact O-CE 3.22Å; K456-V458 PolarHBondContact O-N 3.32Å | ||
| 457 | R | 90.1 | Very high | 89 | Confident | 162 Ų | 162 | 59.1 Ų | 59.1 | 61% | 0.611 | 30% | 0.296 | S | S | * | . | trans | -73.2 | 122.6 | 166.1 | -57.6 | -161.2 | 150 | -121.7 | 5.2 | 108.2 | Q1455 | R457-Q1455 HydrophobicContact CB-CG 4.48Å; R457-Q1455 VanDerWaalsContact CB-NE2 3.34Å; R457-Q1455 HydrophobicContact CG-CB 3.81Å; R457-Q1455 HydrophobicContact CG-CG 4.06Å | ||
| 458 | V | 90.9 | Very high | 90 | Very high | 73 Ų | 73 | 61.6 Ų | 61.6 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | trans | -106 | 149 | -176 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | K456 A461 | K456-V458 PolarHBondContact O-N 3.32Å; V458-A461 HydrophobicContact CG2-CB 4.13Å | ||
| 459 | N | 92.5 | Very high | 90.3 | Very high | 139 Ų | 139 | 58.9 Ų | 58.9 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -84.3 | 168.3 | 171.1 | -68.1 | -31 | 0 | 0 | 0 | 111.2 | A461 | N459-A461 VanDerWaalsContact C-N 3.29Å; N459-A461 PolarHBondContact O-N 3.2Å |
| 460 | F | 93.1 | Very high | 90.5 | Very high | 84 Ų | 84 | 58.8 Ų | 58.8 | 37% | 0.368 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 55.3 | 40.1 | 177 | -53.1 | -78.1 | 0 | 0 | 0 | 114.1 | T488 F623 Q625 | F460-T488 WeakPolarHBondContact CE1-OG1 3.19Å; F460-F623 WeakPolarHBondContact O-CB 3.35Å; F460-F623 PolarHBondContact O-N 3.34Å; F460-Q625 HydrophobicContact CD2-CG 3.69Å; F460-Q625 HydrophobicContact CE2-CG 4.1Å; F460-Q625 HydrophobicContact CG-CG 4.17Å; F460-Q625 VanDerWaalsContact CG-NE2 3.34Å |
| 461 | A | 93.9 | Very high | 90.9 | Very high | 42 Ų | 42 | 61.5 Ų | 61.5 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 158.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | V458 N459 G621 | V458-A461 HydrophobicContact CG2-CB 4.13Å; N459-A461 VanDerWaalsContact C-N 3.29Å; N459-A461 PolarHBondContact O-N 3.2Å; A461-G621 CarbonylContact C-O 3.6Å; A461-G621 VanDerWaalsContact CA-O 3.24Å; A461-G621 WeakPolarHBondContact CA-O 3.48Å |
| 462 | C | 93.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 58.1 Ų | 58.1 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 159.2 | 171 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | F483 L487 N620 G621 | C462-F483 HydrophobicContact CB-CD1 3.9Å; C462-F483 HydrophobicContact CB-CD2 4.2Å; C462-F483 HydrophobicContact CB-CE1 4.07Å; C462-F483 HydrophobicContact CB-CE2 4.37Å; C462-F483 HydrophobicContact CB-CG 3.99Å; C462-F483 HydrophobicContact CB-CZ 4.31Å; C462-L487 HydrophobicContact CB-CD1 4.31Å; C462-N620 CarbonylContact O-C 3.52Å; C462-N620 WeakPolarHBondContact O-CA 3.25Å; C462-N620 WeakPolarHBondContact O-CB 3.31Å; C462-G621 PolarHBondContact N-O 2.88Å; C462-G621 PolarHBondContact O-N 2.75Å; C462-G621 PolarHBondContact SG-O 3.36Å |
| 463 | R | 93.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 25% | 0.249 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.1 | 175.6 | -178 | 177.3 | 174.4 | 128.3 | 9.4 | 108.1 | Q576 E618 M619 N620 E1452 | R463-Q576 VanDerWaalsContact NH1-OE1 3.08Å; R463-E618 HydrophobicContact CG-CB 4.44Å; R463-E618 IonicContact CZ-OE2 3.76Å; R463-E618 IonicContact NE-OE2 3.52Å; R463-E618 PolarHBondContact NE-OE2 3.35Å; R463-E618 IonicContact NH2-OE2 3.63Å; R463-E618 PolarHBondContact NH2-OE2 3.27Å; R463-M619 WeakPolarHBondContact CA-O 3Å; R463-N620 WeakPolarHBondContact CB-OD1 3.15Å; R463-N620 VanDerWaalsContact CD-OD1 3.27Å; R463-N620 WeakPolarHBondContact CD-OD1 3.21Å; R463-N620 VanDerWaalsContact CG-OD1 3.31Å; R463-N620 WeakPolarHBondContact CG-OD1 3.46Å; R463-E1452 PolarHBondContact NE-O 3.31Å; R463-E1452 PolarHBondContact NH1-O 3.19Å; R463-E1452 VanDerWaalsContact NH2-CG 3.32Å; R463-E1452 PolarHBondContact NH2-O 2.85Å |
| 464 | S | 94 | Very high | 91.6 | Very high | 15 Ų | 15 | 51.9 Ų | 51.9 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 154.1 | 177.3 | 175.9 | 0 | 0 | 0 | 0 | 110 | T599 L600 M619 | S464-T599 WeakPolarHBondContact OG-CA 3.46Å; S464-L600 PolarHBondContact OG-N 3.32Å; S464-M619 PolarHBondContact N-O 3.2Å; S464-M619 PolarHBondContact O-N 3.11Å; S464-M619 VanDerWaalsContact O-N 3.07Å |
| 465 | V | 95.2 | Very high | 91.8 | Very high | 53 Ų | 53 | 50.3 Ų | 50.3 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 138.9 | 161 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | T599 L600 D617 E618 | V465-T599 HydrophobicContact CB-CG2 4.35Å; V465-T599 WeakPolarHBondContact O-CB 3.31Å; V465-L600 PolarHBondContact O-N 2.98Å; V465-D617 WeakPolarHBondContact CA-O 3.46Å; V465-E618 HydrophobicContact CG2-CG 4Å |
| 466 | I | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.3 | 173.7 | 57.4 | 165.7 | 0 | 0 | 0 | 112.3 | L600 L602 A612 F614 D617 M619 | I466-L600 CarbonylContact C-O 3.58Å; I466-L600 VanDerWaalsContact CA-O 3.27Å; I466-L600 WeakPolarHBondContact CA-O 3.5Å; I466-L600 HydrophobicContact CG2-CB 4.24Å; I466-L602 HydrophobicContact CD1-CD2 4.49Å; I466-A612 HydrophobicContact CD1-CB 3.79Å; I466-F614 HydrophobicContact CB-CD1 4.34Å; I466-F614 HydrophobicContact CB-CE1 4.34Å; I466-F614 HydrophobicContact CD1-CD1 3.7Å; I466-F614 HydrophobicContact CD1-CE1 3.69Å; I466-F614 HydrophobicContact CG1-CD1 3.79Å; I466-F614 HydrophobicContact CG1-CE1 4.08Å; I466-D617 HydrophobicContact CD1-CB 4.1Å; I466-D617 HydrophobicContact CG1-CB 3.93Å; I466-D617 VanDerWaalsContact CG1-O 3.32Å; I466-D617 WeakPolarHBondContact CG1-O 3.43Å; I466-D617 PolarHBondContact N-O 3.2Å; I466-M619 HydrophobicContact CD1-CG 4.36Å; I466-M619 HydrophobicContact CD1-SD 3.88Å; I466-M619 HydrophobicContact CG2-CB 3.8Å; I466-M619 HydrophobicContact CG2-CG 3.64Å; I466-M619 HydrophobicContact CG2-SD 3.62Å |
| 467 | S | 94.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.5 | 172.8 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | T599 L600 R601 L602 | S467-T599 WeakPolarHBondContact OG-CB 3.08Å; S467-T599 PolarHBondContact OG-OG1 3.41Å; S467-L600 PolarHBondContact N-O 2.74Å; S467-R601 CarbonylContact O-C 3.54Å; S467-R601 VanDerWaalsContact O-CA 3.23Å; S467-R601 WeakPolarHBondContact O-CA 3.43Å; S467-L602 PolarHBondContact O-N 3.37Å |
| 468 | P | 93.9 | Very high | 92.8 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.9 | 178.6 | 27.9 | -32.9 | 0 | 0 | 0 | 111.8 | L602 Y604 F614 | P468-L602 WeakPolarHBondContact CA-O 3.26Å; P468-Y604 HydrophobicContact CB-CD1 4.09Å; P468-Y604 HydrophobicContact CB-CE1 3.28Å; P468-Y604 HydrophobicContact CG-CE1 4.19Å; P468-F614 HydrophobicContact CB-CD1 4.32Å; P468-F614 HydrophobicContact CB-CD2 4.16Å; P468-F614 HydrophobicContact CB-CE1 4.08Å; P468-F614 HydrophobicContact CB-CE2 3.89Å; P468-F614 HydrophobicContact CB-CG 4.35Å; P468-F614 HydrophobicContact CB-CZ 3.85Å; P468-F614 HydrophobicContact CG-CD1 4.46Å; P468-F614 HydrophobicContact CG-CD2 4.46Å; P468-F614 HydrophobicContact CG-CG 4.34Å |
| 469 | D | 92.4 | Very high | 93.1 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | trans | -142.1 | 104.9 | 169.3 | -162.1 | -28.1 | 0 | 0 | 0 | 111.9 | N471 L472 R601 L602 | D469-N471 PolarHBondContact O-N 3.23Å; D469-N471 WeakPolarHBondContact OD1-CB 3.38Å; D469-N471 PolarHBondContact OD1-N 3.43Å; D469-N471 PolarHBondContact OD1-ND2 2.84Å; D469-L472 HydrophobicContact CB-CD1 3.89Å; D469-L472 HydrophobicContact CB-CG 3.95Å; D469-L472 PolarHBondContact O-N 3.16Å; D469-R601 HydrophobicContact CB-CB 3.95Å; D469-R601 HydrophobicContact CB-CG 4.49Å; D469-R601 VanDerWaalsContact OD2-CD 3.25Å; D469-R601 WeakPolarHBondContact OD2-CD 3.44Å; D469-R601 IonicContact OD2-CZ 2.77Å; D469-R601 IonicContact OD2-NH1 2.77Å; D469-R601 PolarHBondContact OD2-NH1 3.34Å; D469-L602 PolarHBondContact N-O 3.37Å | ||
| 470 | P | 90.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 14% | 0.143 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -7.8 | 178.2 | 23.5 | -28.6 | 0 | 0 | 0 | 114.5 | Y604 | P470-Y604 HydrophobicContact CB-CD2 4.19Å; P470-Y604 HydrophobicContact CB-CE2 3.71Å; P470-Y604 HydrophobicContact CG-CE2 3.91Å |
| 471 | N | 89 | Confident | 93.2 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 52% | 0.524 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -13.5 | -179.9 | -50 | -73.5 | 0 | 0 | 0 | 112.5 | D469 N817 | D469-N471 PolarHBondContact O-N 3.23Å; D469-N471 WeakPolarHBondContact OD1-CB 3.38Å; D469-N471 PolarHBondContact OD1-N 3.43Å; D469-N471 PolarHBondContact OD1-ND2 2.84Å; N471-N817 PolarHBondContact OD1-ND2 3.34Å |
| 472 | L | 91.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -72.8 | 148.9 | 171.2 | -67.3 | 178.8 | 0 | 0 | 0 | 110.1 | D469 R590 R601 H603 | D469-L472 HydrophobicContact CB-CD1 3.89Å; D469-L472 HydrophobicContact CB-CG 3.95Å; D469-L472 PolarHBondContact O-N 3.16Å; L472-R590 HydrophobicContact CD2-CB 4.11Å; L472-R590 HydrophobicContact CD2-CG 3.86Å; L472-R601 HydrophobicContact CD1-CB 3.76Å; L472-R601 WeakPolarHBondContact CD1-O 3.44Å; L472-H603 PolarHBondContact O-CD2 3.37Å; L472-H603 VanDerWaalsContact O-CD2 3.24Å |
| 473 | S | 90.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 13% | 0.133 | 16% | 0.16 | C | C | . | . | trans | -62.1 | 151 | 166.3 | -178.4 | 0 | 0 | 0 | 0 | 110 | T475 E476 N810 | S473-T475 PolarHBondContact O-N 2.89Å; S473-T475 VanDerWaalsContact O-N 3.11Å; S473-T475 PolarHBondContact OG-N 3.33Å; S473-T475 PolarHBondContact OG-OG1 3.26Å; S473-E476 WeakPolarHBondContact CB-OE2 3.48Å; S473-E476 PolarHBondContact N-OE2 2.91Å; S473-E476 VanDerWaalsContact N-OE2 3.16Å; S473-E476 PolarHBondContact O-N 3.08Å; S473-N810 PolarHBondContact OG-ND2 3.2Å | ||
| 474 | V | 90.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -31.3 | 171.9 | 173 | 0 | 0 | 0 | 0 | 111.7 | E476 S605 N606 V639 L809 N810 | V474-E476 VanDerWaalsContact C-N 3.33Å; V474-S605 WeakPolarHBondContact CG1-OG 3.38Å; V474-N606 WeakPolarHBondContact CG1-OD1 3.44Å; V474-N606 PolarHBondContact O-ND2 3.41Å; V474-V639 HydrophobicContact CG1-CG1 4.2Å; V474-L809 HydrophobicContact CB-CD2 4.15Å; V474-L809 HydrophobicContact CG1-CD2 3.73Å; V474-L809 HydrophobicContact CG2-CB 4.39Å; V474-L809 HydrophobicContact CG2-CD2 3.52Å; V474-L809 HydrophobicContact CG2-CG 3.89Å; V474-N810 HydrophobicContact CG2-CB 4.31Å |
| 475 | T | 92.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 29.1 Ų | 29.1 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -4.5 | -179.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | S473 R588 P640 | S473-T475 PolarHBondContact O-N 2.89Å; S473-T475 VanDerWaalsContact O-N 3.11Å; S473-T475 PolarHBondContact OG-N 3.33Å; S473-T475 PolarHBondContact OG-OG1 3.26Å; T475-R588 PolarHBondContact O-N 3.43Å; T475-P640 HydrophobicContact CG2-CG 3.58Å |
| 476 | E | 93.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 23% | 0.234 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.3 | -172.8 | -73.3 | 174.2 | 162.5 | 0 | 0 | 112.7 | S473 V474 R588 R590 | S473-E476 WeakPolarHBondContact CB-OE2 3.48Å; S473-E476 PolarHBondContact N-OE2 2.91Å; S473-E476 VanDerWaalsContact N-OE2 3.16Å; S473-E476 PolarHBondContact O-N 3.08Å; V474-E476 VanDerWaalsContact C-N 3.33Å; E476-R588 CarbonylContact C-O 3.58Å; E476-R588 WeakPolarHBondContact CA-O 3.32Å; E476-R588 HydrophobicContact CG-CB 4.23Å; E476-R590 HydrophobicContact CB-CB 4.39Å |
| 477 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.4 | 167.8 | 64.8 | 0 | 0 | 0 | 0 | 109.6 | V479 L571 M573 H587 R588 V589 R590 R601 | V477-V479 HydrophobicContact CG1-CG2 4.16Å; V477-V479 PolarHBondContact O-N 3.11Å; V477-L571 HydrophobicContact CG1-CB 4.43Å; V477-L571 HydrophobicContact CG1-CD2 4.08Å; V477-M573 HydrophobicContact CB-CG 4.42Å; V477-M573 HydrophobicContact CG1-CG 4.41Å; V477-M573 HydrophobicContact CG2-CE 4.18Å; V477-M573 HydrophobicContact CG2-CG 4.18Å; V477-M573 HydrophobicContact CG2-SD 4.06Å; V477-H587 HydrophobicContact CB-CB 3.76Å; V477-H587 HydrophobicContact CG1-CB 3.62Å; V477-R588 PolarHBondContact N-O 3.22Å; V477-V589 HydrophobicContact CG1-CG2 4.35Å; V477-R590 PolarHBondContact O-N 2.81Å; V477-R601 WeakPolarHBondContact CG2-O 3.38Å |
| 478 | G | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R590 L600 R601 | G478-R590 CarbonylContact C-O 3.58Å; G478-R590 VanDerWaalsContact CA-O 3.28Å; G478-R590 WeakPolarHBondContact CA-O 3.24Å; G478-L600 CarbonylContact O-C 3.56Å; G478-L600 WeakPolarHBondContact O-CA 3.45Å; G478-R601 PolarHBondContact N-O 2.97Å; G478-R601 PolarHBondContact O-N 3.41Å |
| 479 | V | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.7 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | V477 F483 L565 L571 V589 R590 I591 I592 L600 | V477-V479 HydrophobicContact CG1-CG2 4.16Å; V477-V479 PolarHBondContact O-N 3.11Å; V479-F483 HydrophobicContact CG1-CB 3.81Å; V479-F483 HydrophobicContact CG1-CD2 4.32Å; V479-L565 HydrophobicContact CG1-CD2 4.09Å; V479-L571 HydrophobicContact CG2-CD2 3.94Å; V479-V589 HydrophobicContact CB-CG1 4.11Å; V479-V589 HydrophobicContact CG2-CG1 3.81Å; V479-V589 HydrophobicContact CG2-CG2 4.26Å; V479-R590 PolarHBondContact N-O 3.36Å; V479-I591 HydrophobicContact CB-CD1 3.86Å; V479-I591 HydrophobicContact CG1-CD1 4.19Å; V479-I591 WeakPolarHBondContact O-CA 3.25Å; V479-I592 PolarHBondContact O-N 2.99Å; V479-L600 HydrophobicContact CB-CD2 4.41Å; V479-L600 HydrophobicContact CG1-CD2 4.4Å; V479-L600 HydrophobicContact CG2-CD2 4.07Å |
| 480 | P | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 145.7 | 170.9 | -30.8 | 36.8 | 0 | 0 | 0 | 113.7 | F482 F483 A484 A597 T599 | P480-F482 PolarHBondContact O-N 3.47Å; P480-F482 VanDerWaalsContact O-N 3.13Å; P480-F483 HydrophobicContact CB-CD2 4.38Å; P480-F483 HydrophobicContact CG-CD2 4.18Å; P480-F483 HydrophobicContact CG-CE2 4.33Å; P480-F483 PolarHBondContact O-N 2.99Å; P480-F483 VanDerWaalsContact O-N 3.16Å; P480-A484 PolarHBondContact O-N 3.08Å; P480-A597 WeakPolarHBondContact CB-O 3.17Å; P480-T599 WeakPolarHBondContact CD-O 3.19Å; P480-T599 WeakPolarHBondContact CG-O 3.43Å |
| 481 | L | 93 | Very high | 93.1 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 16% | 0.162 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.9 | -35.2 | 172.6 | -82.1 | 170.3 | 0 | 0 | 0 | 112.6 | F483 A484 F485 Y512 I591 K593 | L481-F483 VanDerWaalsContact C-N 3.35Å; L481-F483 PolarHBondContact O-N 3.19Å; L481-A484 WeakPolarHBondContact O-CB 3.43Å; L481-A484 PolarHBondContact O-N 2.91Å; L481-A484 VanDerWaalsContact O-N 3.1Å; L481-F485 HydrophobicContact CB-CE2 4.2Å; L481-F485 WeakPolarHBondContact O-CD2 3.49Å; L481-F485 PolarHBondContact O-N 3.32Å; L481-F485 VanDerWaalsContact O-N 3.09Å; L481-Y512 HydrophobicContact CD2-CD1 3.78Å; L481-Y512 HydrophobicContact CD2-CE1 4.4Å; L481-Y512 HydrophobicContact CD2-CG 3.87Å; L481-I591 HydrophobicContact CD2-CG2 3.57Å; L481-I591 HydrophobicContact CG-CG2 4.07Å; L481-K593 WeakPolarHBondContact CD1-O 3.4Å |
| 482 | F | 91.7 | Very high | 93.3 | Very high | 108 Ų | 108 | 28.7 Ų | 28.7 | 47% | 0.474 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -55.3 | -45.8 | 179 | 178.4 | -99.5 | 0 | 0 | 0 | 113 | P480 | P480-F482 PolarHBondContact O-N 3.47Å; P480-F482 VanDerWaalsContact O-N 3.13Å |
| 483 | F | 93.9 | Very high | 93.4 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 13% | 0.132 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.7 | -36.4 | 175.7 | -62.9 | -39.3 | 0 | 0 | 0 | 111.6 | C462 V479 P480 L481 F485 R486 L487 L600 | C462-F483 HydrophobicContact CB-CD1 3.9Å; C462-F483 HydrophobicContact CB-CD2 4.2Å; C462-F483 HydrophobicContact CB-CE1 4.07Å; C462-F483 HydrophobicContact CB-CE2 4.37Å; C462-F483 HydrophobicContact CB-CG 3.99Å; C462-F483 HydrophobicContact CB-CZ 4.31Å; V479-F483 HydrophobicContact CG1-CB 3.81Å; V479-F483 HydrophobicContact CG1-CD2 4.32Å; P480-F483 HydrophobicContact CB-CD2 4.38Å; P480-F483 HydrophobicContact CG-CD2 4.18Å; P480-F483 HydrophobicContact CG-CE2 4.33Å; P480-F483 PolarHBondContact O-N 2.99Å; P480-F483 VanDerWaalsContact O-N 3.16Å; L481-F483 VanDerWaalsContact C-N 3.35Å; L481-F483 PolarHBondContact O-N 3.19Å; F483-F485 VanDerWaalsContact C-N 3.26Å; F483-F485 PolarHBondContact O-N 3.45Å; F483-R486 PolarHBondContact O-N 3.19Å; F483-R486 VanDerWaalsContact O-N 3.07Å; F483-L487 HydrophobicContact CB-CD1 4.35Å; F483-L487 PolarHBondContact O-N 3.48Å; F483-L600 HydrophobicContact CD2-CD2 4.15Å; F483-L600 HydrophobicContact CE2-CD2 4.29Å; F483-L600 HydrophobicContact CE2-CG 4.33Å |
| 484 | A | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -36 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P480 L481 Y512 H564 L565 I591 | P480-A484 PolarHBondContact O-N 3.08Å; L481-A484 WeakPolarHBondContact O-CB 3.43Å; L481-A484 PolarHBondContact O-N 2.91Å; L481-A484 VanDerWaalsContact O-N 3.1Å; A484-Y512 HydrophobicContact CB-CD2 4.16Å; A484-Y512 HydrophobicContact CB-CE2 3.93Å; A484-H564 WeakPolarHBondContact O-CB 3.35Å; A484-L565 PolarHBondContact O-N 3.4Å; A484-I591 HydrophobicContact CB-CD1 3.72Å; A484-I591 HydrophobicContact CB-CG1 4.26Å; A484-I591 HydrophobicContact CB-CG2 4.31Å |
| 485 | F | 90.6 | Very high | 93.3 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 26% | 0.263 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.8 | -32 | 176 | -75.8 | -65.2 | 0 | 0 | 0 | 114.2 | L481 F483 P509 N510 Y512 H564 | L481-F485 HydrophobicContact CB-CE2 4.2Å; L481-F485 WeakPolarHBondContact O-CD2 3.49Å; L481-F485 PolarHBondContact O-N 3.32Å; L481-F485 VanDerWaalsContact O-N 3.09Å; F483-F485 VanDerWaalsContact C-N 3.26Å; F483-F485 PolarHBondContact O-N 3.45Å; F485-P509 WeakPolarHBondContact CD1-O 3.24Å; F485-N510 VanDerWaalsContact CE1-C 3.47Å; F485-N510 WeakPolarHBondContact CE1-O 3.43Å; F485-N510 WeakPolarHBondContact CZ-O 3.36Å; F485-Y512 VanDerWaalsContact CE1-CB 3.47Å; F485-H564 AromaticContact CD1-CE1 3.72Å; F485-H564 AromaticContact CD1-ND1 3.84Å; F485-H564 PolarHBondContact O-CD2 3.38Å |
| 486 | R | 92 | Very high | 93.3 | Very high | 174 Ų | 174 | 46.5 Ų | 46.5 | 66% | 0.657 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -95 | -38.1 | -171.7 | -67.3 | -176.4 | 176.9 | -169.7 | -1.3 | 112.9 | F483 T488 | F483-R486 PolarHBondContact O-N 3.19Å; F483-R486 VanDerWaalsContact O-N 3.07Å; R486-T488 PolarHBondContact O-N 3.45Å |
| 487 | L | 94.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | trans | -74.4 | 121.9 | 178.6 | -65.6 | 177.3 | 0 | 0 | 0 | 109.3 | C462 F483 H564 L565 F623 | C462-L487 HydrophobicContact CB-CD1 4.31Å; F483-L487 HydrophobicContact CB-CD1 4.35Å; F483-L487 PolarHBondContact O-N 3.48Å; L487-H564 CarbonylContact O-C 3.57Å; L487-L565 HydrophobicContact CB-CB 4.2Å; L487-L565 HydrophobicContact CD1-CD2 4.16Å; L487-L565 PolarHBondContact O-N 3.2Å; L487-F623 HydrophobicContact CB-CD1 4.11Å | ||
| 488 | T | 94.5 | Very high | 93 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151 | -176.7 | 60.3 | 0 | 0 | 0 | 0 | 113 | F460 R486 T516 R563 F623 Q625 | F460-T488 WeakPolarHBondContact CE1-OG1 3.19Å; R486-T488 PolarHBondContact O-N 3.45Å; T488-T516 HydrophobicContact CG2-CG2 3.53Å; T488-T516 WeakPolarHBondContact CG2-OG1 3.4Å; T488-R563 CarbonylContact C-O 3.56Å; T488-R563 WeakPolarHBondContact CA-O 3.32Å; T488-R563 VanDerWaalsContact CB-O 3.31Å; T488-R563 WeakPolarHBondContact CB-O 3.43Å; T488-F623 WeakPolarHBondContact O-CE1 3.24Å; T488-Q625 PolarHBondContact O-NE2 2.97Å; T488-Q625 PolarHBondContact O-OE1 3.26Å |
| 489 | F | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 175.6 | -169.3 | -101.7 | 0 | 0 | 0 | 110.7 | T491 R563 F623 V624 Y627 | F489-T491 WeakPolarHBondContact CD1-OG1 3.34Å; F489-T491 PolarHBondContact O-N 2.78Å; F489-T491 PolarHBondContact O-OG1 3.03Å; F489-R563 HydrophobicContact CB-CG 4.23Å; F489-R563 PolarHBondContact N-O 2.65Å; F489-R563 WeakPolarHBondContact O-CG 3.39Å; F489-R563 PolarHBondContact O-N 2.9Å; F489-F623 HydrophobicContact CB-CE1 3.67Å; F489-F623 HydrophobicContact CB-CZ 3.64Å; F489-F623 HydrophobicContact CD2-CE1 4.27Å; F489-F623 HydrophobicContact CD2-CE2 4.36Å; F489-F623 AromaticContact CD2-CZ 3.86Å; F489-F623 HydrophobicContact CD2-CZ 3.86Å; F489-F623 HydrophobicContact CG-CE1 4.44Å; F489-F623 HydrophobicContact CG-CZ 4.09Å; F489-V624 VanDerWaalsContact CD2-O 3.25Å; F489-V624 WeakPolarHBondContact CD2-O 3.36Å; F489-V624 WeakPolarHBondContact CE2-O 3.46Å; F489-Y627 HydrophobicContact CE1-CD2 4.46Å; F489-Y627 HydrophobicContact CE1-CE1 4.02Å; F489-Y627 AromaticContact CE1-CE2 3.88Å; F489-Y627 HydrophobicContact CE1-CE2 3.88Å; F489-Y627 AromaticContact CE1-CZ 3.65Å; F489-Y627 HydrophobicContact CZ-CD1 4.4Å; F489-Y627 HydrophobicContact CZ-CD2 4.34Å; F489-Y627 HydrophobicContact CZ-CE1 4.29Å; F489-Y627 HydrophobicContact CZ-CE2 4.21Å; F489-Y627 HydrophobicContact CZ-CG 4.43Å |
| 490 | P | 94.3 | Very high | 92.8 | Very high | 34 Ų | 34 | 57 Ų | 57 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 100.5 | 178.4 | 28.3 | -34.4 | 0 | 0 | 0 | 110.1 | V560 N562 Q625 | P490-V560 HydrophobicContact CB-CG1 3.55Å; P490-N562 WeakPolarHBondContact CA-OD1 3.44Å; P490-Q625 HydrophobicContact CG-CB 4.46Å; P490-Q625 VanDerWaalsContact CG-O 3.27Å; P490-Q625 WeakPolarHBondContact CG-O 3.33Å |
| 491 | T | 94.4 | Very high | 92.7 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.043 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.6 | -179.5 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | F489 L501 V561 R563 | F489-T491 WeakPolarHBondContact CD1-OG1 3.34Å; F489-T491 PolarHBondContact O-N 2.78Å; F489-T491 PolarHBondContact O-OG1 3.03Å; T491-L501 HydrophobicContact CG2-CD1 4.03Å; T491-L501 HydrophobicContact CG2-CD2 3.97Å; T491-V561 PolarHBondContact N-O 3.41Å; T491-V561 PolarHBondContact O-N 2.69Å; T491-R563 VanDerWaalsContact OG1-CD 3.26Å; T491-R563 WeakPolarHBondContact OG1-CD 3.45Å; T491-R563 WeakPolarHBondContact OG1-CG 3.43Å; T491-R563 PolarHBondContact OG1-NE 3.47Å |
| 492 | P | 92.9 | Very high | 92.8 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 23% | 0.227 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 138.8 | 175.4 | 27.6 | -32.7 | 0 | 0 | 0 | 110.5 | T494 N497 P558 V560 Y627 | P492-T494 PolarHBondContact O-N 3.18Å; P492-N497 PolarHBondContact O-ND2 3.19Å; P492-P558 HydrophobicContact CB-CB 4.23Å; P492-P558 HydrophobicContact CB-CG 3.9Å; P492-V560 HydrophobicContact CB-CG2 4.5Å; P492-Y627 HydrophobicContact CG-CE2 4.22Å |
| 493 | V | 92.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -74 | 114.8 | 179 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | L498 L501 L547 I559 V561 | V493-L498 HydrophobicContact CG1-CD1 3.58Å; V493-L501 HydrophobicContact CB-CD1 4.38Å; V493-L501 HydrophobicContact CG2-CD1 3.81Å; V493-L547 HydrophobicContact CG1-CB 4.41Å; V493-L547 HydrophobicContact CG2-CB 4.44Å; V493-L547 HydrophobicContact CG2-CD1 4.48Å; V493-L547 HydrophobicContact CG2-CD2 4.18Å; V493-I559 WeakPolarHBondContact CB-O 2.99Å; V493-I559 HydrophobicContact CG2-CB 4.29Å; V493-I559 HydrophobicContact CG2-CG2 4.35Å; V493-I559 VanDerWaalsContact CG2-O 3.27Å; V493-I559 WeakPolarHBondContact CG2-O 3.26Å; V493-I559 PolarHBondContact N-O 3.43Å; V493-V561 HydrophobicContact CG2-CG2 3.83Å | ||
| 494 | T | 90.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 57 Ų | 57 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -115.5 | 168.2 | 176.1 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | P492 F496 N497 L498 | P492-T494 PolarHBondContact O-N 3.18Å; T494-F496 PolarHBondContact O-N 3.09Å; T494-N497 PolarHBondContact N-OD1 2.87Å; T494-N497 PolarHBondContact O-OD1 3.3Å; T494-N497 VanDerWaalsContact O-OD1 3.11Å; T494-N497 PolarHBondContact OG1-N 3.45Å; T494-N497 PolarHBondContact OG1-ND2 3.04Å; T494-N497 PolarHBondContact OG1-OD1 3.44Å; T494-N497 VanDerWaalsContact OG1-OD1 3.12Å; T494-L498 WeakPolarHBondContact O-CB 3.45Å; T494-L498 PolarHBondContact O-N 3.22Å; T494-L498 VanDerWaalsContact O-N 3.12Å | ||
| 495 | K | 90.1 | Very high | 93 | Very high | 174 Ų | 174 | 57 Ų | 57 | 76% | 0.757 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.6 | 175.5 | -171 | 177.5 | 177.5 | -177.7 | 0 | 112.3 | ||
| 496 | F | 90.4 | Very high | 93.1 | Very high | 197 Ų | 197 | 57.2 Ų | 57.2 | 86% | 0.864 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -37.8 | -175.7 | -53.7 | -75 | 0 | 0 | 0 | 113.1 | T494 | T494-F496 PolarHBondContact O-N 3.09Š|
| 497 | N | 92.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 50.3 Ų | 50.3 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -4.9 | -176.1 | 69.3 | 14.9 | 0 | 0 | 0 | 113.9 | P492 T494 V499 H500 L501 | P492-N497 PolarHBondContact O-ND2 3.19Å; T494-N497 PolarHBondContact N-OD1 2.87Å; T494-N497 PolarHBondContact O-OD1 3.3Å; T494-N497 VanDerWaalsContact O-OD1 3.11Å; T494-N497 PolarHBondContact OG1-N 3.45Å; T494-N497 PolarHBondContact OG1-ND2 3.04Å; T494-N497 PolarHBondContact OG1-OD1 3.44Å; T494-N497 VanDerWaalsContact OG1-OD1 3.12Å; N497-V499 PolarHBondContact O-N 3.34Å; N497-H500 WeakPolarHBondContact O-CB 3.25Å; N497-H500 PolarHBondContact O-N 2.92Å; N497-H500 VanDerWaalsContact O-N 3.09Å; N497-L501 HydrophobicContact CB-CD1 4.36Å; N497-L501 HydrophobicContact CB-CG 4.28Å; N497-L501 WeakPolarHBondContact O-CG 3.39Å; N497-L501 PolarHBondContact O-N 3.14Å; N497-L501 WeakPolarHBondContact OD1-CD1 3.4Å |
| 498 | L | 91.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.5 | -49.1 | -173.8 | 179.1 | 66.5 | 0 | 0 | 0 | 113.2 | V493 T494 H500 L501 R502 L547 | V493-L498 HydrophobicContact CG1-CD1 3.58Å; T494-L498 WeakPolarHBondContact O-CB 3.45Å; T494-L498 PolarHBondContact O-N 3.22Å; T494-L498 VanDerWaalsContact O-N 3.12Å; L498-H500 VanDerWaalsContact C-N 3.31Å; L498-H500 PolarHBondContact O-N 3.49Å; L498-L501 PolarHBondContact O-N 2.82Å; L498-R502 HydrophobicContact CD1-CG 4.39Å; L498-R502 WeakPolarHBondContact O-CB 3.17Å; L498-R502 VanDerWaalsContact O-CG 3.29Å; L498-R502 WeakPolarHBondContact O-CG 3.43Å; L498-R502 PolarHBondContact O-N 3.02Å; L498-L547 HydrophobicContact CD1-CB 3.92Å |
| 499 | V | 93 | Very high | 92.7 | Very high | 119 Ų | 119 | 50.1 Ų | 50.1 | 72% | 0.721 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.3 | -43.5 | -178.8 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | N497 Q503 | N497-V499 PolarHBondContact O-N 3.34Å; V499-Q503 PolarHBondContact O-N 2.96Å |
| 500 | H | 92.8 | Very high | 92.4 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 179.2 | -176.2 | 63.9 | 0 | 0 | 0 | 111.9 | N497 L498 R502 Q503 L504 | N497-H500 WeakPolarHBondContact O-CB 3.25Å; N497-H500 PolarHBondContact O-N 2.92Å; N497-H500 VanDerWaalsContact O-N 3.09Å; L498-H500 VanDerWaalsContact C-N 3.31Å; L498-H500 PolarHBondContact O-N 3.49Å; H500-R502 VanDerWaalsContact C-N 3.32Å; H500-R502 PolarHBondContact O-N 2.77Å; H500-Q503 WeakPolarHBondContact O-CB 3.16Å; H500-Q503 PolarHBondContact O-N 3.46Å; H500-Q503 VanDerWaalsContact O-N 3.1Å; H500-L504 WeakPolarHBondContact O-CG 3.32Å; H500-L504 PolarHBondContact O-N 3.03Å; H500-L504 VanDerWaalsContact O-N 3.11Å |
| 501 | L | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 179.3 | -68.2 | -177.6 | 0 | 0 | 0 | 112.6 | T491 V493 N497 L498 Q503 L504 V505 L547 V561 | T491-L501 HydrophobicContact CG2-CD1 4.03Å; T491-L501 HydrophobicContact CG2-CD2 3.97Å; V493-L501 HydrophobicContact CB-CD1 4.38Å; V493-L501 HydrophobicContact CG2-CD1 3.81Å; N497-L501 HydrophobicContact CB-CD1 4.36Å; N497-L501 HydrophobicContact CB-CG 4.28Å; N497-L501 WeakPolarHBondContact O-CG 3.39Å; N497-L501 PolarHBondContact O-N 3.14Å; N497-L501 WeakPolarHBondContact OD1-CD1 3.4Å; L498-L501 PolarHBondContact O-N 2.82Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.05Å; L501-L504 HydrophobicContact CD2-CD1 4.13Å; L501-L504 PolarHBondContact O-N 3.02Å; L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 3.36Å; L501-L547 HydrophobicContact CB-CD1 4.43Å; L501-V561 HydrophobicContact CB-CG2 4.42Å; L501-V561 HydrophobicContact CD1-CB 4.35Å; L501-V561 HydrophobicContact CD1-CG2 4.3Å; L501-V561 HydrophobicContact CD2-CB 4.32Å; L501-V561 HydrophobicContact CD2-CG1 4.43Å |
| 502 | R | 94.3 | Very high | 91.9 | Very high | 75 Ų | 75 | 58 Ų | 58 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 171.9 | -80 | -178.4 | 172.7 | 167.1 | 3.5 | 111.4 | L498 H500 L504 V505 M506 A544 L547 | L498-R502 HydrophobicContact CD1-CG 4.39Å; L498-R502 WeakPolarHBondContact O-CB 3.17Å; L498-R502 VanDerWaalsContact O-CG 3.29Å; L498-R502 WeakPolarHBondContact O-CG 3.43Å; L498-R502 PolarHBondContact O-N 3.02Å; H500-R502 VanDerWaalsContact C-N 3.32Å; H500-R502 PolarHBondContact O-N 2.77Å; R502-L504 PolarHBondContact O-N 3.09Å; R502-V505 PolarHBondContact O-N 3.03Å; R502-M506 VanDerWaalsContact O-CG 3.3Å; R502-M506 WeakPolarHBondContact O-CG 3.39Å; R502-M506 PolarHBondContact O-N 3.24Å; R502-A544 HydrophobicContact CB-CB 4.32Å; R502-A544 HydrophobicContact CG-CB 4.27Å; R502-A544 WeakPolarHBondContact CG-O 3Å; R502-A544 PolarHBondContact NE-O 3.43Å; R502-A544 VanDerWaalsContact NE-O 3.13Å; R502-L547 HydrophobicContact CG-CD1 4.08Å; R502-L547 PolarHBondContact NH2-O 3.07Å |
| 503 | Q | 93.7 | Very high | 92 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.7 | -171.4 | 61.7 | 40.7 | 0 | 0 | 112 | V499 H500 L501 V505 M506 N507 | V499-Q503 PolarHBondContact O-N 2.96Å; H500-Q503 WeakPolarHBondContact O-CB 3.16Å; H500-Q503 PolarHBondContact O-N 3.46Å; H500-Q503 VanDerWaalsContact O-N 3.1Å; L501-Q503 VanDerWaalsContact C-N 3.3Å; L501-Q503 PolarHBondContact O-N 3.05Å; Q503-V505 PolarHBondContact O-N 2.83Å; Q503-M506 HydrophobicContact CB-CE 4.39Å; Q503-M506 PolarHBondContact O-N 3.48Å; Q503-N507 PolarHBondContact NE2-OD1 3.39Å; Q503-N507 VanDerWaalsContact NE2-OD1 3.07Å; Q503-N507 VanDerWaalsContact O-CG 3.25Å; Q503-N507 PolarHBondContact O-N 3.04Å; Q503-N507 PolarHBondContact O-OD1 3.38Å |
| 504 | L | 94.8 | Very high | 92 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 178.1 | -60.8 | -177.3 | 0 | 0 | 0 | 112.3 | H500 L501 R502 N507 G508 P513 G514 A515 R563 | H500-L504 WeakPolarHBondContact O-CG 3.32Å; H500-L504 PolarHBondContact O-N 3.03Å; H500-L504 VanDerWaalsContact O-N 3.11Å; L501-L504 HydrophobicContact CD2-CD1 4.13Å; L501-L504 PolarHBondContact O-N 3.02Å; R502-L504 PolarHBondContact O-N 3.09Å; L504-N507 PolarHBondContact O-N 3.26Å; L504-G508 PolarHBondContact O-N 2.89Å; L504-G508 VanDerWaalsContact O-N 3.11Å; L504-P513 HydrophobicContact CD2-CB 3.81Å; L504-P513 HydrophobicContact CD2-CG 4.1Å; L504-P513 WeakPolarHBondContact CD2-O 3.46Å; L504-G514 CarbonylContact O-C 3.49Å; L504-G514 WeakPolarHBondContact O-CA 3.2Å; L504-A515 HydrophobicContact CB-CB 4.35Å; L504-A515 PolarHBondContact O-N 3.15Å; L504-R563 HydrophobicContact CD1-CB 3.7Å |
| 505 | V | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | L501 R502 Q503 G508 A515 I518 L528 L543 A544 L547 V561 | L501-V505 WeakPolarHBondContact O-CG2 3.44Å; L501-V505 PolarHBondContact O-N 3.36Å; R502-V505 PolarHBondContact O-N 3.03Å; Q503-V505 PolarHBondContact O-N 2.83Å; V505-G508 PolarHBondContact O-N 3.29Å; V505-A515 HydrophobicContact CG2-CB 4.32Å; V505-I518 HydrophobicContact CG1-CD1 3.82Å; V505-I518 HydrophobicContact CG2-CD1 4Å; V505-I518 HydrophobicContact CG2-CG1 4.19Å; V505-L528 HydrophobicContact CB-CD1 4.47Å; V505-L528 HydrophobicContact CG1-CD1 4.16Å; V505-L528 HydrophobicContact CG1-CD2 3.95Å; V505-L528 HydrophobicContact CG2-CD1 4.4Å; V505-L543 HydrophobicContact CG1-CB 4.41Å; V505-A544 HydrophobicContact CB-CB 4.12Å; V505-A544 HydrophobicContact CG1-CB 3.84Å; V505-L547 HydrophobicContact CG2-CD1 4.06Å; V505-V561 HydrophobicContact CG2-CG1 3.69Å; V505-V561 HydrophobicContact CG2-CG2 4.21Å |
| 506 | M | 92.6 | Very high | 92.4 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -42.3 | 175.3 | -71.2 | -175.1 | -60.5 | 0 | 0 | 111.5 | R502 Q503 G508 R540 E541 A544 | R502-M506 VanDerWaalsContact O-CG 3.3Å; R502-M506 WeakPolarHBondContact O-CG 3.39Å; R502-M506 PolarHBondContact O-N 3.24Å; Q503-M506 HydrophobicContact CB-CE 4.39Å; Q503-M506 PolarHBondContact O-N 3.48Å; M506-G508 VanDerWaalsContact C-N 3.26Å; M506-G508 PolarHBondContact O-N 3.05Å; M506-R540 PolarHBondContact O-NH1 3.07Å; M506-E541 HydrophobicContact CG-CG 4.21Å; M506-E541 HydrophobicContact SD-CG 4.3Å; M506-A544 HydrophobicContact CG-CB 3.86Å |
| 507 | N | 92 | Very high | 92.5 | Very high | 29 Ų | 29 | 40 Ų | 40 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -34.5 | 176.1 | -70.3 | -6.6 | 0 | 0 | 0 | 112.1 | Q503 L504 N511 P513 R540 | Q503-N507 PolarHBondContact NE2-OD1 3.39Å; Q503-N507 VanDerWaalsContact NE2-OD1 3.07Å; Q503-N507 VanDerWaalsContact O-CG 3.25Å; Q503-N507 PolarHBondContact O-N 3.04Å; Q503-N507 PolarHBondContact O-OD1 3.38Å; L504-N507 PolarHBondContact O-N 3.26Å; N507-N511 HydrophobicContact CB-CB 4.31Å; N507-N511 WeakPolarHBondContact O-CB 3.33Å; N507-P513 WeakPolarHBondContact CB-O 3.4Å; N507-P513 PolarHBondContact ND2-O 2.7Å; N507-R540 PolarHBondContact O-NH1 3.48Å |
| 508 | G | 90.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | -167.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L504 V505 M506 G514 A515 | L504-G508 PolarHBondContact O-N 2.89Å; L504-G508 VanDerWaalsContact O-N 3.11Å; V505-G508 PolarHBondContact O-N 3.29Å; M506-G508 VanDerWaalsContact C-N 3.26Å; M506-G508 PolarHBondContact O-N 3.05Å; G508-G514 WeakPolarHBondContact O-CA 3.5Å; G508-A515 CarbonylContact C-O 3.54Å; G508-A515 PolarHBondContact O-N 2.7Å |
| 509 | P | 91.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -22.3 | -171.9 | 28.9 | -35.6 | 0 | 0 | 0 | 114.4 | F485 A515 T516 Q530 H564 | F485-P509 WeakPolarHBondContact CD1-O 3.24Å; P509-A515 WeakPolarHBondContact CA-O 3.17Å; P509-A515 VanDerWaalsContact N-O 3.15Å; P509-T516 HydrophobicContact CB-CG2 4.43Å; P509-Q530 HydrophobicContact CG-CB 4.29Å; P509-Q530 HydrophobicContact CG-CG 4Å; P509-H564 PolarHBondContact O-CE1 2.91Å |
| 510 | N | 88.7 | Confident | 92.5 | Very high | 91 Ų | 91 | 36 Ų | 36 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -15.4 | -173.8 | -71 | -3.3 | 0 | 0 | 0 | 114.2 | F485 Q530 | F485-N510 VanDerWaalsContact CE1-C 3.47Å; F485-N510 WeakPolarHBondContact CE1-O 3.43Å; F485-N510 WeakPolarHBondContact CZ-O 3.36Å; N510-Q530 PolarHBondContact ND2-O 3.31Å |
| 511 | N | 88.8 | Confident | 92.1 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 43% | 0.433 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -108.9 | 114.4 | 179.6 | -171.3 | 16.8 | 0 | 0 | 0 | 110.5 | N507 P513 G514 | N507-N511 HydrophobicContact CB-CB 4.31Å; N507-N511 WeakPolarHBondContact O-CB 3.33Å; N511-P513 CarbonylContact O-C 3.59Å; N511-P513 VanDerWaalsContact O-C 3.26Å; N511-G514 PolarHBondContact O-N 3.05Å |
| 512 | Y | 90 | Very high | 91.5 | Very high | 35 Ų | 35 | 39 Ų | 39 | 14% | 0.137 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -88.1 | 133.3 | -178.1 | 179.8 | -92.1 | 0 | 0 | 0 | 111 | L481 A484 F485 H564 L565 L566 I591 | L481-Y512 HydrophobicContact CD2-CD1 3.78Å; L481-Y512 HydrophobicContact CD2-CE1 4.4Å; L481-Y512 HydrophobicContact CD2-CG 3.87Å; A484-Y512 HydrophobicContact CB-CD2 4.16Å; A484-Y512 HydrophobicContact CB-CE2 3.93Å; F485-Y512 VanDerWaalsContact CE1-CB 3.47Å; Y512-H564 HydrophobicContact CD2-CB 4.31Å; Y512-H564 HydrophobicContact CE2-CB 4.29Å; Y512-L565 WeakPolarHBondContact CE2-O 3.43Å; Y512-L565 PolarHBondContact OH-O 3.34Å; Y512-L566 HydrophobicContact CE2-CD2 4.43Å; Y512-I591 HydrophobicContact CE1-CB 4.44Å; Y512-I591 HydrophobicContact CE1-CG1 4.4Å; Y512-I591 HydrophobicContact CE1-CG2 4.11Å; Y512-I591 HydrophobicContact CE2-CG1 4.49Å; Y512-I591 VanDerWaalsContact OH-CG1 3.28Å; Y512-I591 WeakPolarHBondContact OH-CG1 3.5Å |
| 513 | P | 93.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 31% | 0.312 | 21% | 0.205 | S | C | . | . | S | Bend | cis | -80.5 | 141.5 | -2.5 | 32.3 | -34.7 | 0 | 0 | 0 | 112.2 | L504 N507 N511 L566 | L504-P513 HydrophobicContact CD2-CB 3.81Å; L504-P513 HydrophobicContact CD2-CG 4.1Å; L504-P513 WeakPolarHBondContact CD2-O 3.46Å; N507-P513 WeakPolarHBondContact CB-O 3.4Å; N507-P513 PolarHBondContact ND2-O 2.7Å; N511-P513 CarbonylContact O-C 3.59Å; N511-P513 VanDerWaalsContact O-C 3.26Å; P513-L566 HydrophobicContact CB-CD2 3.5Å |
| 514 | G | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -148.5 | -159.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | L504 G508 N511 H564 | L504-G514 CarbonylContact O-C 3.49Å; L504-G514 WeakPolarHBondContact O-CA 3.2Å; G508-G514 WeakPolarHBondContact O-CA 3.5Å; N511-G514 PolarHBondContact O-N 3.05Å; G514-H564 PolarHBondContact N-ND1 3Å; G514-H564 PolarHBondContact O-N 3.46Å | ||
| 515 | A | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 152.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L504 V505 G508 P509 L528 V561 N562 | L504-A515 HydrophobicContact CB-CB 4.35Å; L504-A515 PolarHBondContact O-N 3.15Å; V505-A515 HydrophobicContact CG2-CB 4.32Å; G508-A515 CarbonylContact C-O 3.54Å; G508-A515 PolarHBondContact O-N 2.7Å; P509-A515 WeakPolarHBondContact CA-O 3.17Å; P509-A515 VanDerWaalsContact N-O 3.15Å; A515-L528 HydrophobicContact CB-CD1 3.92Å; A515-L528 WeakPolarHBondContact O-CD1 3.35Å; A515-V561 HydrophobicContact CB-CG1 3.81Å; A515-N562 WeakPolarHBondContact CA-O 3.2Å; A515-N562 WeakPolarHBondContact CB-O 3.33Å |
| 516 | T | 93.6 | Very high | 90.3 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 20% | 0.202 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -42.4 | -178.6 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | T488 P509 L528 N562 | T488-T516 HydrophobicContact CG2-CG2 3.53Å; T488-T516 WeakPolarHBondContact CG2-OG1 3.4Å; P509-T516 HydrophobicContact CB-CG2 4.43Å; T516-L528 WeakPolarHBondContact O-CB 3.46Å; T516-L528 PolarHBondContact O-N 3.4Å; T516-N562 PolarHBondContact N-O 2.89Å; T516-N562 PolarHBondContact OG1-O 2.81Å |
| 517 | S | 93.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 162.1 | -175.2 | 68 | 0 | 0 | 0 | 0 | 113.2 | T526 M527 N562 | S517-T526 WeakPolarHBondContact CA-O 3.35Å; S517-T526 WeakPolarHBondContact CB-O 3.39Å; S517-M527 VanDerWaalsContact CB-CE 3.4Å; S517-N562 PolarHBondContact O-N 2.92Å; S517-N562 PolarHBondContact OG-ND2 3.44Å |
| 518 | I | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 129.5 | 175.4 | -57.4 | 169.2 | 0 | 0 | 0 | 108.1 | V505 F520 I525 T526 L528 L543 L547 I559 V560 | V505-I518 HydrophobicContact CG1-CD1 3.82Å; V505-I518 HydrophobicContact CG2-CD1 4Å; V505-I518 HydrophobicContact CG2-CG1 4.19Å; I518-F520 HydrophobicContact CG2-CE1 4.38Å; I518-F520 HydrophobicContact CG2-CZ 4.39Å; I518-I525 CarbonylContact O-C 3.45Å; I518-T526 PolarHBondContact N-O 3.26Å; I518-T526 PolarHBondContact O-N 2.98Å; I518-L528 HydrophobicContact CD1-CD2 3.89Å; I518-L528 HydrophobicContact CG1-CD2 4.26Å; I518-L543 HydrophobicContact CD1-CB 3.94Å; I518-L547 HydrophobicContact CD1-CD2 4.26Å; I518-L547 HydrophobicContact CG2-CD2 4.03Å; I518-I559 HydrophobicContact CG2-CG2 3.6Å; I518-V560 CarbonylContact C-O 3.4Å; I518-V560 WeakPolarHBondContact CA-O 3.46Å |
| 519 | Q | 92.9 | Very high | 90.1 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.4 | 169.5 | -177.1 | 178.7 | 18.2 | 0 | 0 | 109 | I525 I559 V560 | Q519-I525 HydrophobicContact CB-CG1 4.34Å; Q519-I525 HydrophobicContact CG-CG1 4.19Å; Q519-I559 WeakPolarHBondContact O-CA 3.48Å; Q519-I559 WeakPolarHBondContact O-CG2 3.34Å; Q519-V560 HydrophobicContact CB-CB 4.23Å; Q519-V560 PolarHBondContact N-O 2.89Å; Q519-V560 PolarHBondContact O-N 3.07Å |
| 520 | F | 89 | Confident | 89.6 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 11% | 0.114 | 28% | 0.282 | C | S | . | . | trans | -79.3 | 168.5 | 176.3 | -69.5 | -73.6 | 0 | 0 | 0 | 111.5 | I518 N522 G523 V524 T526 L543 I559 | I518-F520 HydrophobicContact CG2-CE1 4.38Å; I518-F520 HydrophobicContact CG2-CZ 4.39Å; F520-N522 VanDerWaalsContact CB-OD1 3.32Å; F520-N522 WeakPolarHBondContact CB-OD1 3.42Å; F520-N522 PolarHBondContact O-N 2.84Å; F520-N522 VanDerWaalsContact O-N 3.13Å; F520-G523 PolarHBondContact O-N 3.18Å; F520-V524 PolarHBondContact N-O 3.3Å; F520-T526 WeakPolarHBondContact CE2-OG1 3.33Å; F520-L543 HydrophobicContact CZ-CD2 4.11Å; F520-I559 HydrophobicContact CD1-CD1 4.32Å | ||
| 521 | S | 84.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 52 Ų | 52 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.7 | -178.6 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | G523 I557 | S521-G523 PolarHBondContact O-N 3.47Å; S521-I557 WeakPolarHBondContact CB-O 3.03Å |
| 522 | N | 82.3 | Confident | 88.7 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.6 | 174.1 | 67.4 | -11 | 0 | 0 | 0 | 113.9 | F520 V524 | F520-N522 VanDerWaalsContact CB-OD1 3.32Å; F520-N522 WeakPolarHBondContact CB-OD1 3.42Å; F520-N522 PolarHBondContact O-N 2.84Å; F520-N522 VanDerWaalsContact O-N 3.13Å; N522-V524 VanDerWaalsContact C-N 3.26Å; N522-V524 WeakPolarHBondContact ND2-CG2 3.38Å; N522-V524 PolarHBondContact O-N 2.91Å; N522-V524 WeakPolarHBondContact OD1-CB 3.38Å; N522-V524 PolarHBondContact OD1-N 2.81Å; N522-V524 VanDerWaalsContact OD1-N 3.13Å |
| 523 | G | 81.8 | Confident | 88.6 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 83 | -10.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | F520 S521 I525 | F520-G523 PolarHBondContact O-N 3.18Å; S521-G523 PolarHBondContact O-N 3.47Å; G523-I525 PolarHBondContact O-N 3.24Å |
| 524 | V | 86.8 | Confident | 88.2 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 122.5 | -178.6 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | F520 N522 | F520-V524 PolarHBondContact N-O 3.3Å; N522-V524 VanDerWaalsContact C-N 3.26Å; N522-V524 WeakPolarHBondContact ND2-CG2 3.38Å; N522-V524 PolarHBondContact O-N 2.91Å; N522-V524 WeakPolarHBondContact OD1-CB 3.38Å; N522-V524 PolarHBondContact OD1-N 2.81Å; N522-V524 VanDerWaalsContact OD1-N 3.13Å |
| 525 | I | 90.6 | Very high | 87.8 | Confident | 91 Ų | 91 | 64.1 Ų | 64.1 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117 | 177.2 | -47.3 | 179.1 | 0 | 0 | 0 | 109.2 | I518 Q519 G523 M527 | I518-I525 CarbonylContact O-C 3.45Å; Q519-I525 HydrophobicContact CB-CG1 4.34Å; Q519-I525 HydrophobicContact CG-CG1 4.19Å; G523-I525 PolarHBondContact O-N 3.24Å; I525-M527 HydrophobicContact CB-CE 4.35Å; I525-M527 HydrophobicContact CG2-CE 3.39Å |
| 526 | T | 91.9 | Very high | 87.5 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.9 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | S517 I518 F520 | S517-T526 WeakPolarHBondContact CA-O 3.35Å; S517-T526 WeakPolarHBondContact CB-O 3.39Å; I518-T526 PolarHBondContact N-O 3.26Å; I518-T526 PolarHBondContact O-N 2.98Å; F520-T526 WeakPolarHBondContact CE2-OG1 3.33Å |
| 527 | M | 91.7 | Very high | 87.1 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 60% | 0.596 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 137.8 | 174.1 | -63.9 | -61.1 | 124.7 | 0 | 0 | 111.1 | S517 I525 | S517-M527 VanDerWaalsContact CB-CE 3.4Å; I525-M527 HydrophobicContact CB-CE 4.35Å; I525-M527 HydrophobicContact CG2-CE 3.39Å |
| 528 | L | 91.6 | Very high | 86.8 | Confident | 6 Ų | 6 | 73.9 Ų | 73.9 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 139.1 | 174.7 | -65.5 | 174.2 | 0 | 0 | 0 | 110.1 | V505 A515 T516 I518 Q530 R540 L543 | V505-L528 HydrophobicContact CB-CD1 4.47Å; V505-L528 HydrophobicContact CG1-CD1 4.16Å; V505-L528 HydrophobicContact CG1-CD2 3.95Å; V505-L528 HydrophobicContact CG2-CD1 4.4Å; A515-L528 HydrophobicContact CB-CD1 3.92Å; A515-L528 WeakPolarHBondContact O-CD1 3.35Å; T516-L528 WeakPolarHBondContact O-CB 3.46Å; T516-L528 PolarHBondContact O-N 3.4Å; I518-L528 HydrophobicContact CD1-CD2 3.89Å; I518-L528 HydrophobicContact CG1-CD2 4.26Å; L528-Q530 PolarHBondContact O-N 3.1Å; L528-R540 HydrophobicContact CD2-CG 4.42Å; L528-L543 HydrophobicContact CD2-CD1 3.65Å |
| 529 | P | 88.8 | Confident | 86.6 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 123.5 | 176.8 | -25.5 | 33.8 | 0 | 0 | 0 | 111.7 | A536 K539 | P529-A536 HydrophobicContact CB-CB 3.67Å; P529-A536 HydrophobicContact CG-CB 4.49Å; P529-K539 HydrophobicContact CG-CB 4.3Å; P529-K539 HydrophobicContact CG-CD 3.8Å; P529-K539 HydrophobicContact CG-CG 4.15Å |
| 530 | Q | 80.4 | Confident | 86.5 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | trans | -69.6 | -35.6 | -177.4 | -68.4 | 178.5 | -5.8 | 0 | 0 | 112.6 | P509 N510 L528 | P509-Q530 HydrophobicContact CG-CB 4.29Å; P509-Q530 HydrophobicContact CG-CG 4Å; N510-Q530 PolarHBondContact ND2-O 3.31Å; L528-Q530 PolarHBondContact O-N 3.1Å | ||
| 531 | N | 79.9 | Confident | 86.6 | Confident | 108 Ų | 108 | 79.9 Ų | 79.9 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -74.7 | 147.1 | -174 | -60.1 | -12.4 | 0 | 0 | 0 | 112.3 | T533 A536 R540 | N531-T533 HydrophobicContact CB-CG2 4.13Å; N531-T533 PolarHBondContact O-N 3.43Å; N531-A536 WeakPolarHBondContact O-CB 3.42Å; N531-R540 PolarHBondContact O-NH2 3.33Å |
| 532 | D | 79.2 | Confident | 86.9 | Confident | 84 Ų | 84 | 82.7 Ų | 82.7 | 45% | 0.449 | 43% | 0.43 | S | S | . | . | trans | -87.4 | 27.1 | 173.7 | -88.3 | -28.6 | 0 | 0 | 0 | 113.6 | R540 | D532-R540 IonicContact OD1-CZ 3.11Å; D532-R540 IonicContact OD1-NH1 3.83Å; D532-R540 PolarHBondContact OD1-NH1 3.35Å; D532-R540 IonicContact OD1-NH2 3.74Å; D532-R540 PolarHBondContact OD1-NH2 3.04Å | ||
| 533 | T | 86.2 | Confident | 87.3 | Confident | 62 Ų | 62 | 78 Ų | 78 | 38% | 0.38 | 41% | 0.405 | S | S | . | . | trans | -65.1 | 148.9 | 173 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | N531 Q535 A536 K537 | N531-T533 HydrophobicContact CB-CG2 4.13Å; N531-T533 PolarHBondContact O-N 3.43Å; T533-Q535 PolarHBondContact O-N 3.21Å; T533-Q535 VanDerWaalsContact O-N 3.14Å; T533-A536 WeakPolarHBondContact O-CB 3.1Å; T533-A536 PolarHBondContact O-N 3.48Å; T533-A536 VanDerWaalsContact OG1-CB 3.29Å; T533-A536 WeakPolarHBondContact OG1-CB 3.05Å; T533-A536 PolarHBondContact OG1-N 3.02Å; T533-K537 PolarHBondContact O-N 3.19Å | ||
| 534 | P | 84.8 | Confident | 87.8 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 71% | 0.708 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.2 | -32 | 178.4 | 21.3 | -32.8 | 0 | 0 | 0 | 112.4 | K538 | P534-K538 WeakPolarHBondContact O-CB 3.41Å; P534-K538 PolarHBondContact O-N 2.89Å |
| 535 | Q | 86.6 | Confident | 87.9 | Confident | 163 Ų | 163 | 78.5 Ų | 78.5 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 173.4 | -65.8 | 177.8 | -6.9 | 0 | 0 | 112.3 | T533 K538 K539 | T533-Q535 PolarHBondContact O-N 3.21Å; T533-Q535 VanDerWaalsContact O-N 3.14Å; Q535-K538 PolarHBondContact O-N 3.24Å; Q535-K539 WeakPolarHBondContact O-CB 3.41Å; Q535-K539 PolarHBondContact O-N 3.39Å |
| 536 | A | 86.1 | Confident | 87.8 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P529 N531 T533 K539 R540 | P529-A536 HydrophobicContact CB-CB 3.67Å; P529-A536 HydrophobicContact CG-CB 4.49Å; N531-A536 WeakPolarHBondContact O-CB 3.42Å; T533-A536 WeakPolarHBondContact O-CB 3.1Å; T533-A536 PolarHBondContact O-N 3.48Å; T533-A536 VanDerWaalsContact OG1-CB 3.29Å; T533-A536 WeakPolarHBondContact OG1-CB 3.05Å; T533-A536 PolarHBondContact OG1-N 3.02Å; A536-K539 PolarHBondContact O-N 2.76Å; A536-R540 WeakPolarHBondContact O-CG 3.27Å; A536-R540 PolarHBondContact O-N 2.85Å; A536-R540 PolarHBondContact O-NE 3.12Å |
| 537 | K | 86 | Confident | 87.7 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 173.6 | -69.5 | -174.6 | -179.3 | -176.6 | 0 | 111.6 | T533 K539 R540 E541 | T533-K537 PolarHBondContact O-N 3.19Å; K537-K539 VanDerWaalsContact C-N 3.26Å; K537-K539 PolarHBondContact O-N 2.73Å; K537-R540 WeakPolarHBondContact O-CB 3.39Å; K537-R540 PolarHBondContact O-N 3.18Å; K537-R540 VanDerWaalsContact O-N 3.07Å; K537-E541 WeakPolarHBondContact O-CG 3.19Å; K537-E541 PolarHBondContact O-N 3.19Å |
| 538 | K | 88.4 | Confident | 87.4 | Confident | 139 Ų | 139 | 80.7 Ų | 80.7 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.2 | -38.9 | 175.2 | -169 | 175.5 | -176 | 178 | 0 | 111.9 | P534 Q535 E541 M542 | P534-K538 WeakPolarHBondContact O-CB 3.41Å; P534-K538 PolarHBondContact O-N 2.89Å; Q535-K538 PolarHBondContact O-N 3.24Å; K538-E541 PolarHBondContact O-N 2.9Å; K538-M542 VanDerWaalsContact O-CG 3.29Å; K538-M542 WeakPolarHBondContact O-CG 3.26Å; K538-M542 PolarHBondContact O-N 3.35Å |
| 539 | K | 88.9 | Confident | 86.9 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.2 | -172 | 172 | 176.5 | -177.1 | 0 | 112.4 | P529 Q535 A536 K537 M542 L543 | P529-K539 HydrophobicContact CG-CB 4.3Å; P529-K539 HydrophobicContact CG-CD 3.8Å; P529-K539 HydrophobicContact CG-CG 4.15Å; Q535-K539 WeakPolarHBondContact O-CB 3.41Å; Q535-K539 PolarHBondContact O-N 3.39Å; A536-K539 PolarHBondContact O-N 2.76Å; K537-K539 VanDerWaalsContact C-N 3.26Å; K537-K539 PolarHBondContact O-N 2.73Å; K539-M542 HydrophobicContact CB-CE 4.25Å; K539-M542 PolarHBondContact O-N 3.39Å; K539-L543 WeakPolarHBondContact O-CG 3.2Å; K539-L543 PolarHBondContact O-N 3.22Å |
| 540 | R | 91.7 | Very high | 86.3 | Confident | 4 Ų | 4 | 85.3 Ų | 85.3 | 2% | 0.015 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174 | -76.2 | -178.9 | -94.7 | 158.2 | -18.4 | 112.1 | M506 N507 L528 N531 D532 A536 K537 M542 L543 A544 | M506-R540 PolarHBondContact O-NH1 3.07Å; N507-R540 PolarHBondContact O-NH1 3.48Å; L528-R540 HydrophobicContact CD2-CG 4.42Å; N531-R540 PolarHBondContact O-NH2 3.33Å; D532-R540 IonicContact OD1-CZ 3.11Å; D532-R540 IonicContact OD1-NH1 3.83Å; D532-R540 PolarHBondContact OD1-NH1 3.35Å; D532-R540 IonicContact OD1-NH2 3.74Å; D532-R540 PolarHBondContact OD1-NH2 3.04Å; A536-R540 WeakPolarHBondContact O-CG 3.27Å; A536-R540 PolarHBondContact O-N 2.85Å; A536-R540 PolarHBondContact O-NE 3.12Å; K537-R540 WeakPolarHBondContact O-CB 3.39Å; K537-R540 PolarHBondContact O-N 3.18Å; K537-R540 VanDerWaalsContact O-N 3.07Å; R540-M542 PolarHBondContact O-N 2.99Å; R540-L543 PolarHBondContact O-N 3.44Å; R540-A544 WeakPolarHBondContact O-CB 3.13Å; R540-A544 PolarHBondContact O-N 3Å |
| 541 | E | 90.4 | Very high | 85.6 | Confident | 99 Ų | 99 | 85.6 Ų | 85.6 | 46% | 0.463 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 174.5 | -71.5 | 169 | -175.2 | 0 | 0 | 111.6 | M506 K537 K538 L543 A544 L545 | M506-E541 HydrophobicContact CG-CG 4.21Å; M506-E541 HydrophobicContact SD-CG 4.3Å; K537-E541 WeakPolarHBondContact O-CG 3.19Å; K537-E541 PolarHBondContact O-N 3.19Å; K538-E541 PolarHBondContact O-N 2.9Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 2.8Å; E541-A544 PolarHBondContact O-N 2.79Å; E541-L545 WeakPolarHBondContact O-CG 3.27Å; E541-L545 PolarHBondContact O-N 3.5Å |
| 542 | M | 91.2 | Very high | 84.6 | Confident | 105 Ų | 105 | 86.7 Ų | 86.7 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 175 | -72.7 | -173.2 | -64.3 | 0 | 0 | 112.2 | K538 K539 R540 R546 | K538-M542 VanDerWaalsContact O-CG 3.29Å; K538-M542 WeakPolarHBondContact O-CG 3.26Å; K538-M542 PolarHBondContact O-N 3.35Å; K539-M542 HydrophobicContact CB-CE 4.25Å; K539-M542 PolarHBondContact O-N 3.39Å; R540-M542 PolarHBondContact O-N 2.99Å; M542-R546 WeakPolarHBondContact O-CG 3.37Å; M542-R546 PolarHBondContact O-N 3.42Å |
| 543 | L | 91.3 | Very high | 83.3 | Confident | 15 Ų | 15 | 85.2 Ų | 85.2 | 8% | 0.079 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 176.6 | -70.1 | 172.5 | 0 | 0 | 0 | 112.3 | V505 I518 F520 L528 K539 R540 E541 L545 R546 L547 | V505-L543 HydrophobicContact CG1-CB 4.41Å; I518-L543 HydrophobicContact CD1-CB 3.94Å; F520-L543 HydrophobicContact CZ-CD2 4.11Å; L528-L543 HydrophobicContact CD2-CD1 3.65Å; K539-L543 WeakPolarHBondContact O-CG 3.2Å; K539-L543 PolarHBondContact O-N 3.22Å; R540-L543 PolarHBondContact O-N 3.44Å; E541-L543 VanDerWaalsContact C-N 3.32Å; E541-L543 PolarHBondContact O-N 2.8Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L543-L545 PolarHBondContact O-N 2.98Å; L543-R546 WeakPolarHBondContact O-CB 3.23Å; L543-R546 PolarHBondContact O-N 2.69Å; L543-R546 VanDerWaalsContact O-N 3.1Å; L543-L547 PolarHBondContact O-N 2.99Å |
| 544 | A | 91 | Very high | 81.8 | Confident | 2 Ų | 2 | 92.3 Ų | 92.3 | 2% | 0.017 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R502 V505 M506 R540 E541 R546 L547 | R502-A544 HydrophobicContact CB-CB 4.32Å; R502-A544 HydrophobicContact CG-CB 4.27Å; R502-A544 WeakPolarHBondContact CG-O 3Å; R502-A544 PolarHBondContact NE-O 3.43Å; R502-A544 VanDerWaalsContact NE-O 3.13Å; V505-A544 HydrophobicContact CB-CB 4.12Å; V505-A544 HydrophobicContact CG1-CB 3.84Å; M506-A544 HydrophobicContact CG-CB 3.86Å; R540-A544 WeakPolarHBondContact O-CB 3.13Å; R540-A544 PolarHBondContact O-N 3Å; E541-A544 PolarHBondContact O-N 2.79Å; A544-R546 PolarHBondContact O-N 2.71Å; A544-L547 WeakPolarHBondContact O-CB 3.44Å; A544-L547 WeakPolarHBondContact O-CG 3.26Å; A544-L547 PolarHBondContact O-N 3.41Å |
| 545 | L | 89.9 | Confident | 80.5 | Confident | 121 Ų | 121 | 92 Ų | 92 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.5 | -26.5 | 175.7 | -71 | 170.5 | 0 | 0 | 0 | 112.9 | E541 L543 L547 | E541-L545 WeakPolarHBondContact O-CG 3.27Å; E541-L545 PolarHBondContact O-N 3.5Å; L543-L545 VanDerWaalsContact C-N 3.31Å; L543-L545 PolarHBondContact O-N 2.98Å; L545-L547 VanDerWaalsContact C-N 3.31Å |
| 546 | R | 88.4 | Confident | 79.6 | Confident | 153 Ų | 153 | 91 Ų | 91 | 58% | 0.577 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -75.3 | -16.4 | 175.5 | -70.4 | -178.6 | 70.9 | 179.7 | 1.8 | 113.8 | M542 L543 A544 K548 | M542-R546 WeakPolarHBondContact O-CG 3.37Å; M542-R546 PolarHBondContact O-N 3.42Å; L543-R546 WeakPolarHBondContact O-CB 3.23Å; L543-R546 PolarHBondContact O-N 2.69Å; L543-R546 VanDerWaalsContact O-N 3.1Å; A544-R546 PolarHBondContact O-N 2.71Å; R546-K548 PolarHBondContact O-N 3.16Å |
| 547 | L | 88.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 48% | 0.478 | C | S | . | . | trans | -63.6 | 121.7 | 174.6 | -57.2 | -178.8 | 0 | 0 | 0 | 109.5 | V493 L498 L501 R502 V505 I518 L543 A544 L545 I559 V561 | V493-L547 HydrophobicContact CG1-CB 4.41Å; V493-L547 HydrophobicContact CG2-CB 4.44Å; V493-L547 HydrophobicContact CG2-CD1 4.48Å; V493-L547 HydrophobicContact CG2-CD2 4.18Å; L498-L547 HydrophobicContact CD1-CB 3.92Å; L501-L547 HydrophobicContact CB-CD1 4.43Å; R502-L547 HydrophobicContact CG-CD1 4.08Å; R502-L547 PolarHBondContact NH2-O 3.07Å; V505-L547 HydrophobicContact CG2-CD1 4.06Å; I518-L547 HydrophobicContact CD1-CD2 4.26Å; I518-L547 HydrophobicContact CG2-CD2 4.03Å; L543-L547 PolarHBondContact O-N 2.99Å; A544-L547 WeakPolarHBondContact O-CB 3.44Å; A544-L547 WeakPolarHBondContact O-CG 3.26Å; A544-L547 PolarHBondContact O-N 3.41Å; L545-L547 VanDerWaalsContact C-N 3.31Å; L547-I559 HydrophobicContact CD2-CG2 3.7Å; L547-V561 HydrophobicContact CD1-CG2 3.89Å; L547-V561 HydrophobicContact CD2-CG2 3.87Å | ||
| 548 | K | 85.3 | Confident | 79.1 | Confident | 146 Ų | 146 | 92 Ų | 92 | 64% | 0.635 | 47% | 0.47 | S | S | * | . | trans | -130.7 | 139.2 | 176.3 | -67.2 | -179.1 | -178.7 | -179.3 | 0 | 108.9 | R546 | R546-K548 PolarHBondContact O-N 3.16Š| ||
| 549 | P | 82.7 | Confident | 79.2 | Confident | 40 Ų | 40 | 86.4 Ų | 86.4 | 26% | 0.26 | 45% | 0.446 | S | S | . | . | trans | -68.2 | 153.5 | 172.9 | 30.9 | -34 | 0 | 0 | 0 | 110 | I551 | P549-I551 PolarHBondContact O-N 3.35Š| ||
| 550 | L | 75.5 | Confident | 79.4 | Confident | 91 Ų | 91 | 82 Ų | 82 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | trans | -62.6 | 118.2 | 175 | -163.5 | 66.7 | 0 | 0 | 0 | 109.8 | D555 | L550-D555 WeakPolarHBondContact CD1-O 3.25Š| ||
| 551 | I | 66.3 | Low | 79.5 | Confident | 141 Ų | 141 | 81.8 Ų | 81.8 | 72% | 0.723 | 43% | 0.428 | S | S | * | . | trans | -104.3 | 123.7 | 170.7 | -58 | 172.2 | 0 | 0 | 0 | 105.4 | P549 G553 | P549-I551 PolarHBondContact O-N 3.35Å; I551-G553 PolarHBondContact O-N 3.48Å | ||
| 552 | S | 58.1 | Low | 79.7 | Confident | 131 Ų | 131 | 78.2 Ų | 78.2 | 92% | 0.916 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -45.1 | 101.6 | -176.7 | -158.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 553 | G | 53 | Low | 79.9 | Confident | 54 Ų | 54 | 74 Ų | 74 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 165.1 | 113.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I551 D555 | I551-G553 PolarHBondContact O-N 3.48Å; G553-D555 PolarHBondContact O-N 2.95Å |
| 554 | K | 54.7 | Low | 80.1 | Confident | 210 Ų | 210 | 73.3 Ų | 73.3 | 91% | 0.913 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 51.5 | -37.2 | 172.8 | -73.1 | -172.8 | 177 | -177.5 | 0 | 119.7 | ||
| 555 | D | 56.4 | Low | 80.3 | Confident | 102 Ų | 102 | 73.2 Ų | 73.2 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | trans | -96.5 | 103.8 | 177.1 | -65.3 | -24.3 | 0 | 0 | 0 | 108.8 | L550 G553 I557 | L550-D555 WeakPolarHBondContact CD1-O 3.25Å; G553-D555 PolarHBondContact O-N 2.95Å; D555-I557 PolarHBondContact O-N 3.34Å | ||
| 556 | N | 67.2 | Low | 80.5 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | trans | -78.8 | -5.1 | -179.1 | -77.4 | -7.9 | 0 | 0 | 0 | 113.8 | ||||
| 557 | I | 75.7 | Confident | 80.7 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 45% | 0.451 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -109.8 | 115.7 | -171.6 | -54.8 | 174.4 | 0 | 0 | 0 | 109.7 | S521 D555 | S521-I557 WeakPolarHBondContact CB-O 3.03Å; D555-I557 PolarHBondContact O-N 3.34Å |
| 558 | P | 86.5 | Confident | 80.7 | Confident | 36 Ų | 36 | 66.5 Ų | 66.5 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | trans | -68.3 | 152.4 | 176 | 29.4 | -34.3 | 0 | 0 | 0 | 111.1 | P492 V560 | P492-P558 HydrophobicContact CB-CB 4.23Å; P492-P558 HydrophobicContact CB-CG 3.9Å; P558-V560 PolarHBondContact O-N 3.39Å | ||
| 559 | I | 90.3 | Very high | 81.1 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | trans | -64.5 | 132.7 | 167.1 | -59.3 | 174.2 | 0 | 0 | 0 | 107.8 | V493 I518 Q519 F520 L547 | V493-I559 WeakPolarHBondContact CB-O 2.99Å; V493-I559 HydrophobicContact CG2-CB 4.29Å; V493-I559 HydrophobicContact CG2-CG2 4.35Å; V493-I559 VanDerWaalsContact CG2-O 3.27Å; V493-I559 WeakPolarHBondContact CG2-O 3.26Å; V493-I559 PolarHBondContact N-O 3.43Å; I518-I559 HydrophobicContact CG2-CG2 3.6Å; Q519-I559 WeakPolarHBondContact O-CA 3.48Å; Q519-I559 WeakPolarHBondContact O-CG2 3.34Å; F520-I559 HydrophobicContact CD1-CD1 4.32Å; L547-I559 HydrophobicContact CD2-CG2 3.7Å | ||
| 560 | V | 93.2 | Very high | 81.6 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 12% | 0.121 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.6 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | P490 P492 I518 Q519 P558 | P490-V560 HydrophobicContact CB-CG1 3.55Å; P492-V560 HydrophobicContact CB-CG2 4.5Å; I518-V560 CarbonylContact C-O 3.4Å; I518-V560 WeakPolarHBondContact CA-O 3.46Å; Q519-V560 HydrophobicContact CB-CB 4.23Å; Q519-V560 PolarHBondContact N-O 2.89Å; Q519-V560 PolarHBondContact O-N 3.07Å; P558-V560 PolarHBondContact O-N 3.39Å |
| 561 | V | 94.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.9 | 174.8 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | T491 V493 L501 V505 A515 L547 R563 | T491-V561 PolarHBondContact N-O 3.41Å; T491-V561 PolarHBondContact O-N 2.69Å; V493-V561 HydrophobicContact CG2-CG2 3.83Å; L501-V561 HydrophobicContact CB-CG2 4.42Å; L501-V561 HydrophobicContact CD1-CB 4.35Å; L501-V561 HydrophobicContact CD1-CG2 4.3Å; L501-V561 HydrophobicContact CD2-CB 4.32Å; L501-V561 HydrophobicContact CD2-CG1 4.43Å; V505-V561 HydrophobicContact CG2-CG1 3.69Å; V505-V561 HydrophobicContact CG2-CG2 4.21Å; A515-V561 HydrophobicContact CB-CG1 3.81Å; L547-V561 HydrophobicContact CD1-CG2 3.89Å; L547-V561 HydrophobicContact CD2-CG2 3.87Å; V561-R563 PolarHBondContact O-N 2.58Å; V561-R563 VanDerWaalsContact O-N 3.08Å |
| 562 | N | 94.6 | Very high | 83.9 | Confident | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 86 | 174.1 | -66.8 | -17.5 | 0 | 0 | 0 | 108.6 | P490 A515 T516 S517 | P490-N562 WeakPolarHBondContact CA-OD1 3.44Å; A515-N562 WeakPolarHBondContact CA-O 3.2Å; A515-N562 WeakPolarHBondContact CB-O 3.33Å; T516-N562 PolarHBondContact N-O 2.89Å; T516-N562 PolarHBondContact OG1-O 2.81Å; S517-N562 PolarHBondContact O-N 2.92Å; S517-N562 PolarHBondContact OG-ND2 3.44Å |
| 563 | R | 94.9 | Very high | 85.7 | Confident | 18 Ų | 18 | 41.8 Ų | 41.8 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 155.9 | 178 | 62.8 | 171.3 | -176.3 | 84.2 | -6.8 | 111.1 | T488 F489 T491 L504 V561 L566 D569 | T488-R563 CarbonylContact C-O 3.56Å; T488-R563 WeakPolarHBondContact CA-O 3.32Å; T488-R563 VanDerWaalsContact CB-O 3.31Å; T488-R563 WeakPolarHBondContact CB-O 3.43Å; F489-R563 HydrophobicContact CB-CG 4.23Å; F489-R563 PolarHBondContact N-O 2.65Å; F489-R563 WeakPolarHBondContact O-CG 3.39Å; F489-R563 PolarHBondContact O-N 2.9Å; T491-R563 VanDerWaalsContact OG1-CD 3.26Å; T491-R563 WeakPolarHBondContact OG1-CD 3.45Å; T491-R563 WeakPolarHBondContact OG1-CG 3.43Å; T491-R563 PolarHBondContact OG1-NE 3.47Å; L504-R563 HydrophobicContact CD1-CB 3.7Å; V561-R563 PolarHBondContact O-N 2.58Å; V561-R563 VanDerWaalsContact O-N 3.08Å; R563-L566 VanDerWaalsContact NH1-CG 3.32Å; R563-D569 IonicContact CZ-OD1 3.37Å; R563-D569 IonicContact CZ-OD2 3.98Å; R563-D569 IonicContact NH1-OD1 3.95Å; R563-D569 IonicContact NH1-OD2 2.75Å; R563-D569 PolarHBondContact NH1-OD2 2.9Å; R563-D569 IonicContact NH2-OD1 2.79Å; R563-D569 PolarHBondContact NH2-OD1 2.57Å; R563-D569 IonicContact NH2-OD2 3.98Å; R563-D569 PolarHBondContact NH2-OD2 3.48Å |
| 564 | H | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 163.4 | 169.9 | -64.3 | 168.3 | 0 | 0 | 0 | 112.3 | A484 F485 L487 P509 Y512 G514 L566 | A484-H564 WeakPolarHBondContact O-CB 3.35Å; F485-H564 AromaticContact CD1-CE1 3.72Å; F485-H564 AromaticContact CD1-ND1 3.84Å; F485-H564 PolarHBondContact O-CD2 3.38Å; L487-H564 CarbonylContact O-C 3.57Å; P509-H564 PolarHBondContact O-CE1 2.91Å; Y512-H564 HydrophobicContact CD2-CB 4.31Å; Y512-H564 HydrophobicContact CE2-CB 4.29Å; G514-H564 PolarHBondContact N-ND1 3Å; G514-H564 PolarHBondContact O-N 3.46Å; H564-L566 PolarHBondContact O-N 2.74Å |
| 565 | L | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 124.9 | 170.6 | -179.9 | 67.2 | 0 | 0 | 0 | 110 | V479 A484 L487 Y512 D569 V589 I591 F623 | V479-L565 HydrophobicContact CG1-CD2 4.09Å; A484-L565 PolarHBondContact O-N 3.4Å; L487-L565 HydrophobicContact CB-CB 4.2Å; L487-L565 HydrophobicContact CD1-CD2 4.16Å; L487-L565 PolarHBondContact O-N 3.2Å; Y512-L565 WeakPolarHBondContact CE2-O 3.43Å; Y512-L565 PolarHBondContact OH-O 3.34Å; L565-D569 HydrophobicContact CD1-CB 3.76Å; L565-V589 HydrophobicContact CD1-CG2 4.19Å; L565-V589 HydrophobicContact CD2-CG1 3.88Å; L565-V589 HydrophobicContact CD2-CG2 4.23Å; L565-V589 HydrophobicContact CG-CG1 4.04Å; L565-V589 HydrophobicContact CG-CG2 4.48Å; L565-I591 HydrophobicContact CD2-CD1 4.32Å; L565-F623 HydrophobicContact CD1-CD1 4.18Å; L565-F623 HydrophobicContact CD1-CD2 3.7Å; L565-F623 HydrophobicContact CD1-CE1 3.81Å; L565-F623 HydrophobicContact CD1-CE2 3.36Å; L565-F623 HydrophobicContact CD1-CG 4.12Å; L565-F623 HydrophobicContact CD1-CZ 3.39Å |
| 566 | L | 93.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | trans | -107.3 | 161.8 | -176.4 | -63.1 | 177.7 | 0 | 0 | 0 | 112 | Y512 P513 R563 H564 G568 D569 | Y512-L566 HydrophobicContact CE2-CD2 4.43Å; P513-L566 HydrophobicContact CB-CD2 3.5Å; R563-L566 VanDerWaalsContact NH1-CG 3.32Å; H564-L566 PolarHBondContact O-N 2.74Å; L566-G568 PolarHBondContact O-N 2.96Å; L566-D569 PolarHBondContact N-OD2 2.86Å; L566-D569 WeakPolarHBondContact O-CB 3.27Å; L566-D569 PolarHBondContact O-N 2.73Å | ||
| 567 | D | 92.1 | Very high | 91.2 | Very high | 66 Ų | 66 | 27.6 Ų | 27.6 | 35% | 0.353 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 131.6 | 169 | -71.8 | -37.1 | 0 | 0 | 0 | 109.9 | V589 I591 | D567-V589 WeakPolarHBondContact CA-O 3.42Å; D567-I591 WeakPolarHBondContact OD1-CB 3.35Å; D567-I591 WeakPolarHBondContact OD1-CG1 3.49Å; D567-I591 PolarHBondContact OD1-N 3.47Å |
| 568 | G | 88.8 | Confident | 91.7 | Very high | 37 Ų | 37 | 26.5 Ų | 26.5 | 38% | 0.381 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -1.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L566 V589 | L566-G568 PolarHBondContact O-N 2.96Å; G568-V589 PolarHBondContact N-O 3.09Å |
| 569 | D | 93.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.032 | 15% | 0.152 | C | C | . | . | trans | -66.5 | 159.3 | 165.2 | -82 | -35.5 | 0 | 0 | 0 | 111.3 | R563 L565 L566 R588 V589 F623 K630 | R563-D569 IonicContact CZ-OD1 3.37Å; R563-D569 IonicContact CZ-OD2 3.98Å; R563-D569 IonicContact NH1-OD1 3.95Å; R563-D569 IonicContact NH1-OD2 2.75Å; R563-D569 PolarHBondContact NH1-OD2 2.9Å; R563-D569 IonicContact NH2-OD1 2.79Å; R563-D569 PolarHBondContact NH2-OD1 2.57Å; R563-D569 IonicContact NH2-OD2 3.98Å; R563-D569 PolarHBondContact NH2-OD2 3.48Å; L565-D569 HydrophobicContact CD1-CB 3.76Å; L566-D569 PolarHBondContact N-OD2 2.86Å; L566-D569 WeakPolarHBondContact O-CB 3.27Å; L566-D569 PolarHBondContact O-N 2.73Å; D569-R588 CarbonylContact O-C 3.25Å; D569-R588 WeakPolarHBondContact O-CA 3.35Å; D569-V589 WeakPolarHBondContact O-CB 3.37Å; D569-V589 WeakPolarHBondContact O-CG2 3.39Å; D569-V589 PolarHBondContact O-N 3.38Å; D569-F623 HydrophobicContact CB-CE2 3.97Å; D569-F623 HydrophobicContact CB-CZ 4.36Å; D569-K630 IonicContact OD1-NZ 3.25Å; D569-K630 PolarHBondContact OD1-NZ 2.77Å | ||
| 570 | M | 93.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.6 | 179.8 | -60.7 | -59.9 | -67.6 | 0 | 0 | 109.9 | A586 H587 R588 K630 L633 | M570-A586 HydrophobicContact CE-CB 3.63Å; M570-H587 WeakPolarHBondContact CA-O 3.33Å; M570-R588 HydrophobicContact SD-CG 3.72Å; M570-K630 HydrophobicContact CG-CG 4.39Å; M570-L633 HydrophobicContact CB-CB 4.44Å; M570-L633 HydrophobicContact CB-CD1 4.2Å |
| 571 | L | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125 | 174.3 | -172.9 | 75.1 | 0 | 0 | 0 | 108.6 | V477 V479 M573 A586 H587 V589 F623 | V477-L571 HydrophobicContact CG1-CB 4.43Å; V477-L571 HydrophobicContact CG1-CD2 4.08Å; V479-L571 HydrophobicContact CG2-CD2 3.94Å; L571-M573 HydrophobicContact CD2-SD 3.72Å; L571-M573 HydrophobicContact CG-SD 4.27Å; L571-M573 PolarHBondContact O-N 3.16Å; L571-A586 WeakPolarHBondContact O-CA 3.44Å; L571-H587 PolarHBondContact N-O 3.24Å; L571-H587 PolarHBondContact O-N 2.89Å; L571-V589 HydrophobicContact CB-CG2 3.46Å; L571-V589 VanDerWaalsContact CB-CG2 3.46Å; L571-V589 HydrophobicContact CD2-CG2 4.33Å; L571-V589 HydrophobicContact CG-CG2 4.45Å; L571-F623 HydrophobicContact CD1-CB 3.98Å |
| 572 | I | 95.9 | Very high | 91.2 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.108 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.3 | 174.9 | -50.3 | 173.1 | 0 | 0 | 0 | 107.8 | M584 G621 H622 V624 L633 | I572-M584 HydrophobicContact CD1-CE 4.24Å; I572-M584 HydrophobicContact CG2-CE 3.7Å; I572-M584 HydrophobicContact CG2-CG 3.5Å; I572-M584 HydrophobicContact CG2-SD 4.47Å; I572-G621 CarbonylContact O-C 3.52Å; I572-G621 VanDerWaalsContact O-CA 3.29Å; I572-G621 WeakPolarHBondContact O-CA 3.04Å; I572-H622 HydrophobicContact CB-CB 4.24Å; I572-H622 PolarHBondContact N-O 2.96Å; I572-H622 PolarHBondContact O-N 3.3Å; I572-V624 HydrophobicContact CD1-CG1 4.18Å; I572-L633 HydrophobicContact CD1-CD1 3.79Å; I572-L633 HydrophobicContact CD1-CD2 3.58Å; I572-L633 HydrophobicContact CD1-CG 4.27Å; I572-L633 HydrophobicContact CG1-CD1 3.41Å; I572-L633 VanDerWaalsContact CG1-CD1 3.41Å; I572-L633 HydrophobicContact CG1-CD2 3.68Å; I572-L633 HydrophobicContact CG1-CG 4.18Å |
| 573 | M | 95 | Very high | 91 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.4 | 176.3 | -69.1 | -62 | -63.9 | 0 | 0 | 109 | V477 L571 M584 Q585 L600 Y610 M619 N620 | V477-M573 HydrophobicContact CB-CG 4.42Å; V477-M573 HydrophobicContact CG1-CG 4.41Å; V477-M573 HydrophobicContact CG2-CE 4.18Å; V477-M573 HydrophobicContact CG2-CG 4.18Å; V477-M573 HydrophobicContact CG2-SD 4.06Å; L571-M573 HydrophobicContact CD2-SD 3.72Å; L571-M573 HydrophobicContact CG-SD 4.27Å; L571-M573 PolarHBondContact O-N 3.16Å; M573-M584 WeakPolarHBondContact O-CA 3.37Å; M573-Q585 PolarHBondContact N-O 3.04Å; M573-Q585 PolarHBondContact O-N 3.27Å; M573-L600 HydrophobicContact CE-CD1 3.77Å; M573-L600 HydrophobicContact SD-CD1 4.38Å; M573-Y610 VanDerWaalsContact CB-OH 3.26Å; M573-Y610 WeakPolarHBondContact CB-OH 3.29Å; M573-Y610 VanDerWaalsContact O-CE1 3.3Å; M573-Y610 WeakPolarHBondContact O-CE1 3.27Å; M573-Y610 PolarHBondContact O-OH 3.03Å; M573-M619 HydrophobicContact CB-CE 3.95Å; M573-M619 HydrophobicContact CE-CB 3.68Å; M573-M619 HydrophobicContact CE-CE 4.09Å; M573-M619 HydrophobicContact CE-SD 4.23Å; M573-N620 WeakPolarHBondContact CA-O 3.46Å |
| 574 | N | 93.7 | Very high | 90.9 | Very high | 14 Ų | 14 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.5 | 172.1 | 73.6 | -24.6 | 0 | 0 | 0 | 111.8 | S583 M584 M619 N620 H622 | N574-S583 WeakPolarHBondContact CA-O 3.37Å; N574-M584 HydrophobicContact CB-CB 4.31Å; N574-M584 HydrophobicContact CB-CG 4.22Å; N574-M619 WeakPolarHBondContact O-CA 3.25Å; N574-M619 WeakPolarHBondContact O-CB 3.31Å; N574-N620 PolarHBondContact N-O 3.08Å; N574-N620 PolarHBondContact O-N 3.28Å; N574-N620 WeakPolarHBondContact OD1-CA 3.27Å; N574-N620 WeakPolarHBondContact OD1-CB 3.47Å; N574-N620 PolarHBondContact OD1-N 2.99Å; N574-N620 PolarHBondContact OD1-ND2 3.2Å; N574-N620 PolarHBondContact OD1-O 3.5Å; N574-N620 VanDerWaalsContact OD1-O 3.1Å; N574-H622 PolarHBondContact OD1-NE2 2.79Å |
| 575 | R | 90 | Very high | 90.8 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.8 | 167.7 | -177.9 | 162.6 | 171.5 | -78.3 | 1.4 | 108.5 | P577 S583 Y610 N611 D617 M619 | R575-P577 CarbonylContact O-C 3.52Å; R575-S583 PolarHBondContact N-O 3.2Å; R575-Y610 HydrophobicContact CB-CD1 3.93Å; R575-Y610 HydrophobicContact CB-CG 4.36Å; R575-Y610 VanDerWaalsContact CD-O 3.29Å; R575-Y610 WeakPolarHBondContact CD-O 3.27Å; R575-Y610 PolarHBondContact NH1-O 3Å; R575-N611 PolarHBondContact NH1-O 3.41Å; R575-N611 PolarHBondContact NH2-O 3.34Å; R575-D617 IonicContact CZ-OD1 2.67Å; R575-D617 VanDerWaalsContact CZ-OD1 3.26Å; R575-D617 IonicContact CZ-OD2 3.87Å; R575-D617 VanDerWaalsContact NE-CG 3.34Å; R575-D617 IonicContact NE-OD1 3.29Å; R575-D617 PolarHBondContact NE-OD1 2.93Å; R575-D617 IonicContact NE-OD2 2.93Å; R575-D617 PolarHBondContact NE-OD2 3.37Å; R575-D617 IonicContact NH2-OD1 2.7Å; R575-D617 PolarHBondContact NH2-OD1 2.96Å; R575-D617 IonicContact NH2-OD2 3.63Å; R575-M619 HydrophobicContact CB-CE 4.15Å; R575-M619 HydrophobicContact CB-CG 4.1Å; R575-M619 HydrophobicContact CG-CG 4.47Å |
| 576 | Q | 82.2 | Confident | 90.9 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 30% | 0.304 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -85.6 | 136.9 | 174.1 | -72.8 | 176.4 | -40.2 | 0 | 0 | 109 | R463 D1456 | R463-Q576 VanDerWaalsContact NH1-OE1 3.08Å; Q576-D1456 PolarHBondContact NE2-OD1 2.86Å |
| 577 | P | 82.5 | Confident | 90.9 | Very high | 92 Ų | 92 | 30.8 Ų | 30.8 | 60% | 0.597 | 17% | 0.167 | S | C | * | . | S | Bend | cis | -75.6 | 141.2 | -3.5 | 31.1 | -34.8 | 0 | 0 | 0 | 113.6 | R575 L579 | R575-P577 CarbonylContact O-C 3.52Å; P577-L579 HydrophobicContact CB-CD2 4.46Å; P577-L579 PolarHBondContact O-N 2.82Å |
| 578 | T | 85.8 | Confident | 91 | Very high | 64 Ų | 64 | 31.5 Ų | 31.5 | 39% | 0.393 | 17% | 0.165 | S | C | . | . | trans | -86.5 | 90.9 | 178.6 | -49.8 | 0 | 0 | 0 | 0 | 110.6 | M584 | T578-M584 HydrophobicContact CG2-CB 4.31Š| ||
| 579 | L | 85.1 | Confident | 91.3 | Very high | 39 Ų | 39 | 29.8 Ų | 29.8 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | trans | -84.3 | -30.1 | -173.9 | -63 | 174.8 | 0 | 0 | 0 | 114.5 | P577 Q1025 E1210 T1213 | P577-L579 HydrophobicContact CB-CD2 4.46Å; P577-L579 PolarHBondContact O-N 2.82Å; L579-Q1025 PolarHBondContact O-NE2 3.36Å; L579-E1210 HydrophobicContact CB-CB 4.21Å; L579-E1210 HydrophobicContact CB-CG 4.25Å; L579-T1213 HydrophobicContact CD1-CG2 4.13Å; L579-T1213 VanDerWaalsContact CD1-OG1 3.32Å; L579-T1213 WeakPolarHBondContact CD1-OG1 3.4Å; L579-T1213 HydrophobicContact CD2-CG2 3.86Å | ||
| 580 | H | 89.3 | Confident | 91.4 | Very high | 16 Ų | 16 | 35 Ų | 35 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -146.3 | 160.7 | -178.2 | 62 | 34.5 | 0 | 0 | 0 | 110.9 | P582 S583 A609 E1210 | H580-P582 WeakPolarHBondContact ND1-CD 3.39Å; H580-S583 PolarHBondContact CE1-OG 3.1Å; H580-S583 PolarHBondContact ND1-N 2.96Å; H580-S583 PolarHBondContact ND1-OG 3.22Å; H580-S583 WeakPolarHBondContact O-CB 3.21Å; H580-S583 PolarHBondContact O-N 2.6Å; H580-S583 PolarHBondContact O-OG 2.88Å; H580-A609 PolarHBondContact CE1-O 3.32Å; H580-E1210 HydrophobicContact CB-CB 4.33Å; H580-E1210 IonicContact CD2-OE1 2.85Å |
| 581 | R | 89.9 | Confident | 91.4 | Very high | 88 Ų | 88 | 35.1 Ų | 35.1 | 33% | 0.332 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -46.8 | -47.4 | -179.1 | 171.7 | -177.1 | 175 | 179.9 | 0.9 | 114.6 | S583 M584 L636 | R581-S583 PolarHBondContact O-N 3.47Å; R581-M584 CarbonylContact O-C 3.55Å; R581-M584 PolarHBondContact O-N 3.45Å; R581-M584 VanDerWaalsContact O-O 3.12Å; R581-L636 PolarHBondContact NH2-O 3.49Å; R581-L636 VanDerWaalsContact NH2-O 3.16Å |
| 582 | P | 90.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -62.3 | -12.6 | 179.4 | -26.2 | 34.5 | 0 | 0 | 0 | 116.3 | H580 M584 A609 L652 | H580-P582 WeakPolarHBondContact ND1-CD 3.39Å; P582-M584 PolarHBondContact O-N 3.4Å; P582-A609 HydrophobicContact CB-CB 4.28Å; P582-L652 HydrophobicContact CB-CD1 3.42Å; P582-L652 VanDerWaalsContact CB-CD1 3.42Å; P582-L652 HydrophobicContact CG-CD1 3.57Å |
| 583 | S | 89.9 | Confident | 91 | Very high | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -76.7 | -2.7 | 173 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | N574 R575 H580 R581 A609 Y610 | N574-S583 WeakPolarHBondContact CA-O 3.37Å; R575-S583 PolarHBondContact N-O 3.2Å; H580-S583 PolarHBondContact CE1-OG 3.1Å; H580-S583 PolarHBondContact ND1-N 2.96Å; H580-S583 PolarHBondContact ND1-OG 3.22Å; H580-S583 WeakPolarHBondContact O-CB 3.21Å; H580-S583 PolarHBondContact O-N 2.6Å; H580-S583 PolarHBondContact O-OG 2.88Å; R581-S583 PolarHBondContact O-N 3.47Å; S583-A609 PolarHBondContact OG-O 2.94Å; S583-A609 VanDerWaalsContact OG-O 3.14Å; S583-Y610 WeakPolarHBondContact O-CD1 3.44Å; S583-Y610 WeakPolarHBondContact O-CE1 3.39Å |
| 584 | M | 93.3 | Very high | 90.7 | Very high | 84 Ų | 84 | 45.8 Ų | 45.8 | 41% | 0.414 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 96.1 | 172.1 | -175.6 | 174.6 | -177.7 | 0 | 0 | 108.9 | I572 M573 N574 T578 R581 P582 | I572-M584 HydrophobicContact CD1-CE 4.24Å; I572-M584 HydrophobicContact CG2-CE 3.7Å; I572-M584 HydrophobicContact CG2-CG 3.5Å; I572-M584 HydrophobicContact CG2-SD 4.47Å; M573-M584 WeakPolarHBondContact O-CA 3.37Å; N574-M584 HydrophobicContact CB-CB 4.31Å; N574-M584 HydrophobicContact CB-CG 4.22Å; T578-M584 HydrophobicContact CG2-CB 4.31Å; R581-M584 CarbonylContact O-C 3.55Å; R581-M584 PolarHBondContact O-N 3.45Å; R581-M584 VanDerWaalsContact O-O 3.12Å; P582-M584 PolarHBondContact O-N 3.4Å |
| 585 | Q | 93.6 | Very high | 90 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 154.9 | -177 | 56.4 | 177.5 | -17 | 0 | 0 | 110.9 | M573 H587 Y610 A637 V639 Q642 | M573-Q585 PolarHBondContact N-O 3.04Å; M573-Q585 PolarHBondContact O-N 3.27Å; Q585-H587 PolarHBondContact O-CD2 3.17Å; Q585-Y610 HydrophobicContact CG-CE1 4.29Å; Q585-Y610 HydrophobicContact CG-CE2 4.23Å; Q585-Y610 WeakPolarHBondContact CG-OH 3.39Å; Q585-Y610 PolarHBondContact NE2-OH 3.5Å; Q585-A637 WeakPolarHBondContact CA-O 3.17Å; Q585-V639 HydrophobicContact CG-CG2 4.33Å; Q585-Q642 HydrophobicContact CB-CG 4.17Å |
| 586 | A | 95.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 124.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M570 L571 L633 A637 S638 V639 | M570-A586 HydrophobicContact CE-CB 3.63Å; L571-A586 WeakPolarHBondContact O-CA 3.44Å; A586-L633 HydrophobicContact CB-CB 3.84Å; A586-L633 HydrophobicContact CB-CD1 4.23Å; A586-L633 HydrophobicContact CB-CD2 4.17Å; A586-L633 HydrophobicContact CB-CG 4.29Å; A586-A637 PolarHBondContact N-O 3.34Å; A586-S638 WeakPolarHBondContact O-CA 3.2Å; A586-V639 PolarHBondContact O-N 2.91Å |
| 587 | H | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 149.9 | 176.2 | -65.2 | -103.7 | 0 | 0 | 0 | 110.2 | V477 M570 L571 Q585 N606 Y610 V639 | V477-H587 HydrophobicContact CB-CB 3.76Å; V477-H587 HydrophobicContact CG1-CB 3.62Å; M570-H587 WeakPolarHBondContact CA-O 3.33Å; L571-H587 PolarHBondContact N-O 3.24Å; L571-H587 PolarHBondContact O-N 2.89Å; Q585-H587 PolarHBondContact O-CD2 3.17Å; H587-N606 PolarHBondContact CE1-ND2 3.31Å; H587-Y610 AromaticContact NE2-CE2 3.79Å; H587-Y610 AromaticContact NE2-CZ 3.73Å; H587-Y610 PolarHBondContact NE2-OH 2.89Å; H587-V639 WeakPolarHBondContact CE1-CG2 3.44Å; H587-V639 WeakPolarHBondContact ND1-CG2 3.33Å |
| 588 | R | 94.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 30% | 0.302 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 132.6 | 167.5 | -66.7 | -172.4 | -172.8 | -84.1 | 2 | 109.1 | T475 E476 V477 D569 M570 E634 | T475-R588 PolarHBondContact O-N 3.43Å; E476-R588 CarbonylContact C-O 3.58Å; E476-R588 WeakPolarHBondContact CA-O 3.32Å; E476-R588 HydrophobicContact CG-CB 4.23Å; V477-R588 PolarHBondContact N-O 3.22Å; D569-R588 CarbonylContact O-C 3.25Å; D569-R588 WeakPolarHBondContact O-CA 3.35Å; M570-R588 HydrophobicContact SD-CG 3.72Å; R588-E634 IonicContact CZ-OE1 2.7Å; R588-E634 IonicContact NH1-OE1 3.38Å; R588-E634 PolarHBondContact NH1-OE1 3.14Å; R588-E634 IonicContact NH2-OE1 3.51Å; R588-E634 PolarHBondContact NH2-OE1 2.91Å |
| 589 | V | 95.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.5 | -178.1 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | V477 V479 L565 D567 G568 D569 L571 I591 | V477-V589 HydrophobicContact CG1-CG2 4.35Å; V479-V589 HydrophobicContact CB-CG1 4.11Å; V479-V589 HydrophobicContact CG2-CG1 3.81Å; V479-V589 HydrophobicContact CG2-CG2 4.26Å; L565-V589 HydrophobicContact CD1-CG2 4.19Å; L565-V589 HydrophobicContact CD2-CG1 3.88Å; L565-V589 HydrophobicContact CD2-CG2 4.23Å; L565-V589 HydrophobicContact CG-CG1 4.04Å; L565-V589 HydrophobicContact CG-CG2 4.48Å; D567-V589 WeakPolarHBondContact CA-O 3.42Å; G568-V589 PolarHBondContact N-O 3.09Å; D569-V589 WeakPolarHBondContact O-CB 3.37Å; D569-V589 WeakPolarHBondContact O-CG2 3.39Å; D569-V589 PolarHBondContact O-N 3.38Å; L571-V589 HydrophobicContact CB-CG2 3.46Å; L571-V589 VanDerWaalsContact CB-CG2 3.46Å; L571-V589 HydrophobicContact CD2-CG2 4.33Å; L571-V589 HydrophobicContact CG-CG2 4.45Å; V589-I591 HydrophobicContact CG1-CD1 3.4Å; V589-I591 HydrophobicContact CG1-CG1 4.23Å |
| 590 | R | 94.1 | Very high | 91.2 | Very high | 114 Ų | 114 | 51.3 Ų | 51.3 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 113 | 168.2 | -178.1 | 64.6 | 177.8 | -165.2 | 1.1 | 109.5 | L472 E476 V477 G478 V479 I592 | L472-R590 HydrophobicContact CD2-CB 4.11Å; L472-R590 HydrophobicContact CD2-CG 3.86Å; E476-R590 HydrophobicContact CB-CB 4.39Å; V477-R590 PolarHBondContact O-N 2.81Å; G478-R590 CarbonylContact C-O 3.58Å; G478-R590 VanDerWaalsContact CA-O 3.28Å; G478-R590 WeakPolarHBondContact CA-O 3.24Å; V479-R590 PolarHBondContact N-O 3.36Å; R590-I592 PolarHBondContact O-N 2.92Å |
| 591 | I | 95 | Very high | 91.4 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 123.7 | -179.2 | -58.9 | -47.3 | 0 | 0 | 0 | 110.8 | V479 L481 A484 Y512 L565 D567 V589 K593 | V479-I591 HydrophobicContact CB-CD1 3.86Å; V479-I591 HydrophobicContact CG1-CD1 4.19Å; V479-I591 WeakPolarHBondContact O-CA 3.25Å; L481-I591 HydrophobicContact CD2-CG2 3.57Å; L481-I591 HydrophobicContact CG-CG2 4.07Å; A484-I591 HydrophobicContact CB-CD1 3.72Å; A484-I591 HydrophobicContact CB-CG1 4.26Å; A484-I591 HydrophobicContact CB-CG2 4.31Å; Y512-I591 HydrophobicContact CE1-CB 4.44Å; Y512-I591 HydrophobicContact CE1-CG1 4.4Å; Y512-I591 HydrophobicContact CE1-CG2 4.11Å; Y512-I591 HydrophobicContact CE2-CG1 4.49Å; Y512-I591 VanDerWaalsContact OH-CG1 3.28Å; Y512-I591 WeakPolarHBondContact OH-CG1 3.5Å; L565-I591 HydrophobicContact CD2-CD1 4.32Å; D567-I591 WeakPolarHBondContact OD1-CB 3.35Å; D567-I591 WeakPolarHBondContact OD1-CG1 3.49Å; D567-I591 PolarHBondContact OD1-N 3.47Å; V589-I591 HydrophobicContact CG1-CD1 3.4Å; V589-I591 HydrophobicContact CG1-CG1 4.23Å; I591-K593 PolarHBondContact O-N 3.38Å |
| 592 | I | 93.7 | Very high | 91.6 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 102.5 | 174.9 | -57.3 | 163.2 | 0 | 0 | 0 | 108 | V479 R590 C594 A597 R601 | V479-I592 PolarHBondContact O-N 2.99Å; R590-I592 PolarHBondContact O-N 2.92Å; I592-C594 HydrophobicContact CG2-CB 4.06Å; I592-C594 PolarHBondContact O-N 3.09Å; I592-C594 VanDerWaalsContact O-N 3.17Å; I592-A597 HydrophobicContact CB-CB 4.13Å; I592-A597 HydrophobicContact CG2-CB 3.54Å; I592-R601 HydrophobicContact CD1-CB 4.06Å; I592-R601 VanDerWaalsContact CD1-CD 3.43Å; I592-R601 HydrophobicContact CD1-CG 3.56Å |
| 593 | K | 88.1 | Confident | 91.8 | Very high | 147 Ų | 147 | 50.3 Ų | 50.3 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | trans | -71.8 | -4.8 | -176.6 | -61 | -177.8 | -177.5 | 179.9 | 0 | 114.6 | L481 I591 V595 | L481-K593 WeakPolarHBondContact CD1-O 3.4Å; I591-K593 PolarHBondContact O-N 3.38Å; K593-V595 PolarHBondContact O-N 3.25Å | ||
| 594 | C | 87.3 | Confident | 91.9 | Very high | 79 Ų | 79 | 53 Ų | 53 | 53% | 0.534 | 27% | 0.269 | S | S | . | . | trans | -70.5 | 122.5 | 177 | -174 | 0 | 0 | 0 | 0 | 109.8 | I592 G596 A597 | I592-C594 HydrophobicContact CG2-CB 4.06Å; I592-C594 PolarHBondContact O-N 3.09Å; I592-C594 VanDerWaalsContact O-N 3.17Å; C594-G596 PolarHBondContact O-N 3.07Å; C594-G596 VanDerWaalsContact O-N 3.15Å; C594-A597 HydrophobicContact CB-CB 4.46Å; C594-A597 WeakPolarHBondContact O-CB 3.35Å; C594-A597 PolarHBondContact O-N 2.97Å | ||
| 595 | V | 78.9 | Confident | 91.8 | Very high | 142 Ų | 142 | 49 Ų | 49 | 86% | 0.861 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.7 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | K593 | K593-V595 PolarHBondContact O-N 3.25Š|
| 596 | G | 84.6 | Confident | 91.7 | Very high | 61 Ų | 61 | 49 Ų | 49 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -5.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C594 K598 | C594-G596 PolarHBondContact O-N 3.07Å; C594-G596 VanDerWaalsContact O-N 3.15Å; G596-K598 PolarHBondContact O-N 3.39Å |
| 597 | A | 87.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 10% | 0.099 | 25% | 0.251 | C | S | . | . | trans | -74.1 | 121.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P480 I592 C594 | P480-A597 WeakPolarHBondContact CB-O 3.17Å; I592-A597 HydrophobicContact CB-CB 4.13Å; I592-A597 HydrophobicContact CG2-CB 3.54Å; C594-A597 HydrophobicContact CB-CB 4.46Å; C594-A597 WeakPolarHBondContact O-CB 3.35Å; C594-A597 PolarHBondContact O-N 2.97Å | ||
| 598 | K | 90.6 | Very high | 91.2 | Very high | 174 Ų | 174 | 54.2 Ų | 54.2 | 76% | 0.757 | 27% | 0.273 | S | S | * | . | trans | -117.3 | -22.1 | 178.6 | -65.2 | -176.9 | 179 | -178.7 | 0 | 113.5 | G596 | G596-K598 PolarHBondContact O-N 3.39Š| ||
| 599 | T | 93.9 | Very high | 91 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -97.7 | 152.7 | -175.4 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | S464 V465 S467 P480 | S464-T599 WeakPolarHBondContact OG-CA 3.46Å; V465-T599 HydrophobicContact CB-CG2 4.35Å; V465-T599 WeakPolarHBondContact O-CB 3.31Å; S467-T599 WeakPolarHBondContact OG-CB 3.08Å; S467-T599 PolarHBondContact OG-OG1 3.41Å; P480-T599 WeakPolarHBondContact CD-O 3.19Å; P480-T599 WeakPolarHBondContact CG-O 3.43Å |
| 600 | L | 94.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140.5 | 166.9 | -68.9 | 171.4 | 0 | 0 | 0 | 108.7 | S464 V465 I466 S467 G478 V479 F483 M573 | S464-L600 PolarHBondContact OG-N 3.32Å; V465-L600 PolarHBondContact O-N 2.98Å; I466-L600 CarbonylContact C-O 3.58Å; I466-L600 VanDerWaalsContact CA-O 3.27Å; I466-L600 WeakPolarHBondContact CA-O 3.5Å; I466-L600 HydrophobicContact CG2-CB 4.24Å; S467-L600 PolarHBondContact N-O 2.74Å; G478-L600 CarbonylContact O-C 3.56Å; G478-L600 WeakPolarHBondContact O-CA 3.45Å; V479-L600 HydrophobicContact CB-CD2 4.41Å; V479-L600 HydrophobicContact CG1-CD2 4.4Å; V479-L600 HydrophobicContact CG2-CD2 4.07Å; F483-L600 HydrophobicContact CD2-CD2 4.15Å; F483-L600 HydrophobicContact CE2-CD2 4.29Å; F483-L600 HydrophobicContact CE2-CG 4.33Å; M573-L600 HydrophobicContact CE-CD1 3.77Å; M573-L600 HydrophobicContact SD-CD1 4.38Å |
| 601 | R | 94.4 | Very high | 90.4 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.8 | 179 | -61.9 | -169.7 | -174.2 | -169.9 | -4.8 | 111.9 | S467 D469 L472 V477 G478 I592 | S467-R601 CarbonylContact O-C 3.54Å; S467-R601 VanDerWaalsContact O-CA 3.23Å; S467-R601 WeakPolarHBondContact O-CA 3.43Å; D469-R601 HydrophobicContact CB-CB 3.95Å; D469-R601 HydrophobicContact CB-CG 4.49Å; D469-R601 VanDerWaalsContact OD2-CD 3.25Å; D469-R601 WeakPolarHBondContact OD2-CD 3.44Å; D469-R601 IonicContact OD2-CZ 2.77Å; D469-R601 IonicContact OD2-NH1 2.77Å; D469-R601 PolarHBondContact OD2-NH1 3.34Å; L472-R601 HydrophobicContact CD1-CB 3.76Å; L472-R601 WeakPolarHBondContact CD1-O 3.44Å; V477-R601 WeakPolarHBondContact CG2-O 3.38Å; G478-R601 PolarHBondContact N-O 2.97Å; G478-R601 PolarHBondContact O-N 3.41Å; I592-R601 HydrophobicContact CD1-CB 4.06Å; I592-R601 VanDerWaalsContact CD1-CD 3.43Å; I592-R601 HydrophobicContact CD1-CG 3.56Å |
| 602 | L | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147.1 | -176.3 | -170.6 | 67.3 | 0 | 0 | 0 | 111.4 | I466 S467 P468 D469 N606 Y610 F614 M619 | I466-L602 HydrophobicContact CD1-CD2 4.49Å; S467-L602 PolarHBondContact O-N 3.37Å; P468-L602 WeakPolarHBondContact CA-O 3.26Å; D469-L602 PolarHBondContact N-O 3.37Å; L602-N606 HydrophobicContact CD1-CB 4.45Å; L602-N606 HydrophobicContact CD2-CB 4.46Å; L602-Y610 HydrophobicContact CD2-CD2 4.02Å; L602-Y610 HydrophobicContact CD2-CE2 4.19Å; L602-F614 HydrophobicContact CB-CE1 4.29Å; L602-M619 HydrophobicContact CD2-SD 4.15Å |
| 603 | H | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -78.5 | 143.1 | 174.5 | -170.3 | -91.5 | 0 | 0 | 0 | 112.2 | L472 S605 N606 S813 | L472-H603 PolarHBondContact O-CD2 3.37Å; L472-H603 VanDerWaalsContact O-CD2 3.24Å; H603-S605 WeakPolarHBondContact ND1-CB 3.27Å; H603-S605 PolarHBondContact ND1-N 3Å; H603-S605 PolarHBondContact ND1-OG 3.14Å; H603-S605 PolarHBondContact O-N 3.01Å; H603-S605 VanDerWaalsContact O-N 3.1Å; H603-N606 PolarHBondContact O-N 2.82Å; H603-S813 PolarHBondContact NE2-OG 3.02Å | ||
| 604 | Y | 91.7 | Very high | 89.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 25% | 0.247 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -57.5 | -28.8 | -175.4 | -61.1 | -72.7 | 0 | 0 | 0 | 115.2 | P468 P470 N606 C607 F614 H659 | P468-Y604 HydrophobicContact CB-CD1 4.09Å; P468-Y604 HydrophobicContact CB-CE1 3.28Å; P468-Y604 HydrophobicContact CG-CE1 4.19Å; P470-Y604 HydrophobicContact CB-CD2 4.19Å; P470-Y604 HydrophobicContact CB-CE2 3.71Å; P470-Y604 HydrophobicContact CG-CE2 3.91Å; Y604-N606 PolarHBondContact O-N 3.25Å; Y604-C607 WeakPolarHBondContact O-CB 3.37Å; Y604-C607 PolarHBondContact O-N 2.99Å; Y604-C607 PolarHBondContact O-SG 3.14Å; Y604-F614 AromaticContact CD1-CE2 3.94Å; Y604-F614 HydrophobicContact CD1-CE2 3.94Å; Y604-F614 HydrophobicContact CE1-CE2 4.27Å; Y604-H659 AromaticContact CD2-CE1 3.72Å |
| 605 | S | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -63.6 | -27.3 | -176.2 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | V474 H603 A653 G654 | V474-S605 WeakPolarHBondContact CG1-OG 3.38Å; H603-S605 WeakPolarHBondContact ND1-CB 3.27Å; H603-S605 PolarHBondContact ND1-N 3Å; H603-S605 PolarHBondContact ND1-OG 3.14Å; H603-S605 PolarHBondContact O-N 3.01Å; H603-S605 VanDerWaalsContact O-N 3.1Å; S605-A653 WeakPolarHBondContact O-CA 3.41Å; S605-G654 WeakPolarHBondContact CA-O 3.3Å |
| 606 | N | 91.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -90.4 | -9.7 | -173.8 | -58.9 | -24.4 | 0 | 0 | 0 | 112.3 | V474 H587 L602 H603 Y604 K608 A609 Y610 | V474-N606 WeakPolarHBondContact CG1-OD1 3.44Å; V474-N606 PolarHBondContact O-ND2 3.41Å; H587-N606 PolarHBondContact CE1-ND2 3.31Å; L602-N606 HydrophobicContact CD1-CB 4.45Å; L602-N606 HydrophobicContact CD2-CB 4.46Å; H603-N606 PolarHBondContact O-N 2.82Å; Y604-N606 PolarHBondContact O-N 3.25Å; N606-K608 VanDerWaalsContact C-N 3.27Å; N606-K608 PolarHBondContact O-N 3.26Å; N606-A609 WeakPolarHBondContact O-CB 3.41Å; N606-A609 PolarHBondContact O-N 3.42Å; N606-Y610 HydrophobicContact CB-CD2 4.37Å; N606-Y610 HydrophobicContact CB-CE2 4.24Å; N606-Y610 WeakPolarHBondContact O-CD2 3.37Å; N606-Y610 PolarHBondContact O-N 2.86Å |
| 607 | C | 91 | Very high | 90.7 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -39.4 | -174.7 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | Y604 A609 Y610 N611 A612 F614 | Y604-C607 WeakPolarHBondContact O-CB 3.37Å; Y604-C607 PolarHBondContact O-N 2.99Å; Y604-C607 PolarHBondContact O-SG 3.14Å; C607-A609 VanDerWaalsContact C-N 3.31Å; C607-A609 PolarHBondContact O-N 3.5Å; C607-Y610 CarbonylContact O-C 3.51Å; C607-Y610 PolarHBondContact O-N 2.91Å; C607-N611 WeakPolarHBondContact O-CA 3.13Å; C607-N611 PolarHBondContact O-N 3.4Å; C607-A612 WeakPolarHBondContact CB-O 3.34Å; C607-A612 PolarHBondContact O-N 3.4Å; C607-F614 WeakPolarHBondContact SG-CE2 3.38Å; C607-F614 WeakPolarHBondContact SG-CZ 3Å |
| 608 | K | 88.5 | Confident | 91 | Very high | 104 Ų | 104 | 46.4 Ų | 46.4 | 45% | 0.452 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63 | -34.3 | 177.4 | -166.8 | -175.8 | 178.4 | -165.1 | 0 | 113 | N606 Y610 N611 L652 S787 | N606-K608 VanDerWaalsContact C-N 3.27Å; N606-K608 PolarHBondContact O-N 3.26Å; K608-Y610 VanDerWaalsContact C-N 3.32Å; K608-N611 PolarHBondContact O-N 2.91Å; K608-L652 HydrophobicContact CD-CD2 4.46Å; K608-L652 WeakPolarHBondContact CD-O 3.29Å; K608-L652 HydrophobicContact CG-CD2 4.48Å; K608-S787 PolarHBondContact NZ-OG 2.76Å |
| 609 | A | 90 | Very high | 91.2 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.2 | -29.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H580 P582 S583 N606 C607 L652 | H580-A609 PolarHBondContact CE1-O 3.32Å; P582-A609 HydrophobicContact CB-CB 4.28Å; S583-A609 PolarHBondContact OG-O 2.94Å; S583-A609 VanDerWaalsContact OG-O 3.14Å; N606-A609 WeakPolarHBondContact O-CB 3.41Å; N606-A609 PolarHBondContact O-N 3.42Å; C607-A609 VanDerWaalsContact C-N 3.31Å; C607-A609 PolarHBondContact O-N 3.5Å; A609-L652 HydrophobicContact CB-CB 4.47Å; A609-L652 HydrophobicContact CB-CD1 4.16Å |
| 610 | Y | 90.8 | Very high | 91.2 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -93.1 | -10.6 | 175.7 | -66.3 | -66.5 | 0 | 0 | 0 | 113.4 | M573 R575 S583 Q585 H587 L602 N606 C607 K608 A612 M619 | M573-Y610 VanDerWaalsContact CB-OH 3.26Å; M573-Y610 WeakPolarHBondContact CB-OH 3.29Å; M573-Y610 VanDerWaalsContact O-CE1 3.3Å; M573-Y610 WeakPolarHBondContact O-CE1 3.27Å; M573-Y610 PolarHBondContact O-OH 3.03Å; R575-Y610 HydrophobicContact CB-CD1 3.93Å; R575-Y610 HydrophobicContact CB-CG 4.36Å; R575-Y610 VanDerWaalsContact CD-O 3.29Å; R575-Y610 WeakPolarHBondContact CD-O 3.27Å; R575-Y610 PolarHBondContact NH1-O 3Å; S583-Y610 WeakPolarHBondContact O-CD1 3.44Å; S583-Y610 WeakPolarHBondContact O-CE1 3.39Å; Q585-Y610 HydrophobicContact CG-CE1 4.29Å; Q585-Y610 HydrophobicContact CG-CE2 4.23Å; Q585-Y610 WeakPolarHBondContact CG-OH 3.39Å; Q585-Y610 PolarHBondContact NE2-OH 3.5Å; H587-Y610 AromaticContact NE2-CE2 3.79Å; H587-Y610 AromaticContact NE2-CZ 3.73Å; H587-Y610 PolarHBondContact NE2-OH 2.89Å; L602-Y610 HydrophobicContact CD2-CD2 4.02Å; L602-Y610 HydrophobicContact CD2-CE2 4.19Å; N606-Y610 HydrophobicContact CB-CD2 4.37Å; N606-Y610 HydrophobicContact CB-CE2 4.24Å; N606-Y610 WeakPolarHBondContact O-CD2 3.37Å; N606-Y610 PolarHBondContact O-N 2.86Å; C607-Y610 CarbonylContact O-C 3.51Å; C607-Y610 PolarHBondContact O-N 2.91Å; K608-Y610 VanDerWaalsContact C-N 3.32Å; Y610-A612 PolarHBondContact O-N 3.31Å; Y610-M619 HydrophobicContact CD1-CE 3.4Å; Y610-M619 HydrophobicContact CD2-CE 3.84Å; Y610-M619 HydrophobicContact CE1-CE 3.32Å; Y610-M619 HydrophobicContact CE2-CE 3.78Å; Y610-M619 HydrophobicContact CG-CE 3.64Å; Y610-M619 HydrophobicContact CG-SD 4.41Å; Y610-M619 VanDerWaalsContact CZ-CE 3.49Å |
| 611 | N | 86.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 37.1 Ų | 37.1 | 56% | 0.556 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40.7 | -164.1 | -165.6 | 41.3 | 0 | 0 | 0 | 112.4 | R575 C607 K608 | R575-N611 PolarHBondContact NH1-O 3.41Å; R575-N611 PolarHBondContact NH2-O 3.34Å; C607-N611 WeakPolarHBondContact O-CA 3.13Å; C607-N611 PolarHBondContact O-N 3.4Å; K608-N611 PolarHBondContact O-N 2.91Å |
| 612 | A | 88.8 | Confident | 91.2 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | trans | -96.5 | 145.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I466 C607 Y610 D617 | I466-A612 HydrophobicContact CD1-CB 3.79Å; C607-A612 WeakPolarHBondContact CB-O 3.34Å; C607-A612 PolarHBondContact O-N 3.4Å; Y610-A612 PolarHBondContact O-N 3.31Å; A612-D617 WeakPolarHBondContact CA-OD2 3.02Å; A612-D617 VanDerWaalsContact CB-OD2 3.32Å; A612-D617 WeakPolarHBondContact CB-OD2 3.44Å | ||
| 613 | D | 87.1 | Confident | 91.3 | Very high | 107 Ų | 107 | 35.7 Ų | 35.7 | 57% | 0.572 | 19% | 0.187 | S | C | * | . | trans | -129.8 | -0.5 | -178.8 | 64.8 | 4.6 | 0 | 0 | 0 | 115.3 | D615 D617 | D613-D615 PolarHBondContact OD1-N 3.26Å; D613-D615 VanDerWaalsContact OD1-OD1 3.13Å; D613-D617 PolarHBondContact N-OD2 3.06Å | ||
| 614 | F | 89.6 | Confident | 91.2 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 66.1 | 33.8 | 176.5 | -51.6 | -79.9 | 0 | 0 | 0 | 115.2 | I466 P468 L602 Y604 C607 | I466-F614 HydrophobicContact CB-CD1 4.34Å; I466-F614 HydrophobicContact CB-CE1 4.34Å; I466-F614 HydrophobicContact CD1-CD1 3.7Å; I466-F614 HydrophobicContact CD1-CE1 3.69Å; I466-F614 HydrophobicContact CG1-CD1 3.79Å; I466-F614 HydrophobicContact CG1-CE1 4.08Å; P468-F614 HydrophobicContact CB-CD1 4.32Å; P468-F614 HydrophobicContact CB-CD2 4.16Å; P468-F614 HydrophobicContact CB-CE1 4.08Å; P468-F614 HydrophobicContact CB-CE2 3.89Å; P468-F614 HydrophobicContact CB-CG 4.35Å; P468-F614 HydrophobicContact CB-CZ 3.85Å; P468-F614 HydrophobicContact CG-CD1 4.46Å; P468-F614 HydrophobicContact CG-CD2 4.46Å; P468-F614 HydrophobicContact CG-CG 4.34Å; L602-F614 HydrophobicContact CB-CE1 4.29Å; Y604-F614 AromaticContact CD1-CE2 3.94Å; Y604-F614 HydrophobicContact CD1-CE2 3.94Å; Y604-F614 HydrophobicContact CE1-CE2 4.27Å; C607-F614 WeakPolarHBondContact SG-CE2 3.38Å; C607-F614 WeakPolarHBondContact SG-CZ 3Å |
| 615 | D | 89.3 | Confident | 91.3 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 67% | 0.668 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -86.7 | -9.8 | 173.8 | 67 | -7.3 | 0 | 0 | 0 | 114.5 | D613 D617 | D613-D615 PolarHBondContact OD1-N 3.26Å; D613-D615 VanDerWaalsContact OD1-OD1 3.13Å; D615-D617 PolarHBondContact OD1-N 3.27Å |
| 616 | G | 88.5 | Confident | 91.3 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 36% | 0.361 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 150.9 | -13.4 | -169 | 0 | 0 | 0 | 0 | 0 | 112.2 | E618 | G616-E618 PolarHBondContact O-N 3.43Š|
| 617 | D | 90.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | trans | -31.3 | 121 | 173.1 | -82.4 | -37.1 | 0 | 0 | 0 | 115.3 | V465 I466 R575 A612 D613 D615 | V465-D617 WeakPolarHBondContact CA-O 3.46Å; I466-D617 HydrophobicContact CD1-CB 4.1Å; I466-D617 HydrophobicContact CG1-CB 3.93Å; I466-D617 VanDerWaalsContact CG1-O 3.32Å; I466-D617 WeakPolarHBondContact CG1-O 3.43Å; I466-D617 PolarHBondContact N-O 3.2Å; R575-D617 IonicContact CZ-OD1 2.67Å; R575-D617 VanDerWaalsContact CZ-OD1 3.26Å; R575-D617 IonicContact CZ-OD2 3.87Å; R575-D617 VanDerWaalsContact NE-CG 3.34Å; R575-D617 IonicContact NE-OD1 3.29Å; R575-D617 PolarHBondContact NE-OD1 2.93Å; R575-D617 IonicContact NE-OD2 2.93Å; R575-D617 PolarHBondContact NE-OD2 3.37Å; R575-D617 IonicContact NH2-OD1 2.7Å; R575-D617 PolarHBondContact NH2-OD1 2.96Å; R575-D617 IonicContact NH2-OD2 3.63Å; A612-D617 WeakPolarHBondContact CA-OD2 3.02Å; A612-D617 VanDerWaalsContact CB-OD2 3.32Å; A612-D617 WeakPolarHBondContact CB-OD2 3.44Å; D613-D617 PolarHBondContact N-OD2 3.06Å; D615-D617 PolarHBondContact OD1-N 3.27Å | ||
| 618 | E | 93.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 143.1 | 171.3 | -57.8 | -162.5 | 124.2 | 0 | 0 | 111.8 | R463 V465 G616 | R463-E618 HydrophobicContact CG-CB 4.44Å; R463-E618 IonicContact CZ-OE2 3.76Å; R463-E618 IonicContact NE-OE2 3.52Å; R463-E618 PolarHBondContact NE-OE2 3.35Å; R463-E618 IonicContact NH2-OE2 3.63Å; R463-E618 PolarHBondContact NH2-OE2 3.27Å; V465-E618 HydrophobicContact CG2-CG 4Å; G616-E618 PolarHBondContact O-N 3.43Å |
| 619 | M | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.4 | 174.7 | -67.7 | -173.2 | 70.4 | 0 | 0 | 110.7 | R463 S464 I466 M573 N574 R575 L602 Y610 | R463-M619 WeakPolarHBondContact CA-O 3Å; S464-M619 PolarHBondContact N-O 3.2Å; S464-M619 PolarHBondContact O-N 3.11Å; S464-M619 VanDerWaalsContact O-N 3.07Å; I466-M619 HydrophobicContact CD1-CG 4.36Å; I466-M619 HydrophobicContact CD1-SD 3.88Å; I466-M619 HydrophobicContact CG2-CB 3.8Å; I466-M619 HydrophobicContact CG2-CG 3.64Å; I466-M619 HydrophobicContact CG2-SD 3.62Å; M573-M619 HydrophobicContact CB-CE 3.95Å; M573-M619 HydrophobicContact CE-CB 3.68Å; M573-M619 HydrophobicContact CE-CE 4.09Å; M573-M619 HydrophobicContact CE-SD 4.23Å; N574-M619 WeakPolarHBondContact O-CA 3.25Å; N574-M619 WeakPolarHBondContact O-CB 3.31Å; R575-M619 HydrophobicContact CB-CE 4.15Å; R575-M619 HydrophobicContact CB-CG 4.1Å; R575-M619 HydrophobicContact CG-CG 4.47Å; L602-M619 HydrophobicContact CD2-SD 4.15Å; Y610-M619 HydrophobicContact CD1-CE 3.4Å; Y610-M619 HydrophobicContact CD2-CE 3.84Å; Y610-M619 HydrophobicContact CE1-CE 3.32Å; Y610-M619 HydrophobicContact CE2-CE 3.78Å; Y610-M619 HydrophobicContact CG-CE 3.64Å; Y610-M619 HydrophobicContact CG-SD 4.41Å; Y610-M619 VanDerWaalsContact CZ-CE 3.49Å |
| 620 | N | 94.6 | Very high | 91.7 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 141.7 | 170.7 | -32.9 | -81.1 | 0 | 0 | 0 | 110.8 | C462 R463 M573 N574 | C462-N620 CarbonylContact O-C 3.52Å; C462-N620 WeakPolarHBondContact O-CA 3.25Å; C462-N620 WeakPolarHBondContact O-CB 3.31Å; R463-N620 WeakPolarHBondContact CB-OD1 3.15Å; R463-N620 VanDerWaalsContact CD-OD1 3.27Å; R463-N620 WeakPolarHBondContact CD-OD1 3.21Å; R463-N620 VanDerWaalsContact CG-OD1 3.31Å; R463-N620 WeakPolarHBondContact CG-OD1 3.46Å; M573-N620 WeakPolarHBondContact CA-O 3.46Å; N574-N620 PolarHBondContact N-O 3.08Å; N574-N620 PolarHBondContact O-N 3.28Å; N574-N620 WeakPolarHBondContact OD1-CA 3.27Å; N574-N620 WeakPolarHBondContact OD1-CB 3.47Å; N574-N620 PolarHBondContact OD1-N 2.99Å; N574-N620 PolarHBondContact OD1-ND2 3.2Å; N574-N620 PolarHBondContact OD1-O 3.5Å; N574-N620 VanDerWaalsContact OD1-O 3.1Å |
| 621 | G | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 114.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A461 C462 I572 | A461-G621 CarbonylContact C-O 3.6Å; A461-G621 VanDerWaalsContact CA-O 3.24Å; A461-G621 WeakPolarHBondContact CA-O 3.48Å; C462-G621 PolarHBondContact N-O 2.88Å; C462-G621 PolarHBondContact O-N 2.75Å; C462-G621 PolarHBondContact SG-O 3.36Å; I572-G621 CarbonylContact O-C 3.52Å; I572-G621 VanDerWaalsContact O-CA 3.29Å; I572-G621 WeakPolarHBondContact O-CA 3.04Å |
| 622 | H | 95.2 | Very high | 92.1 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.8 | 177.9 | -56.9 | -84.8 | 0 | 0 | 0 | 111.2 | I572 N574 | I572-H622 HydrophobicContact CB-CB 4.24Å; I572-H622 PolarHBondContact N-O 2.96Å; I572-H622 PolarHBondContact O-N 3.3Å; N574-H622 PolarHBondContact OD1-NE2 2.79Å |
| 623 | F | 95.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111.2 | -178.7 | -171.9 | -139.7 | 0 | 0 | 0 | 112.2 | F460 L487 T488 F489 L565 D569 L571 Q625 | F460-F623 WeakPolarHBondContact O-CB 3.35Å; F460-F623 PolarHBondContact O-N 3.34Å; L487-F623 HydrophobicContact CB-CD1 4.11Å; T488-F623 WeakPolarHBondContact O-CE1 3.24Å; F489-F623 HydrophobicContact CB-CE1 3.67Å; F489-F623 HydrophobicContact CB-CZ 3.64Å; F489-F623 HydrophobicContact CD2-CE1 4.27Å; F489-F623 HydrophobicContact CD2-CE2 4.36Å; F489-F623 AromaticContact CD2-CZ 3.86Å; F489-F623 HydrophobicContact CD2-CZ 3.86Å; F489-F623 HydrophobicContact CG-CE1 4.44Å; F489-F623 HydrophobicContact CG-CZ 4.09Å; L565-F623 HydrophobicContact CD1-CD1 4.18Å; L565-F623 HydrophobicContact CD1-CD2 3.7Å; L565-F623 HydrophobicContact CD1-CE1 3.81Å; L565-F623 HydrophobicContact CD1-CE2 3.36Å; L565-F623 HydrophobicContact CD1-CG 4.12Å; L565-F623 HydrophobicContact CD1-CZ 3.39Å; D569-F623 HydrophobicContact CB-CE2 3.97Å; D569-F623 HydrophobicContact CB-CZ 4.36Å; L571-F623 HydrophobicContact CD1-CB 3.98Å; F623-Q625 PolarHBondContact O-NE2 3.49Å |
| 624 | V | 92.7 | Very high | 92.5 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | trans | -64 | 149.6 | -178.2 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | F489 I572 A629 K630 L633 | F489-V624 VanDerWaalsContact CD2-O 3.25Å; F489-V624 WeakPolarHBondContact CD2-O 3.36Å; F489-V624 WeakPolarHBondContact CE2-O 3.46Å; I572-V624 HydrophobicContact CD1-CG1 4.18Å; V624-A629 HydrophobicContact CB-CB 3.98Å; V624-A629 HydrophobicContact CG1-CB 3.97Å; V624-K630 HydrophobicContact CG2-CB 4.31Å; V624-L633 HydrophobicContact CB-CD1 4.43Å; V624-L633 HydrophobicContact CG1-CD1 3.51Å; V624-L633 HydrophobicContact CG1-CG 4.35Å; V624-L633 HydrophobicContact CG2-CD1 4.05Å | ||
| 625 | Q | 93.1 | Very high | 92.6 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | trans | -111.6 | -1.7 | -173.7 | -61 | -62.1 | -58.6 | 0 | 0 | 113.7 | F460 T488 P490 F623 | F460-Q625 HydrophobicContact CD2-CG 3.69Å; F460-Q625 HydrophobicContact CE2-CG 4.1Å; F460-Q625 HydrophobicContact CG-CG 4.17Å; F460-Q625 VanDerWaalsContact CG-NE2 3.34Å; T488-Q625 PolarHBondContact O-NE2 2.97Å; T488-Q625 PolarHBondContact O-OE1 3.26Å; P490-Q625 HydrophobicContact CG-CB 4.46Å; P490-Q625 VanDerWaalsContact CG-O 3.27Å; P490-Q625 WeakPolarHBondContact CG-O 3.33Å; F623-Q625 PolarHBondContact O-NE2 3.49Å | ||
| 626 | S | 92.1 | Very high | 92.7 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -127.2 | 152.7 | -179.5 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | A629 K630 | S626-A629 VanDerWaalsContact OG-CB 3.31Å; S626-A629 WeakPolarHBondContact OG-CB 3.12Å; S626-A629 PolarHBondContact OG-N 3.45Å; S626-K630 PolarHBondContact O-N 3.21Å; S626-K630 VanDerWaalsContact O-N 3.09Å |
| 627 | Y | 92 | Very high | 92.9 | Very high | 121 Ų | 121 | 44.5 Ų | 44.5 | 48% | 0.475 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.7 | -31.8 | 175.5 | -74.7 | -81.6 | 0 | 0 | 0 | 112.8 | F489 P492 K630 A631 | F489-Y627 HydrophobicContact CE1-CD2 4.46Å; F489-Y627 HydrophobicContact CE1-CE1 4.02Å; F489-Y627 AromaticContact CE1-CE2 3.88Å; F489-Y627 HydrophobicContact CE1-CE2 3.88Å; F489-Y627 AromaticContact CE1-CZ 3.65Å; F489-Y627 HydrophobicContact CZ-CD1 4.4Å; F489-Y627 HydrophobicContact CZ-CD2 4.34Å; F489-Y627 HydrophobicContact CZ-CE1 4.29Å; F489-Y627 HydrophobicContact CZ-CE2 4.21Å; F489-Y627 HydrophobicContact CZ-CG 4.43Å; P492-Y627 HydrophobicContact CG-CE2 4.22Å; Y627-K630 PolarHBondContact O-N 2.88Å; Y627-A631 PolarHBondContact O-N 2.89Å |
| 628 | A | 91.7 | Very high | 93 | Very high | 69 Ų | 69 | 44 Ų | 44 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -49.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K630 A631 E632 | A628-K630 VanDerWaalsContact C-N 3.32Å; A628-K630 PolarHBondContact O-N 2.83Å; A628-A631 WeakPolarHBondContact O-CB 3.27Å; A628-A631 PolarHBondContact O-N 3.43Å; A628-A631 VanDerWaalsContact O-N 3.14Å; A628-E632 PolarHBondContact O-N 3.32Å |
| 629 | A | 92.2 | Very high | 93 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V624 S626 A631 E632 L633 | V624-A629 HydrophobicContact CB-CB 3.98Å; V624-A629 HydrophobicContact CG1-CB 3.97Å; S626-A629 VanDerWaalsContact OG-CB 3.31Å; S626-A629 WeakPolarHBondContact OG-CB 3.12Å; S626-A629 PolarHBondContact OG-N 3.45Å; A629-A631 VanDerWaalsContact C-N 3.29Å; A629-A631 PolarHBondContact O-N 3.13Å; A629-E632 PolarHBondContact O-N 2.85Å; A629-L633 VanDerWaalsContact O-CG 3.29Å; A629-L633 WeakPolarHBondContact O-CG 3.32Å; A629-L633 PolarHBondContact O-N 2.94Å |
| 630 | K | 93 | Very high | 92.9 | Very high | 46 Ų | 46 | 42.3 Ų | 42.3 | 20% | 0.2 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.4 | -174.7 | 171.4 | 178.9 | 168.1 | 0 | 112.2 | D569 M570 V624 S626 Y627 A628 L633 E634 | D569-K630 IonicContact OD1-NZ 3.25Å; D569-K630 PolarHBondContact OD1-NZ 2.77Å; M570-K630 HydrophobicContact CG-CG 4.39Å; V624-K630 HydrophobicContact CG2-CB 4.31Å; S626-K630 PolarHBondContact O-N 3.21Å; S626-K630 VanDerWaalsContact O-N 3.09Å; Y627-K630 PolarHBondContact O-N 2.88Å; A628-K630 VanDerWaalsContact C-N 3.32Å; A628-K630 PolarHBondContact O-N 2.83Å; K630-L633 PolarHBondContact O-N 3.44Å; K630-E634 PolarHBondContact O-N 3.39Å; K630-E634 VanDerWaalsContact O-N 3.1Å |
| 631 | A | 93.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.3 | -42.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y627 A628 A629 L633 E634 T635 | Y627-A631 PolarHBondContact O-N 2.89Å; A628-A631 WeakPolarHBondContact O-CB 3.27Å; A628-A631 PolarHBondContact O-N 3.43Å; A628-A631 VanDerWaalsContact O-N 3.14Å; A629-A631 VanDerWaalsContact C-N 3.29Å; A629-A631 PolarHBondContact O-N 3.13Å; A631-L633 VanDerWaalsContact C-N 3.34Å; A631-L633 PolarHBondContact O-N 3.17Å; A631-E634 PolarHBondContact O-N 3.33Å; A631-T635 WeakPolarHBondContact O-CG2 3.03Å; A631-T635 PolarHBondContact O-N 3.03Å; A631-T635 VanDerWaalsContact O-N 3.13Å; A631-T635 PolarHBondContact O-OG1 2.91Å |
| 632 | E | 92.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.2 | -68.7 | -178.7 | 158.4 | 0 | 0 | 111.5 | A628 A629 T635 L636 A637 T1764 | A628-E632 PolarHBondContact O-N 3.32Å; A629-E632 PolarHBondContact O-N 2.85Å; E632-T635 PolarHBondContact O-N 3.15Å; E632-L636 VanDerWaalsContact O-CB 3.31Å; E632-L636 WeakPolarHBondContact O-CB 3.34Å; E632-L636 PolarHBondContact O-N 3.13Å; E632-A637 PolarHBondContact O-N 3.06Å; E632-T1764 HydrophobicContact CG-CG2 4.18Å; E632-T1764 WeakPolarHBondContact OE1-CB 3.41Å; E632-T1764 PolarHBondContact OE1-OG1 3.25Å |
| 633 | L | 93.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 178.2 | -68.7 | -172 | 0 | 0 | 0 | 113 | M570 I572 A586 V624 A629 K630 A631 A637 S638 | M570-L633 HydrophobicContact CB-CB 4.44Å; M570-L633 HydrophobicContact CB-CD1 4.2Å; I572-L633 HydrophobicContact CD1-CD1 3.79Å; I572-L633 HydrophobicContact CD1-CD2 3.58Å; I572-L633 HydrophobicContact CD1-CG 4.27Å; I572-L633 HydrophobicContact CG1-CD1 3.41Å; I572-L633 VanDerWaalsContact CG1-CD1 3.41Å; I572-L633 HydrophobicContact CG1-CD2 3.68Å; I572-L633 HydrophobicContact CG1-CG 4.18Å; A586-L633 HydrophobicContact CB-CB 3.84Å; A586-L633 HydrophobicContact CB-CD1 4.23Å; A586-L633 HydrophobicContact CB-CD2 4.17Å; A586-L633 HydrophobicContact CB-CG 4.29Å; V624-L633 HydrophobicContact CB-CD1 4.43Å; V624-L633 HydrophobicContact CG1-CD1 3.51Å; V624-L633 HydrophobicContact CG1-CG 4.35Å; V624-L633 HydrophobicContact CG2-CD1 4.05Å; A629-L633 VanDerWaalsContact O-CG 3.29Å; A629-L633 WeakPolarHBondContact O-CG 3.32Å; A629-L633 PolarHBondContact O-N 2.94Å; K630-L633 PolarHBondContact O-N 3.44Å; A631-L633 VanDerWaalsContact C-N 3.34Å; A631-L633 PolarHBondContact O-N 3.17Å; L633-A637 HydrophobicContact CD2-CB 3.9Å; L633-A637 CarbonylContact O-C 3.59Å; L633-A637 PolarHBondContact O-N 3.02Å; L633-S638 WeakPolarHBondContact O-CA 3.43Å; L633-S638 WeakPolarHBondContact O-CB 3.22Å; L633-S638 PolarHBondContact O-N 3.44Å |
| 634 | E | 91.2 | Very high | 92.3 | Very high | 74 Ų | 74 | 43.5 Ų | 43.5 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.8 | -37.6 | -179 | -175.3 | 159.6 | -148.3 | 0 | 0 | 111.9 | R588 K630 A631 S638 | R588-E634 IonicContact CZ-OE1 2.7Å; R588-E634 IonicContact NH1-OE1 3.38Å; R588-E634 PolarHBondContact NH1-OE1 3.14Å; R588-E634 IonicContact NH2-OE1 3.51Å; R588-E634 PolarHBondContact NH2-OE1 2.91Å; K630-E634 PolarHBondContact O-N 3.39Å; K630-E634 VanDerWaalsContact O-N 3.1Å; A631-E634 PolarHBondContact O-N 3.33Å; E634-S638 WeakPolarHBondContact O-CB 3.39Å; E634-S638 PolarHBondContact O-OG 3.41Å |
| 635 | T | 90.7 | Very high | 92.3 | Very high | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.503 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -94.9 | -31.8 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | A631 E632 H641 | A631-T635 WeakPolarHBondContact O-CG2 3.03Å; A631-T635 PolarHBondContact O-N 3.03Å; A631-T635 VanDerWaalsContact O-N 3.13Å; A631-T635 PolarHBondContact O-OG1 2.91Å; E632-T635 PolarHBondContact O-N 3.15Å; T635-H641 PolarHBondContact O-CD2 3.12Å; T635-H641 PolarHBondContact O-NE2 3.23Å |
| 636 | L | 91.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -43 | -173.4 | -58.1 | 177.3 | 0 | 0 | 0 | 113.1 | R581 E632 Q642 T1764 | R581-L636 PolarHBondContact NH2-O 3.49Å; R581-L636 VanDerWaalsContact NH2-O 3.16Å; E632-L636 VanDerWaalsContact O-CB 3.31Å; E632-L636 WeakPolarHBondContact O-CB 3.34Å; E632-L636 PolarHBondContact O-N 3.13Å; L636-Q642 PolarHBondContact O-NE2 3.44Å; L636-T1764 HydrophobicContact CD1-CG2 3.68Å |
| 637 | A | 92.7 | Very high | 92 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -104.4 | 0.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q585 A586 E632 L633 | Q585-A637 WeakPolarHBondContact CA-O 3.17Å; A586-A637 PolarHBondContact N-O 3.34Å; E632-A637 PolarHBondContact O-N 3.06Å; L633-A637 HydrophobicContact CD2-CB 3.9Å; L633-A637 CarbonylContact O-C 3.59Å; L633-A637 PolarHBondContact O-N 3.02Å |
| 638 | S | 93.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -69.9 | 150.9 | -178.8 | 65.7 | 0 | 0 | 0 | 0 | 111.5 | A586 L633 E634 P640 H641 Q642 | A586-S638 WeakPolarHBondContact O-CA 3.2Å; L633-S638 WeakPolarHBondContact O-CA 3.43Å; L633-S638 WeakPolarHBondContact O-CB 3.22Å; L633-S638 PolarHBondContact O-N 3.44Å; E634-S638 WeakPolarHBondContact O-CB 3.39Å; E634-S638 PolarHBondContact O-OG 3.41Å; S638-P640 VanDerWaalsContact C-N 3.32Å; S638-H641 PolarHBondContact O-N 3.17Å; S638-H641 PolarHBondContact OG-CD2 3.13Å; S638-Q642 PolarHBondContact O-N 2.98Å |
| 639 | V | 93.5 | Very high | 91.6 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -48.4 | -44.8 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 113.7 | V474 Q585 A586 H587 H641 Q642 | V474-V639 HydrophobicContact CG1-CG1 4.2Å; Q585-V639 HydrophobicContact CG-CG2 4.33Å; A586-V639 PolarHBondContact O-N 2.91Å; H587-V639 WeakPolarHBondContact CE1-CG2 3.44Å; H587-V639 WeakPolarHBondContact ND1-CG2 3.33Å; V639-H641 VanDerWaalsContact C-N 3.27Å; V639-H641 PolarHBondContact O-N 3.07Å; V639-Q642 PolarHBondContact O-N 3.34Å; V639-Q642 VanDerWaalsContact O-N 3.11Å |
| 640 | P | 92.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -59.9 | -34.8 | 179.9 | -25.8 | 37.4 | 0 | 0 | 0 | 113.8 | T475 S638 P802 S806 | T475-P640 HydrophobicContact CG2-CG 3.58Å; S638-P640 VanDerWaalsContact C-N 3.32Å; P640-P802 HydrophobicContact CB-CB 3.87Å; P640-P802 WeakPolarHBondContact O-CB 3.07Å; P640-S806 WeakPolarHBondContact CB-OG 3.24Å |
| 641 | H | 92.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 31.2 Ų | 31.2 | 32% | 0.324 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -81.2 | -17.6 | 179.3 | -66.4 | -57.7 | 0 | 0 | 0 | 113 | T635 S638 V639 Y643 | T635-H641 PolarHBondContact O-CD2 3.12Å; T635-H641 PolarHBondContact O-NE2 3.23Å; S638-H641 PolarHBondContact O-N 3.17Å; S638-H641 PolarHBondContact OG-CD2 3.13Å; V639-H641 VanDerWaalsContact C-N 3.27Å; V639-H641 PolarHBondContact O-N 3.07Å; H641-Y643 VanDerWaalsContact C-N 3.33Å |
| 642 | Q | 91.8 | Very high | 91.1 | Very high | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.056 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -96.2 | 23.3 | 176 | -59.1 | -58.5 | -49.3 | 0 | 0 | 112.7 | Q585 L636 S638 V639 L644 | Q585-Q642 HydrophobicContact CB-CG 4.17Å; L636-Q642 PolarHBondContact O-NE2 3.44Å; S638-Q642 PolarHBondContact O-N 2.98Å; V639-Q642 PolarHBondContact O-N 3.34Å; V639-Q642 VanDerWaalsContact O-N 3.11Å; Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.47Å |
| 643 | Y | 91.8 | Very high | 90.8 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -65.1 | -34.2 | 179.7 | 177.1 | -107.8 | 0 | 0 | 0 | 113.2 | H641 P651 L652 A653 I793 H794 Y797 | H641-Y643 VanDerWaalsContact C-N 3.33Å; Y643-P651 HydrophobicContact CE1-CB 3.77Å; Y643-P651 HydrophobicContact CE1-CG 3.79Å; Y643-P651 HydrophobicContact CE2-CB 4.11Å; Y643-P651 CarbonylContact O-C 3.59Å; Y643-P651 WeakPolarHBondContact O-CA 3.46Å; Y643-P651 WeakPolarHBondContact OH-CB 3.49Å; Y643-L652 PolarHBondContact O-N 3.45Å; Y643-A653 HydrophobicContact CD2-CB 4Å; Y643-A653 HydrophobicContact CE2-CB 4.34Å; Y643-A653 WeakPolarHBondContact CE2-O 3.02Å; Y643-I793 HydrophobicContact CE2-CG2 3.9Å; Y643-I793 WeakPolarHBondContact OH-CG2 3.48Å; Y643-H794 HydrophobicContact CE1-CB 4.39Å; Y643-H794 PolarHBondContact OH-N 2.83Å; Y643-Y797 AromaticContact CD1-CD2 3.63Å; Y643-Y797 HydrophobicContact CD1-CD2 3.63Å; Y643-Y797 AromaticContact CD1-CE2 4Å; Y643-Y797 HydrophobicContact CD1-CE2 4Å; Y643-Y797 AromaticContact CD1-CG 4Å; Y643-Y797 HydrophobicContact CD1-CG 4Å; Y643-Y797 HydrophobicContact CE1-CD2 4.33Å; Y643-Y797 HydrophobicContact CE1-CG 4.33Å; Y643-Y797 HydrophobicContact CG-CD2 4.13Å; Y643-Y797 HydrophobicContact CG-CE2 4.34Å |
| 644 | L | 91.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -103.2 | 141.3 | -176.3 | -57.8 | 177.7 | 0 | 0 | 0 | 111.5 | Q642 T650 P651 Y797 C1063 | Q642-L644 VanDerWaalsContact C-N 3.34Å; Q642-L644 PolarHBondContact O-N 3.47Å; L644-T650 CarbonylContact C-O 3.53Å; L644-T650 WeakPolarHBondContact CA-O 3.49Å; L644-P651 HydrophobicContact CD2-CG 4.08Å; L644-Y797 HydrophobicContact CD1-CD1 4.36Å; L644-Y797 HydrophobicContact CD1-CE1 3.65Å; L644-Y797 HydrophobicContact CG-CE1 4.31Å; L644-C1063 HydrophobicContact CB-CB 4.26Å; L644-C1063 HydrophobicContact CD1-CB 4.08Å; L644-C1063 VanDerWaalsContact CD1-O 3.24Å; L644-C1063 WeakPolarHBondContact CD1-O 3.42Å |
| 645 | V | 91 | Very high | 90.8 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.067 | 13% | 0.125 | C | C | . | . | trans | -76 | 132.1 | 173.2 | -163.4 | 0 | 0 | 0 | 0 | 109.7 | K647 G649 T650 L652 | V645-K647 HydrophobicContact CB-CB 4.44Å; V645-K647 HydrophobicContact CG1-CB 3.61Å; V645-K647 PolarHBondContact O-N 2.89Å; V645-G649 VanDerWaalsContact O-CA 3.28Å; V645-G649 WeakPolarHBondContact O-CA 3.49Å; V645-G649 PolarHBondContact O-N 3.03Å; V645-T650 WeakPolarHBondContact CG2-O 3.21Å; V645-T650 PolarHBondContact N-O 2.82Å; V645-L652 HydrophobicContact CB-CG 4.41Å; V645-L652 HydrophobicContact CG2-CD1 3.87Å; V645-L652 HydrophobicContact CG2-CD2 3.38Å; V645-L652 HydrophobicContact CG2-CG 3.31Å | ||
| 646 | P | 89.7 | Confident | 90.8 | Very high | 15 Ų | 15 | 20.8 Ų | 20.8 | 10% | 0.097 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.8 | 171.8 | -26 | 35.3 | 0 | 0 | 0 | 114.9 | V1062 L1203 H1693 | P646-V1062 VanDerWaalsContact O-CG1 3.23Å; P646-V1062 WeakPolarHBondContact O-CG1 3.42Å; P646-L1203 HydrophobicContact CB-CD2 4.1Å; P646-L1203 HydrophobicContact CG-CD2 4.2Å; P646-H1693 PolarHBondContact O-NE2 3.04Å |
| 647 | K | 90.4 | Very high | 90.8 | Very high | 24 Ų | 24 | 20.7 Ų | 20.7 | 10% | 0.104 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -46.4 | -177.7 | 171.5 | -177.1 | 163.8 | -178.1 | 0 | 114.1 | V645 S1207 E1210 P1211 H1688 N1690 | V645-K647 HydrophobicContact CB-CB 4.44Å; V645-K647 HydrophobicContact CG1-CB 3.61Å; V645-K647 PolarHBondContact O-N 2.89Å; K647-S1207 WeakPolarHBondContact CA-OG 3.38Å; K647-E1210 IonicContact NZ-OE2 2.84Å; K647-P1211 HydrophobicContact CD-CG 3.81Å; K647-H1688 WeakPolarHBondContact CE-O 3.25Å; K647-N1690 WeakPolarHBondContact O-CB 3.39Å; K647-N1690 PolarHBondContact O-N 3.22Å |
| 648 | D | 87.3 | Confident | 90.8 | Very high | 44 Ų | 44 | 23.7 Ų | 23.7 | 24% | 0.235 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | -3.7 | -172.8 | 64.4 | -4.6 | 0 | 0 | 0 | 114.2 | T650 | D648-T650 VanDerWaalsContact C-N 3.33Å; D648-T650 VanDerWaalsContact CG-CG2 3.42Å; D648-T650 VanDerWaalsContact OD1-CB 3.32Å; D648-T650 WeakPolarHBondContact OD1-CB 3.48Å; D648-T650 WeakPolarHBondContact OD1-CG2 3.26Å; D648-T650 PolarHBondContact OD1-N 3.47Å; D648-T650 PolarHBondContact OD1-OG1 2.74Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.39Å; D648-T650 PolarHBondContact OD2-OG1 3.26Å |
| 649 | G | 87.4 | Confident | 90.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 76.2 | 17.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V645 | V645-G649 VanDerWaalsContact O-CA 3.28Å; V645-G649 WeakPolarHBondContact O-CA 3.49Å; V645-G649 PolarHBondContact O-N 3.03Å |
| 650 | T | 90 | Very high | 90.7 | Very high | 40 Ų | 40 | 23.6 Ų | 23.6 | 25% | 0.245 | 12% | 0.124 | C | C | . | . | trans | -78.9 | 150.5 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | L644 V645 D648 | L644-T650 CarbonylContact C-O 3.53Å; L644-T650 WeakPolarHBondContact CA-O 3.49Å; V645-T650 WeakPolarHBondContact CG2-O 3.21Å; V645-T650 PolarHBondContact N-O 2.82Å; D648-T650 VanDerWaalsContact C-N 3.33Å; D648-T650 VanDerWaalsContact CG-CG2 3.42Å; D648-T650 VanDerWaalsContact OD1-CB 3.32Å; D648-T650 WeakPolarHBondContact OD1-CB 3.48Å; D648-T650 WeakPolarHBondContact OD1-CG2 3.26Å; D648-T650 PolarHBondContact OD1-N 3.47Å; D648-T650 PolarHBondContact OD1-OG1 2.74Å; D648-T650 WeakPolarHBondContact OD2-CG2 3.39Å; D648-T650 PolarHBondContact OD2-OG1 3.26Å | ||
| 651 | P | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -66.5 | 137.4 | 173.3 | -27.9 | 38.8 | 0 | 0 | 0 | 114.1 | Y643 L644 S787 S788 H794 | Y643-P651 HydrophobicContact CE1-CB 3.77Å; Y643-P651 HydrophobicContact CE1-CG 3.79Å; Y643-P651 HydrophobicContact CE2-CB 4.11Å; Y643-P651 CarbonylContact O-C 3.59Å; Y643-P651 WeakPolarHBondContact O-CA 3.46Å; Y643-P651 WeakPolarHBondContact OH-CB 3.49Å; L644-P651 HydrophobicContact CD2-CG 4.08Å; P651-S787 WeakPolarHBondContact O-CB 3.23Å; P651-S788 WeakPolarHBondContact CG-O 3.43Å; P651-H794 HydrophobicContact CG-CB 4.12Å |
| 652 | L | 87.5 | Confident | 90.7 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | trans | -91.5 | -54.7 | 169.6 | -77.4 | 174.3 | 0 | 0 | 0 | 112.2 | P582 K608 A609 Y643 V645 S787 | P582-L652 HydrophobicContact CB-CD1 3.42Å; P582-L652 VanDerWaalsContact CB-CD1 3.42Å; P582-L652 HydrophobicContact CG-CD1 3.57Å; K608-L652 HydrophobicContact CD-CD2 4.46Å; K608-L652 WeakPolarHBondContact CD-O 3.29Å; K608-L652 HydrophobicContact CG-CD2 4.48Å; A609-L652 HydrophobicContact CB-CB 4.47Å; A609-L652 HydrophobicContact CB-CD1 4.16Å; Y643-L652 PolarHBondContact O-N 3.45Å; V645-L652 HydrophobicContact CB-CG 4.41Å; V645-L652 HydrophobicContact CG2-CD1 3.87Å; V645-L652 HydrophobicContact CG2-CD2 3.38Å; V645-L652 HydrophobicContact CG2-CG 3.31Å; L652-S787 WeakPolarHBondContact O-CB 3.31Å | ||
| 653 | A | 86.8 | Confident | 90.8 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | trans | -75.1 | 136.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S605 Y643 L809 | S605-A653 WeakPolarHBondContact O-CA 3.41Å; Y643-A653 HydrophobicContact CD2-CB 4Å; Y643-A653 HydrophobicContact CE2-CB 4.34Å; Y643-A653 WeakPolarHBondContact CE2-O 3.02Å; A653-L809 HydrophobicContact CB-CD2 4.46Å | ||
| 654 | G | 90.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | trans | -172.7 | 158.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S605 | S605-G654 WeakPolarHBondContact CA-O 3.3Š| ||
| 655 | L | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -75.1 | 141.4 | 175.7 | -57.4 | -179.4 | 0 | 0 | 0 | 110 | H659 V660 I785 L809 I812 | L655-H659 HydrophobicContact CB-CB 3.82Å; L655-H659 HydrophobicContact CD1-CB 4.23Å; L655-H659 HydrophobicContact CG-CB 4.44Å; L655-V660 WeakPolarHBondContact O-CG2 3.36Å; L655-I785 HydrophobicContact CB-CD1 4.16Å; L655-I785 HydrophobicContact CB-CG1 4.25Å; L655-I785 HydrophobicContact CD1-CD1 4.21Å; L655-I785 PolarHBondContact N-O 3.01Å; L655-L809 HydrophobicContact CD1-CD1 4.45Å; L655-L809 HydrophobicContact CD2-CD1 3.79Å; L655-L809 HydrophobicContact CD2-CG 4.07Å; L655-L809 HydrophobicContact CG-CD1 3.62Å; L655-L809 HydrophobicContact CG-CG 4.38Å; L655-I812 HydrophobicContact CD1-CB 3.87Å; L655-I812 HydrophobicContact CD1-CG2 3.49Å; L655-I812 VanDerWaalsContact CD1-CG2 3.49Å | ||
| 656 | I | 91.6 | Very high | 90.7 | Very high | 58 Ų | 58 | 20.7 Ų | 20.7 | 30% | 0.297 | 11% | 0.11 | S | C | . | . | trans | -125.1 | 162.4 | -174.8 | 63.4 | 171.6 | 0 | 0 | 0 | 110.9 | D658 H659 | I656-D658 PolarHBondContact O-N 2.83Å; I656-H659 PolarHBondContact O-N 2.74Å | ||
| 657 | Q | 91 | Very high | 90.7 | Very high | 79 Ų | 79 | 20 Ų | 20 | 37% | 0.369 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | -116.8 | 169.2 | -56.9 | 179.7 | 0.1 | 0 | 0 | 113.6 | H659 V660 I661 | Q657-H659 VanDerWaalsContact C-N 3.29Å; Q657-H659 PolarHBondContact O-N 2.62Å; Q657-V660 WeakPolarHBondContact O-CB 3.38Å; Q657-V660 PolarHBondContact O-N 3.18Å; Q657-I661 PolarHBondContact O-N 2.86Å |
| 658 | D | 92.1 | Very high | 90.5 | Very high | 85 Ų | 85 | 20.8 Ų | 20.8 | 46% | 0.455 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -61.1 | -34.9 | -171.6 | -67.1 | 0.1 | 0 | 0 | 0 | 113.1 | I656 V660 I661 A662 L820 | I656-D658 PolarHBondContact O-N 2.83Å; D658-V660 VanDerWaalsContact C-N 3.27Å; D658-V660 PolarHBondContact O-N 3.09Å; D658-I661 PolarHBondContact O-N 2.63Å; D658-A662 VanDerWaalsContact O-CB 3.24Å; D658-A662 WeakPolarHBondContact O-CB 3.44Å; D658-A662 PolarHBondContact O-N 3Å; D658-L820 HydrophobicContact CB-CD1 3.8Å |
| 659 | H | 93.2 | Very high | 90.3 | Very high | 11 Ų | 11 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -35.7 | 176.3 | -64.9 | 161 | 0 | 0 | 0 | 112 | Y604 L655 I656 Q657 A663 S813 A816 | Y604-H659 AromaticContact CD2-CE1 3.72Å; L655-H659 HydrophobicContact CB-CB 3.82Å; L655-H659 HydrophobicContact CD1-CB 4.23Å; L655-H659 HydrophobicContact CG-CB 4.44Å; I656-H659 PolarHBondContact O-N 2.74Å; Q657-H659 VanDerWaalsContact C-N 3.29Å; Q657-H659 PolarHBondContact O-N 2.62Å; H659-A663 VanDerWaalsContact O-CB 3.3Å; H659-A663 WeakPolarHBondContact O-CB 3.47Å; H659-A663 PolarHBondContact O-N 3.35Å; H659-S813 PolarHBondContact CE1-OG 3.03Å; H659-A816 HydrophobicContact CB-CB 4.25Å |
| 660 | V | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.8 | -43.9 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | L655 Q657 D658 A662 A663 V664 K782 I785 V936 A938 | L655-V660 WeakPolarHBondContact O-CG2 3.36Å; Q657-V660 WeakPolarHBondContact O-CB 3.38Å; Q657-V660 PolarHBondContact O-N 3.18Å; D658-V660 VanDerWaalsContact C-N 3.27Å; D658-V660 PolarHBondContact O-N 3.09Å; V660-A662 VanDerWaalsContact C-N 3.33Å; V660-A662 PolarHBondContact O-N 3.42Å; V660-A663 PolarHBondContact O-N 3.28Å; V660-V664 WeakPolarHBondContact O-CG2 3.4Å; V660-V664 PolarHBondContact O-N 2.8Å; V660-K782 HydrophobicContact CG1-CB 3.98Å; V660-I785 HydrophobicContact CG2-CD1 4.32Å; V660-I785 HydrophobicContact CG2-CG1 4.46Å; V660-V936 HydrophobicContact CG1-CG1 3.43Å; V660-V936 VanDerWaalsContact CG1-CG1 3.43Å; V660-A938 HydrophobicContact CB-CB 4.29Å |
| 661 | I | 92.3 | Very high | 90 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.6 | -59.7 | 171.2 | 0 | 0 | 0 | 110.4 | Q657 D658 V664 K665 F825 M933 A938 | Q657-I661 PolarHBondContact O-N 2.86Å; D658-I661 PolarHBondContact O-N 2.63Å; I661-V664 PolarHBondContact O-N 3.26Å; I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.34Å; I661-K665 WeakPolarHBondContact O-CG 3.46Å; I661-K665 PolarHBondContact O-N 3.16Å; I661-F825 HydrophobicContact CD1-CD1 3.93Å; I661-F825 HydrophobicContact CD1-CE1 3.56Å; I661-F825 HydrophobicContact CD1-CE2 4.37Å; I661-F825 HydrophobicContact CD1-CG 4.49Å; I661-F825 HydrophobicContact CD1-CZ 3.8Å; I661-F825 HydrophobicContact CG2-CD1 4.42Å; I661-F825 HydrophobicContact CG2-CD2 3.48Å; I661-F825 VanDerWaalsContact CG2-CD2 3.48Å; I661-F825 HydrophobicContact CG2-CE1 4.49Å; I661-F825 HydrophobicContact CG2-CE2 3.55Å; I661-F825 HydrophobicContact CG2-CG 3.94Å; I661-F825 HydrophobicContact CG2-CZ 4.08Å; I661-M933 HydrophobicContact CD1-CG 3.72Å; I661-M933 HydrophobicContact CD1-SD 4.29Å; I661-M933 HydrophobicContact CG1-CG 4.48Å; I661-A938 HydrophobicContact CD1-CB 3.84Å; I661-A938 HydrophobicContact CG1-CB 3.43Å; I661-A938 VanDerWaalsContact CG1-CB 3.43Å |
| 662 | A | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D658 V660 V664 K665 L666 A816 F819 L820 | D658-A662 VanDerWaalsContact O-CB 3.24Å; D658-A662 WeakPolarHBondContact O-CB 3.44Å; D658-A662 PolarHBondContact O-N 3Å; V660-A662 VanDerWaalsContact C-N 3.33Å; V660-A662 PolarHBondContact O-N 3.42Å; A662-V664 PolarHBondContact O-N 3.24Å; A662-K665 PolarHBondContact O-N 3.38Å; A662-L666 WeakPolarHBondContact O-CB 3.22Å; A662-L666 PolarHBondContact O-N 3.13Å; A662-A816 HydrophobicContact CB-CB 3.72Å; A662-F819 HydrophobicContact CB-CD1 4.2Å; A662-F819 WeakPolarHBondContact O-CE1 3.17Å; A662-L820 HydrophobicContact CB-CD1 4.11Å; A662-L820 HydrophobicContact CB-CD2 3.98Å; A662-L820 HydrophobicContact CB-CG 3.77Å |
| 663 | A | 92.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H659 V660 L666 T667 L780 I785 | H659-A663 VanDerWaalsContact O-CB 3.3Å; H659-A663 WeakPolarHBondContact O-CB 3.47Å; H659-A663 PolarHBondContact O-N 3.35Å; V660-A663 PolarHBondContact O-N 3.28Å; A663-L666 PolarHBondContact O-N 3.23Å; A663-T667 WeakPolarHBondContact O-CB 3.48Å; A663-T667 WeakPolarHBondContact O-CG2 3.41Å; A663-T667 PolarHBondContact O-N 3.19Å; A663-T667 PolarHBondContact O-OG1 3.4Å; A663-L780 HydrophobicContact CB-CB 4.03Å; A663-I785 HydrophobicContact CB-CD1 3.53Å |
| 664 | V | 90.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -54.4 | 172.7 | 160.7 | 0 | 0 | 0 | 0 | 110.5 | V660 I661 A662 L666 T667 M668 M779 L780 D781 L932 V936 | V660-V664 WeakPolarHBondContact O-CG2 3.4Å; V660-V664 PolarHBondContact O-N 2.8Å; I661-V664 PolarHBondContact O-N 3.26Å; A662-V664 PolarHBondContact O-N 3.24Å; V664-L666 PolarHBondContact O-N 3.47Å; V664-T667 PolarHBondContact O-N 3.07Å; V664-T667 VanDerWaalsContact O-N 3.07Å; V664-T667 PolarHBondContact O-OG1 2.84Å; V664-M668 HydrophobicContact CG1-CE 3.9Å; V664-M668 WeakPolarHBondContact O-CG 3.46Å; V664-M668 PolarHBondContact O-N 2.79Å; V664-M779 HydrophobicContact CB-CE 4.1Å; V664-M779 HydrophobicContact CG1-CE 3.24Å; V664-M779 WeakPolarHBondContact O-CE 3.19Å; V664-L780 WeakPolarHBondContact CG2-O 3.41Å; V664-L780 PolarHBondContact N-O 3.03Å; V664-D781 HydrophobicContact CG2-CB 4.29Å; V664-L932 HydrophobicContact CG1-CD1 4.05Å; V664-V936 HydrophobicContact CB-CG1 4.35Å; V664-V936 HydrophobicContact CB-CG2 4.42Å; V664-V936 HydrophobicContact CG1-CG2 3.88Å; V664-V936 HydrophobicContact CG2-CB 4.29Å; V664-V936 HydrophobicContact CG2-CG1 3.38Å; V664-V936 HydrophobicContact CG2-CG2 3.89Å |
| 665 | K | 90.4 | Very high | 90.8 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -33.3 | 179.7 | -76.6 | -168.9 | 175.7 | -160.7 | 0 | 113.1 | I661 A662 M668 F819 L932 | I661-K665 HydrophobicContact CG2-CD 4.4Å; I661-K665 WeakPolarHBondContact O-CB 3.34Å; I661-K665 WeakPolarHBondContact O-CG 3.46Å; I661-K665 PolarHBondContact O-N 3.16Å; A662-K665 PolarHBondContact O-N 3.38Å; K665-M668 HydrophobicContact CG-CE 3.95Å; K665-F819 HydrophobicContact CB-CE1 3.85Å; K665-F819 HydrophobicContact CB-CZ 4.46Å; K665-L932 HydrophobicContact CG-CD2 4.5Å |
| 666 | L | 91.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 174.9 | -179.9 | 69.2 | 0 | 0 | 0 | 111.1 | A662 A663 V664 F673 G719 I723 L815 F819 | A662-L666 WeakPolarHBondContact O-CB 3.22Å; A662-L666 PolarHBondContact O-N 3.13Å; A663-L666 PolarHBondContact O-N 3.23Å; V664-L666 PolarHBondContact O-N 3.47Å; L666-F673 HydrophobicContact CD1-CE2 3.69Å; L666-F673 HydrophobicContact CD1-CZ 3.52Å; L666-G719 VanDerWaalsContact O-CA 3.32Å; L666-G719 WeakPolarHBondContact O-CA 3.18Å; L666-I723 HydrophobicContact CD2-CD1 4.08Å; L666-I723 HydrophobicContact CD2-CG1 4.34Å; L666-L815 HydrophobicContact CD2-CD2 3.52Å; L666-L815 HydrophobicContact CD2-CG 3.94Å; L666-F819 HydrophobicContact CB-CD1 4.16Å; L666-F819 HydrophobicContact CB-CE1 3.92Å; L666-F819 HydrophobicContact CB-CZ 4.19Å; L666-F819 HydrophobicContact CD1-CD2 3.99Å; L666-F819 HydrophobicContact CD1-CE2 3.97Å; L666-F819 HydrophobicContact CD1-CG 4.31Å; L666-F819 HydrophobicContact CD1-CZ 4.22Å |
| 667 | T | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -90.2 | 0.6 | -174.2 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | A663 V664 K720 I723 L775 M779 L780 | A663-T667 WeakPolarHBondContact O-CB 3.48Å; A663-T667 WeakPolarHBondContact O-CG2 3.41Å; A663-T667 PolarHBondContact O-N 3.19Å; A663-T667 PolarHBondContact O-OG1 3.4Å; V664-T667 PolarHBondContact O-N 3.07Å; V664-T667 VanDerWaalsContact O-N 3.07Å; V664-T667 PolarHBondContact O-OG1 2.84Å; T667-K720 PolarHBondContact O-NZ 2.86Å; T667-I723 HydrophobicContact CG2-CG1 4.1Å; T667-L775 HydrophobicContact CG2-CD2 4.36Å; T667-M779 WeakPolarHBondContact OG1-CA 3.48Å; T667-L780 HydrophobicContact CG2-CB 4.26Å; T667-L780 HydrophobicContact CG2-CD1 4Å; T667-L780 HydrophobicContact CG2-CG 3.96Å; T667-L780 PolarHBondContact OG1-N 3.4Å |
| 668 | M | 86.4 | Confident | 91 | Very high | 42 Ų | 42 | 48.3 Ų | 48.3 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -54.5 | 141.8 | 169 | -74.1 | -177.3 | -173.8 | 0 | 0 | 111.2 | V664 K665 D670 R671 W752 M779 L932 | V664-M668 HydrophobicContact CG1-CE 3.9Å; V664-M668 WeakPolarHBondContact O-CG 3.46Å; V664-M668 PolarHBondContact O-N 2.79Å; K665-M668 HydrophobicContact CG-CE 3.95Å; M668-D670 VanDerWaalsContact C-N 3.28Å; M668-D670 PolarHBondContact O-N 3.37Å; M668-R671 PolarHBondContact O-N 2.82Å; M668-W752 HydrophobicContact CE-CH2 3.83Å; M668-W752 HydrophobicContact CG-CH2 4.49Å; M668-M779 HydrophobicContact CE-CE 4.1Å; M668-M779 HydrophobicContact CG-CE 3.48Å; M668-M779 VanDerWaalsContact CG-CE 3.48Å; M668-M779 HydrophobicContact CG-SD 4.47Å; M668-L932 HydrophobicContact CE-CD1 4.2Å; M668-L932 HydrophobicContact CE-CD2 4.44Å |
| 669 | R | 82.2 | Confident | 91 | Very high | 173 Ų | 173 | 47.6 Ų | 47.6 | 65% | 0.653 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.1 | -176.6 | -175.2 | 175.5 | 176.2 | 170.6 | -1.7 | 113.5 | R671 | R669-R671 PolarHBondContact O-N 3.45Š|
| 670 | D | 82.7 | Confident | 90.9 | Very high | 141 Ų | 141 | 49 Ų | 49 | 75% | 0.754 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 7.1 | -175.7 | -59.5 | -30.8 | 0 | 0 | 0 | 113.8 | M668 | M668-D670 VanDerWaalsContact C-N 3.28Å; M668-D670 PolarHBondContact O-N 3.37Å |
| 671 | R | 88.7 | Confident | 90.9 | Very high | 103 Ų | 103 | 49 Ų | 49 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | trans | -96.2 | 111.8 | -177.6 | -163.1 | 70.2 | -99.7 | 178.5 | -3.5 | 111.8 | M668 R669 F673 G719 | M668-R671 PolarHBondContact O-N 2.82Å; R669-R671 PolarHBondContact O-N 3.45Å; R671-F673 HydrophobicContact CG-CE2 3.84Å; R671-F673 HydrophobicContact CG-CZ 3.71Å; R671-G719 PolarHBondContact O-N 2.49Å | ||
| 672 | F | 92.7 | Very high | 90.9 | Very high | 73 Ų | 73 | 49 Ų | 49 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 150.6 | 176 | -60.5 | -82.1 | 0 | 0 | 0 | 112.2 | I710 L716 W717 T718 | F672-I710 HydrophobicContact CD1-CD1 3.95Å; F672-I710 HydrophobicContact CE1-CD1 3.41Å; F672-I710 VanDerWaalsContact CE1-CD1 3.41Å; F672-I710 HydrophobicContact CE1-CG1 4.21Å; F672-I710 HydrophobicContact CZ-CD1 3.85Å; F672-L716 HydrophobicContact CB-CB 4.21Å; F672-L716 HydrophobicContact CB-CD1 4.16Å; F672-L716 HydrophobicContact CD1-CB 4.14Å; F672-L716 HydrophobicContact CG-CD1 4.36Å; F672-W717 CarbonylContact C-O 3.35Å; F672-W717 WeakPolarHBondContact CA-O 3.4Å; F672-T718 HydrophobicContact CD1-CG2 4.05Å; F672-T718 HydrophobicContact CE1-CG2 3.78Å |
| 673 | F | 93.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 7% | 0.066 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.8 | 179.7 | -62.3 | -77.4 | 0 | 0 | 0 | 110.7 | L666 R671 D677 L681 L716 W717 V722 F819 | L666-F673 HydrophobicContact CD1-CE2 3.69Å; L666-F673 HydrophobicContact CD1-CZ 3.52Å; R671-F673 HydrophobicContact CG-CE2 3.84Å; R671-F673 HydrophobicContact CG-CZ 3.71Å; F673-D677 HydrophobicContact CB-CB 4.17Å; F673-D677 HydrophobicContact CD1-CB 4.1Å; F673-L681 HydrophobicContact CD1-CD1 3.91Å; F673-L681 HydrophobicContact CE1-CD1 3.73Å; F673-L681 HydrophobicContact CE2-CD1 4.44Å; F673-L681 HydrophobicContact CG-CD1 4.34Å; F673-L681 HydrophobicContact CZ-CD1 4.02Å; F673-L716 WeakPolarHBondContact O-CA 3.19Å; F673-W717 PolarHBondContact N-O 2.81Å; F673-W717 PolarHBondContact O-N 2.8Å; F673-V722 HydrophobicContact CD2-CG2 4.41Å; F673-F819 HydrophobicContact CE1-CD2 4.3Å; F673-F819 AromaticContact CE1-CE2 3.84Å; F673-F819 HydrophobicContact CE1-CE2 3.84Å; F673-F819 HydrophobicContact CZ-CD2 4.18Å; F673-F819 AromaticContact CZ-CE2 3.57Å; F673-F819 HydrophobicContact CZ-CE2 3.57Å; F673-F819 HydrophobicContact CZ-CZ 4.38Å |
| 674 | E | 93.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | trans | -73.6 | 165.9 | 167.9 | -63.5 | -164.1 | 162.8 | 0 | 0 | 110.1 | A676 D677 Y678 K714 L716 | E674-A676 VanDerWaalsContact C-N 3.28Å; E674-A676 PolarHBondContact O-N 3.36Å; E674-D677 PolarHBondContact O-N 2.76Å; E674-Y678 PolarHBondContact O-N 3.02Å; E674-K714 IonicContact OE1-NZ 2.66Å; E674-K714 PolarHBondContact OE1-NZ 3.25Å; E674-L716 HydrophobicContact CG-CD2 4.16Å | ||
| 675 | H | 92.7 | Very high | 90.3 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.1 | -40.5 | -175.6 | -177.4 | -114.9 | 0 | 0 | 0 | 113.3 | Y678 L679 W717 | H675-Y678 PolarHBondContact O-N 2.99Å; H675-L679 WeakPolarHBondContact CE1-CD1 3.32Å; H675-L679 WeakPolarHBondContact O-CG 3.37Å; H675-L679 PolarHBondContact O-N 3.47Å; H675-W717 HydrophobicContact CB-CE3 4.36Å; H675-W717 HydrophobicContact CB-CH2 3.86Å; H675-W717 HydrophobicContact CB-CZ3 3.54Å; H675-W717 AromaticContact CD2-CH2 3.35Å; H675-W717 WeakPolarHBondContact CD2-CH2 3.47Å; H675-W717 AromaticContact CD2-CZ2 3.73Å; H675-W717 AromaticContact CD2-CZ3 3.88Å; H675-W717 AromaticContact CG-CH2 3.92Å |
| 676 | A | 93.1 | Very high | 90.1 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E674 L679 D680 | E674-A676 VanDerWaalsContact C-N 3.28Å; E674-A676 PolarHBondContact O-N 3.36Å; A676-L679 PolarHBondContact O-N 2.97Å; A676-D680 WeakPolarHBondContact O-CB 3.49Å; A676-D680 PolarHBondContact O-N 3.4Å |
| 677 | D | 93 | Very high | 89.6 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 178.6 | -55.9 | -36.7 | 0 | 0 | 0 | 111.4 | F673 E674 D680 L681 | F673-D677 HydrophobicContact CB-CB 4.17Å; F673-D677 HydrophobicContact CD1-CB 4.1Å; E674-D677 PolarHBondContact O-N 2.76Å; D677-D680 PolarHBondContact O-N 3.17Å; D677-L681 WeakPolarHBondContact O-CB 3.43Å; D677-L681 VanDerWaalsContact O-CG 3.29Å; D677-L681 WeakPolarHBondContact O-CG 3.36Å; D677-L681 PolarHBondContact O-N 3.23Å |
| 678 | Y | 93.6 | Very high | 88.8 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 175 | 165.4 | -102.4 | 0 | 0 | 0 | 111.3 | E674 H675 D680 L681 V682 T705 I706 W717 V722 T725 | E674-Y678 PolarHBondContact O-N 3.02Å; H675-Y678 PolarHBondContact O-N 2.99Å; Y678-D680 PolarHBondContact O-N 3.25Å; Y678-L681 PolarHBondContact O-N 3.18Å; Y678-V682 HydrophobicContact CD2-CG2 4.05Å; Y678-V682 HydrophobicContact CE1-CG2 4.45Å; Y678-V682 HydrophobicContact CE2-CG2 3.66Å; Y678-V682 WeakPolarHBondContact O-CB 3.33Å; Y678-V682 VanDerWaalsContact O-CG2 3.27Å; Y678-V682 WeakPolarHBondContact O-CG2 3.38Å; Y678-V682 PolarHBondContact O-N 3.27Å; Y678-T705 HydrophobicContact CE1-CG2 4.24Å; Y678-I706 PolarHBondContact OH-N 3.43Å; Y678-W717 HydrophobicContact CD1-CD2 4.33Å; Y678-W717 HydrophobicContact CD1-CG 4.32Å; Y678-W717 HydrophobicContact CD2-CB 3.94Å; Y678-W717 AromaticContact CD2-CD1 3.81Å; Y678-W717 AromaticContact CD2-CG 3.87Å; Y678-W717 HydrophobicContact CD2-CG 3.87Å; Y678-W717 AromaticContact CE1-NE1 3.99Å; Y678-W717 AromaticContact CE2-CD1 3.82Å; Y678-W717 HydrophobicContact CE2-CG 4.34Å; Y678-W717 HydrophobicContact CG-CB 4.18Å; Y678-W717 HydrophobicContact CG-CD2 4.2Å; Y678-W717 AromaticContact CG-CG 3.87Å; Y678-W717 HydrophobicContact CG-CG 3.87Å; Y678-V722 HydrophobicContact CD2-CG2 3.83Å; Y678-V722 HydrophobicContact CE2-CG2 4.33Å; Y678-T725 WeakPolarHBondContact OH-CG2 3.34Å; Y678-T725 PolarHBondContact OH-OG1 3.15Å |
| 679 | L | 92.4 | Very high | 88.2 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 179.1 | -71.7 | -179.2 | 0 | 0 | 0 | 112.3 | H675 A676 V682 Y683 T705 | H675-L679 WeakPolarHBondContact CE1-CD1 3.32Å; H675-L679 WeakPolarHBondContact O-CG 3.37Å; H675-L679 PolarHBondContact O-N 3.47Å; A676-L679 PolarHBondContact O-N 2.97Å; L679-V682 PolarHBondContact O-N 3.38Å; L679-Y683 WeakPolarHBondContact O-CB 3.48Å; L679-Y683 PolarHBondContact O-N 2.92Å; L679-T705 HydrophobicContact CD2-CG2 4.28Å |
| 680 | D | 92.1 | Very high | 87.8 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 176.8 | -175.3 | 54.1 | 0 | 0 | 0 | 111.4 | A676 D677 Y678 Y683 H684 R818 | A676-D680 WeakPolarHBondContact O-CB 3.49Å; A676-D680 PolarHBondContact O-N 3.4Å; D677-D680 PolarHBondContact O-N 3.17Å; Y678-D680 PolarHBondContact O-N 3.25Å; D680-Y683 PolarHBondContact O-N 3.17Å; D680-H684 PolarHBondContact O-N 3.23Å; D680-H684 VanDerWaalsContact O-N 3.12Å; D680-H684 PolarHBondContact O-ND1 3.13Å; D680-H684 IonicContact OD1-CE1 3.88Å; D680-H684 PolarHBondContact OD1-CE1 3.37Å; D680-H684 IonicContact OD1-ND1 3.72Å; D680-H684 PolarHBondContact OD1-ND1 3.19Å; D680-R818 IonicContact OD1-NE 3.74Å; D680-R818 IonicContact OD1-NH2 2.8Å; D680-R818 PolarHBondContact OD1-NH2 3.1Å; D680-R818 IonicContact OD2-CZ 2.83Å; D680-R818 IonicContact OD2-NE 2.8Å; D680-R818 PolarHBondContact OD2-NE 3.39Å; D680-R818 IonicContact OD2-NH2 2.74Å; D680-R818 PolarHBondContact OD2-NH2 3.29Å |
| 681 | L | 92.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 178 | -71.9 | 175.1 | 0 | 0 | 0 | 112.1 | F673 D677 Y678 H684 A685 V722 L815 R818 F819 F822 | F673-L681 HydrophobicContact CD1-CD1 3.91Å; F673-L681 HydrophobicContact CE1-CD1 3.73Å; F673-L681 HydrophobicContact CE2-CD1 4.44Å; F673-L681 HydrophobicContact CG-CD1 4.34Å; F673-L681 HydrophobicContact CZ-CD1 4.02Å; D677-L681 WeakPolarHBondContact O-CB 3.43Å; D677-L681 VanDerWaalsContact O-CG 3.29Å; D677-L681 WeakPolarHBondContact O-CG 3.36Å; D677-L681 PolarHBondContact O-N 3.23Å; Y678-L681 PolarHBondContact O-N 3.18Å; L681-H684 PolarHBondContact O-N 3.24Å; L681-A685 WeakPolarHBondContact O-CB 3.34Å; L681-A685 PolarHBondContact O-N 3.09Å; L681-A685 VanDerWaalsContact O-N 3.11Å; L681-V722 HydrophobicContact CB-CG1 4.18Å; L681-V722 HydrophobicContact CD1-CG2 4.48Å; L681-L815 HydrophobicContact CB-CD1 3.63Å; L681-L815 HydrophobicContact CD2-CD1 3.83Å; L681-L815 HydrophobicContact CG-CD1 4.2Å; L681-R818 HydrophobicContact CD2-CB 4.41Å; L681-R818 HydrophobicContact CD2-CG 3.99Å; L681-F819 HydrophobicContact CD2-CB 4.45Å; L681-F822 HydrophobicContact CD2-CD2 4.4Å; L681-F822 HydrophobicContact CD2-CE2 4.05Å |
| 682 | V | 91 | Very high | 86.2 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 179.1 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | Y678 L679 H684 A685 L686 I703 V722 T725 | Y678-V682 HydrophobicContact CD2-CG2 4.05Å; Y678-V682 HydrophobicContact CE1-CG2 4.45Å; Y678-V682 HydrophobicContact CE2-CG2 3.66Å; Y678-V682 WeakPolarHBondContact O-CB 3.33Å; Y678-V682 VanDerWaalsContact O-CG2 3.27Å; Y678-V682 WeakPolarHBondContact O-CG2 3.38Å; Y678-V682 PolarHBondContact O-N 3.27Å; L679-V682 PolarHBondContact O-N 3.38Å; V682-H684 VanDerWaalsContact C-N 3.34Å; V682-H684 PolarHBondContact O-N 3.42Å; V682-A685 PolarHBondContact O-N 3.34Å; V682-L686 HydrophobicContact CG1-CD1 3.65Å; V682-L686 HydrophobicContact CG1-CG 4.32Å; V682-L686 WeakPolarHBondContact O-CG 3.46Å; V682-L686 PolarHBondContact O-N 3.1Å; V682-I703 HydrophobicContact CG1-CG2 4.31Å; V682-V722 HydrophobicContact CG2-CG1 4.18Å; V682-T725 HydrophobicContact CG1-CG2 3.79Å; V682-T725 HydrophobicContact CG2-CG2 3.94Å |
| 683 | Y | 89.1 | Confident | 84.7 | Confident | 137 Ų | 137 | 53.1 Ų | 53.1 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 179.6 | -179.3 | -97.6 | 0 | 0 | 0 | 111.9 | L679 D680 L686 R687 F690 | L679-Y683 WeakPolarHBondContact O-CB 3.48Å; L679-Y683 PolarHBondContact O-N 2.92Å; D680-Y683 PolarHBondContact O-N 3.17Å; Y683-L686 PolarHBondContact O-N 2.93Å; Y683-R687 PolarHBondContact O-N 2.96Å; Y683-F690 AromaticContact CD2-CE2 3.51Å; Y683-F690 HydrophobicContact CD2-CE2 3.51Å; Y683-F690 HydrophobicContact CD2-CZ 4.03Å; Y683-F690 HydrophobicContact CE2-CD2 4.04Å; Y683-F690 AromaticContact CE2-CE2 3.41Å; Y683-F690 HydrophobicContact CE2-CE2 3.41Å; Y683-F690 VanDerWaalsContact CE2-CE2 3.41Å; Y683-F690 HydrophobicContact CE2-CZ 4.19Å; Y683-F690 HydrophobicContact CG-CE2 4.29Å |
| 684 | H | 86.9 | Confident | 83.2 | Confident | 58 Ų | 58 | 57 Ų | 57 | 27% | 0.269 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.4 | -77.5 | 84.4 | 0 | 0 | 0 | 112.2 | D680 L681 V682 L686 R818 | D680-H684 PolarHBondContact O-N 3.23Å; D680-H684 VanDerWaalsContact O-N 3.12Å; D680-H684 PolarHBondContact O-ND1 3.13Å; D680-H684 IonicContact OD1-CE1 3.88Å; D680-H684 PolarHBondContact OD1-CE1 3.37Å; D680-H684 IonicContact OD1-ND1 3.72Å; D680-H684 PolarHBondContact OD1-ND1 3.19Å; L681-H684 PolarHBondContact O-N 3.24Å; V682-H684 VanDerWaalsContact C-N 3.34Å; V682-H684 PolarHBondContact O-N 3.42Å; H684-L686 PolarHBondContact O-N 3.47Å; H684-R818 HydrophobicContact CB-CG 4.49Å |
| 685 | A | 87.5 | Confident | 81.5 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L681 V682 L726 G811 L815 | L681-A685 WeakPolarHBondContact O-CB 3.34Å; L681-A685 PolarHBondContact O-N 3.09Å; L681-A685 VanDerWaalsContact O-N 3.11Å; V682-A685 PolarHBondContact O-N 3.34Å; A685-L726 HydrophobicContact CB-CD1 3.96Å; A685-L726 HydrophobicContact CB-CD2 4.46Å; A685-G811 WeakPolarHBondContact O-CA 3.42Å; A685-L815 HydrophobicContact CB-CB 4.14Å |
| 686 | L | 86.4 | Confident | 80 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -91.3 | -0.2 | -177.1 | -61.8 | 175.9 | 0 | 0 | 0 | 114.3 | V682 Y683 H684 P688 L689 F690 I703 L726 N729 | V682-L686 HydrophobicContact CG1-CD1 3.65Å; V682-L686 HydrophobicContact CG1-CG 4.32Å; V682-L686 WeakPolarHBondContact O-CG 3.46Å; V682-L686 PolarHBondContact O-N 3.1Å; Y683-L686 PolarHBondContact O-N 2.93Å; H684-L686 PolarHBondContact O-N 3.47Å; L686-P688 VanDerWaalsContact C-N 3.31Å; L686-P688 VanDerWaalsContact O-N 3.17Å; L686-L689 HydrophobicContact CD2-CD1 3.75Å; L686-L689 WeakPolarHBondContact O-CB 3.21Å; L686-L689 PolarHBondContact O-N 3.33Å; L686-F690 HydrophobicContact CB-CE1 4.2Å; L686-F690 HydrophobicContact CB-CE2 4.35Å; L686-F690 HydrophobicContact CB-CZ 3.85Å; L686-F690 PolarHBondContact O-N 3.32Å; L686-I703 HydrophobicContact CD1-CG1 4.41Å; L686-I703 HydrophobicContact CD1-CG2 3.74Å; L686-L726 HydrophobicContact CD2-CD1 3.62Å; L686-L726 HydrophobicContact CG-CD1 4.46Å; L686-N729 HydrophobicContact CD1-CB 4.05Å; L686-N729 HydrophobicContact CD2-CB 3.71Å |
| 687 | R | 81.9 | Confident | 78.3 | Confident | 163 Ų | 163 | 61 Ų | 61 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -48.3 | -41.7 | 178.9 | -176.9 | -178.8 | 177.8 | 178.9 | 0.8 | 114.6 | Y683 L689 F690 A691 | Y683-R687 PolarHBondContact O-N 2.96Å; R687-L689 VanDerWaalsContact C-N 3.32Å; R687-L689 PolarHBondContact O-N 2.88Å; R687-F690 WeakPolarHBondContact O-CB 3.02Å; R687-F690 PolarHBondContact O-N 3.35Å; R687-A691 PolarHBondContact O-N 3.4Å |
| 688 | P | 73.9 | Confident | 76.4 | Confident | 27 Ų | 27 | 65 Ų | 65 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 178.8 | -23.6 | 35.2 | 0 | 0 | 0 | 113.2 | L686 F690 A691 I692 N810 L814 | L686-P688 VanDerWaalsContact C-N 3.31Å; L686-P688 VanDerWaalsContact O-N 3.17Å; P688-F690 VanDerWaalsContact C-N 3.29Å; P688-F690 PolarHBondContact O-N 3.18Å; P688-A691 PolarHBondContact O-N 3.24Å; P688-I692 WeakPolarHBondContact O-CG1 3.42Å; P688-I692 PolarHBondContact O-N 3.31Å; P688-N810 VanDerWaalsContact CG-ND2 3.29Å; P688-N810 WeakPolarHBondContact CG-ND2 3.35Å; P688-L814 HydrophobicContact CG-CD1 3.97Å |
| 689 | L | 74.8 | Confident | 74.8 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -32.3 | 178.1 | -69.6 | 172.5 | 0 | 0 | 0 | 112.2 | L686 R687 A691 I692 N693 L730 | L686-L689 HydrophobicContact CD2-CD1 3.75Å; L686-L689 WeakPolarHBondContact O-CB 3.21Å; L686-L689 PolarHBondContact O-N 3.33Å; R687-L689 VanDerWaalsContact C-N 3.32Å; R687-L689 PolarHBondContact O-N 2.88Å; L689-A691 VanDerWaalsContact C-N 3.31Å; L689-A691 PolarHBondContact O-N 3.46Å; L689-I692 PolarHBondContact O-N 2.95Å; L689-N693 WeakPolarHBondContact O-CB 3.18Å; L689-N693 PolarHBondContact O-N 2.87Å; L689-N693 PolarHBondContact O-ND2 3.07Å; L689-L730 HydrophobicContact CD1-CD2 3.81Å; L689-L730 HydrophobicContact CD1-CG 4.4Å; L689-L730 HydrophobicContact CD2-CD2 4.19Å; L689-L730 HydrophobicContact CG-CD2 4.12Å |
| 690 | F | 73.8 | Confident | 73.1 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 175.8 | -55.7 | -26.6 | 0 | 0 | 0 | 111.7 | Y683 L686 R687 P688 S694 P701 I703 | Y683-F690 AromaticContact CD2-CE2 3.51Å; Y683-F690 HydrophobicContact CD2-CE2 3.51Å; Y683-F690 HydrophobicContact CD2-CZ 4.03Å; Y683-F690 HydrophobicContact CE2-CD2 4.04Å; Y683-F690 AromaticContact CE2-CE2 3.41Å; Y683-F690 HydrophobicContact CE2-CE2 3.41Å; Y683-F690 VanDerWaalsContact CE2-CE2 3.41Å; Y683-F690 HydrophobicContact CE2-CZ 4.19Å; Y683-F690 HydrophobicContact CG-CE2 4.29Å; L686-F690 HydrophobicContact CB-CE1 4.2Å; L686-F690 HydrophobicContact CB-CE2 4.35Å; L686-F690 HydrophobicContact CB-CZ 3.85Å; L686-F690 PolarHBondContact O-N 3.32Å; R687-F690 WeakPolarHBondContact O-CB 3.02Å; R687-F690 PolarHBondContact O-N 3.35Å; P688-F690 VanDerWaalsContact C-N 3.29Å; P688-F690 PolarHBondContact O-N 3.18Å; F690-S694 WeakPolarHBondContact O-CB 3.43Å; F690-S694 PolarHBondContact O-N 3.06Å; F690-P701 HydrophobicContact CD1-CG 3.29Å; F690-P701 HydrophobicContact CE1-CG 3.72Å; F690-P701 HydrophobicContact CG-CG 4.37Å; F690-I703 HydrophobicContact CE1-CD1 3.89Å; F690-I703 HydrophobicContact CE1-CG1 3.99Å; F690-I703 HydrophobicContact CZ-CD1 3.55Å; F690-I703 HydrophobicContact CZ-CG1 4.14Å |
| 691 | A | 68.7 | Low | 71.8 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R687 P688 L689 | R687-A691 PolarHBondContact O-N 3.4Å; P688-A691 PolarHBondContact O-N 3.24Å; L689-A691 VanDerWaalsContact C-N 3.31Å; L689-A691 PolarHBondContact O-N 3.46Å |
| 692 | I | 67.7 | Low | 70.9 | Confident | 84 Ų | 84 | 74.8 Ų | 74.8 | 43% | 0.431 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 177.7 | -63.1 | 167.4 | 0 | 0 | 0 | 110.3 | P688 L689 S694 Q695 | P688-I692 WeakPolarHBondContact O-CG1 3.42Å; P688-I692 PolarHBondContact O-N 3.31Å; L689-I692 PolarHBondContact O-N 2.95Å; I692-S694 VanDerWaalsContact C-N 3.28Å; I692-S694 PolarHBondContact O-N 2.78Å; I692-Q695 WeakPolarHBondContact O-CB 3.45Å; I692-Q695 PolarHBondContact O-N 2.94Å; I692-Q695 VanDerWaalsContact O-N 3.08Å |
| 693 | N | 62.4 | Low | 70.4 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.3 | -28.5 | -178.3 | -75 | -29.9 | 0 | 0 | 0 | 113.1 | L689 Q695 T696 S697 P701 | L689-N693 WeakPolarHBondContact O-CB 3.18Å; L689-N693 PolarHBondContact O-N 2.87Å; L689-N693 PolarHBondContact O-ND2 3.07Å; N693-Q695 PolarHBondContact O-N 2.92Å; N693-T696 PolarHBondContact O-N 3.11Å; N693-T696 PolarHBondContact O-OG1 3.07Å; N693-S697 PolarHBondContact O-N 3.42Å; N693-P701 HydrophobicContact CB-CB 4.34Å; N693-P701 HydrophobicContact CB-CG 4.31Å; N693-P701 WeakPolarHBondContact ND2-CB 3.41Å |
| 694 | S | 60.5 | Low | 70.3 | Confident | 96 Ų | 96 | 75.8 Ų | 75.8 | 67% | 0.671 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.5 | -17.9 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | F690 I692 | F690-S694 WeakPolarHBondContact O-CB 3.43Å; F690-S694 PolarHBondContact O-N 3.06Å; I692-S694 VanDerWaalsContact C-N 3.28Å; I692-S694 PolarHBondContact O-N 2.78Å |
| 695 | Q | 58.8 | Low | 70.4 | Confident | 174 Ų | 174 | 76.9 Ų | 76.9 | 81% | 0.813 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -88.9 | -29.6 | 176 | -63.6 | -178.2 | 0.8 | 0 | 0 | 112.5 | I692 N693 | I692-Q695 WeakPolarHBondContact O-CB 3.45Å; I692-Q695 PolarHBondContact O-N 2.94Å; I692-Q695 VanDerWaalsContact O-N 3.08Å; N693-Q695 PolarHBondContact O-N 2.92Å |
| 696 | T | 60.6 | Low | 70.5 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -100.7 | -26.4 | -173.6 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | N693 | N693-T696 PolarHBondContact O-N 3.11Å; N693-T696 PolarHBondContact O-OG1 3.07Å |
| 697 | S | 57.7 | Low | 70.8 | Confident | 65 Ų | 65 | 86.7 Ų | 86.7 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | trans | -134.8 | 141.5 | -168.6 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | N693 G699 | N693-S697 PolarHBondContact O-N 3.42Å; S697-G699 PolarHBondContact O-N 2.76Å | ||
| 698 | S | 52.9 | Low | 71.4 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 100% | 1 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -81.3 | 15.4 | -176.4 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 699 | G | 59.5 | Low | 72.2 | Confident | 38 Ų | 38 | 81.4 Ų | 81.4 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -147.2 | 162.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S697 | S697-G699 PolarHBondContact O-N 2.76Š|
| 700 | P | 56.8 | Low | 73.1 | Confident | 125 Ų | 125 | 82.3 Ų | 82.3 | 81% | 0.812 | 50% | 0.496 | S | S | * | . | trans | -65 | 138.9 | 177.2 | 28.1 | -33.5 | 0 | 0 | 0 | 110.1 | ||||
| 701 | P | 65.1 | Low | 73.9 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 29% | 0.286 | 52% | 0.516 | S | S | . | . | trans | -69.4 | 141.5 | -179.2 | 24.7 | -29.6 | 0 | 0 | 0 | 111.9 | F690 N693 I703 | F690-P701 HydrophobicContact CD1-CG 3.29Å; F690-P701 HydrophobicContact CE1-CG 3.72Å; F690-P701 HydrophobicContact CG-CG 4.37Å; N693-P701 HydrophobicContact CB-CB 4.34Å; N693-P701 HydrophobicContact CB-CG 4.31Å; N693-P701 WeakPolarHBondContact ND2-CB 3.41Å; P701-I703 PolarHBondContact O-N 3.28Å | ||
| 702 | S | 72.9 | Confident | 74.8 | Confident | 112 Ų | 112 | 92.1 Ų | 92.1 | 78% | 0.783 | 53% | 0.531 | S | S | * | . | trans | -72.7 | 110.1 | 175.3 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 703 | I | 81.6 | Confident | 75.9 | Confident | 66 Ų | 66 | 93.2 Ų | 93.2 | 34% | 0.338 | 54% | 0.544 | S | S | . | . | trans | -82.4 | 128.1 | 176.3 | -55.9 | 168.3 | 0 | 0 | 0 | 109.1 | V682 L686 F690 P701 T705 | V682-I703 HydrophobicContact CG1-CG2 4.31Å; L686-I703 HydrophobicContact CD1-CG1 4.41Å; L686-I703 HydrophobicContact CD1-CG2 3.74Å; F690-I703 HydrophobicContact CE1-CD1 3.89Å; F690-I703 HydrophobicContact CE1-CG1 3.99Å; F690-I703 HydrophobicContact CZ-CD1 3.55Å; F690-I703 HydrophobicContact CZ-CG1 4.14Å; P701-I703 PolarHBondContact O-N 3.28Å; I703-T705 HydrophobicContact CG2-CG2 4.29Å | ||
| 704 | I | 86.2 | Confident | 77.2 | Confident | 96 Ų | 96 | 96.6 Ų | 96.6 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | trans | -87.5 | 113 | 173.6 | -57.4 | 172.6 | 0 | 0 | 0 | 108.3 | T725 I728 N729 | I704-T725 WeakPolarHBondContact O-CG2 3.25Å; I704-I728 HydrophobicContact CB-CG2 4.21Å; I704-I728 HydrophobicContact CD1-CG2 4.12Å; I704-I728 HydrophobicContact CG2-CG2 4.01Å; I704-N729 PolarHBondContact N-OD1 3.47Å; I704-N729 PolarHBondContact O-ND2 3.11Å | ||
| 705 | T | 88.5 | Confident | 78.7 | Confident | 81 Ų | 81 | 95.2 Ų | 95.2 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 152.9 | 175.6 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | Y678 L679 I703 | Y678-T705 HydrophobicContact CE1-CG2 4.24Å; L679-T705 HydrophobicContact CD2-CG2 4.28Å; I703-T705 HydrophobicContact CG2-CG2 4.29Å |
| 706 | I | 90.9 | Very high | 80.4 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 17% | 0.174 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 149.2 | -179.2 | -54.1 | 175.4 | 0 | 0 | 0 | 110.4 | Y678 W717 S724 I728 Y774 | Y678-I706 PolarHBondContact OH-N 3.43Å; I706-W717 PolarHBondContact O-NE1 2.96Å; I706-S724 VanDerWaalsContact CD1-CB 3.4Å; I706-I728 HydrophobicContact CD1-CD1 3.92Å; I706-I728 HydrophobicContact CG1-CD1 4.31Å; I706-Y774 HydrophobicContact CD1-CD2 4.26Å; I706-Y774 HydrophobicContact CG2-CE2 4.31Å |
| 707 | K | 92.4 | Very high | 82 | Confident | 179 Ų | 179 | 84.5 Ų | 84.5 | 78% | 0.778 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 148.8 | 173.3 | -67.2 | -177.1 | -179.2 | 179.4 | 0 | 111.6 | Q721 | K707-Q721 PolarHBondContact O-NE2 3.1Š|
| 708 | P | 93.6 | Very high | 83.7 | Confident | 27 Ų | 27 | 82.6 Ų | 82.6 | 18% | 0.175 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -62 | 146.5 | -180 | 25.2 | -32.6 | 0 | 0 | 0 | 111.8 | C715 L716 W717 | P708-C715 HydrophobicContact CB-CB 4.31Å; P708-C715 HydrophobicContact CG-CB 4.24Å; P708-L716 WeakPolarHBondContact CB-O 3.39Å; P708-W717 HydrophobicContact CB-CD2 3.84Å; P708-W717 HydrophobicContact CB-CE3 4.05Å; P708-W717 HydrophobicContact CB-CG 4.46Å; P708-W717 HydrophobicContact CB-CH2 3.89Å; P708-W717 HydrophobicContact CB-CZ2 3.71Å; P708-W717 HydrophobicContact CB-CZ3 4.05Å; P708-W717 HydrophobicContact CG-CH2 4.08Å; P708-W717 HydrophobicContact CG-CZ2 3.91Å |
| 709 | A | 91.2 | Very high | 85.6 | Confident | 53 Ų | 53 | 75.8 Ų | 75.8 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -71 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L716 T718 | A709-L716 PolarHBondContact N-O 3.03Å; A709-T718 HydrophobicContact CB-CG2 3.82Å |
| 710 | I | 92.5 | Very high | 87.2 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -118.4 | 119.3 | 174.9 | -58.8 | 175.5 | 0 | 0 | 0 | 107 | F672 W712 K714 C715 L716 | F672-I710 HydrophobicContact CD1-CD1 3.95Å; F672-I710 HydrophobicContact CE1-CD1 3.41Å; F672-I710 VanDerWaalsContact CE1-CD1 3.41Å; F672-I710 HydrophobicContact CE1-CG1 4.21Å; F672-I710 HydrophobicContact CZ-CD1 3.85Å; I710-W712 VanDerWaalsContact CG2-O 3.3Å; I710-W712 WeakPolarHBondContact CG2-O 3.39Å; I710-K714 VanDerWaalsContact O-O 3.09Å; I710-C715 CarbonylContact O-C 3.52Å; I710-C715 VanDerWaalsContact O-CA 3.25Å; I710-C715 WeakPolarHBondContact O-CA 3.2Å; I710-L716 HydrophobicContact CB-CB 4.25Å; I710-L716 PolarHBondContact N-O 3.2Å; I710-L716 PolarHBondContact O-N 3.03Å |
| 711 | C | 91.4 | Very high | 88.9 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 59% | 0.588 | 37% | 0.374 | S | S | * | . | trans | -91.6 | -25.6 | 177.9 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 712 | W | 88.1 | Confident | 90.3 | Very high | 220 Ų | 220 | 67.1 Ų | 67.1 | 83% | 0.833 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -143.5 | 136.4 | -174 | -172.6 | 88.8 | 0 | 0 | 0 | 109.8 | I710 | I710-W712 VanDerWaalsContact CG2-O 3.3Å; I710-W712 WeakPolarHBondContact CG2-O 3.39Å |
| 713 | P | 90 | Very high | 91.3 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 70% | 0.695 | 32% | 0.324 | S | S | * | . | S | Bend | cis | -78.4 | -20 | 9.8 | 30.8 | -36.5 | 0 | 0 | 0 | 115.5 | ||
| 714 | K | 89.5 | Confident | 91.9 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -126.4 | 148.5 | 172.1 | -74.7 | -175 | 168.4 | -167.5 | 0 | 109.4 | E674 I710 L716 | E674-K714 IonicContact OE1-NZ 2.66Å; E674-K714 PolarHBondContact OE1-NZ 3.25Å; I710-K714 VanDerWaalsContact O-O 3.09Å; K714-L716 HydrophobicContact CB-CD2 4.36Å; K714-L716 HydrophobicContact CB-CG 4.2Å; K714-L716 PolarHBondContact O-N 3.4Å |
| 715 | C | 92.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | trans | -70.7 | 108.4 | 169.4 | -67.9 | 0 | 0 | 0 | 0 | 109.5 | P708 I710 W717 | P708-C715 HydrophobicContact CB-CB 4.31Å; P708-C715 HydrophobicContact CG-CB 4.24Å; I710-C715 CarbonylContact O-C 3.52Å; I710-C715 VanDerWaalsContact O-CA 3.25Å; I710-C715 WeakPolarHBondContact O-CA 3.2Å; C715-W717 HydrophobicContact CB-CH2 4Å; C715-W717 HydrophobicContact CB-CZ3 3.79Å; C715-W717 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 716 | L | 94.7 | Very high | 92.3 | Very high | 37 Ų | 37 | 50.5 Ų | 50.5 | 19% | 0.194 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 136.5 | -179 | -60.8 | 173.4 | 0 | 0 | 0 | 110.9 | F672 F673 E674 P708 A709 I710 K714 | F672-L716 HydrophobicContact CB-CB 4.21Å; F672-L716 HydrophobicContact CB-CD1 4.16Å; F672-L716 HydrophobicContact CD1-CB 4.14Å; F672-L716 HydrophobicContact CG-CD1 4.36Å; F673-L716 WeakPolarHBondContact O-CA 3.19Å; E674-L716 HydrophobicContact CG-CD2 4.16Å; P708-L716 WeakPolarHBondContact CB-O 3.39Å; A709-L716 PolarHBondContact N-O 3.03Å; I710-L716 HydrophobicContact CB-CB 4.25Å; I710-L716 PolarHBondContact N-O 3.2Å; I710-L716 PolarHBondContact O-N 3.03Å; K714-L716 HydrophobicContact CB-CD2 4.36Å; K714-L716 HydrophobicContact CB-CG 4.2Å; K714-L716 PolarHBondContact O-N 3.4Å |
| 717 | W | 94.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 6% | 0.064 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 147.4 | 172.5 | -72.3 | -104.2 | 0 | 0 | 0 | 110 | F672 F673 H675 Y678 I706 P708 C715 | F672-W717 CarbonylContact C-O 3.35Å; F672-W717 WeakPolarHBondContact CA-O 3.4Å; F673-W717 PolarHBondContact N-O 2.81Å; F673-W717 PolarHBondContact O-N 2.8Å; H675-W717 HydrophobicContact CB-CE3 4.36Å; H675-W717 HydrophobicContact CB-CH2 3.86Å; H675-W717 HydrophobicContact CB-CZ3 3.54Å; H675-W717 AromaticContact CD2-CH2 3.35Å; H675-W717 WeakPolarHBondContact CD2-CH2 3.47Å; H675-W717 AromaticContact CD2-CZ2 3.73Å; H675-W717 AromaticContact CD2-CZ3 3.88Å; H675-W717 AromaticContact CG-CH2 3.92Å; Y678-W717 HydrophobicContact CD1-CD2 4.33Å; Y678-W717 HydrophobicContact CD1-CG 4.32Å; Y678-W717 HydrophobicContact CD2-CB 3.94Å; Y678-W717 AromaticContact CD2-CD1 3.81Å; Y678-W717 AromaticContact CD2-CG 3.87Å; Y678-W717 HydrophobicContact CD2-CG 3.87Å; Y678-W717 AromaticContact CE1-NE1 3.99Å; Y678-W717 AromaticContact CE2-CD1 3.82Å; Y678-W717 HydrophobicContact CE2-CG 4.34Å; Y678-W717 HydrophobicContact CG-CB 4.18Å; Y678-W717 HydrophobicContact CG-CD2 4.2Å; Y678-W717 AromaticContact CG-CG 3.87Å; Y678-W717 HydrophobicContact CG-CG 3.87Å; I706-W717 PolarHBondContact O-NE1 2.96Å; P708-W717 HydrophobicContact CB-CD2 3.84Å; P708-W717 HydrophobicContact CB-CE3 4.05Å; P708-W717 HydrophobicContact CB-CG 4.46Å; P708-W717 HydrophobicContact CB-CH2 3.89Å; P708-W717 HydrophobicContact CB-CZ2 3.71Å; P708-W717 HydrophobicContact CB-CZ3 4.05Å; P708-W717 HydrophobicContact CG-CH2 4.08Å; P708-W717 HydrophobicContact CG-CZ2 3.91Å; C715-W717 HydrophobicContact CB-CH2 4Å; C715-W717 HydrophobicContact CB-CZ3 3.79Å; C715-W717 WeakPolarHBondContact O-CZ3 3.37Å |
| 718 | T | 93.9 | Very high | 92.3 | Very high | 25 Ų | 25 | 43 Ų | 43 | 15% | 0.153 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 156.9 | 172.6 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | F672 A709 K720 Q721 V722 | F672-T718 HydrophobicContact CD1-CG2 4.05Å; F672-T718 HydrophobicContact CE1-CG2 3.78Å; A709-T718 HydrophobicContact CB-CG2 3.82Å; T718-K720 PolarHBondContact O-N 3.05Å; T718-Q721 WeakPolarHBondContact O-CB 3.36Å; T718-Q721 PolarHBondContact O-N 2.85Å; T718-Q721 WeakPolarHBondContact OG1-CG 3.48Å; T718-Q721 PolarHBondContact OG1-N 3.09Å; T718-V722 PolarHBondContact O-N 3.24Å |
| 719 | G | 91.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -26.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L666 R671 Q721 V722 I723 | L666-G719 VanDerWaalsContact O-CA 3.32Å; L666-G719 WeakPolarHBondContact O-CA 3.18Å; R671-G719 PolarHBondContact O-N 2.49Å; G719-Q721 VanDerWaalsContact C-N 3.33Å; G719-Q721 PolarHBondContact O-N 3.11Å; G719-V722 WeakPolarHBondContact O-CB 3.5Å; G719-V722 PolarHBondContact O-N 3.24Å; G719-I723 PolarHBondContact O-N 3.47Å |
| 720 | K | 92.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 169.9 | -65.3 | 177.9 | 166.8 | 81.6 | 0 | 111.5 | T667 T718 V722 I723 S724 D765 L775 G778 | T667-K720 PolarHBondContact O-NZ 2.86Å; T718-K720 PolarHBondContact O-N 3.05Å; K720-V722 VanDerWaalsContact C-N 3.32Å; K720-V722 PolarHBondContact O-N 3.39Å; K720-I723 PolarHBondContact O-N 3.46Å; K720-S724 PolarHBondContact O-N 3.28Å; K720-S724 PolarHBondContact O-OG 3.06Å; K720-D765 IonicContact NZ-OD1 3.61Å; K720-D765 PolarHBondContact NZ-OD1 2.93Å; K720-L775 HydrophobicContact CB-CD2 4.13Å; K720-L775 HydrophobicContact CB-CG 4.24Å; K720-L775 HydrophobicContact CG-CD2 4.1Å; K720-L775 HydrophobicContact CG-CG 4.35Å; K720-G778 WeakPolarHBondContact CE-O 3.37Å |
| 721 | Q | 93.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.8 | -30 | 175.1 | -72.4 | 178.6 | -44.6 | 0 | 0 | 113.4 | K707 T718 G719 S724 T725 Y774 | K707-Q721 PolarHBondContact O-NE2 3.1Å; T718-Q721 WeakPolarHBondContact O-CB 3.36Å; T718-Q721 PolarHBondContact O-N 2.85Å; T718-Q721 WeakPolarHBondContact OG1-CG 3.48Å; T718-Q721 PolarHBondContact OG1-N 3.09Å; G719-Q721 VanDerWaalsContact C-N 3.33Å; G719-Q721 PolarHBondContact O-N 3.11Å; Q721-S724 PolarHBondContact O-N 3.12Å; Q721-T725 WeakPolarHBondContact O-CB 3.29Å; Q721-T725 PolarHBondContact O-N 3.11Å; Q721-T725 PolarHBondContact O-OG1 2.84Å; Q721-Y774 HydrophobicContact CG-CE2 4.15Å |
| 722 | V | 93.8 | Very high | 91 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | F673 Y678 L681 V682 T718 G719 K720 T725 L726 L815 | F673-V722 HydrophobicContact CD2-CG2 4.41Å; Y678-V722 HydrophobicContact CD2-CG2 3.83Å; Y678-V722 HydrophobicContact CE2-CG2 4.33Å; L681-V722 HydrophobicContact CB-CG1 4.18Å; L681-V722 HydrophobicContact CD1-CG2 4.48Å; V682-V722 HydrophobicContact CG2-CG1 4.18Å; T718-V722 PolarHBondContact O-N 3.24Å; G719-V722 WeakPolarHBondContact O-CB 3.5Å; G719-V722 PolarHBondContact O-N 3.24Å; K720-V722 VanDerWaalsContact C-N 3.32Å; K720-V722 PolarHBondContact O-N 3.39Å; V722-T725 WeakPolarHBondContact O-CB 3.4Å; V722-T725 PolarHBondContact O-N 2.96Å; V722-L726 PolarHBondContact O-N 2.84Å; V722-L815 HydrophobicContact CG1-CD1 3.74Å; V722-L815 HydrophobicContact CG1-CD2 3.95Å |
| 723 | I | 93.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | -61.2 | -62.6 | 0 | 0 | 0 | 111.6 | L666 T667 G719 K720 T725 L726 L727 L775 L780 L815 | L666-I723 HydrophobicContact CD2-CD1 4.08Å; L666-I723 HydrophobicContact CD2-CG1 4.34Å; T667-I723 HydrophobicContact CG2-CG1 4.1Å; G719-I723 PolarHBondContact O-N 3.47Å; K720-I723 PolarHBondContact O-N 3.46Å; I723-T725 PolarHBondContact O-N 3.09Å; I723-L726 WeakPolarHBondContact O-CB 3.5Å; I723-L726 PolarHBondContact O-N 3.24Å; I723-L726 VanDerWaalsContact O-N 3.09Å; I723-L727 HydrophobicContact CG2-CD1 4.19Å; I723-L727 HydrophobicContact CG2-CG 4.4Å; I723-L727 PolarHBondContact O-N 2.76Å; I723-L775 HydrophobicContact CB-CD2 4.25Å; I723-L775 HydrophobicContact CG2-CD2 4.15Å; I723-L780 HydrophobicContact CD1-CD1 3.86Å; I723-L780 HydrophobicContact CG1-CD1 3.86Å; I723-L780 HydrophobicContact CG2-CD1 4.07Å; I723-L815 HydrophobicContact CD1-CD2 3.56Å |
| 724 | S | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.7 | -42 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | I706 K720 Q721 L726 L727 I728 L775 | I706-S724 VanDerWaalsContact CD1-CB 3.4Å; K720-S724 PolarHBondContact O-N 3.28Å; K720-S724 PolarHBondContact O-OG 3.06Å; Q721-S724 PolarHBondContact O-N 3.12Å; S724-L726 VanDerWaalsContact C-N 3.33Å; S724-L726 PolarHBondContact O-N 3.27Å; S724-L727 PolarHBondContact O-N 2.58Å; S724-I728 VanDerWaalsContact O-CG1 3.26Å; S724-I728 WeakPolarHBondContact O-CG1 3.42Å; S724-I728 PolarHBondContact O-N 3.27Å; S724-L775 PolarHBondContact OG-N 3.42Å |
| 725 | T | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 177 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | Y678 V682 I704 Q721 V722 I723 N729 | Y678-T725 WeakPolarHBondContact OH-CG2 3.34Å; Y678-T725 PolarHBondContact OH-OG1 3.15Å; V682-T725 HydrophobicContact CG1-CG2 3.79Å; V682-T725 HydrophobicContact CG2-CG2 3.94Å; I704-T725 WeakPolarHBondContact O-CG2 3.25Å; Q721-T725 WeakPolarHBondContact O-CB 3.29Å; Q721-T725 PolarHBondContact O-N 3.11Å; Q721-T725 PolarHBondContact O-OG1 2.84Å; V722-T725 WeakPolarHBondContact O-CB 3.4Å; V722-T725 PolarHBondContact O-N 2.96Å; I723-T725 PolarHBondContact O-N 3.09Å; T725-N729 PolarHBondContact O-N 2.78Å; T725-N729 VanDerWaalsContact O-N 3.17Å; T725-N729 PolarHBondContact O-ND2 3.12Å |
| 726 | L | 91.6 | Very high | 89.5 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 176.2 | -178.5 | 60.6 | 0 | 0 | 0 | 112 | A685 L686 V722 I723 S724 I728 N729 L730 L808 I812 | A685-L726 HydrophobicContact CB-CD1 3.96Å; A685-L726 HydrophobicContact CB-CD2 4.46Å; L686-L726 HydrophobicContact CD2-CD1 3.62Å; L686-L726 HydrophobicContact CG-CD1 4.46Å; V722-L726 PolarHBondContact O-N 2.84Å; I723-L726 WeakPolarHBondContact O-CB 3.5Å; I723-L726 PolarHBondContact O-N 3.24Å; I723-L726 VanDerWaalsContact O-N 3.09Å; S724-L726 VanDerWaalsContact C-N 3.33Å; S724-L726 PolarHBondContact O-N 3.27Å; L726-I728 PolarHBondContact O-N 2.74Å; L726-N729 PolarHBondContact O-N 3.06Å; L726-L730 HydrophobicContact CD1-CD1 3.62Å; L726-L730 HydrophobicContact CD1-CG 4.08Å; L726-L730 HydrophobicContact CG-CD1 3.69Å; L726-L730 WeakPolarHBondContact O-CB 3.45Å; L726-L730 VanDerWaalsContact O-CG 3.27Å; L726-L730 WeakPolarHBondContact O-CG 3.25Å; L726-L730 PolarHBondContact O-N 3.11Å; L726-L808 HydrophobicContact CD2-CD1 4.04Å; L726-L808 HydrophobicContact CG-CD1 4.22Å; L726-I812 HydrophobicContact CD2-CG1 3.86Å |
| 727 | L | 91.6 | Very high | 89.2 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 179.9 | -70.6 | 172.8 | 0 | 0 | 0 | 112.7 | I723 S724 L730 T731 I770 L808 | I723-L727 HydrophobicContact CG2-CD1 4.19Å; I723-L727 HydrophobicContact CG2-CG 4.4Å; I723-L727 PolarHBondContact O-N 2.76Å; S724-L727 PolarHBondContact O-N 2.58Å; L727-L730 PolarHBondContact O-N 3.32Å; L727-T731 PolarHBondContact O-N 3.33Å; L727-T731 PolarHBondContact O-OG1 3.12Å; L727-I770 HydrophobicContact CD1-CD1 4.04Å; L727-I770 HydrophobicContact CD1-CG2 4.41Å; L727-L808 HydrophobicContact CD2-CD1 3.82Å; L727-L808 HydrophobicContact CD2-CD2 3.97Å |
| 728 | I | 90.9 | Very high | 89.1 | Confident | 42 Ų | 42 | 30 Ų | 30 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.8 | -43.3 | 179.7 | -68.6 | 168 | 0 | 0 | 0 | 110.8 | I704 I706 S724 L726 T731 | I704-I728 HydrophobicContact CB-CG2 4.21Å; I704-I728 HydrophobicContact CD1-CG2 4.12Å; I704-I728 HydrophobicContact CG2-CG2 4.01Å; I706-I728 HydrophobicContact CD1-CD1 3.92Å; I706-I728 HydrophobicContact CG1-CD1 4.31Å; S724-I728 VanDerWaalsContact O-CG1 3.26Å; S724-I728 WeakPolarHBondContact O-CG1 3.42Å; S724-I728 PolarHBondContact O-N 3.27Å; L726-I728 PolarHBondContact O-N 2.74Å; I728-T731 PolarHBondContact O-N 3.18Å |
| 729 | N | 88.7 | Confident | 88.9 | Confident | 29 Ų | 29 | 30.8 Ų | 30.8 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -76.4 | -20.6 | -178.8 | -73.7 | -81.6 | 0 | 0 | 0 | 113.7 | L686 I704 T725 L726 | L686-N729 HydrophobicContact CD1-CB 4.05Å; L686-N729 HydrophobicContact CD2-CB 3.71Å; I704-N729 PolarHBondContact N-OD1 3.47Å; I704-N729 PolarHBondContact O-ND2 3.11Å; T725-N729 PolarHBondContact O-N 2.78Å; T725-N729 VanDerWaalsContact O-N 3.17Å; T725-N729 PolarHBondContact O-ND2 3.12Å; L726-N729 PolarHBondContact O-N 3.06Å |
| 730 | L | 86.5 | Confident | 88.7 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -85.2 | -9.9 | 175 | -74.3 | 169.2 | 0 | 0 | 0 | 113.7 | L689 L726 L727 P732 C807 L808 | L689-L730 HydrophobicContact CD1-CD2 3.81Å; L689-L730 HydrophobicContact CD1-CG 4.4Å; L689-L730 HydrophobicContact CD2-CD2 4.19Å; L689-L730 HydrophobicContact CG-CD2 4.12Å; L726-L730 HydrophobicContact CD1-CD1 3.62Å; L726-L730 HydrophobicContact CD1-CG 4.08Å; L726-L730 HydrophobicContact CG-CD1 3.69Å; L726-L730 WeakPolarHBondContact O-CB 3.45Å; L726-L730 VanDerWaalsContact O-CG 3.27Å; L726-L730 WeakPolarHBondContact O-CG 3.25Å; L726-L730 PolarHBondContact O-N 3.11Å; L727-L730 PolarHBondContact O-N 3.32Å; L730-P732 WeakPolarHBondContact O-CD 3.27Å; L730-C807 HydrophobicContact CD2-CB 3.68Å; L730-L808 HydrophobicContact CD1-CB 3.87Å; L730-L808 HydrophobicContact CD1-CD1 3.59Å; L730-L808 HydrophobicContact CD1-CG 4.35Å |
| 731 | T | 85.2 | Confident | 88.3 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -67.6 | 123.2 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | L727 I728 L735 Y800 | L727-T731 PolarHBondContact O-N 3.33Å; L727-T731 PolarHBondContact O-OG1 3.12Å; I728-T731 PolarHBondContact O-N 3.18Å; T731-L735 HydrophobicContact CG2-CB 4.5Å; T731-Y800 HydrophobicContact CG2-CE1 3.95Å |
| 732 | P | 81.7 | Confident | 87.8 | Confident | 42 Ų | 42 | 34.8 Ų | 34.8 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 146.1 | 179.7 | -25 | 34.7 | 0 | 0 | 0 | 112.5 | L730 G734 L735 Y800 | L730-P732 WeakPolarHBondContact O-CD 3.27Å; P732-G734 PolarHBondContact O-N 3.12Å; P732-L735 HydrophobicContact CB-CD1 4.11Å; P732-L735 HydrophobicContact CG-CD1 4.11Å; P732-L735 PolarHBondContact O-N 2.95Å; P732-L735 VanDerWaalsContact O-N 3.14Å; P732-Y800 HydrophobicContact CG-CD1 4.32Å; P732-Y800 HydrophobicContact CG-CG 4.38Å |
| 733 | T | 78.1 | Confident | 86.8 | Confident | 152 Ų | 152 | 41 Ų | 41 | 93% | 0.933 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 121.2 | 178.8 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 734 | G | 78.3 | Confident | 85.5 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 76% | 0.763 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -8.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P732 | P732-G734 PolarHBondContact O-N 3.12Š|
| 735 | L | 84.3 | Confident | 84.2 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -99.3 | 153.8 | 172.7 | -63.8 | 179.8 | 0 | 0 | 0 | 111.6 | T731 P732 Y800 L1082 I1085 | T731-L735 HydrophobicContact CG2-CB 4.5Å; P732-L735 HydrophobicContact CB-CD1 4.11Å; P732-L735 HydrophobicContact CG-CD1 4.11Å; P732-L735 PolarHBondContact O-N 2.95Å; P732-L735 VanDerWaalsContact O-N 3.14Å; L735-Y800 HydrophobicContact CB-CD1 4.22Å; L735-Y800 HydrophobicContact CB-CE1 3.97Å; L735-Y800 HydrophobicContact CD1-CD1 3.67Å; L735-Y800 HydrophobicContact CD1-CE1 4.28Å; L735-L1082 HydrophobicContact CB-CD1 3.96Å; L735-L1082 HydrophobicContact CD2-CD1 4.27Å; L735-I1085 HydrophobicContact CD2-CB 4.4Å; L735-I1085 HydrophobicContact CD2-CG2 3.66Å |
| 736 | L | 88.3 | Confident | 82.9 | Confident | 78 Ų | 78 | 53.9 Ų | 53.9 | 41% | 0.408 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 149.7 | 178.8 | -65.3 | 169.9 | 0 | 0 | 0 | 111.2 | Y800 N1081 L1082 | L736-Y800 WeakPolarHBondContact O-CE1 3.28Å; L736-Y800 PolarHBondContact O-OH 3.22Å; L736-N1081 HydrophobicContact CD1-CB 3.74Å; L736-L1082 HydrophobicContact CB-CD1 4.25Å; L736-L1082 WeakPolarHBondContact O-CD1 3.23Å |
| 737 | P | 88.4 | Confident | 81.8 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 151 | 171.9 | -24.2 | 35 | 0 | 0 | 0 | 113.2 | D772 Y800 | P737-D772 HydrophobicContact CB-CB 4.39Å; P737-D772 WeakPolarHBondContact CB-O 3.37Å; P737-Y800 VanDerWaalsContact C-OH 3.28Å; P737-Y800 WeakPolarHBondContact CA-OH 3.15Å |
| 738 | L | 90.8 | Very high | 80.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 137 | -173.4 | -173.6 | 71.4 | 0 | 0 | 0 | 112.3 | A740 I770 D772 G773 L792 V796 A799 Y800 F1075 L1082 | L738-A740 HydrophobicContact CD2-CB 4.47Å; L738-I770 WeakPolarHBondContact O-CG2 3.49Å; L738-D772 PolarHBondContact O-N 3.41Å; L738-G773 PolarHBondContact O-N 2.96Å; L738-L792 HydrophobicContact CD2-CD1 4.16Å; L738-V796 HydrophobicContact CD2-CG2 3.89Å; L738-A799 HydrophobicContact CD1-CB 3.8Å; L738-Y800 HydrophobicContact CB-CE2 4.31Å; L738-Y800 PolarHBondContact N-OH 3.1Å; L738-F1075 HydrophobicContact CD1-CE2 3.67Å; L738-F1075 HydrophobicContact CD1-CZ 3.73Å; L738-L1082 HydrophobicContact CD1-CD2 4.48Å |
| 739 | N | 91.1 | Very high | 79.4 | Confident | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 33% | 0.333 | C | S | . | . | trans | -110.2 | 129.1 | 164.1 | -74.4 | -66 | 0 | 0 | 0 | 109.7 | I770 C771 D772 D1078 N1079 | N739-I770 WeakPolarHBondContact CA-O 3.43Å; N739-C771 VanDerWaalsContact OD1-CA 3.3Å; N739-C771 WeakPolarHBondContact OD1-CA 3.36Å; N739-D772 PolarHBondContact ND2-OD1 3.12Å; N739-D772 PolarHBondContact OD1-N 3.47Å; N739-D772 PolarHBondContact OD1-OD1 2.99Å; N739-D1078 HydrophobicContact CB-CB 4.45Å; N739-N1079 PolarHBondContact N-OD1 3.39Å; N739-N1079 PolarHBondContact O-ND2 3.44Å; N739-N1079 PolarHBondContact O-OD1 3.07Å | ||
| 740 | A | 86.7 | Confident | 78.3 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 138 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L738 L742 I770 F1075 | L738-A740 HydrophobicContact CD2-CB 4.47Å; A740-L742 HydrophobicContact CB-CD2 4.44Å; A740-L742 HydrophobicContact CB-CG 4.48Å; A740-I770 HydrophobicContact CB-CB 4.46Å; A740-I770 PolarHBondContact N-O 3.2Å; A740-I770 PolarHBondContact O-N 2.97Å; A740-F1075 HydrophobicContact CB-CD2 4.45Å; A740-F1075 HydrophobicContact CB-CE2 4.36Å |
| 741 | T | 85.6 | Confident | 77.5 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 54% | 0.54 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 104.8 | 170.5 | 49 | 0 | 0 | 0 | 0 | 108.9 | V769 D1078 | T741-V769 HydrophobicContact CG2-CG1 4.3Å; T741-D1078 PolarHBondContact OG1-OD2 2.8Å |
| 742 | L | 81.5 | Confident | 76.7 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.7 | -177.1 | -47.8 | 179.6 | 0 | 0 | 0 | 109.7 | A740 L768 L792 | A740-L742 HydrophobicContact CB-CD2 4.44Å; A740-L742 HydrophobicContact CB-CG 4.48Å; L742-L768 HydrophobicContact CB-CB 4.11Å; L742-L768 HydrophobicContact CD1-CD2 3.92Å; L742-L768 PolarHBondContact N-O 3.24Å; L742-L768 PolarHBondContact O-N 3.42Å; L742-L792 HydrophobicContact CD1-CB 4.1Å |
| 743 | I | 74.5 | Confident | 75.7 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 68% | 0.677 | 36% | 0.356 | S | S | * | . | trans | -78.1 | 125.2 | 179.8 | -58.7 | 169.6 | 0 | 0 | 0 | 108.7 | R745 D767 | I743-R745 PolarHBondContact O-N 3.49Å; I743-D767 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 744 | G | 65.6 | Low | 74.6 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | trans | -70.4 | 113.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V766 D767 | G744-V766 WeakPolarHBondContact CA-O 3.34Å; G744-D767 PolarHBondContact N-OD1 3.08Å | ||
| 745 | R | 65.6 | Low | 73.6 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 54% | 0.536 | 33% | 0.33 | S | S | . | . | trans | -89.1 | -30.1 | -171.9 | -64 | -173.4 | -174.9 | 169.3 | 6.7 | 114.3 | I743 T790 | I743-R745 PolarHBondContact O-N 3.49Å; R745-T790 PolarHBondContact NH2-OG1 2.89Å | ||
| 746 | R | 66.2 | Low | 72 | Confident | 118 Ų | 118 | 62.5 Ų | 62.5 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -95.1 | -43.4 | -167.4 | -73.8 | -165.6 | 172.8 | -141.9 | -4.1 | 113.8 | H935 | R746-H935 WeakPolarHBondContact CB-O 3.38Š|
| 747 | T | 68.5 | Low | 70.3 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -91.7 | 121.1 | -175.9 | -35.4 | 0 | 0 | 0 | 0 | 110.4 | A749 V766 F925 H935 | T747-A749 PolarHBondContact O-N 3.13Å; T747-V766 VanDerWaalsContact O-CG1 3.29Å; T747-V766 WeakPolarHBondContact O-CG1 3.45Å; T747-F925 HydrophobicContact CG2-CZ 4.03Å; T747-H935 HydrophobicContact CG2-CB 4.32Å |
| 748 | K | 69.1 | Low | 68.6 | Low | 134 Ų | 134 | 65.3 Ų | 65.3 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -65.7 | 130.9 | 175.9 | -62.8 | -176.3 | 177.3 | -176.6 | 0 | 109.4 | E750 L751 | K748-E750 PolarHBondContact O-N 2.75Å; K748-E750 VanDerWaalsContact O-N 3.16Å; K748-L751 HydrophobicContact CB-CD1 4.01Å; K748-L751 HydrophobicContact CB-CG 4.32Å; K748-L751 PolarHBondContact O-N 3.31Å; K748-L751 VanDerWaalsContact O-N 3.1Å | ||
| 749 | A | 63 | Low | 66.6 | Low | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.3 | -28.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | T747 L751 W752 S753 V766 | T747-A749 PolarHBondContact O-N 3.13Å; A749-L751 VanDerWaalsContact C-N 3.33Å; A749-L751 PolarHBondContact O-N 3.29Å; A749-W752 PolarHBondContact O-N 3.48Å; A749-S753 WeakPolarHBondContact O-CB 3.28Å; A749-S753 PolarHBondContact O-N 3.44Å; A749-S753 PolarHBondContact O-OG 3.26Å; A749-V766 HydrophobicContact CB-CG2 4.13Å |
| 750 | E | 66.2 | Low | 64.4 | Low | 90 Ų | 90 | 71 Ų | 71 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.5 | -41.3 | 175.7 | -63.5 | 167 | -173.2 | 0 | 0 | 112.5 | K748 W752 G754 P757 | K748-E750 PolarHBondContact O-N 2.75Å; K748-E750 VanDerWaalsContact O-N 3.16Å; E750-W752 VanDerWaalsContact C-N 3.29Å; E750-W752 PolarHBondContact O-N 3.3Å; E750-G754 PolarHBondContact O-N 3.34Å; E750-P757 WeakPolarHBondContact OE1-CA 3.46Å; E750-P757 VanDerWaalsContact OE1-CB 3.29Å; E750-P757 WeakPolarHBondContact OE1-CB 3.4Å |
| 751 | L | 69.9 | Low | 62.9 | Low | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.188 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68 | -30.9 | -178.2 | -71.3 | 162.2 | 0 | 0 | 0 | 112.1 | K748 A749 P918 F925 | K748-L751 HydrophobicContact CB-CD1 4.01Å; K748-L751 HydrophobicContact CB-CG 4.32Å; K748-L751 PolarHBondContact O-N 3.31Å; K748-L751 VanDerWaalsContact O-N 3.1Å; A749-L751 VanDerWaalsContact C-N 3.33Å; A749-L751 PolarHBondContact O-N 3.29Å; L751-P918 HydrophobicContact CD2-CB 3.69Å; L751-P918 HydrophobicContact CD2-CG 3.81Å; L751-F925 HydrophobicContact CB-CD1 3.9Å; L751-F925 HydrophobicContact CB-CE1 4.05Å; L751-F925 WeakPolarHBondContact O-CD1 3.49Å |
| 752 | W | 68.1 | Low | 61.4 | Low | 58 Ų | 58 | 74.7 Ų | 74.7 | 22% | 0.22 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -92.1 | -41.4 | -177.2 | -83.1 | 111.4 | 0 | 0 | 0 | 113.9 | M668 A749 E750 M779 F925 P926 | M668-W752 HydrophobicContact CE-CH2 3.83Å; M668-W752 HydrophobicContact CG-CH2 4.49Å; A749-W752 PolarHBondContact O-N 3.48Å; E750-W752 VanDerWaalsContact C-N 3.29Å; E750-W752 PolarHBondContact O-N 3.3Å; W752-M779 HydrophobicContact CD2-SD 4.24Å; W752-M779 HydrophobicContact CE3-SD 4.41Å; W752-M779 HydrophobicContact CH2-CE 3.65Å; W752-M779 HydrophobicContact CH2-SD 3.8Å; W752-M779 HydrophobicContact CZ2-CE 3.53Å; W752-M779 HydrophobicContact CZ2-SD 3.53Å; W752-M779 VanDerWaalsContact CZ2-SD 3.53Å; W752-M779 HydrophobicContact CZ3-CE 4.5Å; W752-M779 HydrophobicContact CZ3-SD 4.2Å; W752-F925 AromaticContact CD1-CE1 3.89Å; W752-F925 AromaticContact CD2-CE1 3.52Å; W752-F925 HydrophobicContact CD2-CE1 3.52Å; W752-F925 HydrophobicContact CD2-CZ 4.04Å; W752-F925 AromaticContact CE2-CE1 3.32Å; W752-F925 AromaticContact CE2-CZ 3.31Å; W752-F925 HydrophobicContact CE3-CE1 4.05Å; W752-F925 AromaticContact CG-CE1 3.88Å; W752-F925 HydrophobicContact CG-CE1 3.88Å; W752-F925 HydrophobicContact CH2-CE1 4.1Å; W752-F925 HydrophobicContact CH2-CZ 4.01Å; W752-F925 AromaticContact CZ2-CE1 3.63Å; W752-F925 HydrophobicContact CZ2-CE1 3.63Å; W752-F925 HydrophobicContact CZ2-CE2 4.34Å; W752-F925 AromaticContact CZ2-CZ 3.29Å; W752-F925 HydrophobicContact CZ2-CZ 3.29Å; W752-F925 HydrophobicContact CZ3-CE1 4.32Å; W752-F925 AromaticContact NE1-CE1 3.6Å; W752-F925 AromaticContact NE1-CZ 3.5Å; W752-P926 HydrophobicContact CE3-CB 4.41Å; W752-P926 HydrophobicContact CH2-CB 3.46Å; W752-P926 VanDerWaalsContact CH2-CB 3.46Å; W752-P926 HydrophobicContact CH2-CG 4.17Å; W752-P926 HydrophobicContact CZ2-CB 4.32Å; W752-P926 HydrophobicContact CZ3-CB 3.55Å; W752-P926 HydrophobicContact CZ3-CG 3.75Å |
| 753 | S | 60.3 | Low | 60.3 | Low | 53 Ų | 53 | 80 Ų | 80 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -90.4 | -13.9 | -170.3 | 64 | 0 | 0 | 0 | 0 | 113.6 | A749 V755 | A749-S753 WeakPolarHBondContact O-CB 3.28Å; A749-S753 PolarHBondContact O-N 3.44Å; A749-S753 PolarHBondContact O-OG 3.26Å; S753-V755 PolarHBondContact O-N 3.35Å; S753-V755 VanDerWaalsContact O-N 3.08Å; S753-V755 PolarHBondContact OG-N 2.72Å |
| 754 | G | 55.8 | Low | 59.9 | Low | 74 Ų | 74 | 74.3 Ų | 74.3 | 76% | 0.763 | 46% | 0.455 | S | S | * | . | trans | 62.4 | 8.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E750 | E750-G754 PolarHBondContact O-N 3.34Š| ||
| 755 | V | 55.7 | Low | 60.2 | Low | 63 Ų | 63 | 75.4 Ų | 75.4 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 142.3 | -179 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | S753 T761 | S753-V755 PolarHBondContact O-N 3.35Å; S753-V755 VanDerWaalsContact O-N 3.08Å; S753-V755 PolarHBondContact OG-N 2.72Å; V755-T761 HydrophobicContact CB-CG2 4.3Å; V755-T761 HydrophobicContact CG1-CG2 4.39Å; V755-T761 HydrophobicContact CG2-CG2 3.92Å |
| 756 | A | 51.3 | Low | 60.7 | Low | 75 Ų | 75 | 69.3 Ų | 69.3 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 149 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G758 G759 | A756-G758 PolarHBondContact O-N 2.82Å; A756-G759 PolarHBondContact O-N 3.15Å |
| 757 | P | 51.8 | Low | 61.4 | Low | 103 Ų | 103 | 66.6 Ų | 66.6 | 67% | 0.669 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 125.2 | 179.1 | -26.4 | 33.1 | 0 | 0 | 0 | 112.3 | E750 | E750-P757 WeakPolarHBondContact OE1-CA 3.46Å; E750-P757 VanDerWaalsContact OE1-CB 3.29Å; E750-P757 WeakPolarHBondContact OE1-CB 3.4Å |
| 758 | G | 53.2 | Low | 62.2 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 83% | 0.825 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.7 | 2.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | A756 | A756-G758 PolarHBondContact O-N 2.82Š|
| 759 | G | 48.6 | Very low | 63.2 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | trans | -71.1 | 130.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A756 T761 | A756-G759 PolarHBondContact O-N 3.15Å; G759-T761 PolarHBondContact O-N 2.95Å; G759-T761 VanDerWaalsContact O-N 3.14Å | ||
| 760 | P | 46.2 | Very low | 64.5 | Low | 128 Ų | 128 | 59.9 Ų | 59.9 | 83% | 0.831 | 40% | 0.397 | S | S | * | . | trans | -68.7 | 111.1 | 171.7 | 26.9 | -31.5 | 0 | 0 | 0 | 109.5 | P762 | P760-P762 WeakPolarHBondContact O-CD 3.49Š| ||
| 761 | T | 53.6 | Low | 65.6 | Low | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | trans | -103.6 | 89.9 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | V755 G759 L763 S764 | V755-T761 HydrophobicContact CB-CG2 4.3Å; V755-T761 HydrophobicContact CG1-CG2 4.39Å; V755-T761 HydrophobicContact CG2-CG2 3.92Å; G759-T761 PolarHBondContact O-N 2.95Å; G759-T761 VanDerWaalsContact O-N 3.14Å; T761-L763 PolarHBondContact O-N 3.18Å; T761-S764 PolarHBondContact O-N 3.29Å | ||
| 762 | P | 53.6 | Low | 66.5 | Low | 118 Ų | 118 | 61.8 Ų | 61.8 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.8 | 172.9 | 24.5 | -31.8 | 0 | 0 | 0 | 109.3 | P760 | P760-P762 WeakPolarHBondContact O-CD 3.49Š|
| 763 | L | 58.9 | Low | 67.4 | Low | 129 Ų | 129 | 59.1 Ų | 59.1 | 68% | 0.675 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 54.4 | -174.9 | -60.7 | 152.2 | 0 | 0 | 0 | 113.2 | T761 | T761-L763 PolarHBondContact O-N 3.18Š|
| 764 | S | 66.6 | Low | 68.9 | Low | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | trans | -66.4 | 148.5 | 168 | 77 | 0 | 0 | 0 | 0 | 110.3 | T761 V766 D767 S777 | T761-S764 PolarHBondContact O-N 3.29Å; S764-V766 PolarHBondContact O-N 3.39Å; S764-V766 VanDerWaalsContact O-N 3.14Å; S764-V766 PolarHBondContact OG-N 2.83Å; S764-D767 PolarHBondContact OG-N 3.47Å; S764-S777 PolarHBondContact O-OG 3.16Å | ||
| 765 | D | 72.1 | Confident | 70.7 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 19% | 0.193 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -71.2 | 3.5 | 170.8 | -83.1 | -53.9 | 0 | 0 | 0 | 112.5 | K720 G778 M779 | K720-D765 IonicContact NZ-OD1 3.61Å; K720-D765 PolarHBondContact NZ-OD1 2.93Å; D765-G778 CarbonylContact O-C 3.54Å; D765-G778 WeakPolarHBondContact O-CA 3.28Å; D765-M779 HydrophobicContact CB-CG 4.27Å; D765-M779 HydrophobicContact CB-SD 4.25Å; D765-M779 WeakPolarHBondContact O-CG 3.42Å; D765-M779 PolarHBondContact O-N 3.04Å |
| 766 | V | 75.4 | Confident | 72.2 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -89.5 | -46.5 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | G744 T747 A749 S764 | G744-V766 WeakPolarHBondContact CA-O 3.34Å; T747-V766 VanDerWaalsContact O-CG1 3.29Å; T747-V766 WeakPolarHBondContact O-CG1 3.45Å; A749-V766 HydrophobicContact CB-CG2 4.13Å; S764-V766 PolarHBondContact O-N 3.39Å; S764-V766 VanDerWaalsContact O-N 3.14Å; S764-V766 PolarHBondContact OG-N 2.83Å |
| 767 | D | 81.1 | Confident | 73.8 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.332 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -85.3 | 128 | -176.8 | -63.8 | -34.8 | 0 | 0 | 0 | 111.4 | I743 G744 S764 S777 G778 | I743-D767 WeakPolarHBondContact CA-OD1 3.47Å; G744-D767 PolarHBondContact N-OD1 3.08Å; S764-D767 PolarHBondContact OG-N 3.47Å; D767-S777 CarbonylContact O-C 3.39Å; D767-G778 WeakPolarHBondContact O-CA 3.33Å; D767-G778 PolarHBondContact O-N 3.15Å |
| 768 | L | 86.1 | Confident | 75.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.6 | -179.5 | -160.3 | 81.9 | 0 | 0 | 0 | 110.3 | L742 I770 L775 S777 L780 L792 | L742-L768 HydrophobicContact CB-CB 4.11Å; L742-L768 HydrophobicContact CD1-CD2 3.92Å; L742-L768 PolarHBondContact N-O 3.24Å; L742-L768 PolarHBondContact O-N 3.42Å; L768-I770 HydrophobicContact CD2-CD1 4.04Å; L768-I770 HydrophobicContact CD2-CG1 4.41Å; L768-I770 HydrophobicContact CG-CG1 4.48Å; L768-L775 HydrophobicContact CD1-CD1 3.36Å; L768-L775 HydrophobicContact CD1-CD2 4.36Å; L768-L775 HydrophobicContact CD1-CG 4.49Å; L768-L775 HydrophobicContact CG-CD1 3.71Å; L768-S777 WeakPolarHBondContact CA-O 3.29Å; L768-L780 HydrophobicContact CD1-CD2 3.85Å; L768-L780 HydrophobicContact CD2-CD2 3.95Å; L768-L792 HydrophobicContact CD2-CB 4.43Å; L768-L792 HydrophobicContact CD2-CD2 4.34Å |
| 769 | V | 88.7 | Confident | 76.9 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116 | 178.2 | -178 | 0 | 0 | 0 | 0 | 109.3 | T741 A776 S777 | T741-V769 HydrophobicContact CG2-CG1 4.3Å; V769-A776 PolarHBondContact O-N 3.28Å; V769-S777 PolarHBondContact N-O 2.91Å; V769-S777 PolarHBondContact O-N 3.34Å |
| 770 | I | 90.7 | Very high | 78.8 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.8 | 176.6 | -57.2 | 173.9 | 0 | 0 | 0 | 108.1 | L727 L738 N739 A740 L768 Y774 L775 L792 | L727-I770 HydrophobicContact CD1-CD1 4.04Å; L727-I770 HydrophobicContact CD1-CG2 4.41Å; L738-I770 WeakPolarHBondContact O-CG2 3.49Å; N739-I770 WeakPolarHBondContact CA-O 3.43Å; A740-I770 HydrophobicContact CB-CB 4.46Å; A740-I770 PolarHBondContact N-O 3.2Å; A740-I770 PolarHBondContact O-N 2.97Å; L768-I770 HydrophobicContact CD2-CD1 4.04Å; L768-I770 HydrophobicContact CD2-CG1 4.41Å; L768-I770 HydrophobicContact CG-CG1 4.48Å; I770-Y774 WeakPolarHBondContact CA-O 3.29Å; I770-L775 HydrophobicContact CG1-CD1 3.94Å; I770-L792 HydrophobicContact CD1-CD1 3.36Å; I770-L792 HydrophobicContact CD1-CD2 4.38Å; I770-L792 HydrophobicContact CD1-CG 4.49Å |
| 771 | C | 90.2 | Very high | 80.8 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 42% | 0.419 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.2 | 177.4 | -60 | 0 | 0 | 0 | 0 | 109.2 | N739 G773 Y774 | N739-C771 VanDerWaalsContact OD1-CA 3.3Å; N739-C771 WeakPolarHBondContact OD1-CA 3.36Å; C771-G773 PolarHBondContact O-N 3.25Å; C771-Y774 PolarHBondContact N-O 2.71Å; C771-Y774 WeakPolarHBondContact O-CA 3.25Å; C771-Y774 VanDerWaalsContact O-CB 3.25Å; C771-Y774 WeakPolarHBondContact O-CB 3.48Å; C771-Y774 PolarHBondContact O-N 3.11Å |
| 772 | D | 88.7 | Confident | 82.5 | Confident | 105 Ų | 105 | 38.1 Ų | 38.1 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 45.8 | -179.2 | -58.9 | -38.6 | 0 | 0 | 0 | 113 | P737 L738 N739 Y774 | P737-D772 HydrophobicContact CB-CB 4.39Å; P737-D772 WeakPolarHBondContact CB-O 3.37Å; L738-D772 PolarHBondContact O-N 3.41Å; N739-D772 PolarHBondContact ND2-OD1 3.12Å; N739-D772 PolarHBondContact OD1-N 3.47Å; N739-D772 PolarHBondContact OD1-OD1 2.99Å; D772-Y774 PolarHBondContact O-N 2.9Å |
| 773 | G | 87.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -4.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L738 C771 | L738-G773 PolarHBondContact O-N 2.96Å; C771-G773 PolarHBondContact O-N 3.25Å |
| 774 | Y | 92.2 | Very high | 85.6 | Confident | 90 Ų | 90 | 27.2 Ų | 27.2 | 35% | 0.353 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.9 | 176.9 | -171.7 | -94.3 | 0 | 0 | 0 | 111.8 | I706 Q721 I770 C771 D772 A776 | I706-Y774 HydrophobicContact CD1-CD2 4.26Å; I706-Y774 HydrophobicContact CG2-CE2 4.31Å; Q721-Y774 HydrophobicContact CG-CE2 4.15Å; I770-Y774 WeakPolarHBondContact CA-O 3.29Å; C771-Y774 PolarHBondContact N-O 2.71Å; C771-Y774 WeakPolarHBondContact O-CA 3.25Å; C771-Y774 VanDerWaalsContact O-CB 3.25Å; C771-Y774 WeakPolarHBondContact O-CB 3.48Å; C771-Y774 PolarHBondContact O-N 3.11Å; D772-Y774 PolarHBondContact O-N 2.9Å; Y774-A776 HydrophobicContact CD1-CB 4.32Å; Y774-A776 PolarHBondContact O-N 2.98Å; Y774-A776 VanDerWaalsContact O-N 3.12Å |
| 775 | L | 91.8 | Very high | 86.8 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 99.2 | 173.5 | 179.2 | 58.6 | 0 | 0 | 0 | 110.8 | T667 K720 I723 S724 L768 I770 S777 | T667-L775 HydrophobicContact CG2-CD2 4.36Å; K720-L775 HydrophobicContact CB-CD2 4.13Å; K720-L775 HydrophobicContact CB-CG 4.24Å; K720-L775 HydrophobicContact CG-CD2 4.1Å; K720-L775 HydrophobicContact CG-CG 4.35Å; I723-L775 HydrophobicContact CB-CD2 4.25Å; I723-L775 HydrophobicContact CG2-CD2 4.15Å; S724-L775 PolarHBondContact OG-N 3.42Å; L768-L775 HydrophobicContact CD1-CD1 3.36Å; L768-L775 HydrophobicContact CD1-CD2 4.36Å; L768-L775 HydrophobicContact CD1-CG 4.49Å; L768-L775 HydrophobicContact CG-CD1 3.71Å; I770-L775 HydrophobicContact CG1-CD1 3.94Å; L775-S777 WeakPolarHBondContact CD1-O 3.44Å |
| 776 | A | 87.4 | Confident | 87.6 | Confident | 46 Ų | 46 | 25 Ų | 25 | 38% | 0.38 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -40.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V769 Y774 | V769-A776 PolarHBondContact O-N 3.28Å; Y774-A776 HydrophobicContact CD1-CB 4.32Å; Y774-A776 PolarHBondContact O-N 2.98Å; Y774-A776 VanDerWaalsContact O-N 3.12Å |
| 777 | S | 86.5 | Confident | 88.1 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 157.7 | -177.7 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | S764 D767 L768 V769 L775 | S764-S777 PolarHBondContact O-OG 3.16Å; D767-S777 CarbonylContact O-C 3.39Å; L768-S777 WeakPolarHBondContact CA-O 3.29Å; V769-S777 PolarHBondContact N-O 2.91Å; V769-S777 PolarHBondContact O-N 3.34Å; L775-S777 WeakPolarHBondContact CD1-O 3.44Å |
| 778 | G | 83.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | 98.9 | 163.3 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | K720 D765 D767 | K720-G778 WeakPolarHBondContact CE-O 3.37Å; D765-G778 CarbonylContact O-C 3.54Å; D765-G778 WeakPolarHBondContact O-CA 3.28Å; D767-G778 WeakPolarHBondContact O-CA 3.33Å; D767-G778 PolarHBondContact O-N 3.15Å | ||
| 779 | M | 85.8 | Confident | 88.3 | Confident | 12 Ų | 12 | 26.6 Ų | 26.6 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | trans | -111.1 | 144.9 | 177.4 | -64.1 | 173.7 | 65.9 | 0 | 0 | 111.6 | V664 T667 M668 W752 D765 D781 H784 | V664-M779 HydrophobicContact CB-CE 4.1Å; V664-M779 HydrophobicContact CG1-CE 3.24Å; V664-M779 WeakPolarHBondContact O-CE 3.19Å; T667-M779 WeakPolarHBondContact OG1-CA 3.48Å; M668-M779 HydrophobicContact CE-CE 4.1Å; M668-M779 HydrophobicContact CG-CE 3.48Å; M668-M779 VanDerWaalsContact CG-CE 3.48Å; M668-M779 HydrophobicContact CG-SD 4.47Å; W752-M779 HydrophobicContact CD2-SD 4.24Å; W752-M779 HydrophobicContact CE3-SD 4.41Å; W752-M779 HydrophobicContact CH2-CE 3.65Å; W752-M779 HydrophobicContact CH2-SD 3.8Å; W752-M779 HydrophobicContact CZ2-CE 3.53Å; W752-M779 HydrophobicContact CZ2-SD 3.53Å; W752-M779 VanDerWaalsContact CZ2-SD 3.53Å; W752-M779 HydrophobicContact CZ3-CE 4.5Å; W752-M779 HydrophobicContact CZ3-SD 4.2Å; D765-M779 HydrophobicContact CB-CG 4.27Å; D765-M779 HydrophobicContact CB-SD 4.25Å; D765-M779 WeakPolarHBondContact O-CG 3.42Å; D765-M779 PolarHBondContact O-N 3.04Å; M779-D781 PolarHBondContact O-N 3.07Å; M779-D781 VanDerWaalsContact O-N 3.12Å; M779-H784 PolarHBondContact O-CE1 3.5Å; M779-H784 PolarHBondContact O-ND1 3.37Å | ||
| 780 | L | 88.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -82.4 | 89.3 | 177 | -69.5 | 179.5 | 0 | 0 | 0 | 111.2 | A663 V664 T667 I723 L768 H784 I785 L792 | A663-L780 HydrophobicContact CB-CB 4.03Å; V664-L780 WeakPolarHBondContact CG2-O 3.41Å; V664-L780 PolarHBondContact N-O 3.03Å; T667-L780 HydrophobicContact CG2-CB 4.26Å; T667-L780 HydrophobicContact CG2-CD1 4Å; T667-L780 HydrophobicContact CG2-CG 3.96Å; T667-L780 PolarHBondContact OG1-N 3.4Å; I723-L780 HydrophobicContact CD1-CD1 3.86Å; I723-L780 HydrophobicContact CG1-CD1 3.86Å; I723-L780 HydrophobicContact CG2-CD1 4.07Å; L768-L780 HydrophobicContact CD1-CD2 3.85Å; L768-L780 HydrophobicContact CD2-CD2 3.95Å; L780-H784 HydrophobicContact CD2-CB 3.96Å; L780-I785 HydrophobicContact CB-CG2 4.23Å; L780-I785 HydrophobicContact CD1-CG2 4.38Å; L780-I785 HydrophobicContact CD2-CG2 4.31Å; L780-L792 HydrophobicContact CD2-CD2 3.8Å | ||
| 781 | D | 87.8 | Confident | 88 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | trans | -89 | -176.3 | 173 | 74.3 | 2.5 | 0 | 0 | 0 | 113.1 | V664 M779 S783 H784 I785 V936 | V664-D781 HydrophobicContact CG2-CB 4.29Å; M779-D781 PolarHBondContact O-N 3.07Å; M779-D781 VanDerWaalsContact O-N 3.12Å; D781-S783 VanDerWaalsContact CG-OG 3.27Å; D781-S783 PolarHBondContact O-N 3.1Å; D781-S783 WeakPolarHBondContact OD1-CA 3.24Å; D781-S783 VanDerWaalsContact OD1-CB 3.28Å; D781-S783 WeakPolarHBondContact OD1-CB 3.37Å; D781-S783 PolarHBondContact OD1-N 3.47Å; D781-S783 PolarHBondContact OD1-OG 3.4Å; D781-S783 PolarHBondContact OD2-OG 2.85Å; D781-H784 PolarHBondContact O-N 3.48Å; D781-H784 VanDerWaalsContact O-N 3.08Å; D781-H784 IonicContact OD1-CE1 2.66Å; D781-H784 PolarHBondContact OD1-CE1 3.39Å; D781-H784 IonicContact OD1-CG 3.51Å; D781-H784 PolarHBondContact OD1-N 3.42Å; D781-H784 IonicContact OD1-ND1 3.79Å; D781-H784 PolarHBondContact OD1-ND1 2.81Å; D781-H784 VanDerWaalsContact OD1-ND1 3.07Å; D781-I785 PolarHBondContact O-N 3.01Å; D781-V936 HydrophobicContact CB-CG1 4.09Å | ||
| 782 | K | 89.5 | Confident | 88 | Confident | 60 Ų | 60 | 22.8 Ų | 22.8 | 26% | 0.261 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.1 | -26.7 | 176.2 | 178.9 | 167.1 | 175.1 | 172.8 | 0 | 112.9 | V660 H784 G786 S788 V936 G937 | V660-K782 HydrophobicContact CG1-CB 3.98Å; K782-H784 PolarHBondContact O-N 3.08Å; K782-G786 WeakPolarHBondContact O-CA 3.3Å; K782-G786 PolarHBondContact O-N 2.75Å; K782-S788 PolarHBondContact O-OG 2.75Å; K782-V936 WeakPolarHBondContact CB-O 3.34Å; K782-V936 PolarHBondContact N-O 3.34Å; K782-G937 WeakPolarHBondContact CD-O 3.45Å |
| 783 | S | 87.6 | Confident | 88.2 | Confident | 15 Ų | 15 | 17.9 Ų | 17.9 | 11% | 0.105 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -74.2 | -13.9 | 179.7 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | D781 S788 G791 | D781-S783 VanDerWaalsContact CG-OG 3.27Å; D781-S783 PolarHBondContact O-N 3.1Å; D781-S783 WeakPolarHBondContact OD1-CA 3.24Å; D781-S783 VanDerWaalsContact OD1-CB 3.28Å; D781-S783 WeakPolarHBondContact OD1-CB 3.37Å; D781-S783 PolarHBondContact OD1-N 3.47Å; D781-S783 PolarHBondContact OD1-OG 3.4Å; D781-S783 PolarHBondContact OD2-OG 2.85Å; S783-S788 WeakPolarHBondContact CA-OG 3.47Å; S783-S788 WeakPolarHBondContact O-CB 3.49Å; S783-S788 PolarHBondContact O-OG 3.17Å; S783-G791 WeakPolarHBondContact O-CA 3.26Å |
| 784 | H | 89.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -101 | -46.5 | 176.5 | -56.1 | 127.2 | 0 | 0 | 0 | 113.1 | M779 L780 D781 K782 L792 I793 | M779-H784 PolarHBondContact O-CE1 3.5Å; M779-H784 PolarHBondContact O-ND1 3.37Å; L780-H784 HydrophobicContact CD2-CB 3.96Å; D781-H784 PolarHBondContact O-N 3.48Å; D781-H784 VanDerWaalsContact O-N 3.08Å; D781-H784 IonicContact OD1-CE1 2.66Å; D781-H784 PolarHBondContact OD1-CE1 3.39Å; D781-H784 IonicContact OD1-CG 3.51Å; D781-H784 PolarHBondContact OD1-N 3.42Å; D781-H784 IonicContact OD1-ND1 3.79Å; D781-H784 PolarHBondContact OD1-ND1 2.81Å; D781-H784 VanDerWaalsContact OD1-ND1 3.07Å; K782-H784 PolarHBondContact O-N 3.08Å; H784-L792 HydrophobicContact CB-CB 4.16Å; H784-L792 PolarHBondContact O-N 3.28Å; H784-L792 VanDerWaalsContact O-N 3.09Å; H784-I793 PolarHBondContact O-N 3.4Å |
| 785 | I | 91.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -106.2 | -9.6 | -173.1 | 71.4 | 178.9 | 0 | 0 | 0 | 114.3 | L655 V660 A663 L780 D781 I793 I812 | L655-I785 HydrophobicContact CB-CD1 4.16Å; L655-I785 HydrophobicContact CB-CG1 4.25Å; L655-I785 HydrophobicContact CD1-CD1 4.21Å; L655-I785 PolarHBondContact N-O 3.01Å; V660-I785 HydrophobicContact CG2-CD1 4.32Å; V660-I785 HydrophobicContact CG2-CG1 4.46Å; A663-I785 HydrophobicContact CB-CD1 3.53Å; L780-I785 HydrophobicContact CB-CG2 4.23Å; L780-I785 HydrophobicContact CD1-CG2 4.38Å; L780-I785 HydrophobicContact CD2-CG2 4.31Å; D781-I785 PolarHBondContact O-N 3.01Å; I785-I793 HydrophobicContact CB-CD1 4.25Å; I785-I793 WeakPolarHBondContact O-CD1 3.31Å; I785-I812 HydrophobicContact CG2-CD1 4.03Å |
| 786 | G | 88.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -89 | -166.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K782 S788 | K782-G786 WeakPolarHBondContact O-CA 3.3Å; K782-G786 PolarHBondContact O-N 2.75Å; G786-S788 PolarHBondContact O-N 2.62Å |
| 787 | S | 86.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 12.8 Ų | 12.8 | 24% | 0.238 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -81.4 | 58.4 | -178.2 | 72 | 0 | 0 | 0 | 0 | 112.1 | K608 P651 L652 | K608-S787 PolarHBondContact NZ-OG 2.76Å; P651-S787 WeakPolarHBondContact O-CB 3.23Å; L652-S787 WeakPolarHBondContact O-CB 3.31Å |
| 788 | S | 85.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 12.7 Ų | 12.7 | 17% | 0.168 | 8% | 0.075 | C | C | . | . | trans | -116.1 | 135.5 | -174.3 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | P651 K782 S783 G786 G791 | P651-S788 WeakPolarHBondContact CG-O 3.43Å; K782-S788 PolarHBondContact O-OG 2.75Å; S783-S788 WeakPolarHBondContact CA-OG 3.47Å; S783-S788 WeakPolarHBondContact O-CB 3.49Å; S783-S788 PolarHBondContact O-OG 3.17Å; G786-S788 PolarHBondContact O-N 2.62Å; S788-G791 PolarHBondContact O-N 3.38Å | ||
| 789 | S | 85.9 | Confident | 89.2 | Confident | 52 Ų | 52 | 12.7 Ų | 12.7 | 36% | 0.364 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.5 | 171.6 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | G791 | S789-G791 PolarHBondContact O-N 3.3Å; S789-G791 VanDerWaalsContact O-N 3.1Å |
| 790 | T | 84.6 | Confident | 89.4 | Confident | 19 Ų | 19 | 13.3 Ų | 13.3 | 12% | 0.117 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.2 | -176.9 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | R745 H794 I1071 | R745-T790 PolarHBondContact NH2-OG1 2.89Å; T790-H794 PolarHBondContact N-ND1 3.49Å; T790-I1071 HydrophobicContact CG2-CB 4.46Å; T790-I1071 HydrophobicContact CG2-CG2 3.86Å |
| 791 | G | 88.2 | Confident | 89.4 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | trans | -71 | 170 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S783 S788 S789 I793 H794 C795 | S783-G791 WeakPolarHBondContact O-CA 3.26Å; S788-G791 PolarHBondContact O-N 3.38Å; S789-G791 PolarHBondContact O-N 3.3Å; S789-G791 VanDerWaalsContact O-N 3.1Å; G791-I793 VanDerWaalsContact C-N 3.3Å; G791-I793 PolarHBondContact O-N 2.8Å; G791-H794 WeakPolarHBondContact O-CB 3.39Å; G791-H794 PolarHBondContact O-N 3.16Å; G791-H794 VanDerWaalsContact O-N 3.07Å; G791-C795 PolarHBondContact O-N 3.41Å; G791-C795 PolarHBondContact O-SG 2.88Å | ||
| 792 | L | 91.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.8 | -45.3 | -179.1 | 175.7 | 59.5 | 0 | 0 | 0 | 112.2 | L738 L742 L768 I770 L780 H784 H794 C795 V796 L808 | L738-L792 HydrophobicContact CD2-CD1 4.16Å; L742-L792 HydrophobicContact CD1-CB 4.1Å; L768-L792 HydrophobicContact CD2-CB 4.43Å; L768-L792 HydrophobicContact CD2-CD2 4.34Å; I770-L792 HydrophobicContact CD1-CD1 3.36Å; I770-L792 HydrophobicContact CD1-CD2 4.38Å; I770-L792 HydrophobicContact CD1-CG 4.49Å; L780-L792 HydrophobicContact CD2-CD2 3.8Å; H784-L792 HydrophobicContact CB-CB 4.16Å; H784-L792 PolarHBondContact O-N 3.28Å; H784-L792 VanDerWaalsContact O-N 3.09Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 3.25Å; L792-C795 WeakPolarHBondContact O-CB 3.38Å; L792-C795 PolarHBondContact O-N 2.87Å; L792-V796 HydrophobicContact CD1-CG2 4.43Å; L792-V796 WeakPolarHBondContact O-CG2 3.46Å; L792-V796 PolarHBondContact O-N 3.49Å; L792-L808 HydrophobicContact CG-CD2 4.48Å |
| 793 | I | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | -179.3 | -55.9 | -174.8 | 0 | 0 | 0 | 110.9 | Y643 H784 I785 G791 V796 Y797 A805 L809 | Y643-I793 HydrophobicContact CE2-CG2 3.9Å; Y643-I793 WeakPolarHBondContact OH-CG2 3.48Å; H784-I793 PolarHBondContact O-N 3.4Å; I785-I793 HydrophobicContact CB-CD1 4.25Å; I785-I793 WeakPolarHBondContact O-CD1 3.31Å; G791-I793 VanDerWaalsContact C-N 3.3Å; G791-I793 PolarHBondContact O-N 2.8Å; I793-V796 PolarHBondContact O-N 2.98Å; I793-Y797 WeakPolarHBondContact O-CB 3.45Å; I793-Y797 PolarHBondContact O-N 2.64Å; I793-A805 HydrophobicContact CG2-CB 4.16Å; I793-L809 HydrophobicContact CD1-CB 4.26Å; I793-L809 HydrophobicContact CD1-CD1 3.29Å; I793-L809 HydrophobicContact CD1-CG 4.36Å |
| 794 | H | 92.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.7 | -165.2 | -176 | 0 | 0 | 0 | 111.9 | Y643 P651 T790 G791 L792 V796 Y797 E798 F1067 | Y643-H794 HydrophobicContact CE1-CB 4.39Å; Y643-H794 PolarHBondContact OH-N 2.83Å; P651-H794 HydrophobicContact CG-CB 4.12Å; T790-H794 PolarHBondContact N-ND1 3.49Å; G791-H794 WeakPolarHBondContact O-CB 3.39Å; G791-H794 PolarHBondContact O-N 3.16Å; G791-H794 VanDerWaalsContact O-N 3.07Å; L792-H794 VanDerWaalsContact C-N 3.31Å; L792-H794 PolarHBondContact O-N 3.25Å; H794-V796 VanDerWaalsContact C-N 3.3Å; H794-V796 PolarHBondContact O-N 2.85Å; H794-Y797 WeakPolarHBondContact O-CB 3.48Å; H794-Y797 PolarHBondContact O-N 3.04Å; H794-E798 WeakPolarHBondContact O-CB 3.48Å; H794-E798 PolarHBondContact O-N 3.2Å; H794-F1067 AromaticContact CD2-CE2 3.5Å; H794-F1067 AromaticContact CE1-CE2 3.73Å; H794-F1067 AromaticContact CG-CE2 3.83Å; H794-F1067 AromaticContact ND1-CE2 3.98Å; H794-F1067 AromaticContact NE2-CE2 3.43Å; H794-F1067 WeakPolarHBondContact NE2-CE2 3.05Å |
| 795 | C | 91.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 171.4 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | G791 L792 E798 A799 F1075 | G791-C795 PolarHBondContact O-N 3.41Å; G791-C795 PolarHBondContact O-SG 2.88Å; L792-C795 WeakPolarHBondContact O-CB 3.38Å; L792-C795 PolarHBondContact O-N 2.87Å; C795-E798 PolarHBondContact O-N 3.38Å; C795-A799 VanDerWaalsContact O-CB 3.24Å; C795-A799 WeakPolarHBondContact O-CB 3.36Å; C795-A799 PolarHBondContact O-N 3Å; C795-F1075 HydrophobicContact CB-CD2 4.45Å; C795-F1075 HydrophobicContact CB-CE2 3.79Å; C795-F1075 HydrophobicContact CB-CZ 3.82Å |
| 796 | V | 92.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.2 | -38.6 | 176.5 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | L738 L792 I793 H794 E798 A799 Y800 G801 A805 L808 | L738-V796 HydrophobicContact CD2-CG2 3.89Å; L792-V796 HydrophobicContact CD1-CG2 4.43Å; L792-V796 WeakPolarHBondContact O-CG2 3.46Å; L792-V796 PolarHBondContact O-N 3.49Å; I793-V796 PolarHBondContact O-N 2.98Å; H794-V796 VanDerWaalsContact C-N 3.3Å; H794-V796 PolarHBondContact O-N 2.85Å; V796-E798 VanDerWaalsContact C-N 3.31Å; V796-E798 PolarHBondContact O-N 3.24Å; V796-A799 PolarHBondContact O-N 3.22Å; V796-Y800 HydrophobicContact CG1-CD2 4.15Å; V796-Y800 PolarHBondContact O-N 3Å; V796-G801 PolarHBondContact O-N 3.31Å; V796-A805 HydrophobicContact CG1-CB 4.24Å; V796-L808 HydrophobicContact CB-CD2 4.1Å; V796-L808 HydrophobicContact CG1-CD2 4.05Å; V796-L808 HydrophobicContact CG2-CD2 3.71Å |
| 797 | Y | 92.5 | Very high | 89.8 | Confident | 21 Ų | 21 | 17.8 Ų | 17.8 | 8% | 0.082 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 171.3 | 179.7 | -85 | 0 | 0 | 0 | 111.1 | Y643 L644 I793 H794 G801 P802 A805 R1086 | Y643-Y797 AromaticContact CD1-CD2 3.63Å; Y643-Y797 HydrophobicContact CD1-CD2 3.63Å; Y643-Y797 AromaticContact CD1-CE2 4Å; Y643-Y797 HydrophobicContact CD1-CE2 4Å; Y643-Y797 AromaticContact CD1-CG 4Å; Y643-Y797 HydrophobicContact CD1-CG 4Å; Y643-Y797 HydrophobicContact CE1-CD2 4.33Å; Y643-Y797 HydrophobicContact CE1-CG 4.33Å; Y643-Y797 HydrophobicContact CG-CD2 4.13Å; Y643-Y797 HydrophobicContact CG-CE2 4.34Å; L644-Y797 HydrophobicContact CD1-CD1 4.36Å; L644-Y797 HydrophobicContact CD1-CE1 3.65Å; L644-Y797 HydrophobicContact CG-CE1 4.31Å; I793-Y797 WeakPolarHBondContact O-CB 3.45Å; I793-Y797 PolarHBondContact O-N 2.64Å; H794-Y797 WeakPolarHBondContact O-CB 3.48Å; H794-Y797 PolarHBondContact O-N 3.04Å; Y797-G801 WeakPolarHBondContact O-CA 2.93Å; Y797-G801 PolarHBondContact O-N 3.42Å; Y797-P802 HydrophobicContact CD2-CB 4.16Å; Y797-P802 HydrophobicContact CE2-CB 3.72Å; Y797-A805 HydrophobicContact CD2-CB 4.29Å; Y797-R1086 PolarHBondContact O-NH2 3.22Å |
| 798 | E | 90.4 | Very high | 90 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.6 | -30.6 | -179.5 | -167.5 | 61.6 | -163.9 | 0 | 0 | 113.2 | H794 C795 V796 F1067 F1075 F1076 R1086 W1087 K1188 | H794-E798 WeakPolarHBondContact O-CB 3.48Å; H794-E798 PolarHBondContact O-N 3.2Å; C795-E798 PolarHBondContact O-N 3.38Å; V796-E798 VanDerWaalsContact C-N 3.31Å; V796-E798 PolarHBondContact O-N 3.24Å; E798-F1067 HydrophobicContact CB-CD2 4.05Å; E798-F1067 HydrophobicContact CB-CE1 4.44Å; E798-F1067 HydrophobicContact CB-CE2 3.61Å; E798-F1067 HydrophobicContact CB-CZ 3.86Å; E798-F1067 HydrophobicContact CG-CD1 4.3Å; E798-F1067 HydrophobicContact CG-CD2 3.74Å; E798-F1067 HydrophobicContact CG-CE1 4.43Å; E798-F1067 HydrophobicContact CG-CE2 3.84Å; E798-F1067 HydrophobicContact CG-CG 3.99Å; E798-F1067 HydrophobicContact CG-CZ 4.22Å; E798-F1075 HydrophobicContact CB-CE1 4.36Å; E798-F1075 HydrophobicContact CG-CE1 4.38Å; E798-F1076 HydrophobicContact CG-CE1 4.02Å; E798-R1086 VanDerWaalsContact O-CD 3.23Å; E798-R1086 WeakPolarHBondContact O-CD 3.35Å; E798-R1086 PolarHBondContact O-NE 3Å; E798-R1086 PolarHBondContact O-NH1 3.49Å; E798-R1086 PolarHBondContact O-NH2 3.33Å; E798-R1086 VanDerWaalsContact O-NH2 3.14Å; E798-W1087 WeakPolarHBondContact OE1-CZ2 3.12Å; E798-K1188 VanDerWaalsContact OE1-CE 3.31Å; E798-K1188 WeakPolarHBondContact OE1-CE 3.33Å; E798-K1188 IonicContact OE1-NZ 2.75Å; E798-K1188 PolarHBondContact OE1-NZ 2.97Å; E798-K1188 IonicContact OE2-NZ 3Å |
| 799 | A | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -85.5 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L738 C795 V796 F1075 L1082 M1083 R1086 | L738-A799 HydrophobicContact CD1-CB 3.8Å; C795-A799 VanDerWaalsContact O-CB 3.24Å; C795-A799 WeakPolarHBondContact O-CB 3.36Å; C795-A799 PolarHBondContact O-N 3Å; V796-A799 PolarHBondContact O-N 3.22Å; A799-F1075 HydrophobicContact CB-CZ 4.23Å; A799-L1082 HydrophobicContact CB-CD2 3.88Å; A799-M1083 HydrophobicContact CB-CE 4.2Å; A799-R1086 WeakPolarHBondContact O-CD 3.32Å; A799-R1086 PolarHBondContact O-NH1 3.05Å |
| 800 | Y | 90.2 | Very high | 90.6 | Very high | 25 Ų | 25 | 13 Ų | 13 | 10% | 0.098 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -118.8 | -11.9 | -171.2 | -56.1 | -50.6 | 0 | 0 | 0 | 114.9 | T731 P732 L735 L736 P737 L738 V796 L1082 R1086 | T731-Y800 HydrophobicContact CG2-CE1 3.95Å; P732-Y800 HydrophobicContact CG-CD1 4.32Å; P732-Y800 HydrophobicContact CG-CG 4.38Å; L735-Y800 HydrophobicContact CB-CD1 4.22Å; L735-Y800 HydrophobicContact CB-CE1 3.97Å; L735-Y800 HydrophobicContact CD1-CD1 3.67Å; L735-Y800 HydrophobicContact CD1-CE1 4.28Å; L736-Y800 WeakPolarHBondContact O-CE1 3.28Å; L736-Y800 PolarHBondContact O-OH 3.22Å; P737-Y800 VanDerWaalsContact C-OH 3.28Å; P737-Y800 WeakPolarHBondContact CA-OH 3.15Å; L738-Y800 HydrophobicContact CB-CE2 4.31Å; L738-Y800 PolarHBondContact N-OH 3.1Å; V796-Y800 HydrophobicContact CG1-CD2 4.15Å; V796-Y800 PolarHBondContact O-N 3Å; Y800-L1082 HydrophobicContact CD1-CD1 4.49Å; Y800-L1082 HydrophobicContact CE1-CD1 3.85Å; Y800-L1082 HydrophobicContact CE1-CD2 4.15Å; Y800-R1086 VanDerWaalsContact CA-NH1 3.34Å; Y800-R1086 VanDerWaalsContact N-NH1 3.11Å |
| 801 | G | 89.3 | Confident | 90.9 | Very high | 7 Ų | 7 | 12.1 Ų | 12.1 | 7% | 0.072 | 7% | 0.067 | C | C | . | . | trans | 101.9 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V796 Y797 A805 | V796-G801 PolarHBondContact O-N 3.31Å; Y797-G801 WeakPolarHBondContact O-CA 2.93Å; Y797-G801 PolarHBondContact O-N 3.42Å; G801-A805 PolarHBondContact O-N 2.68Å | ||
| 802 | P | 91.1 | Very high | 91.1 | Very high | 28 Ų | 28 | 12.1 Ų | 12.1 | 18% | 0.182 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | -170.5 | 22.3 | -32.3 | 0 | 0 | 0 | 114.2 | P640 Y797 A805 S806 | P640-P802 HydrophobicContact CB-CB 3.87Å; P640-P802 WeakPolarHBondContact O-CB 3.07Å; Y797-P802 HydrophobicContact CD2-CB 4.16Å; Y797-P802 HydrophobicContact CE2-CB 3.72Å; P802-A805 PolarHBondContact O-N 2.84Å; P802-S806 PolarHBondContact O-N 2.86Å; P802-S806 PolarHBondContact O-OG 3.18Å |
| 803 | E | 88.6 | Confident | 91.2 | Very high | 86 Ų | 86 | 12.1 Ų | 12.1 | 40% | 0.402 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -63.8 | -44.2 | -179 | -66.6 | -59.8 | 153.8 | 0 | 0 | 111.6 | A805 S806 C807 | E803-A805 VanDerWaalsContact C-N 3.34Å; E803-A805 PolarHBondContact O-N 3.34Å; E803-S806 PolarHBondContact O-N 3.05Å; E803-C807 WeakPolarHBondContact O-CB 3.34Å; E803-C807 PolarHBondContact O-N 3.03Å; E803-C807 PolarHBondContact O-SG 3.22Å |
| 804 | S | 89.5 | Confident | 91.2 | Very high | 20 Ų | 20 | 13.3 Ų | 13.3 | 14% | 0.14 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | C807 L808 | S804-C807 PolarHBondContact O-N 2.7Å; S804-L808 PolarHBondContact O-N 3.39Å |
| 805 | A | 91.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 2% | 0.017 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I793 V796 Y797 G801 P802 E803 L808 L809 | I793-A805 HydrophobicContact CG2-CB 4.16Å; V796-A805 HydrophobicContact CG1-CB 4.24Å; Y797-A805 HydrophobicContact CD2-CB 4.29Å; G801-A805 PolarHBondContact O-N 2.68Å; P802-A805 PolarHBondContact O-N 2.84Å; E803-A805 VanDerWaalsContact C-N 3.34Å; E803-A805 PolarHBondContact O-N 3.34Å; A805-L808 PolarHBondContact O-N 3.33Å; A805-L809 WeakPolarHBondContact O-CB 3.42Å; A805-L809 PolarHBondContact O-N 2.94Å |
| 806 | S | 90.9 | Very high | 91.2 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 8% | 0.077 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 176 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | P640 P802 E803 L809 N810 | P640-S806 WeakPolarHBondContact CB-OG 3.24Å; P802-S806 PolarHBondContact O-N 2.86Å; P802-S806 PolarHBondContact O-OG 3.18Å; E803-S806 PolarHBondContact O-N 3.05Å; S806-L809 PolarHBondContact O-N 3.35Å; S806-N810 WeakPolarHBondContact O-CB 3.49Å; S806-N810 PolarHBondContact O-N 3.29Å |
| 807 | C | 89.5 | Confident | 91.2 | Very high | 26 Ų | 26 | 14 Ų | 14 | 18% | 0.176 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 174.4 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | L730 E803 S804 N810 G811 | L730-C807 HydrophobicContact CD2-CB 3.68Å; E803-C807 WeakPolarHBondContact O-CB 3.34Å; E803-C807 PolarHBondContact O-N 3.03Å; E803-C807 PolarHBondContact O-SG 3.22Å; S804-C807 PolarHBondContact O-N 2.7Å; C807-N810 PolarHBondContact O-N 3.12Å; C807-G811 PolarHBondContact O-N 3.27Å |
| 808 | L | 91.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.9 | -47.2 | 175.1 | 178.6 | 61.7 | 0 | 0 | 0 | 111.9 | L726 L727 L730 L792 V796 S804 A805 N810 G811 I812 | L726-L808 HydrophobicContact CD2-CD1 4.04Å; L726-L808 HydrophobicContact CG-CD1 4.22Å; L727-L808 HydrophobicContact CD2-CD1 3.82Å; L727-L808 HydrophobicContact CD2-CD2 3.97Å; L730-L808 HydrophobicContact CD1-CB 3.87Å; L730-L808 HydrophobicContact CD1-CD1 3.59Å; L730-L808 HydrophobicContact CD1-CG 4.35Å; L792-L808 HydrophobicContact CG-CD2 4.48Å; V796-L808 HydrophobicContact CB-CD2 4.1Å; V796-L808 HydrophobicContact CG1-CD2 4.05Å; V796-L808 HydrophobicContact CG2-CD2 3.71Å; S804-L808 PolarHBondContact O-N 3.39Å; A805-L808 PolarHBondContact O-N 3.33Å; L808-N810 VanDerWaalsContact C-N 3.31Å; L808-N810 PolarHBondContact O-N 2.99Å; L808-G811 PolarHBondContact O-N 2.94Å; L808-I812 HydrophobicContact CD1-CD1 3.89Å; L808-I812 HydrophobicContact CD1-CG1 4.11Å; L808-I812 HydrophobicContact CG-CD1 3.99Å; L808-I812 WeakPolarHBondContact O-CG1 3.27Å; L808-I812 PolarHBondContact O-N 2.91Å |
| 809 | L | 92 | Very high | 91.3 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 177.4 | -175.7 | 79.2 | 0 | 0 | 0 | 111 | V474 A653 L655 I793 A805 S806 S813 | V474-L809 HydrophobicContact CB-CD2 4.15Å; V474-L809 HydrophobicContact CG1-CD2 3.73Å; V474-L809 HydrophobicContact CG2-CB 4.39Å; V474-L809 HydrophobicContact CG2-CD2 3.52Å; V474-L809 HydrophobicContact CG2-CG 3.89Å; A653-L809 HydrophobicContact CB-CD2 4.46Å; L655-L809 HydrophobicContact CD1-CD1 4.45Å; L655-L809 HydrophobicContact CD2-CD1 3.79Å; L655-L809 HydrophobicContact CD2-CG 4.07Å; L655-L809 HydrophobicContact CG-CD1 3.62Å; L655-L809 HydrophobicContact CG-CG 4.38Å; I793-L809 HydrophobicContact CD1-CB 4.26Å; I793-L809 HydrophobicContact CD1-CD1 3.29Å; I793-L809 HydrophobicContact CD1-CG 4.36Å; A805-L809 WeakPolarHBondContact O-CB 3.42Å; A805-L809 PolarHBondContact O-N 2.94Å; S806-L809 PolarHBondContact O-N 3.35Å; L809-S813 WeakPolarHBondContact O-CB 3.32Å; L809-S813 PolarHBondContact O-N 3.09Å |
| 810 | N | 91.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.032 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -46 | 175.6 | -171.2 | 14.8 | 0 | 0 | 0 | 112 | S473 V474 P688 S806 C807 L808 I812 S813 L814 | S473-N810 PolarHBondContact OG-ND2 3.2Å; V474-N810 HydrophobicContact CG2-CB 4.31Å; P688-N810 VanDerWaalsContact CG-ND2 3.29Å; P688-N810 WeakPolarHBondContact CG-ND2 3.35Å; S806-N810 WeakPolarHBondContact O-CB 3.49Å; S806-N810 PolarHBondContact O-N 3.29Å; C807-N810 PolarHBondContact O-N 3.12Å; L808-N810 VanDerWaalsContact C-N 3.31Å; L808-N810 PolarHBondContact O-N 2.99Å; N810-I812 PolarHBondContact O-N 3.39Å; N810-S813 WeakPolarHBondContact O-CB 3.13Å; N810-S813 PolarHBondContact O-N 2.93Å; N810-S813 VanDerWaalsContact O-N 3.09Å; N810-L814 WeakPolarHBondContact O-CG 3.3Å; N810-L814 PolarHBondContact O-N 3.14Å |
| 811 | G | 90.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A685 C807 L808 L815 | A685-G811 WeakPolarHBondContact O-CA 3.42Å; C807-G811 PolarHBondContact O-N 3.27Å; L808-G811 PolarHBondContact O-N 2.94Å; G811-L815 WeakPolarHBondContact O-CB 3.28Å; G811-L815 PolarHBondContact O-N 2.64Å |
| 812 | I | 93.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 174.6 | -62.9 | 171.5 | 0 | 0 | 0 | 110.9 | L655 L726 I785 L808 N810 L815 A816 | L655-I812 HydrophobicContact CD1-CB 3.87Å; L655-I812 HydrophobicContact CD1-CG2 3.49Å; L655-I812 VanDerWaalsContact CD1-CG2 3.49Å; L726-I812 HydrophobicContact CD2-CG1 3.86Å; I785-I812 HydrophobicContact CG2-CD1 4.03Å; L808-I812 HydrophobicContact CD1-CD1 3.89Å; L808-I812 HydrophobicContact CD1-CG1 4.11Å; L808-I812 HydrophobicContact CG-CD1 3.99Å; L808-I812 WeakPolarHBondContact O-CG1 3.27Å; L808-I812 PolarHBondContact O-N 2.91Å; N810-I812 PolarHBondContact O-N 3.39Å; I812-L815 PolarHBondContact O-N 3.31Å; I812-A816 VanDerWaalsContact O-CB 3.23Å; I812-A816 WeakPolarHBondContact O-CB 3.25Å; I812-A816 PolarHBondContact O-N 3.48Å |
| 813 | S | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -50 | 178.1 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | H603 H659 L809 N810 L815 A816 N817 | H603-S813 PolarHBondContact NE2-OG 3.02Å; H659-S813 PolarHBondContact CE1-OG 3.03Å; L809-S813 WeakPolarHBondContact O-CB 3.32Å; L809-S813 PolarHBondContact O-N 3.09Å; N810-S813 WeakPolarHBondContact O-CB 3.13Å; N810-S813 PolarHBondContact O-N 2.93Å; N810-S813 VanDerWaalsContact O-N 3.09Å; S813-L815 VanDerWaalsContact C-N 3.3Å; S813-L815 PolarHBondContact O-N 3.39Å; S813-A816 PolarHBondContact O-N 2.97Å; S813-N817 WeakPolarHBondContact O-CB 3.23Å; S813-N817 PolarHBondContact O-N 3.28Å |
| 814 | L | 92.2 | Very high | 91 | Very high | 26 Ų | 26 | 29.1 Ų | 29.1 | 14% | 0.136 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 177.9 | -67.7 | 176 | 0 | 0 | 0 | 111.5 | P688 N810 R818 | P688-L814 HydrophobicContact CG-CD1 3.97Å; N810-L814 WeakPolarHBondContact O-CG 3.3Å; N810-L814 PolarHBondContact O-N 3.14Å; L814-R818 WeakPolarHBondContact O-CB 3.29Å; L814-R818 PolarHBondContact O-N 3Å |
| 815 | L | 92.5 | Very high | 91 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 174.2 | 179.5 | 66.1 | 0 | 0 | 0 | 111.7 | L666 L681 A685 V722 I723 G811 I812 S813 R818 F819 | L666-L815 HydrophobicContact CD2-CD2 3.52Å; L666-L815 HydrophobicContact CD2-CG 3.94Å; L681-L815 HydrophobicContact CB-CD1 3.63Å; L681-L815 HydrophobicContact CD2-CD1 3.83Å; L681-L815 HydrophobicContact CG-CD1 4.2Å; A685-L815 HydrophobicContact CB-CB 4.14Å; V722-L815 HydrophobicContact CG1-CD1 3.74Å; V722-L815 HydrophobicContact CG1-CD2 3.95Å; I723-L815 HydrophobicContact CD1-CD2 3.56Å; G811-L815 WeakPolarHBondContact O-CB 3.28Å; G811-L815 PolarHBondContact O-N 2.64Å; I812-L815 PolarHBondContact O-N 3.31Å; S813-L815 VanDerWaalsContact C-N 3.3Å; S813-L815 PolarHBondContact O-N 3.39Å; L815-R818 PolarHBondContact O-N 3.12Å; L815-F819 WeakPolarHBondContact O-CB 3.3Å; L815-F819 PolarHBondContact O-N 3.09Å |
| 816 | A | 92.5 | Very high | 91 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | H659 A662 I812 S813 F819 L820 | H659-A816 HydrophobicContact CB-CB 4.25Å; A662-A816 HydrophobicContact CB-CB 3.72Å; I812-A816 VanDerWaalsContact O-CB 3.23Å; I812-A816 WeakPolarHBondContact O-CB 3.25Å; I812-A816 PolarHBondContact O-N 3.48Å; S813-A816 PolarHBondContact O-N 2.97Å; A816-F819 PolarHBondContact O-N 2.76Å; A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 2.82Å |
| 817 | N | 91.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.128 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.1 | -176.6 | 4.1 | 0 | 0 | 0 | 111.4 | N471 S813 F819 L820 K821 | N471-N817 PolarHBondContact OD1-ND2 3.34Å; S813-N817 WeakPolarHBondContact O-CB 3.23Å; S813-N817 PolarHBondContact O-N 3.28Å; N817-F819 VanDerWaalsContact C-N 3.32Å; N817-F819 PolarHBondContact O-N 3.16Å; N817-L820 PolarHBondContact O-N 3.12Å; N817-K821 PolarHBondContact O-N 3.2Å |
| 818 | R | 92.4 | Very high | 90.9 | Very high | 78 Ų | 78 | 39 Ų | 39 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 174 | -176.6 | 58.1 | 175 | 179.9 | -1.7 | 111.1 | D680 L681 H684 L814 L815 K821 F822 | D680-R818 IonicContact OD1-NE 3.74Å; D680-R818 IonicContact OD1-NH2 2.8Å; D680-R818 PolarHBondContact OD1-NH2 3.1Å; D680-R818 IonicContact OD2-CZ 2.83Å; D680-R818 IonicContact OD2-NE 2.8Å; D680-R818 PolarHBondContact OD2-NE 3.39Å; D680-R818 IonicContact OD2-NH2 2.74Å; D680-R818 PolarHBondContact OD2-NH2 3.29Å; L681-R818 HydrophobicContact CD2-CB 4.41Å; L681-R818 HydrophobicContact CD2-CG 3.99Å; H684-R818 HydrophobicContact CB-CG 4.49Å; L814-R818 WeakPolarHBondContact O-CB 3.29Å; L814-R818 PolarHBondContact O-N 3Å; L815-R818 PolarHBondContact O-N 3.12Å; R818-K821 WeakPolarHBondContact O-CB 3.34Å; R818-K821 PolarHBondContact O-N 2.79Å; R818-F822 HydrophobicContact CG-CE2 4Å; R818-F822 WeakPolarHBondContact O-CD2 3.47Å |
| 819 | F | 93 | Very high | 90.9 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 179.1 | -174.8 | -115.1 | 0 | 0 | 0 | 113.7 | A662 K665 L666 F673 L681 L815 A816 N817 K821 F822 I823 | A662-F819 HydrophobicContact CB-CD1 4.2Å; A662-F819 WeakPolarHBondContact O-CE1 3.17Å; K665-F819 HydrophobicContact CB-CE1 3.85Å; K665-F819 HydrophobicContact CB-CZ 4.46Å; L666-F819 HydrophobicContact CB-CD1 4.16Å; L666-F819 HydrophobicContact CB-CE1 3.92Å; L666-F819 HydrophobicContact CB-CZ 4.19Å; L666-F819 HydrophobicContact CD1-CD2 3.99Å; L666-F819 HydrophobicContact CD1-CE2 3.97Å; L666-F819 HydrophobicContact CD1-CG 4.31Å; L666-F819 HydrophobicContact CD1-CZ 4.22Å; F673-F819 HydrophobicContact CE1-CD2 4.3Å; F673-F819 AromaticContact CE1-CE2 3.84Å; F673-F819 HydrophobicContact CE1-CE2 3.84Å; F673-F819 HydrophobicContact CZ-CD2 4.18Å; F673-F819 AromaticContact CZ-CE2 3.57Å; F673-F819 HydrophobicContact CZ-CE2 3.57Å; F673-F819 HydrophobicContact CZ-CZ 4.38Å; L681-F819 HydrophobicContact CD2-CB 4.45Å; L815-F819 WeakPolarHBondContact O-CB 3.3Å; L815-F819 PolarHBondContact O-N 3.09Å; A816-F819 PolarHBondContact O-N 2.76Å; N817-F819 VanDerWaalsContact C-N 3.32Å; N817-F819 PolarHBondContact O-N 3.16Å; F819-K821 PolarHBondContact O-N 2.83Å; F819-F822 WeakPolarHBondContact O-CA 3.32Å; F819-F822 WeakPolarHBondContact O-CB 3.3Å; F819-F822 PolarHBondContact O-N 2.87Å; F819-I823 HydrophobicContact CE1-CD1 4Å; F819-I823 HydrophobicContact CE2-CD1 3.49Å; F819-I823 VanDerWaalsContact CE2-CD1 3.49Å; F819-I823 HydrophobicContact CE2-CG1 4.07Å; F819-I823 HydrophobicContact CZ-CD1 3.2Å; F819-I823 HydrophobicContact CZ-CG1 4.09Å; F819-I823 PolarHBondContact O-N 3.3Å |
| 820 | L | 91.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 176 | -76.3 | 166.5 | 0 | 0 | 0 | 112.1 | D658 A662 A816 N817 F822 A824 F825 | D658-L820 HydrophobicContact CB-CD1 3.8Å; A662-L820 HydrophobicContact CB-CD1 4.11Å; A662-L820 HydrophobicContact CB-CD2 3.98Å; A662-L820 HydrophobicContact CB-CG 3.77Å; A816-L820 WeakPolarHBondContact O-CG 3.4Å; A816-L820 PolarHBondContact O-N 2.82Å; N817-L820 PolarHBondContact O-N 3.12Å; L820-F822 PolarHBondContact O-N 2.87Å; L820-A824 WeakPolarHBondContact O-CA 3.47Å; L820-A824 PolarHBondContact O-N 3.36Å; L820-F825 HydrophobicContact CD2-CB 4.43Å |
| 821 | K | 89.6 | Confident | 90.9 | Very high | 143 Ų | 143 | 49.5 Ų | 49.5 | 62% | 0.622 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.4 | -22.7 | 173 | -65.7 | 173.4 | -176.5 | 176.9 | 0 | 113.1 | N817 R818 F819 | N817-K821 PolarHBondContact O-N 3.2Å; R818-K821 WeakPolarHBondContact O-CB 3.34Å; R818-K821 PolarHBondContact O-N 2.79Å; F819-K821 PolarHBondContact O-N 2.83Å |
| 822 | F | 87 | Confident | 90.9 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -82.4 | -45.4 | 175.9 | -75.3 | -78.1 | 0 | 0 | 0 | 113.3 | L681 R818 F819 L820 | L681-F822 HydrophobicContact CD2-CD2 4.4Å; L681-F822 HydrophobicContact CD2-CE2 4.05Å; R818-F822 HydrophobicContact CG-CE2 4Å; R818-F822 WeakPolarHBondContact O-CD2 3.47Å; F819-F822 WeakPolarHBondContact O-CA 3.32Å; F819-F822 WeakPolarHBondContact O-CB 3.3Å; F819-F822 PolarHBondContact O-N 2.87Å; L820-F822 PolarHBondContact O-N 2.87Å |
| 823 | I | 85.7 | Confident | 90.9 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 33% | 0.333 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -106.2 | -23.3 | -168.5 | -60.9 | -168.9 | 0 | 0 | 0 | 113.5 | F819 | F819-I823 HydrophobicContact CE1-CD1 4Å; F819-I823 HydrophobicContact CE2-CD1 3.49Å; F819-I823 VanDerWaalsContact CE2-CD1 3.49Å; F819-I823 HydrophobicContact CE2-CG1 4.07Å; F819-I823 HydrophobicContact CZ-CD1 3.2Å; F819-I823 HydrophobicContact CZ-CG1 4.09Å; F819-I823 PolarHBondContact O-N 3.3Å |
| 824 | A | 87.7 | Confident | 90.8 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 53% | 0.529 | 28% | 0.279 | S | S | . | . | trans | 53.5 | 171.1 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L820 | L820-A824 WeakPolarHBondContact O-CA 3.47Å; L820-A824 PolarHBondContact O-N 3.36Å | ||
| 825 | F | 90.5 | Very high | 90.8 | Very high | 52 Ų | 52 | 54.4 Ų | 54.4 | 23% | 0.228 | 29% | 0.285 | C | S | . | . | trans | -145.1 | 137.6 | 174.4 | -178.2 | -101.1 | 0 | 0 | 0 | 109.6 | I661 L820 N929 L932 M933 | I661-F825 HydrophobicContact CD1-CD1 3.93Å; I661-F825 HydrophobicContact CD1-CE1 3.56Å; I661-F825 HydrophobicContact CD1-CE2 4.37Å; I661-F825 HydrophobicContact CD1-CG 4.49Å; I661-F825 HydrophobicContact CD1-CZ 3.8Å; I661-F825 HydrophobicContact CG2-CD1 4.42Å; I661-F825 HydrophobicContact CG2-CD2 3.48Å; I661-F825 VanDerWaalsContact CG2-CD2 3.48Å; I661-F825 HydrophobicContact CG2-CE1 4.49Å; I661-F825 HydrophobicContact CG2-CE2 3.55Å; I661-F825 HydrophobicContact CG2-CG 3.94Å; I661-F825 HydrophobicContact CG2-CZ 4.08Å; L820-F825 HydrophobicContact CD2-CB 4.43Å; F825-N929 HydrophobicContact CE2-CB 3.78Å; F825-N929 WeakPolarHBondContact CE2-OD1 3.36Å; F825-N929 HydrophobicContact CZ-CB 3.7Å; F825-L932 HydrophobicContact CE2-CD2 4.33Å; F825-M933 HydrophobicContact CE1-CG 4Å; F825-M933 HydrophobicContact CE1-SD 3.75Å; F825-M933 HydrophobicContact CZ-CG 3.74Å; F825-M933 HydrophobicContact CZ-SD 4.04Å | ||
| 826 | T | 91.2 | Very high | 90.8 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 64% | 0.638 | 32% | 0.316 | S | S | * | . | trans | -150 | 148.6 | -178.9 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | N929 | T826-N929 WeakPolarHBondContact O-CB 3.46Å; T826-N929 PolarHBondContact O-ND2 3.15Å | ||
| 827 | M | 89.5 | Confident | 90.7 | Very high | 82 Ų | 82 | 71 Ų | 71 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | trans | -113.9 | 130.3 | 169.4 | -177.4 | -171.8 | 66.7 | 0 | 0 | 108.2 | D831 L930 M933 | M827-D831 HydrophobicContact CG-CB 4.31Å; M827-L930 HydrophobicContact CG-CB 4.38Å; M827-L930 HydrophobicContact SD-CB 3.98Å; M827-L930 HydrophobicContact SD-CD1 3.85Å; M827-L930 HydrophobicContact SD-CG 4.4Å; M827-M933 HydrophobicContact CB-CE 4.2Å; M827-M933 HydrophobicContact CG-CE 4.19Å; M827-M933 HydrophobicContact SD-CE 3.54Å; M827-M933 VanDerWaalsContact SD-CE 3.54Å | ||
| 828 | G | 89.4 | Confident | 90.7 | Very high | 29 Ų | 29 | 70.2 Ų | 70.2 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | trans | -115.2 | 173.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K830 D831 | G828-K830 PolarHBondContact O-N 2.93Å; G828-D831 PolarHBondContact N-OD2 3.44Å; G828-D831 WeakPolarHBondContact O-CB 2.91Å; G828-D831 PolarHBondContact O-N 2.97Å; G828-D831 VanDerWaalsContact O-N 3.14Å | ||
| 829 | L | 91.1 | Very high | 90.7 | Very high | 111 Ų | 111 | 67.9 Ų | 67.9 | 58% | 0.581 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -58 | -35.1 | 175.6 | -166.7 | 66.2 | 0 | 0 | 0 | 112.2 | D831 I832 L833 L992 | L829-D831 PolarHBondContact O-N 3.4Å; L829-D831 VanDerWaalsContact O-N 3.14Å; L829-I832 PolarHBondContact O-N 2.79Å; L829-L833 PolarHBondContact O-N 3.2Å; L829-L992 HydrophobicContact CD1-CD1 3.43Å; L829-L992 VanDerWaalsContact CD1-CD1 3.43Å; L829-L992 HydrophobicContact CG-CD1 4.27Å |
| 830 | K | 91.9 | Very high | 90.6 | Very high | 118 Ų | 118 | 72.8 Ų | 72.8 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.7 | 178.2 | 69.6 | 173.9 | -174 | 171.2 | 0 | 114 | G828 I832 Y922 V923 | G828-K830 PolarHBondContact O-N 2.93Å; K830-I832 VanDerWaalsContact C-N 3.26Å; K830-I832 PolarHBondContact O-N 3.34Å; K830-Y922 HydrophobicContact CB-CD1 4.42Å; K830-V923 HydrophobicContact CB-CG2 4.36Å; K830-V923 HydrophobicContact CD-CG2 4.25Å; K830-V923 HydrophobicContact CG-CG2 4.26Å |
| 831 | D | 91.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -77.1 | -17.5 | -177.7 | -60.1 | -41.1 | 0 | 0 | 0 | 111.7 | M827 G828 L829 N928 L930 | M827-D831 HydrophobicContact CG-CB 4.31Å; G828-D831 PolarHBondContact N-OD2 3.44Å; G828-D831 WeakPolarHBondContact O-CB 2.91Å; G828-D831 PolarHBondContact O-N 2.97Å; G828-D831 VanDerWaalsContact O-N 3.14Å; L829-D831 PolarHBondContact O-N 3.4Å; L829-D831 VanDerWaalsContact O-N 3.14Å; D831-N928 PolarHBondContact O-ND2 2.96Å; D831-N928 PolarHBondContact O-OD1 3.05Å; D831-L930 HydrophobicContact CB-CB 4.08Å |
| 832 | I | 91.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 9% | 0.087 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -25.4 | -178.9 | -56.3 | 162 | 0 | 0 | 0 | 111.2 | L829 K830 L930 M948 S949 L992 | L829-I832 PolarHBondContact O-N 2.79Å; K830-I832 VanDerWaalsContact C-N 3.26Å; K830-I832 PolarHBondContact O-N 3.34Å; I832-L930 HydrophobicContact CG1-CD2 3.95Å; I832-M948 HydrophobicContact CD1-CE 3.5Å; I832-M948 HydrophobicContact CG1-CE 3.89Å; I832-M948 HydrophobicContact CG2-CB 4Å; I832-S949 WeakPolarHBondContact O-CB 3.42Å; I832-S949 PolarHBondContact O-OG 3.28Å; I832-L992 HydrophobicContact CG2-CB 4.39Å; I832-L992 HydrophobicContact CG2-CD2 4.38Å |
| 833 | L | 92.7 | Very high | 90.7 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 142.5 | -175.2 | -66.4 | 177.9 | 0 | 0 | 0 | 112.5 | L829 Y922 L992 | L829-L833 PolarHBondContact O-N 3.2Å; L833-Y922 HydrophobicContact CB-CG 4.48Å; L833-Y922 WeakPolarHBondContact O-CB 3.28Å; L833-Y922 PolarHBondContact O-N 3.31Å; L833-L992 HydrophobicContact CD2-CD1 4.47Å; L833-L992 HydrophobicContact CD2-CD2 3.71Å |
| 834 | L | 92.2 | Very high | 91 | Very high | 17 Ų | 17 | 71.2 Ų | 71.2 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 152.9 | 166.3 | -62.6 | -178.9 | 0 | 0 | 0 | 110.1 | A838 D839 A916 G920 L921 S949 | L834-A838 HydrophobicContact CB-CB 4.4Å; L834-D839 HydrophobicContact CB-CB 4.36Å; L834-A916 HydrophobicContact CD1-CB 4.18Å; L834-A916 HydrophobicContact CD2-CB 4.15Å; L834-G920 CarbonylContact C-O 3.53Å; L834-G920 WeakPolarHBondContact CA-O 3.44Å; L834-L921 HydrophobicContact CD2-CD2 4.01Å; L834-S949 WeakPolarHBondContact CD1-O 3.28Å |
| 835 | S | 91.9 | Very high | 91 | Very high | 36 Ų | 36 | 72 Ų | 72 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 150.2 | 165.1 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | R837 A838 D839 G920 | S835-R837 VanDerWaalsContact C-N 3.28Å; S835-R837 PolarHBondContact O-N 3.31Å; S835-A838 PolarHBondContact O-N 2.81Å; S835-A838 VanDerWaalsContact OG-CB 3.27Å; S835-A838 WeakPolarHBondContact OG-CB 3.43Å; S835-A838 PolarHBondContact OG-N 3.15Å; S835-D839 PolarHBondContact O-N 3.44Å; S835-G920 PolarHBondContact N-O 3.25Å; S835-G920 PolarHBondContact OG-O 3.45Å |
| 836 | H | 91.4 | Very high | 90.9 | Very high | 143 Ų | 143 | 70.5 Ų | 70.5 | 66% | 0.662 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -52.8 | -46.4 | -179 | -170.7 | -86 | 0 | 0 | 0 | 112.2 | A838 D839 E840 | H836-A838 VanDerWaalsContact C-N 3.34Å; H836-A838 PolarHBondContact O-N 3.5Å; H836-D839 PolarHBondContact O-N 2.7Å; H836-E840 IonicContact CE1-OE1 2.7Å; H836-E840 PolarHBondContact CE1-OE1 3.49Å; H836-E840 IonicContact CE1-OE2 3.03Å; H836-E840 VanDerWaalsContact ND1-CD 3.27Å; H836-E840 IonicContact ND1-OE1 2.94Å; H836-E840 PolarHBondContact ND1-OE1 3.09Å; H836-E840 IonicContact ND1-OE2 3.94Å; H836-E840 PolarHBondContact ND1-OE2 3.02Å; H836-E840 WeakPolarHBondContact O-CG 2.95Å; H836-E840 PolarHBondContact O-N 3.38Å |
| 837 | R | 91.9 | Very high | 90.7 | Very high | 210 Ų | 210 | 68.9 Ų | 68.9 | 79% | 0.792 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 177.9 | -177.9 | -179.1 | 176.4 | -178.7 | -0.3 | 112.6 | S835 E841 | S835-R837 VanDerWaalsContact C-N 3.28Å; S835-R837 PolarHBondContact O-N 3.31Å; R837-E841 WeakPolarHBondContact O-CB 3.42Å; R837-E841 PolarHBondContact O-N 3.12Å; R837-E841 VanDerWaalsContact O-N 3.1Å |
| 838 | A | 91.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.5 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | L834 S835 H836 E841 R842 G920 | L834-A838 HydrophobicContact CB-CB 4.4Å; S835-A838 PolarHBondContact O-N 2.81Å; S835-A838 VanDerWaalsContact OG-CB 3.27Å; S835-A838 WeakPolarHBondContact OG-CB 3.43Å; S835-A838 PolarHBondContact OG-N 3.15Å; H836-A838 VanDerWaalsContact C-N 3.34Å; H836-A838 PolarHBondContact O-N 3.5Å; A838-E841 PolarHBondContact O-N 3.31Å; A838-R842 VanDerWaalsContact O-CB 3.27Å; A838-R842 WeakPolarHBondContact O-CB 3.49Å; A838-R842 PolarHBondContact O-N 2.94Å; A838-G920 VanDerWaalsContact CB-O 3.3Å; A838-G920 WeakPolarHBondContact CB-O 3.29Å |
| 839 | D | 91.3 | Very high | 90.1 | Very high | 29 Ų | 29 | 68.7 Ų | 68.7 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69 | -40 | 176 | -156.8 | 69.1 | 0 | 0 | 0 | 111.8 | L834 S835 H836 R842 Q843 R990 | L834-D839 HydrophobicContact CB-CB 4.36Å; S835-D839 PolarHBondContact O-N 3.44Å; H836-D839 PolarHBondContact O-N 2.7Å; D839-R842 WeakPolarHBondContact O-CB 3.48Å; D839-R842 PolarHBondContact O-N 3.44Å; D839-R842 IonicContact OD1-CZ 3.67Å; D839-R842 IonicContact OD1-NH1 3.31Å; D839-R842 PolarHBondContact OD1-NH1 3.22Å; D839-R842 IonicContact OD2-NH1 2.78Å; D839-Q843 VanDerWaalsContact O-CG 3.3Å; D839-Q843 WeakPolarHBondContact O-CG 3.41Å; D839-Q843 PolarHBondContact O-N 3.42Å; D839-Q843 PolarHBondContact OD2-NE2 3.47Å; D839-R990 IonicContact OD1-CZ 2.76Å; D839-R990 VanDerWaalsContact OD1-CZ 3.29Å; D839-R990 IonicContact OD1-NH1 3.35Å; D839-R990 PolarHBondContact OD1-NH1 2.88Å; D839-R990 IonicContact OD1-NH2 3.1Å; D839-R990 PolarHBondContact OD1-NH2 3.44Å; D839-R990 IonicContact OD2-NH2 2.62Å |
| 840 | E | 91.4 | Very high | 89.6 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 171.9 | -73.9 | 177 | 140.2 | 0 | 0 | 111.7 | H836 R842 Q843 R844 | H836-E840 IonicContact CE1-OE1 2.7Å; H836-E840 PolarHBondContact CE1-OE1 3.49Å; H836-E840 IonicContact CE1-OE2 3.03Å; H836-E840 VanDerWaalsContact ND1-CD 3.27Å; H836-E840 IonicContact ND1-OE1 2.94Å; H836-E840 PolarHBondContact ND1-OE1 3.09Å; H836-E840 IonicContact ND1-OE2 3.94Å; H836-E840 PolarHBondContact ND1-OE2 3.02Å; H836-E840 WeakPolarHBondContact O-CG 2.95Å; H836-E840 PolarHBondContact O-N 3.38Å; E840-R842 PolarHBondContact O-N 3.38Å; E840-Q843 PolarHBondContact O-N 3.16Å; E840-R844 WeakPolarHBondContact O-CB 3.26Å; E840-R844 PolarHBondContact O-N 2.7Å |
| 841 | E | 89.9 | Confident | 89.2 | Confident | 49 Ų | 49 | 69 Ų | 69 | 23% | 0.229 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.1 | -40 | 178.6 | -179 | 62.4 | -172.9 | 0 | 0 | 111.9 | R837 A838 R844 R845 | R837-E841 WeakPolarHBondContact O-CB 3.42Å; R837-E841 PolarHBondContact O-N 3.12Å; R837-E841 VanDerWaalsContact O-N 3.1Å; A838-E841 PolarHBondContact O-N 3.31Å; E841-R844 VanDerWaalsContact CD-NH2 3.33Å; E841-R844 PolarHBondContact O-N 2.9Å; E841-R844 IonicContact OE1-CZ 2.7Å; E841-R844 IonicContact OE1-NE 3.26Å; E841-R844 IonicContact OE1-NH2 2.84Å; E841-R844 PolarHBondContact OE1-NH2 3.36Å; E841-R844 IonicContact OE2-CZ 3.33Å; E841-R844 IonicContact OE2-NE 2.71Å; E841-R844 PolarHBondContact OE2-NE 2.87Å; E841-R844 IonicContact OE2-NH2 3.12Å; E841-R844 PolarHBondContact OE2-NH2 3.3Å; E841-R844 VanDerWaalsContact OE2-NH2 3.11Å; E841-R845 WeakPolarHBondContact O-CG 3.36Å; E841-R845 PolarHBondContact O-N 3.29Å; E841-R845 IonicContact OE1-CZ 3.01Å; E841-R845 IonicContact OE1-NE 3.66Å; E841-R845 PolarHBondContact OE1-NE 2.84Å; E841-R845 IonicContact OE1-NH2 2.94Å; E841-R845 PolarHBondContact OE1-NH2 3.12Å |
| 842 | R | 91.8 | Very high | 88.9 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.5 | -52.6 | 171.8 | 169.2 | -166.4 | 156.1 | -109.7 | -11.2 | 110.8 | A838 D839 E840 R844 R845 F846 V912 V950 T988 | A838-R842 VanDerWaalsContact O-CB 3.27Å; A838-R842 WeakPolarHBondContact O-CB 3.49Å; A838-R842 PolarHBondContact O-N 2.94Å; D839-R842 WeakPolarHBondContact O-CB 3.48Å; D839-R842 PolarHBondContact O-N 3.44Å; D839-R842 IonicContact OD1-CZ 3.67Å; D839-R842 IonicContact OD1-NH1 3.31Å; D839-R842 PolarHBondContact OD1-NH1 3.22Å; D839-R842 IonicContact OD2-NH1 2.78Å; E840-R842 PolarHBondContact O-N 3.38Å; R842-R844 VanDerWaalsContact C-N 3.32Å; R842-R844 PolarHBondContact O-N 3.22Å; R842-R845 PolarHBondContact O-N 3.48Å; R842-F846 HydrophobicContact CG-CD2 3.7Å; R842-F846 HydrophobicContact CG-CE2 3.51Å; R842-F846 VanDerWaalsContact O-CD2 3.31Å; R842-F846 WeakPolarHBondContact O-CD2 3.33Å; R842-F846 PolarHBondContact O-N 3.43Å; R842-V912 HydrophobicContact CB-CG1 4.38Å; R842-V912 HydrophobicContact CG-CG1 4.11Å; R842-V950 PolarHBondContact NE-O 3.39Å; R842-T988 PolarHBondContact NH2-O 2.99Å |
| 843 | Q | 89.1 | Confident | 88.6 | Confident | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 179.9 | -70.7 | 179.7 | 20.3 | 0 | 0 | 111.9 | D839 E840 F846 S847 | D839-Q843 VanDerWaalsContact O-CG 3.3Å; D839-Q843 WeakPolarHBondContact O-CG 3.41Å; D839-Q843 PolarHBondContact O-N 3.42Å; D839-Q843 PolarHBondContact OD2-NE2 3.47Å; E840-Q843 PolarHBondContact O-N 3.16Å; Q843-F846 PolarHBondContact O-N 2.71Å; Q843-S847 PolarHBondContact O-N 3.32Å; Q843-S847 PolarHBondContact O-OG 3.03Å |
| 844 | R | 90.9 | Very high | 88.3 | Confident | 134 Ų | 134 | 70.5 Ų | 70.5 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.3 | -168.5 | -175.9 | 73.6 | 86.7 | 1.4 | 111.7 | E840 E841 R842 S847 N848 | E840-R844 WeakPolarHBondContact O-CB 3.26Å; E840-R844 PolarHBondContact O-N 2.7Å; E841-R844 VanDerWaalsContact CD-NH2 3.33Å; E841-R844 PolarHBondContact O-N 2.9Å; E841-R844 IonicContact OE1-CZ 2.7Å; E841-R844 IonicContact OE1-NE 3.26Å; E841-R844 IonicContact OE1-NH2 2.84Å; E841-R844 PolarHBondContact OE1-NH2 3.36Å; E841-R844 IonicContact OE2-CZ 3.33Å; E841-R844 IonicContact OE2-NE 2.71Å; E841-R844 PolarHBondContact OE2-NE 2.87Å; E841-R844 IonicContact OE2-NH2 3.12Å; E841-R844 PolarHBondContact OE2-NH2 3.3Å; E841-R844 VanDerWaalsContact OE2-NH2 3.11Å; R842-R844 VanDerWaalsContact C-N 3.32Å; R842-R844 PolarHBondContact O-N 3.22Å; R844-S847 WeakPolarHBondContact O-CB 3.47Å; R844-S847 PolarHBondContact O-N 3.4Å; R844-N848 PolarHBondContact O-N 3.06Å |
| 845 | R | 89.6 | Confident | 88 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 179.1 | -71.5 | -179.8 | -175.9 | -137.9 | -4.7 | 112.6 | E841 R842 S847 N848 A911 V912 | E841-R845 WeakPolarHBondContact O-CG 3.36Å; E841-R845 PolarHBondContact O-N 3.29Å; E841-R845 IonicContact OE1-CZ 3.01Å; E841-R845 IonicContact OE1-NE 3.66Å; E841-R845 PolarHBondContact OE1-NE 2.84Å; E841-R845 IonicContact OE1-NH2 2.94Å; E841-R845 PolarHBondContact OE1-NH2 3.12Å; R842-R845 PolarHBondContact O-N 3.48Å; R845-S847 VanDerWaalsContact C-N 3.29Å; R845-S847 PolarHBondContact O-N 2.87Å; R845-N848 WeakPolarHBondContact O-CB 3.5Å; R845-N848 PolarHBondContact O-N 3.48Å; R845-A911 PolarHBondContact NH1-O 3.45Å; R845-V912 HydrophobicContact CB-CG2 3.61Å; R845-V912 HydrophobicContact CG-CG2 4.4Å |
| 846 | F | 87.7 | Confident | 87.8 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -32.8 | 176.2 | -76.1 | -47.5 | 0 | 0 | 0 | 113 | R842 Q843 N848 L849 V912 V950 A951 M986 T988 | R842-F846 HydrophobicContact CG-CD2 3.7Å; R842-F846 HydrophobicContact CG-CE2 3.51Å; R842-F846 VanDerWaalsContact O-CD2 3.31Å; R842-F846 WeakPolarHBondContact O-CD2 3.33Å; R842-F846 PolarHBondContact O-N 3.43Å; Q843-F846 PolarHBondContact O-N 2.71Å; F846-N848 PolarHBondContact O-N 2.94Å; F846-L849 HydrophobicContact CD1-CD1 3.55Å; F846-L849 HydrophobicContact CD1-CG 4.29Å; F846-L849 HydrophobicContact CE1-CD1 4.21Å; F846-L849 WeakPolarHBondContact O-CB 3.17Å; F846-L849 WeakPolarHBondContact O-CG 3.48Å; F846-L849 PolarHBondContact O-N 3.04Å; F846-L849 VanDerWaalsContact O-N 3.14Å; F846-V912 HydrophobicContact CD1-CG2 4.45Å; F846-V912 HydrophobicContact CE1-CB 4.48Å; F846-V912 HydrophobicContact CE1-CG1 4.35Å; F846-V912 HydrophobicContact CE1-CG2 4.15Å; F846-V912 HydrophobicContact CE2-CG1 3.9Å; F846-V912 HydrophobicContact CZ-CB 4.29Å; F846-V912 HydrophobicContact CZ-CG1 3.75Å; F846-V912 HydrophobicContact CZ-CG2 4.37Å; F846-V950 HydrophobicContact CZ-CG1 4.44Å; F846-A951 HydrophobicContact CE1-CB 4.33Å; F846-A951 HydrophobicContact CE2-CB 3.82Å; F846-A951 HydrophobicContact CZ-CB 3.41Å; F846-A951 VanDerWaalsContact CZ-CB 3.41Å; F846-M986 HydrophobicContact CE1-CE 4.26Å; F846-T988 HydrophobicContact CD1-CG2 4.13Å; F846-T988 HydrophobicContact CG-CG2 4.33Å |
| 847 | S | 85.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.3 | -30.7 | 174.6 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | Q843 R844 R845 L849 | Q843-S847 PolarHBondContact O-N 3.32Å; Q843-S847 PolarHBondContact O-OG 3.03Å; R844-S847 WeakPolarHBondContact O-CB 3.47Å; R844-S847 PolarHBondContact O-N 3.4Å; R845-S847 VanDerWaalsContact C-N 3.29Å; R845-S847 PolarHBondContact O-N 2.87Å; S847-L849 VanDerWaalsContact C-N 3.28Å; S847-L849 PolarHBondContact O-N 3.36Å |
| 848 | N | 84.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -77 | -8.4 | 178.1 | -62.3 | -16.7 | 0 | 0 | 0 | 113.7 | R844 R845 F846 K850 | R844-N848 PolarHBondContact O-N 3.06Å; R845-N848 WeakPolarHBondContact O-CB 3.5Å; R845-N848 PolarHBondContact O-N 3.48Å; F846-N848 PolarHBondContact O-N 2.94Å; N848-K850 PolarHBondContact O-N 3.41Å |
| 849 | L | 83.7 | Confident | 87 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -69.6 | -20.3 | 180 | -66.7 | -177.3 | 0 | 0 | 0 | 113.5 | F846 S847 D851 L852 L905 A908 P981 M986 T988 | F846-L849 HydrophobicContact CD1-CD1 3.55Å; F846-L849 HydrophobicContact CD1-CG 4.29Å; F846-L849 HydrophobicContact CE1-CD1 4.21Å; F846-L849 WeakPolarHBondContact O-CB 3.17Å; F846-L849 WeakPolarHBondContact O-CG 3.48Å; F846-L849 PolarHBondContact O-N 3.04Å; F846-L849 VanDerWaalsContact O-N 3.14Å; S847-L849 VanDerWaalsContact C-N 3.28Å; S847-L849 PolarHBondContact O-N 3.36Å; L849-D851 PolarHBondContact O-N 3.27Å; L849-D851 VanDerWaalsContact O-N 3.12Å; L849-L852 HydrophobicContact CB-CD1 4.42Å; L849-L852 HydrophobicContact CD2-CD1 3.41Å; L849-L852 VanDerWaalsContact CD2-CD1 3.41Å; L849-L852 HydrophobicContact CG-CD1 4.49Å; L849-L852 WeakPolarHBondContact O-CB 3.48Å; L849-L852 PolarHBondContact O-N 2.78Å; L849-L852 VanDerWaalsContact O-N 3.11Å; L849-L905 HydrophobicContact CD2-CD2 4.43Å; L849-A908 HydrophobicContact CD2-CB 3.49Å; L849-A908 VanDerWaalsContact CD2-CB 3.49Å; L849-P981 HydrophobicContact CB-CG 4.5Å; L849-P981 WeakPolarHBondContact O-CG 3.49Å; L849-M986 HydrophobicContact CD1-CE 4.05Å; L849-M986 HydrophobicContact CD1-CG 4.32Å; L849-T988 HydrophobicContact CD1-CG2 4.44Å |
| 850 | K | 80 | Confident | 86.6 | Confident | 132 Ų | 132 | 58.5 Ų | 58.5 | 57% | 0.574 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -54.7 | -36.8 | -170.3 | -68.4 | 177.6 | -177.4 | 175 | 0 | 113 | N848 | N848-K850 PolarHBondContact O-N 3.41Š|
| 851 | D | 83.1 | Confident | 86.2 | Confident | 103 Ų | 103 | 54.6 Ų | 54.6 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -89.1 | -15.3 | -173.8 | -55.1 | -30.7 | 0 | 0 | 0 | 112.9 | L849 G853 L854 C855 | L849-D851 PolarHBondContact O-N 3.27Å; L849-D851 VanDerWaalsContact O-N 3.12Å; D851-G853 VanDerWaalsContact C-N 3.28Å; D851-G853 PolarHBondContact O-N 3.41Å; D851-L854 PolarHBondContact O-N 2.91Å; D851-L854 VanDerWaalsContact O-N 3.14Å; D851-C855 PolarHBondContact O-N 3.15Å; D851-C855 PolarHBondContact O-SG 3.25Å |
| 852 | L | 85.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -36 | -177.7 | -69.9 | 176 | 0 | 0 | 0 | 112.8 | L849 C855 A856 L905 A908 | L849-L852 HydrophobicContact CB-CD1 4.42Å; L849-L852 HydrophobicContact CD2-CD1 3.41Å; L849-L852 VanDerWaalsContact CD2-CD1 3.41Å; L849-L852 HydrophobicContact CG-CD1 4.49Å; L849-L852 WeakPolarHBondContact O-CB 3.48Å; L849-L852 PolarHBondContact O-N 2.78Å; L849-L852 VanDerWaalsContact O-N 3.11Å; L852-C855 PolarHBondContact O-N 3.03Å; L852-A856 WeakPolarHBondContact O-CB 3.5Å; L852-A856 PolarHBondContact O-N 3.41Å; L852-L905 HydrophobicContact CD1-CD2 4.36Å; L852-A908 HydrophobicContact CD1-CB 3.85Å |
| 853 | G | 85.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D851 A856 F857 V979 | D851-G853 VanDerWaalsContact C-N 3.28Å; D851-G853 PolarHBondContact O-N 3.41Å; G853-A856 PolarHBondContact O-N 2.95Å; G853-F857 WeakPolarHBondContact O-CB 3.37Å; G853-F857 PolarHBondContact O-N 3.44Å; G853-V979 VanDerWaalsContact O-CG1 3.3Å; G853-V979 WeakPolarHBondContact O-CG1 3.19Å |
| 854 | L | 86 | Confident | 84.7 | Confident | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.8 | -68.3 | 172.5 | 0 | 0 | 0 | 111.6 | D851 F857 A858 | D851-L854 PolarHBondContact O-N 2.91Å; D851-L854 VanDerWaalsContact O-N 3.14Å; L854-F857 WeakPolarHBondContact O-CB 3.46Å; L854-F857 PolarHBondContact O-N 3.26Å; L854-A858 PolarHBondContact O-N 3.43Å |
| 855 | C | 86.3 | Confident | 83.9 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | D851 L852 F857 A858 D859 | D851-C855 PolarHBondContact O-N 3.15Å; D851-C855 PolarHBondContact O-SG 3.25Å; L852-C855 PolarHBondContact O-N 3.03Å; C855-F857 VanDerWaalsContact C-N 3.3Å; C855-A858 PolarHBondContact O-N 3.14Å; C855-D859 PolarHBondContact O-N 3.43Å; C855-D859 VanDerWaalsContact O-N 3.15Å |
| 856 | A | 86.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L852 G853 T860 A900 I901 | L852-A856 WeakPolarHBondContact O-CB 3.5Å; L852-A856 PolarHBondContact O-N 3.41Å; G853-A856 PolarHBondContact O-N 2.95Å; A856-T860 WeakPolarHBondContact O-CB 3.48Å; A856-T860 PolarHBondContact O-N 2.76Å; A856-T860 VanDerWaalsContact O-N 3.07Å; A856-T860 PolarHBondContact O-OG1 3.04Å; A856-A900 HydrophobicContact CB-CB 4.35Å; A856-I901 HydrophobicContact CB-CB 4.32Å; A856-I901 HydrophobicContact CB-CG1 3.44Å; A856-I901 VanDerWaalsContact CB-CG1 3.44Å |
| 857 | F | 88.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 174.1 | -166.2 | -86.2 | 0 | 0 | 0 | 111.9 | G853 L854 C855 D859 T860 F861 L863 L868 V873 L876 Y877 L897 V979 | G853-F857 WeakPolarHBondContact O-CB 3.37Å; G853-F857 PolarHBondContact O-N 3.44Å; L854-F857 WeakPolarHBondContact O-CB 3.46Å; L854-F857 PolarHBondContact O-N 3.26Å; C855-F857 VanDerWaalsContact C-N 3.3Å; F857-D859 VanDerWaalsContact C-N 3.33Å; F857-D859 PolarHBondContact O-N 2.92Å; F857-T860 PolarHBondContact O-N 2.93Å; F857-F861 AromaticContact CD1-CD2 3.87Å; F857-F861 HydrophobicContact CD1-CD2 3.87Å; F857-F861 HydrophobicContact CD1-CE2 4.46Å; F857-F861 AromaticContact CD2-CD2 3.9Å; F857-F861 HydrophobicContact CD2-CD2 3.9Å; F857-F861 AromaticContact CD2-CE2 3.73Å; F857-F861 HydrophobicContact CD2-CE2 3.73Å; F857-F861 AromaticContact CE1-CD2 3.69Å; F857-F861 HydrophobicContact CE1-CD2 3.69Å; F857-F861 HydrophobicContact CE1-CE2 4.13Å; F857-F861 HydrophobicContact CE1-CG 4.15Å; F857-F861 AromaticContact CE2-CD2 3.73Å; F857-F861 HydrophobicContact CE2-CD2 3.73Å; F857-F861 AromaticContact CE2-CE2 3.33Å; F857-F861 HydrophobicContact CE2-CE2 3.33Å; F857-F861 HydrophobicContact CE2-CZ 4.08Å; F857-F861 AromaticContact CG-CD2 3.96Å; F857-F861 HydrophobicContact CG-CD2 3.96Å; F857-F861 HydrophobicContact CG-CE2 4.28Å; F857-F861 AromaticContact CZ-CD2 3.62Å; F857-F861 HydrophobicContact CZ-CD2 3.62Å; F857-F861 AromaticContact CZ-CE2 3.55Å; F857-F861 HydrophobicContact CZ-CE2 3.55Å; F857-F861 HydrophobicContact CZ-CG 4.25Å; F857-F861 HydrophobicContact CZ-CZ 4.13Å; F857-F861 WeakPolarHBondContact O-CD2 3.49Å; F857-F861 PolarHBondContact O-N 2.87Å; F857-L863 HydrophobicContact CD1-CD1 4.11Å; F857-L863 HydrophobicContact CE1-CD1 3.9Å; F857-L868 HydrophobicContact CD1-CD2 4.14Å; F857-V873 HydrophobicContact CD1-CG1 4.36Å; F857-V873 HydrophobicContact CD1-CG2 4.23Å; F857-V873 HydrophobicContact CD2-CG1 4.44Å; F857-V873 HydrophobicContact CE1-CB 4.25Å; F857-V873 HydrophobicContact CE1-CG1 4.04Å; F857-V873 HydrophobicContact CE1-CG2 4.05Å; F857-V873 HydrophobicContact CE2-CG1 4.13Å; F857-V873 HydrophobicContact CZ-CB 4.42Å; F857-V873 HydrophobicContact CZ-CG1 3.92Å; F857-L876 HydrophobicContact CE1-CB 4.3Å; F857-L876 HydrophobicContact CE1-CD1 4.32Å; F857-L876 HydrophobicContact CZ-CB 3.88Å; F857-Y877 AromaticContact CE2-CD2 3.95Å; F857-Y877 HydrophobicContact CE2-CD2 3.95Å; F857-Y877 HydrophobicContact CE2-CG 4.13Å; F857-L897 HydrophobicContact CB-CD1 4.08Å; F857-L897 HydrophobicContact CD2-CD1 3.85Å; F857-L897 HydrophobicContact CD2-CD2 3.86Å; F857-L897 HydrophobicContact CE2-CD2 4.17Å; F857-L897 HydrophobicContact CG-CD1 4.35Å; F857-V979 HydrophobicContact CB-CG1 4.06Å; F857-V979 HydrophobicContact CD2-CG1 4.1Å; F857-V979 HydrophobicContact CD2-CG2 4.11Å; F857-V979 HydrophobicContact CG-CG1 4.44Å |
| 858 | A | 86.4 | Confident | 82.2 | Confident | 11 Ų | 11 | 63.5 Ų | 63.5 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L854 C855 S862 L863 L868 | L854-A858 PolarHBondContact O-N 3.43Å; C855-A858 PolarHBondContact O-N 3.14Å; A858-S862 CarbonylContact O-C 3.34Å; A858-S862 WeakPolarHBondContact O-CA 3.31Å; A858-S862 PolarHBondContact O-N 3.45Å; A858-L863 PolarHBondContact O-N 2.8Å; A858-L868 HydrophobicContact CB-CD1 3.96Å; A858-L868 HydrophobicContact CB-CD2 4.18Å; A858-L868 HydrophobicContact CB-CG 4.49Å |
| 859 | D | 83.2 | Confident | 81.9 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 176.9 | -77.1 | 25.2 | 0 | 0 | 0 | 112.4 | C855 F857 F861 S862 R904 | C855-D859 PolarHBondContact O-N 3.43Å; C855-D859 VanDerWaalsContact O-N 3.15Å; F857-D859 VanDerWaalsContact C-N 3.33Å; F857-D859 PolarHBondContact O-N 2.92Å; D859-F861 VanDerWaalsContact C-N 3.32Å; D859-F861 PolarHBondContact O-N 2.95Å; D859-S862 PolarHBondContact O-N 2.97Å; D859-R904 IonicContact OD1-NH2 3.53Å; D859-R904 PolarHBondContact OD1-NH2 3.42Å; D859-R904 IonicContact OD2-CZ 4Å; D859-R904 IonicContact OD2-NE 3.22Å; D859-R904 IonicContact OD2-NH2 2.91Å; D859-R904 PolarHBondContact OD2-NH2 2.89Å |
| 860 | T | 83.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -174.4 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | A856 F857 Q896 L897 | A856-T860 WeakPolarHBondContact O-CB 3.48Å; A856-T860 PolarHBondContact O-N 2.76Å; A856-T860 VanDerWaalsContact O-N 3.07Å; A856-T860 PolarHBondContact O-OG1 3.04Å; F857-T860 PolarHBondContact O-N 2.93Å; T860-Q896 HydrophobicContact CG2-CB 4Å; T860-L897 HydrophobicContact CG2-CB 4.07Å |
| 861 | F | 83.4 | Confident | 81.8 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 11% | 0.11 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -96.5 | 4.8 | 179.5 | -70.1 | -88.4 | 0 | 0 | 0 | 113.5 | F857 D859 L863 L876 A880 L897 | F857-F861 AromaticContact CD1-CD2 3.87Å; F857-F861 HydrophobicContact CD1-CD2 3.87Å; F857-F861 HydrophobicContact CD1-CE2 4.46Å; F857-F861 AromaticContact CD2-CD2 3.9Å; F857-F861 HydrophobicContact CD2-CD2 3.9Å; F857-F861 AromaticContact CD2-CE2 3.73Å; F857-F861 HydrophobicContact CD2-CE2 3.73Å; F857-F861 AromaticContact CE1-CD2 3.69Å; F857-F861 HydrophobicContact CE1-CD2 3.69Å; F857-F861 HydrophobicContact CE1-CE2 4.13Å; F857-F861 HydrophobicContact CE1-CG 4.15Å; F857-F861 AromaticContact CE2-CD2 3.73Å; F857-F861 HydrophobicContact CE2-CD2 3.73Å; F857-F861 AromaticContact CE2-CE2 3.33Å; F857-F861 HydrophobicContact CE2-CE2 3.33Å; F857-F861 HydrophobicContact CE2-CZ 4.08Å; F857-F861 AromaticContact CG-CD2 3.96Å; F857-F861 HydrophobicContact CG-CD2 3.96Å; F857-F861 HydrophobicContact CG-CE2 4.28Å; F857-F861 AromaticContact CZ-CD2 3.62Å; F857-F861 HydrophobicContact CZ-CD2 3.62Å; F857-F861 AromaticContact CZ-CE2 3.55Å; F857-F861 HydrophobicContact CZ-CE2 3.55Å; F857-F861 HydrophobicContact CZ-CG 4.25Å; F857-F861 HydrophobicContact CZ-CZ 4.13Å; F857-F861 WeakPolarHBondContact O-CD2 3.49Å; F857-F861 PolarHBondContact O-N 2.87Å; D859-F861 VanDerWaalsContact C-N 3.32Å; D859-F861 PolarHBondContact O-N 2.95Å; F861-L863 HydrophobicContact CB-CD1 3.87Å; F861-L863 HydrophobicContact CB-CG 3.81Å; F861-L863 PolarHBondContact O-N 2.9Å; F861-L876 HydrophobicContact CD1-CB 4.32Å; F861-L876 HydrophobicContact CE1-CB 4.26Å; F861-A880 HydrophobicContact CZ-CB 4.15Å; F861-L897 HydrophobicContact CE2-CD1 4.49Å; F861-L897 HydrophobicContact CE2-CD2 4.31Å |
| 862 | S | 80.6 | Confident | 81.8 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 77% | 0.769 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.6 | -178 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | A858 D859 | A858-S862 CarbonylContact O-C 3.34Å; A858-S862 WeakPolarHBondContact O-CA 3.31Å; A858-S862 PolarHBondContact O-N 3.45Å; D859-S862 PolarHBondContact O-N 2.97Å |
| 863 | L | 80.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | trans | -91.1 | 145.9 | -179.5 | -60.6 | 171.1 | 0 | 0 | 0 | 110.8 | F857 A858 F861 E867 L868 L876 | F857-L863 HydrophobicContact CD1-CD1 4.11Å; F857-L863 HydrophobicContact CE1-CD1 3.9Å; A858-L863 PolarHBondContact O-N 2.8Å; F861-L863 HydrophobicContact CB-CD1 3.87Å; F861-L863 HydrophobicContact CB-CG 3.81Å; F861-L863 PolarHBondContact O-N 2.9Å; L863-E867 HydrophobicContact CB-CB 4.4Å; L863-E867 HydrophobicContact CD2-CB 4.43Å; L863-E867 WeakPolarHBondContact CD2-OE2 3.19Å; L863-L868 HydrophobicContact CD1-CD2 4.26Å; L863-L876 HydrophobicContact CD1-CD1 3.58Å; L863-L876 HydrophobicContact CD2-CD1 4.04Å; L863-L876 HydrophobicContact CG-CD1 4.33Å | ||
| 864 | K | 78.6 | Confident | 81.7 | Confident | 142 Ų | 142 | 63.9 Ų | 63.9 | 62% | 0.617 | 35% | 0.353 | S | S | * | . | trans | -75.7 | 156.1 | 168 | -69.6 | -179.3 | -177.4 | 174.8 | 0 | 110.6 | D866 E867 | K864-D866 PolarHBondContact O-N 3.13Å; K864-D866 VanDerWaalsContact O-N 3.12Å; K864-E867 HydrophobicContact CB-CG 4.4Å; K864-E867 PolarHBondContact N-OE2 3.32Å; K864-E867 PolarHBondContact O-N 3.34Å | ||
| 865 | P | 73 | Confident | 81.6 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -52.6 | -35.7 | 177 | -25.5 | 33.6 | 0 | 0 | 0 | 113.4 | E867 L868 | P865-E867 VanDerWaalsContact C-N 3.26Å; P865-E867 PolarHBondContact O-N 3.29Å; P865-L868 WeakPolarHBondContact O-CB 3.36Å; P865-L868 PolarHBondContact O-N 2.88Å |
| 866 | D | 75 | Confident | 81.5 | Confident | 149 Ų | 149 | 65.4 Ų | 65.4 | 80% | 0.797 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -70.7 | -18.5 | -178.6 | -53.9 | -31.8 | 0 | 0 | 0 | 113.6 | K864 | K864-D866 PolarHBondContact O-N 3.13Å; K864-D866 VanDerWaalsContact O-N 3.12Å |
| 867 | E | 75.1 | Confident | 81.4 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -89.7 | -7.7 | -178.3 | -65.2 | 173.5 | 171.8 | 0 | 0 | 112.9 | L863 K864 P865 T869 N872 | L863-E867 HydrophobicContact CB-CB 4.4Å; L863-E867 HydrophobicContact CD2-CB 4.43Å; L863-E867 WeakPolarHBondContact CD2-OE2 3.19Å; K864-E867 HydrophobicContact CB-CG 4.4Å; K864-E867 PolarHBondContact N-OE2 3.32Å; K864-E867 PolarHBondContact O-N 3.34Å; P865-E867 VanDerWaalsContact C-N 3.26Å; P865-E867 PolarHBondContact O-N 3.29Å; E867-T869 PolarHBondContact O-N 2.81Å; E867-N872 PolarHBondContact O-ND2 2.91Å |
| 868 | L | 76.6 | Confident | 81.2 | Confident | 47 Ų | 47 | 73.3 Ų | 73.3 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | trans | -77.8 | 55.7 | -178.1 | -67.2 | 163.4 | 0 | 0 | 0 | 112.3 | F857 A858 L863 P865 V873 | F857-L868 HydrophobicContact CD1-CD2 4.14Å; A858-L868 HydrophobicContact CB-CD1 3.96Å; A858-L868 HydrophobicContact CB-CD2 4.18Å; A858-L868 HydrophobicContact CB-CG 4.49Å; L863-L868 HydrophobicContact CD1-CD2 4.26Å; P865-L868 WeakPolarHBondContact O-CB 3.36Å; P865-L868 PolarHBondContact O-N 2.88Å; L868-V873 HydrophobicContact CD2-CG2 4.14Å | ||
| 869 | T | 80 | Confident | 80.8 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 44% | 0.436 | 40% | 0.395 | S | S | . | . | trans | -78.8 | 144.7 | 168.2 | 57.3 | 0 | 0 | 0 | 0 | 110.4 | E867 S871 N872 V873 | E867-T869 PolarHBondContact O-N 2.81Å; T869-S871 PolarHBondContact O-N 2.9Å; T869-S871 VanDerWaalsContact O-N 3.15Å; T869-S871 PolarHBondContact OG1-OG 2.96Å; T869-N872 WeakPolarHBondContact O-CA 3.4Å; T869-N872 PolarHBondContact O-N 3.5Å; T869-N872 WeakPolarHBondContact OG1-CB 3.5Å; T869-N872 PolarHBondContact OG1-N 2.82Å; T869-V873 PolarHBondContact O-N 3.45Å | ||
| 870 | E | 78.3 | Confident | 80.5 | Confident | 134 Ų | 134 | 73 Ų | 73 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -54.2 | -37.6 | -179.5 | -169.5 | -174.1 | 156.7 | 0 | 0 | 112.1 | K874 | E870-K874 HydrophobicContact CG-CD 4.26Å; E870-K874 WeakPolarHBondContact O-CB 3.37Å; E870-K874 VanDerWaalsContact O-CG 3.32Å; E870-K874 WeakPolarHBondContact O-CG 3.46Å; E870-K874 PolarHBondContact O-N 2.85Å; E870-K874 WeakPolarHBondContact OE1-CE 3.36Å; E870-K874 IonicContact OE1-NZ 3.35Å; E870-K874 PolarHBondContact OE1-NZ 3.13Å |
| 871 | S | 81.5 | Confident | 80.2 | Confident | 86 Ų | 86 | 73.2 Ų | 73.2 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 173.6 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | T869 R875 | T869-S871 PolarHBondContact O-N 2.9Å; T869-S871 VanDerWaalsContact O-N 3.15Å; T869-S871 PolarHBondContact OG1-OG 2.96Å; S871-R875 VanDerWaalsContact O-CB 3.26Å; S871-R875 WeakPolarHBondContact O-CB 3.36Å; S871-R875 PolarHBondContact O-N 3.47Å |
| 872 | N | 84.4 | Confident | 79.7 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.15 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73.3 | -40.4 | -178.6 | -162.9 | 30.4 | 0 | 0 | 0 | 111.5 | E867 T869 R875 L876 | E867-N872 PolarHBondContact O-ND2 2.91Å; T869-N872 WeakPolarHBondContact O-CA 3.4Å; T869-N872 PolarHBondContact O-N 3.5Å; T869-N872 WeakPolarHBondContact OG1-CB 3.5Å; T869-N872 PolarHBondContact OG1-N 2.82Å; N872-R875 PolarHBondContact O-N 3.41Å; N872-R875 PolarHBondContact OD1-NE 2.79Å; N872-R875 PolarHBondContact OD1-NH2 3.24Å; N872-L876 WeakPolarHBondContact O-CB 3.37Å; N872-L876 WeakPolarHBondContact O-CG 3.24Å; N872-L876 PolarHBondContact O-N 2.82Å |
| 873 | V | 83.9 | Confident | 78.9 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 174 | 175 | 0 | 0 | 0 | 0 | 110.6 | F857 L868 T869 R875 L876 Y877 V979 | F857-V873 HydrophobicContact CD1-CG1 4.36Å; F857-V873 HydrophobicContact CD1-CG2 4.23Å; F857-V873 HydrophobicContact CD2-CG1 4.44Å; F857-V873 HydrophobicContact CE1-CB 4.25Å; F857-V873 HydrophobicContact CE1-CG1 4.04Å; F857-V873 HydrophobicContact CE1-CG2 4.05Å; F857-V873 HydrophobicContact CE2-CG1 4.13Å; F857-V873 HydrophobicContact CZ-CB 4.42Å; F857-V873 HydrophobicContact CZ-CG1 3.92Å; L868-V873 HydrophobicContact CD2-CG2 4.14Å; T869-V873 PolarHBondContact O-N 3.45Å; V873-R875 VanDerWaalsContact C-N 3.28Å; V873-R875 PolarHBondContact O-N 3.1Å; V873-L876 PolarHBondContact O-N 2.98Å; V873-Y877 VanDerWaalsContact O-CB 3.27Å; V873-Y877 WeakPolarHBondContact O-CB 3.49Å; V873-Y877 PolarHBondContact O-N 3.35Å; V873-V979 HydrophobicContact CG1-CG2 3.43Å; V873-V979 VanDerWaalsContact CG1-CG2 3.43Å |
| 874 | K | 84.5 | Confident | 77.6 | Confident | 69 Ų | 69 | 75.3 Ų | 75.3 | 30% | 0.3 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.4 | -42.3 | 176.3 | -79.6 | 173.9 | 170.9 | 169.8 | 0 | 112.1 | E870 R878 P976 Y977 | E870-K874 HydrophobicContact CG-CD 4.26Å; E870-K874 WeakPolarHBondContact O-CB 3.37Å; E870-K874 VanDerWaalsContact O-CG 3.32Å; E870-K874 WeakPolarHBondContact O-CG 3.46Å; E870-K874 PolarHBondContact O-N 2.85Å; E870-K874 WeakPolarHBondContact OE1-CE 3.36Å; E870-K874 IonicContact OE1-NZ 3.35Å; E870-K874 PolarHBondContact OE1-NZ 3.13Å; K874-R878 WeakPolarHBondContact O-CB 3.47Å; K874-R878 PolarHBondContact O-N 3.38Å; K874-P976 WeakPolarHBondContact CE-O 3.45Å; K874-Y977 HydrophobicContact CG-CD2 4.47Å |
| 875 | R | 83.9 | Confident | 76.4 | Confident | 127 Ų | 127 | 74.8 Ų | 74.8 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.7 | -51.2 | 178.5 | -176.2 | -177.1 | 69 | 92.5 | -0.4 | 111.7 | S871 N872 V873 R878 Q879 | S871-R875 VanDerWaalsContact O-CB 3.26Å; S871-R875 WeakPolarHBondContact O-CB 3.36Å; S871-R875 PolarHBondContact O-N 3.47Å; N872-R875 PolarHBondContact O-N 3.41Å; N872-R875 PolarHBondContact OD1-NE 2.79Å; N872-R875 PolarHBondContact OD1-NH2 3.24Å; V873-R875 VanDerWaalsContact C-N 3.28Å; V873-R875 PolarHBondContact O-N 3.1Å; R875-R878 PolarHBondContact O-N 2.73Å; R875-Q879 WeakPolarHBondContact O-CB 3.32Å; R875-Q879 VanDerWaalsContact O-CG 3.25Å; R875-Q879 WeakPolarHBondContact O-CG 3.46Å; R875-Q879 PolarHBondContact O-N 2.87Å |
| 876 | L | 83.9 | Confident | 75.2 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.12 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.2 | -39 | -178.1 | -71.4 | 172.3 | 0 | 0 | 0 | 112.1 | F857 F861 L863 N872 V873 Q879 A880 | F857-L876 HydrophobicContact CE1-CB 4.3Å; F857-L876 HydrophobicContact CE1-CD1 4.32Å; F857-L876 HydrophobicContact CZ-CB 3.88Å; F861-L876 HydrophobicContact CD1-CB 4.32Å; F861-L876 HydrophobicContact CE1-CB 4.26Å; L863-L876 HydrophobicContact CD1-CD1 3.58Å; L863-L876 HydrophobicContact CD2-CD1 4.04Å; L863-L876 HydrophobicContact CG-CD1 4.33Å; N872-L876 WeakPolarHBondContact O-CB 3.37Å; N872-L876 WeakPolarHBondContact O-CG 3.24Å; N872-L876 PolarHBondContact O-N 2.82Å; V873-L876 PolarHBondContact O-N 2.98Å; L876-Q879 PolarHBondContact O-N 2.91Å; L876-A880 PolarHBondContact O-N 2.84Å |
| 877 | Y | 85.8 | Confident | 74.1 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 175.4 | -151.2 | -26.5 | 0 | 0 | 0 | 110.9 | F857 V873 Q879 A880 Q881 L894 L897 L964 Y977 V979 | F857-Y877 AromaticContact CE2-CD2 3.95Å; F857-Y877 HydrophobicContact CE2-CD2 3.95Å; F857-Y877 HydrophobicContact CE2-CG 4.13Å; V873-Y877 VanDerWaalsContact O-CB 3.27Å; V873-Y877 WeakPolarHBondContact O-CB 3.49Å; V873-Y877 PolarHBondContact O-N 3.35Å; Y877-Q879 VanDerWaalsContact C-N 3.32Å; Y877-Q879 PolarHBondContact O-N 2.87Å; Y877-A880 WeakPolarHBondContact O-CB 3.23Å; Y877-A880 PolarHBondContact O-N 3.33Å; Y877-Q881 PolarHBondContact O-N 3.22Å; Y877-L894 HydrophobicContact CD1-CD1 4.37Å; Y877-L894 HydrophobicContact CE1-CD1 3.49Å; Y877-L894 VanDerWaalsContact CE1-CD1 3.49Å; Y877-L897 HydrophobicContact CE1-CD2 4.17Å; Y877-L897 HydrophobicContact CE2-CD2 4.05Å; Y877-L964 HydrophobicContact CD1-CD1 4.32Å; Y877-L964 HydrophobicContact CE1-CD1 3.52Å; Y877-Y977 HydrophobicContact CD1-CD1 4.03Å; Y877-Y977 HydrophobicContact CD2-CD1 4.44Å; Y877-Y977 AromaticContact CG-CD1 3.85Å; Y877-Y977 HydrophobicContact CG-CD1 3.85Å; Y877-Y977 HydrophobicContact CG-CG 4.46Å; Y877-V979 HydrophobicContact CD2-CG2 3.88Å; Y877-V979 HydrophobicContact CE2-CG2 3.97Å |
| 878 | R | 82.9 | Confident | 73 | Confident | 159 Ų | 159 | 70.9 Ų | 70.9 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 174.2 | -178.1 | 171.4 | -176.9 | -168.2 | 1.2 | 112.4 | K874 R875 A880 Q881 F882 Y977 | K874-R878 WeakPolarHBondContact O-CB 3.47Å; K874-R878 PolarHBondContact O-N 3.38Å; R875-R878 PolarHBondContact O-N 2.73Å; R878-A880 VanDerWaalsContact C-N 3.29Å; R878-A880 PolarHBondContact O-N 3.46Å; R878-Q881 PolarHBondContact O-N 2.87Å; R878-F882 HydrophobicContact CG-CD2 4.39Å; R878-F882 PolarHBondContact O-N 3.39Å; R878-Y977 HydrophobicContact CB-CE1 3.98Å; R878-Y977 HydrophobicContact CB-CE2 3.89Å; R878-Y977 HydrophobicContact CG-CE2 4.23Å; R878-Y977 WeakPolarHBondContact CG-OH 3.12Å |
| 879 | Q | 78.5 | Confident | 71.9 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.7 | -35.2 | 174.1 | -75.5 | 176 | -17.4 | 0 | 0 | 112.1 | R875 L876 Y877 F882 | R875-Q879 WeakPolarHBondContact O-CB 3.32Å; R875-Q879 VanDerWaalsContact O-CG 3.25Å; R875-Q879 WeakPolarHBondContact O-CG 3.46Å; R875-Q879 PolarHBondContact O-N 2.87Å; L876-Q879 PolarHBondContact O-N 2.91Å; Y877-Q879 VanDerWaalsContact C-N 3.32Å; Y877-Q879 PolarHBondContact O-N 2.87Å; Q879-F882 CarbonylContact O-C 3.51Å |
| 880 | A | 77.3 | Confident | 70.7 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 3% | 0.025 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -35.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F861 L876 Y877 R878 | F861-A880 HydrophobicContact CZ-CB 4.15Å; L876-A880 PolarHBondContact O-N 2.84Å; Y877-A880 WeakPolarHBondContact O-CB 3.23Å; Y877-A880 PolarHBondContact O-N 3.33Å; R878-A880 VanDerWaalsContact C-N 3.29Å; R878-A880 PolarHBondContact O-N 3.46Å |
| 881 | Q | 75.5 | Confident | 69.8 | Low | 32 Ų | 32 | 66.6 Ų | 66.6 | 15% | 0.15 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.8 | -44.7 | 178.5 | -173.7 | -175.5 | 21.6 | 0 | 0 | 112.3 | Y877 R878 P883 M965 Y977 | Y877-Q881 PolarHBondContact O-N 3.22Å; R878-Q881 PolarHBondContact O-N 2.87Å; Q881-P883 WeakPolarHBondContact O-CD 3.43Å; Q881-M965 PolarHBondContact NE2-O 3.24Å; Q881-Y977 HydrophobicContact CB-CE1 4.31Å; Q881-Y977 PolarHBondContact OE1-OH 3.33Å |
| 882 | F | 74.2 | Confident | 69.1 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -110.2 | 78.2 | 178.1 | -64.2 | -74.6 | 0 | 0 | 0 | 109.2 | R878 Q879 S884 L966 | R878-F882 HydrophobicContact CG-CD2 4.39Å; R878-F882 PolarHBondContact O-N 3.39Å; Q879-F882 CarbonylContact O-C 3.51Å; F882-S884 PolarHBondContact O-N 3.49Å; F882-L966 HydrophobicContact CE1-CD1 3.75Å; F882-L966 HydrophobicContact CE1-CG 4.46Å; F882-L966 HydrophobicContact CZ-CD1 3.8Å; F882-L966 HydrophobicContact CZ-CG 4.08Å; F882-L966 WeakPolarHBondContact CZ-O 3.38Å |
| 883 | P | 62.6 | Low | 68.6 | Low | 40 Ų | 40 | 73.1 Ų | 73.1 | 26% | 0.26 | 36% | 0.363 | S | S | . | . | trans | -58 | 133.5 | 168.1 | 25.3 | -31.6 | 0 | 0 | 0 | 108 | Q881 S885 D887 S890 L891 | Q881-P883 WeakPolarHBondContact O-CD 3.43Å; P883-S885 PolarHBondContact O-N 3.1Å; P883-D887 VanDerWaalsContact CB-O 3.25Å; P883-D887 WeakPolarHBondContact CB-O 3.36Å; P883-S890 WeakPolarHBondContact CB-OG 3.47Å; P883-L891 HydrophobicContact CG-CD1 4.21Å | ||
| 884 | S | 55 | Low | 68.3 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | trans | -52.1 | 138.8 | 158.2 | 46.3 | 0 | 0 | 0 | 0 | 107.2 | F882 T886 D887 | F882-S884 PolarHBondContact O-N 3.49Å; S884-T886 WeakPolarHBondContact CB-OG1 3.36Å; S884-T886 CarbonylContact O-C 3.55Å; S884-T886 PolarHBondContact O-N 3.47Å; S884-T886 PolarHBondContact OG-OG1 2.85Å; S884-D887 PolarHBondContact O-N 3.5Å | ||
| 885 | S | 51.9 | Low | 67.8 | Low | 131 Ų | 131 | 73.3 Ų | 73.3 | 92% | 0.916 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -15.4 | -172.2 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | P883 | P883-S885 PolarHBondContact O-N 3.1Š|
| 886 | T | 49 | Very low | 67.6 | Low | 47 Ų | 47 | 72.6 Ų | 72.6 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -28.3 | 171.9 | 15.5 | 0 | 0 | 0 | 0 | 116 | S884 M1602 N1606 | S884-T886 WeakPolarHBondContact CB-OG1 3.36Å; S884-T886 CarbonylContact O-C 3.55Å; S884-T886 PolarHBondContact O-N 3.47Å; S884-T886 PolarHBondContact OG-OG1 2.85Å; T886-M1602 HydrophobicContact CG2-CE 3.85Å; T886-N1606 WeakPolarHBondContact CG2-ND2 3.1Å |
| 887 | D | 50.4 | Low | 67.6 | Low | 69 Ų | 69 | 71.5 Ų | 71.5 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | trans | -119.2 | 75.9 | -160 | -154.7 | -2.6 | 0 | 0 | 0 | 113.7 | P883 S884 S889 S890 | P883-D887 VanDerWaalsContact CB-O 3.25Å; P883-D887 WeakPolarHBondContact CB-O 3.36Å; S884-D887 PolarHBondContact O-N 3.5Å; D887-S889 PolarHBondContact O-N 3.49Å; D887-S889 VanDerWaalsContact O-N 3.12Å; D887-S889 VanDerWaalsContact OD1-CB 3.26Å; D887-S889 WeakPolarHBondContact OD1-CB 3.21Å; D887-S889 PolarHBondContact OD1-N 2.96Å; D887-S889 PolarHBondContact OD1-OG 2.78Å; D887-S890 PolarHBondContact O-N 3.1Å; D887-S890 PolarHBondContact O-OG 3.37Å | ||
| 888 | Q | 52 | Low | 67.5 | Low | 138 Ų | 138 | 72 Ų | 72 | 65% | 0.645 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60 | -15.4 | 171.1 | -76.7 | -177.1 | -14.6 | 0 | 0 | 113.1 | S890 | Q888-S890 VanDerWaalsContact C-N 3.31Å; Q888-S890 PolarHBondContact O-N 2.84Å |
| 889 | S | 53.4 | Low | 67.3 | Low | 48 Ų | 48 | 68.1 Ų | 68.1 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 179 | 83.4 | 0 | 0 | 0 | 0 | 111.7 | D887 L891 K892 R893 | D887-S889 PolarHBondContact O-N 3.49Å; D887-S889 VanDerWaalsContact O-N 3.12Å; D887-S889 VanDerWaalsContact OD1-CB 3.26Å; D887-S889 WeakPolarHBondContact OD1-CB 3.21Å; D887-S889 PolarHBondContact OD1-N 2.96Å; D887-S889 PolarHBondContact OD1-OG 2.78Å; S889-L891 PolarHBondContact O-N 3.31Å; S889-K892 WeakPolarHBondContact O-CB 3.26Å; S889-K892 PolarHBondContact O-N 3.22Å; S889-R893 PolarHBondContact O-N 3.37Å |
| 890 | S | 56.1 | Low | 67.7 | Low | 12 Ų | 12 | 64.6 Ų | 64.6 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 178.9 | -8.7 | 0 | 0 | 0 | 0 | 113.1 | P883 D887 Q888 K892 R893 L894 | P883-S890 WeakPolarHBondContact CB-OG 3.47Å; D887-S890 PolarHBondContact O-N 3.1Å; D887-S890 PolarHBondContact O-OG 3.37Å; Q888-S890 VanDerWaalsContact C-N 3.31Å; Q888-S890 PolarHBondContact O-N 2.84Å; S890-K892 VanDerWaalsContact C-N 3.3Å; S890-K892 PolarHBondContact O-N 3.34Å; S890-R893 WeakPolarHBondContact O-CB 3.37Å; S890-R893 PolarHBondContact O-N 2.73Å; S890-R893 VanDerWaalsContact O-N 3.09Å; S890-L894 PolarHBondContact O-N 3.25Å |
| 891 | L | 59.2 | Low | 68.2 | Low | 102 Ų | 102 | 64.6 Ų | 64.6 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.9 | -35.8 | -179.6 | -151.2 | 104.5 | 0 | 0 | 0 | 111.4 | P883 S889 R893 L894 A895 | P883-L891 HydrophobicContact CG-CD1 4.21Å; S889-L891 PolarHBondContact O-N 3.31Å; L891-R893 VanDerWaalsContact C-N 3.3Å; L891-R893 PolarHBondContact O-N 3.41Å; L891-L894 PolarHBondContact O-N 2.79Å; L891-A895 PolarHBondContact O-N 3.48Å |
| 892 | K | 66.5 | Low | 68.6 | Low | 139 Ų | 139 | 64.3 Ų | 64.3 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65 | -34.3 | 173.7 | -66.1 | -177.8 | 179 | -179.3 | 0 | 111.8 | S889 S890 L894 A895 Q896 | S889-K892 WeakPolarHBondContact O-CB 3.26Å; S889-K892 PolarHBondContact O-N 3.22Å; S890-K892 VanDerWaalsContact C-N 3.3Å; S890-K892 PolarHBondContact O-N 3.34Å; K892-L894 VanDerWaalsContact C-N 3.32Å; K892-L894 PolarHBondContact O-N 2.84Å; K892-A895 PolarHBondContact O-N 3.5Å; K892-Q896 VanDerWaalsContact O-CG 3.31Å; K892-Q896 WeakPolarHBondContact O-CG 3.09Å; K892-Q896 PolarHBondContact O-N 2.91Å |
| 893 | R | 73.3 | Confident | 69.1 | Low | 113 Ų | 113 | 64.1 Ų | 64.1 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -34.7 | 177 | -64.3 | -176.2 | -170.8 | -174.5 | 3.3 | 112.4 | S889 S890 L891 Q896 L897 | S889-R893 PolarHBondContact O-N 3.37Å; S890-R893 WeakPolarHBondContact O-CB 3.37Å; S890-R893 PolarHBondContact O-N 2.73Å; S890-R893 VanDerWaalsContact O-N 3.09Å; L891-R893 VanDerWaalsContact C-N 3.3Å; L891-R893 PolarHBondContact O-N 3.41Å; R893-Q896 PolarHBondContact O-N 2.84Å; R893-L897 WeakPolarHBondContact O-CB 3.4Å; R893-L897 PolarHBondContact O-N 3.4Å |
| 894 | L | 78.3 | Confident | 70.3 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.3 | -176.9 | 62.4 | 0 | 0 | 0 | 111.5 | Y877 S890 L891 K892 Q896 L897 D898 | Y877-L894 HydrophobicContact CD1-CD1 4.37Å; Y877-L894 HydrophobicContact CE1-CD1 3.49Å; Y877-L894 VanDerWaalsContact CE1-CD1 3.49Å; S890-L894 PolarHBondContact O-N 3.25Å; L891-L894 PolarHBondContact O-N 2.79Å; K892-L894 VanDerWaalsContact C-N 3.32Å; K892-L894 PolarHBondContact O-N 2.84Å; L894-Q896 VanDerWaalsContact C-N 3.33Å; L894-Q896 PolarHBondContact O-N 3.1Å; L894-L897 WeakPolarHBondContact O-CB 3.45Å; L894-L897 PolarHBondContact O-N 3.4Å; L894-D898 PolarHBondContact O-N 2.68Å |
| 895 | A | 74 | Confident | 71.9 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L891 K892 D898 M899 | L891-A895 PolarHBondContact O-N 3.48Å; K892-A895 PolarHBondContact O-N 3.5Å; A895-D898 PolarHBondContact O-N 3.01Å; A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.78Å |
| 896 | Q | 79 | Confident | 73.5 | Confident | 112 Ų | 112 | 59.1 Ų | 59.1 | 52% | 0.523 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 173.6 | -73.3 | 171.8 | -12.9 | 0 | 0 | 112.1 | T860 K892 R893 L894 M899 A900 | T860-Q896 HydrophobicContact CG2-CB 4Å; K892-Q896 VanDerWaalsContact O-CG 3.31Å; K892-Q896 WeakPolarHBondContact O-CG 3.09Å; K892-Q896 PolarHBondContact O-N 2.91Å; R893-Q896 PolarHBondContact O-N 2.84Å; L894-Q896 VanDerWaalsContact C-N 3.33Å; L894-Q896 PolarHBondContact O-N 3.1Å; Q896-M899 PolarHBondContact O-N 2.96Å; Q896-A900 WeakPolarHBondContact O-CB 3.46Å; Q896-A900 PolarHBondContact O-N 2.83Å |
| 897 | L | 84.5 | Confident | 75.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.8 | 178.7 | 66.6 | 0 | 0 | 0 | 111 | F857 T860 F861 Y877 R893 L894 M899 A900 I901 | F857-L897 HydrophobicContact CB-CD1 4.08Å; F857-L897 HydrophobicContact CD2-CD1 3.85Å; F857-L897 HydrophobicContact CD2-CD2 3.86Å; F857-L897 HydrophobicContact CE2-CD2 4.17Å; F857-L897 HydrophobicContact CG-CD1 4.35Å; T860-L897 HydrophobicContact CG2-CB 4.07Å; F861-L897 HydrophobicContact CE2-CD1 4.49Å; F861-L897 HydrophobicContact CE2-CD2 4.31Å; Y877-L897 HydrophobicContact CE1-CD2 4.17Å; Y877-L897 HydrophobicContact CE2-CD2 4.05Å; R893-L897 WeakPolarHBondContact O-CB 3.4Å; R893-L897 PolarHBondContact O-N 3.4Å; L894-L897 WeakPolarHBondContact O-CB 3.45Å; L894-L897 PolarHBondContact O-N 3.4Å; L897-M899 VanDerWaalsContact C-N 3.34Å; L897-M899 PolarHBondContact O-N 2.76Å; L897-A900 PolarHBondContact O-N 3.3Å; L897-I901 HydrophobicContact CD1-CD1 3.9Å; L897-I901 HydrophobicContact CD1-CG1 4.27Å; L897-I901 HydrophobicContact CD2-CD1 4.45Å; L897-I901 HydrophobicContact CG-CD1 3.8Å; L897-I901 HydrophobicContact CG-CG1 4.49Å; L897-I901 WeakPolarHBondContact O-CB 3.42Å; L897-I901 VanDerWaalsContact O-CG1 3.27Å; L897-I901 WeakPolarHBondContact O-CG1 3.4Å; L897-I901 PolarHBondContact O-N 3.08Å |
| 898 | D | 83.2 | Confident | 77.2 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 179.2 | -76.8 | -24.5 | 0 | 0 | 0 | 112 | L894 A895 I901 K902 R961 | L894-D898 PolarHBondContact O-N 2.68Å; A895-D898 PolarHBondContact O-N 3.01Å; D898-I901 PolarHBondContact O-N 2.95Å; D898-K902 VanDerWaalsContact O-CB 3.24Å; D898-K902 WeakPolarHBondContact O-CB 3.45Å; D898-K902 PolarHBondContact O-N 2.72Å; D898-R961 HydrophobicContact CB-CG 4.31Å; D898-R961 IonicContact OD1-NH1 3.79Å |
| 899 | M | 80.2 | Confident | 78.9 | Confident | 77 Ų | 77 | 57.7 Ų | 57.7 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 174.3 | -71.7 | -62.1 | 105.7 | 0 | 0 | 111.9 | A895 Q896 L897 I901 K902 D903 G959 | A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.78Å; Q896-M899 PolarHBondContact O-N 2.96Å; L897-M899 VanDerWaalsContact C-N 3.34Å; L897-M899 PolarHBondContact O-N 2.76Å; M899-I901 VanDerWaalsContact C-N 3.32Å; M899-I901 PolarHBondContact O-N 2.99Å; M899-K902 HydrophobicContact CE-CD 4Å; M899-K902 PolarHBondContact O-N 2.78Å; M899-D903 PolarHBondContact O-N 3.23Å; M899-G959 WeakPolarHBondContact CE-O 3.37Å |
| 900 | A | 85.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 58.7 Ų | 58.7 | 21% | 0.207 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A856 Q896 L897 R904 | A856-A900 HydrophobicContact CB-CB 4.35Å; Q896-A900 WeakPolarHBondContact O-CB 3.46Å; Q896-A900 PolarHBondContact O-N 2.83Å; L897-A900 PolarHBondContact O-N 3.3Å; A900-R904 WeakPolarHBondContact O-CD 3.28Å; A900-R904 WeakPolarHBondContact O-CG 3.49Å; A900-R904 PolarHBondContact O-N 3.46Å |
| 901 | I | 87.9 | Confident | 82 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 174.8 | -70.2 | 170.1 | 0 | 0 | 0 | 110 | A856 L897 D898 M899 D903 R904 L905 R961 V979 | A856-I901 HydrophobicContact CB-CB 4.32Å; A856-I901 HydrophobicContact CB-CG1 3.44Å; A856-I901 VanDerWaalsContact CB-CG1 3.44Å; L897-I901 HydrophobicContact CD1-CD1 3.9Å; L897-I901 HydrophobicContact CD1-CG1 4.27Å; L897-I901 HydrophobicContact CD2-CD1 4.45Å; L897-I901 HydrophobicContact CG-CD1 3.8Å; L897-I901 HydrophobicContact CG-CG1 4.49Å; L897-I901 WeakPolarHBondContact O-CB 3.42Å; L897-I901 VanDerWaalsContact O-CG1 3.27Å; L897-I901 WeakPolarHBondContact O-CG1 3.4Å; L897-I901 PolarHBondContact O-N 3.08Å; D898-I901 PolarHBondContact O-N 2.95Å; M899-I901 VanDerWaalsContact C-N 3.32Å; M899-I901 PolarHBondContact O-N 2.99Å; I901-D903 PolarHBondContact O-N 3.33Å; I901-R904 PolarHBondContact O-N 3.4Å; I901-L905 HydrophobicContact CG2-CD1 3.53Å; I901-L905 HydrophobicContact CG2-CG 4.05Å; I901-L905 WeakPolarHBondContact O-CB 3.48Å; I901-L905 VanDerWaalsContact O-CG 3.29Å; I901-L905 WeakPolarHBondContact O-CG 3.42Å; I901-L905 PolarHBondContact O-N 3.26Å; I901-R961 VanDerWaalsContact CD1-NH1 3.26Å; I901-V979 HydrophobicContact CD1-CG1 4.18Å |
| 902 | K | 84.7 | Confident | 83.4 | Confident | 25 Ų | 25 | 55.3 Ų | 55.3 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -48.5 | -179.5 | 175 | 177.9 | 163.8 | 173.1 | 0 | 112.7 | D898 M899 R904 L905 K906 E956 G1226 | D898-K902 VanDerWaalsContact O-CB 3.24Å; D898-K902 WeakPolarHBondContact O-CB 3.45Å; D898-K902 PolarHBondContact O-N 2.72Å; M899-K902 HydrophobicContact CE-CD 4Å; M899-K902 PolarHBondContact O-N 2.78Å; K902-R904 VanDerWaalsContact C-N 3.27Å; K902-R904 PolarHBondContact O-N 3.04Å; K902-L905 PolarHBondContact O-N 3.36Å; K902-K906 WeakPolarHBondContact O-CB 3.14Å; K902-K906 PolarHBondContact O-N 2.92Å; K902-E956 VanDerWaalsContact CD-OE1 3.25Å; K902-E956 WeakPolarHBondContact CD-OE1 3.49Å; K902-E956 WeakPolarHBondContact CE-OE1 3.49Å; K902-E956 WeakPolarHBondContact CE-OE2 3.44Å; K902-E956 IonicContact NZ-OE1 3.92Å; K902-E956 PolarHBondContact NZ-OE1 2.77Å; K902-E956 IonicContact NZ-OE2 3.19Å; K902-E956 PolarHBondContact NZ-OE2 3.47Å; K902-G1226 WeakPolarHBondContact CE-O 3.14Å; K902-G1226 PolarHBondContact NZ-O 2.88Å |
| 903 | D | 83.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -34.3 | -179.8 | -76.8 | -14.6 | 0 | 0 | 0 | 113 | M899 I901 R907 | M899-D903 PolarHBondContact O-N 3.23Å; I901-D903 PolarHBondContact O-N 3.33Å; D903-R907 WeakPolarHBondContact O-CG 3.03Å; D903-R907 PolarHBondContact O-N 2.7Å; D903-R907 PolarHBondContact O-NE 3.35Å; D903-R907 VanDerWaalsContact O-NE 3.09Å |
| 904 | R | 88.4 | Confident | 85 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 21% | 0.208 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -75.1 | -42.5 | 175.8 | -73.5 | 168.9 | 168.9 | -120.2 | 4.3 | 111.3 | D859 A900 I901 K902 A908 | D859-R904 IonicContact OD1-NH2 3.53Å; D859-R904 PolarHBondContact OD1-NH2 3.42Å; D859-R904 IonicContact OD2-CZ 4Å; D859-R904 IonicContact OD2-NE 3.22Å; D859-R904 IonicContact OD2-NH2 2.91Å; D859-R904 PolarHBondContact OD2-NH2 2.89Å; A900-R904 WeakPolarHBondContact O-CD 3.28Å; A900-R904 WeakPolarHBondContact O-CG 3.49Å; A900-R904 PolarHBondContact O-N 3.46Å; I901-R904 PolarHBondContact O-N 3.4Å; K902-R904 VanDerWaalsContact C-N 3.27Å; K902-R904 PolarHBondContact O-N 3.04Å; R904-A908 PolarHBondContact O-N 3.11Å; R904-A908 VanDerWaalsContact O-N 3.12Å |
| 905 | L | 88.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 178 | -72.3 | 178.1 | 0 | 0 | 0 | 112.4 | L849 L852 I901 K902 A908 Q909 Q954 P981 M986 | L849-L905 HydrophobicContact CD2-CD2 4.43Å; L852-L905 HydrophobicContact CD1-CD2 4.36Å; I901-L905 HydrophobicContact CG2-CD1 3.53Å; I901-L905 HydrophobicContact CG2-CG 4.05Å; I901-L905 WeakPolarHBondContact O-CB 3.48Å; I901-L905 VanDerWaalsContact O-CG 3.29Å; I901-L905 WeakPolarHBondContact O-CG 3.42Å; I901-L905 PolarHBondContact O-N 3.26Å; K902-L905 PolarHBondContact O-N 3.36Å; L905-A908 PolarHBondContact O-N 3.06Å; L905-Q909 WeakPolarHBondContact O-CB 3.36Å; L905-Q909 PolarHBondContact O-N 3.3Å; L905-Q954 VanDerWaalsContact CD1-OE1 3.24Å; L905-P981 HydrophobicContact CD1-CB 4.02Å; L905-P981 HydrophobicContact CD2-CB 3.68Å; L905-P981 HydrophobicContact CD2-CG 3.67Å; L905-P981 HydrophobicContact CG-CB 4.5Å; L905-M986 HydrophobicContact CD1-CB 4.44Å; L905-M986 HydrophobicContact CD1-SD 4.46Å |
| 906 | K | 85.6 | Confident | 85.9 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 176.4 | -175.9 | -176.9 | 178.9 | -172.1 | 0 | 111.5 | K902 A908 Q909 D910 E1227 | K902-K906 WeakPolarHBondContact O-CB 3.14Å; K902-K906 PolarHBondContact O-N 2.92Å; K906-A908 VanDerWaalsContact C-N 3.25Å; K906-A908 PolarHBondContact O-N 3.17Å; K906-Q909 PolarHBondContact O-N 3.09Å; K906-Q909 VanDerWaalsContact O-N 3.11Å; K906-D910 PolarHBondContact O-N 3.08Å; K906-E1227 VanDerWaalsContact CE-OE1 3.26Å; K906-E1227 WeakPolarHBondContact CE-OE1 3.14Å; K906-E1227 IonicContact NZ-OE1 3.34Å; K906-E1227 PolarHBondContact NZ-OE1 2.88Å |
| 907 | R | 87.4 | Confident | 86.2 | Confident | 166 Ų | 166 | 42.2 Ų | 42.2 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -57 | -39.6 | 176 | -76 | -176.9 | -77.3 | 165.4 | -9.9 | 112.6 | D903 A911 | D903-R907 WeakPolarHBondContact O-CG 3.03Å; D903-R907 PolarHBondContact O-N 2.7Å; D903-R907 PolarHBondContact O-NE 3.35Å; D903-R907 VanDerWaalsContact O-NE 3.09Å; R907-A911 WeakPolarHBondContact O-CB 3.46Å; R907-A911 PolarHBondContact O-N 2.98Å |
| 908 | A | 88.4 | Confident | 85.7 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.5 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L849 L852 R904 L905 K906 A911 V912 | L849-A908 HydrophobicContact CD2-CB 3.49Å; L849-A908 VanDerWaalsContact CD2-CB 3.49Å; L852-A908 HydrophobicContact CD1-CB 3.85Å; R904-A908 PolarHBondContact O-N 3.11Å; R904-A908 VanDerWaalsContact O-N 3.12Å; L905-A908 PolarHBondContact O-N 3.06Å; K906-A908 VanDerWaalsContact C-N 3.25Å; K906-A908 PolarHBondContact O-N 3.17Å; A908-A911 PolarHBondContact O-N 2.99Å; A908-V912 WeakPolarHBondContact O-CG2 3.49Å; A908-V912 PolarHBondContact O-N 3.12Å; A908-V912 VanDerWaalsContact O-N 3.15Å |
| 909 | Q | 88.3 | Confident | 85.5 | Confident | 34 Ų | 34 | 48 Ų | 48 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 176.9 | 179.2 | 173 | -13.3 | 0 | 0 | 111.6 | L905 K906 A911 V912 C913 G953 M986 | L905-Q909 WeakPolarHBondContact O-CB 3.36Å; L905-Q909 PolarHBondContact O-N 3.3Å; K906-Q909 PolarHBondContact O-N 3.09Å; K906-Q909 VanDerWaalsContact O-N 3.11Å; Q909-A911 VanDerWaalsContact C-N 3.29Å; Q909-A911 PolarHBondContact O-N 3.31Å; Q909-V912 WeakPolarHBondContact O-CA 3.48Å; Q909-V912 WeakPolarHBondContact O-CB 3.32Å; Q909-V912 PolarHBondContact O-N 3.41Å; Q909-C913 PolarHBondContact O-N 3.43Å; Q909-C913 PolarHBondContact O-SG 2.92Å; Q909-G953 VanDerWaalsContact OE1-CA 3.23Å; Q909-M986 HydrophobicContact CB-CE 4.38Å |
| 910 | D | 87 | Confident | 85.7 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 177.2 | -68.2 | -23 | 0 | 0 | 0 | 110.7 | K906 V912 C913 D914 | K906-D910 PolarHBondContact O-N 3.08Å; D910-V912 VanDerWaalsContact C-N 3.27Å; D910-V912 PolarHBondContact O-N 2.76Å; D910-C913 WeakPolarHBondContact O-CB 3.42Å; D910-C913 PolarHBondContact O-N 3.38Å; D910-C913 VanDerWaalsContact O-N 3.15Å; D910-D914 PolarHBondContact O-N 2.93Å |
| 911 | A | 88.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 44 Ų | 44 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.8 | -30 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R845 R907 A908 Q909 | R845-A911 PolarHBondContact NH1-O 3.45Å; R907-A911 WeakPolarHBondContact O-CB 3.46Å; R907-A911 PolarHBondContact O-N 2.98Å; A908-A911 PolarHBondContact O-N 2.99Å; Q909-A911 VanDerWaalsContact C-N 3.29Å; Q909-A911 PolarHBondContact O-N 3.31Å |
| 912 | V | 88.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.9 | -45.5 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | R842 R845 F846 A908 Q909 D910 D914 S915 A916 V950 | R842-V912 HydrophobicContact CB-CG1 4.38Å; R842-V912 HydrophobicContact CG-CG1 4.11Å; R845-V912 HydrophobicContact CB-CG2 3.61Å; R845-V912 HydrophobicContact CG-CG2 4.4Å; F846-V912 HydrophobicContact CD1-CG2 4.45Å; F846-V912 HydrophobicContact CE1-CB 4.48Å; F846-V912 HydrophobicContact CE1-CG1 4.35Å; F846-V912 HydrophobicContact CE1-CG2 4.15Å; F846-V912 HydrophobicContact CE2-CG1 3.9Å; F846-V912 HydrophobicContact CZ-CB 4.29Å; F846-V912 HydrophobicContact CZ-CG1 3.75Å; F846-V912 HydrophobicContact CZ-CG2 4.37Å; A908-V912 WeakPolarHBondContact O-CG2 3.49Å; A908-V912 PolarHBondContact O-N 3.12Å; A908-V912 VanDerWaalsContact O-N 3.15Å; Q909-V912 WeakPolarHBondContact O-CA 3.48Å; Q909-V912 WeakPolarHBondContact O-CB 3.32Å; Q909-V912 PolarHBondContact O-N 3.41Å; D910-V912 VanDerWaalsContact C-N 3.27Å; D910-V912 PolarHBondContact O-N 2.76Å; V912-D914 PolarHBondContact O-N 3.45Å; V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 PolarHBondContact O-OG 3.23Å; V912-A916 PolarHBondContact O-N 3.09Å; V912-V950 HydrophobicContact CG1-CG1 3.7Å |
| 913 | C | 87.8 | Confident | 86.3 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 178.7 | -73.2 | 0 | 0 | 0 | 0 | 112.1 | Q909 D910 S915 A916 I917 Q946 | Q909-C913 PolarHBondContact O-N 3.43Å; Q909-C913 PolarHBondContact O-SG 2.92Å; D910-C913 WeakPolarHBondContact O-CB 3.42Å; D910-C913 PolarHBondContact O-N 3.38Å; D910-C913 VanDerWaalsContact O-N 3.15Å; C913-S915 PolarHBondContact O-N 3.08Å; C913-A916 PolarHBondContact O-N 3.3Å; C913-A916 VanDerWaalsContact O-N 3.1Å; C913-I917 PolarHBondContact O-N 3.39Å; C913-Q946 HydrophobicContact CB-CG 4.31Å |
| 914 | D | 85.7 | Confident | 86.3 | Confident | 124 Ų | 124 | 48.6 Ų | 48.6 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.3 | -29.4 | 179.2 | -70.9 | -19.5 | 0 | 0 | 0 | 112.7 | D910 V912 | D910-D914 PolarHBondContact O-N 2.93Å; V912-D914 PolarHBondContact O-N 3.45Å |
| 915 | S | 84.8 | Confident | 86 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -76.1 | -27.3 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | V912 C913 | V912-S915 PolarHBondContact O-N 3.45Å; V912-S915 PolarHBondContact O-OG 3.23Å; C913-S915 PolarHBondContact O-N 3.08Å |
| 916 | A | 85.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -96.4 | -37.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L834 V912 C913 G920 V950 | L834-A916 HydrophobicContact CD1-CB 4.18Å; L834-A916 HydrophobicContact CD2-CB 4.15Å; V912-A916 PolarHBondContact O-N 3.09Å; C913-A916 PolarHBondContact O-N 3.3Å; C913-A916 VanDerWaalsContact O-N 3.1Å; A916-G920 CarbonylContact O-C 3.53Å; A916-G920 WeakPolarHBondContact O-CA 3.34Å; A916-G920 PolarHBondContact O-N 3.16Å; A916-V950 HydrophobicContact CB-CG2 3.68Å |
| 917 | I | 84.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 129.1 | -178 | -55.4 | 178.4 | 0 | 0 | 0 | 108.2 | C913 L921 M942 Q946 V950 | C913-I917 PolarHBondContact O-N 3.39Å; I917-L921 HydrophobicContact CG1-CD2 4.41Å; I917-L921 HydrophobicContact CG2-CD1 4.37Å; I917-M942 HydrophobicContact CB-CE 4.21Å; I917-M942 HydrophobicContact CG2-CE 3.36Å; I917-M942 HydrophobicContact CG2-SD 4.35Å; I917-Q946 HydrophobicContact CD1-CG 4.02Å; I917-V950 HydrophobicContact CD1-CG2 4Å; I917-V950 HydrophobicContact CG1-CG2 4.16Å |
| 918 | P | 74.9 | Confident | 85.7 | Confident | 65 Ų | 65 | 45.3 Ų | 45.3 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | -21.1 | 11.4 | 34.4 | -35.2 | 0 | 0 | 0 | 114.9 | L751 G920 | L751-P918 HydrophobicContact CD2-CB 3.69Å; L751-P918 HydrophobicContact CD2-CG 3.81Å; P918-G920 PolarHBondContact O-N 3.49Å |
| 919 | G | 78.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 78% | 0.784 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.5 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 920 | G | 86 | Confident | 86 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L834 S835 A838 A916 P918 | L834-G920 CarbonylContact C-O 3.53Å; L834-G920 WeakPolarHBondContact CA-O 3.44Å; S835-G920 PolarHBondContact N-O 3.25Å; S835-G920 PolarHBondContact OG-O 3.45Å; A838-G920 VanDerWaalsContact CB-O 3.3Å; A838-G920 WeakPolarHBondContact CB-O 3.29Å; A916-G920 CarbonylContact O-C 3.53Å; A916-G920 WeakPolarHBondContact O-CA 3.34Å; A916-G920 PolarHBondContact O-N 3.16Å; P918-G920 PolarHBondContact O-N 3.49Å |
| 921 | L | 90 | Very high | 86.1 | Confident | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 150.3 | 178.9 | -66.7 | 162.7 | 0 | 0 | 0 | 111.9 | L834 I917 V923 Q931 | L834-L921 HydrophobicContact CD2-CD2 4.01Å; I917-L921 HydrophobicContact CG1-CD2 4.41Å; I917-L921 HydrophobicContact CG2-CD1 4.37Å; L921-V923 VanDerWaalsContact CB-O 3.31Å; L921-V923 WeakPolarHBondContact CB-O 3.33Å; L921-Q931 HydrophobicContact CD1-CG 3.42Å; L921-Q931 VanDerWaalsContact CD1-CG 3.42Å |
| 922 | Y | 90.4 | Very high | 86.1 | Confident | 158 Ų | 158 | 39.2 Ų | 39.2 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -65.9 | -41.4 | 176 | -179.5 | -103.5 | 0 | 0 | 0 | 111.8 | K830 L833 | K830-Y922 HydrophobicContact CB-CD1 4.42Å; L833-Y922 HydrophobicContact CB-CG 4.48Å; L833-Y922 WeakPolarHBondContact O-CB 3.28Å; L833-Y922 PolarHBondContact O-N 3.31Å |
| 923 | V | 89.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -108.3 | 125.8 | 169.5 | -173 | 0 | 0 | 0 | 0 | 108.4 | K830 L921 E927 N928 | K830-V923 HydrophobicContact CB-CG2 4.36Å; K830-V923 HydrophobicContact CD-CG2 4.25Å; K830-V923 HydrophobicContact CG-CG2 4.26Å; L921-V923 VanDerWaalsContact CB-O 3.31Å; L921-V923 WeakPolarHBondContact CB-O 3.33Å; V923-E927 HydrophobicContact CG1-CB 3.81Å; V923-N928 HydrophobicContact CB-CB 4.15Å; V923-N928 HydrophobicContact CG1-CB 4.02Å; V923-N928 WeakPolarHBondContact O-CB 3.37Å; V923-N928 PolarHBondContact O-ND2 3.09Å |
| 924 | G | 84 | Confident | 86.4 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | trans | -78.5 | 165.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E927 N928 | G924-E927 PolarHBondContact O-N 3.03Å; G924-N928 WeakPolarHBondContact O-CB 3.22Å; G924-N928 PolarHBondContact O-N 3.48Å | ||
| 925 | F | 82.6 | Confident | 86.4 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 139.3 | 167.9 | -178.4 | -91.2 | 0 | 0 | 0 | 109.6 | T747 L751 W752 Q931 L932 H935 | T747-F925 HydrophobicContact CG2-CZ 4.03Å; L751-F925 HydrophobicContact CB-CD1 3.9Å; L751-F925 HydrophobicContact CB-CE1 4.05Å; L751-F925 WeakPolarHBondContact O-CD1 3.49Å; W752-F925 AromaticContact CD1-CE1 3.89Å; W752-F925 AromaticContact CD2-CE1 3.52Å; W752-F925 HydrophobicContact CD2-CE1 3.52Å; W752-F925 HydrophobicContact CD2-CZ 4.04Å; W752-F925 AromaticContact CE2-CE1 3.32Å; W752-F925 AromaticContact CE2-CZ 3.31Å; W752-F925 HydrophobicContact CE3-CE1 4.05Å; W752-F925 AromaticContact CG-CE1 3.88Å; W752-F925 HydrophobicContact CG-CE1 3.88Å; W752-F925 HydrophobicContact CH2-CE1 4.1Å; W752-F925 HydrophobicContact CH2-CZ 4.01Å; W752-F925 AromaticContact CZ2-CE1 3.63Å; W752-F925 HydrophobicContact CZ2-CE1 3.63Å; W752-F925 HydrophobicContact CZ2-CE2 4.34Å; W752-F925 AromaticContact CZ2-CZ 3.29Å; W752-F925 HydrophobicContact CZ2-CZ 3.29Å; W752-F925 HydrophobicContact CZ3-CE1 4.32Å; W752-F925 AromaticContact NE1-CE1 3.6Å; W752-F925 AromaticContact NE1-CZ 3.5Å; F925-Q931 HydrophobicContact CD2-CB 4.22Å; F925-L932 HydrophobicContact CE2-CD1 3.94Å; F925-L932 HydrophobicContact CZ-CD1 4.42Å; F925-H935 HydrophobicContact CE2-CB 4.28Å |
| 926 | P | 80 | Confident | 86.5 | Confident | 50 Ų | 50 | 34.5 Ų | 34.5 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.6 | -2.4 | 11.2 | 37 | -37.4 | 0 | 0 | 0 | 116.2 | W752 N928 | W752-P926 HydrophobicContact CE3-CB 4.41Å; W752-P926 HydrophobicContact CH2-CB 3.46Å; W752-P926 VanDerWaalsContact CH2-CB 3.46Å; W752-P926 HydrophobicContact CH2-CG 4.17Å; W752-P926 HydrophobicContact CZ2-CB 4.32Å; W752-P926 HydrophobicContact CZ3-CB 3.55Å; W752-P926 HydrophobicContact CZ3-CG 3.75Å; P926-N928 VanDerWaalsContact C-N 3.29Å; P926-N928 PolarHBondContact O-N 3.37Å |
| 927 | E | 86 | Confident | 86.6 | Confident | 153 Ų | 153 | 34.7 Ų | 34.7 | 72% | 0.715 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.8 | -177.5 | -64.8 | -169.6 | 161.4 | 0 | 0 | 113.5 | V923 G924 N929 | V923-E927 HydrophobicContact CG1-CB 3.81Å; G924-E927 PolarHBondContact O-N 3.03Å; E927-N929 PolarHBondContact O-N 3.27Å |
| 928 | N | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -70.2 | 107.5 | 175.1 | -173.8 | -45 | 0 | 0 | 0 | 110.7 | D831 V923 G924 P926 L930 Q931 L932 | D831-N928 PolarHBondContact O-ND2 2.96Å; D831-N928 PolarHBondContact O-OD1 3.05Å; V923-N928 HydrophobicContact CB-CB 4.15Å; V923-N928 HydrophobicContact CG1-CB 4.02Å; V923-N928 WeakPolarHBondContact O-CB 3.37Å; V923-N928 PolarHBondContact O-ND2 3.09Å; G924-N928 WeakPolarHBondContact O-CB 3.22Å; G924-N928 PolarHBondContact O-N 3.48Å; P926-N928 VanDerWaalsContact C-N 3.29Å; P926-N928 PolarHBondContact O-N 3.37Å; N928-L930 VanDerWaalsContact C-N 3.35Å; N928-L930 PolarHBondContact O-N 3.15Å; N928-L930 WeakPolarHBondContact OD1-CB 3.42Å; N928-L930 PolarHBondContact OD1-N 2.68Å; N928-L930 VanDerWaalsContact OD1-N 3.08Å; N928-Q931 HydrophobicContact CB-CB 4.06Å; N928-Q931 HydrophobicContact CB-CG 4.17Å; N928-Q931 PolarHBondContact O-N 3.25Å; N928-Q931 PolarHBondContact OD1-N 3.08Å; N928-L932 WeakPolarHBondContact O-CB 3.36Å; N928-L932 PolarHBondContact O-N 3.34Å | ||
| 929 | N | 91.5 | Very high | 87.5 | Confident | 22 Ų | 22 | 38.1 Ų | 38.1 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.8 | -28.9 | -174.7 | -70.9 | -42.9 | 0 | 0 | 0 | 113.1 | F825 T826 E927 L932 M933 | F825-N929 HydrophobicContact CE2-CB 3.78Å; F825-N929 WeakPolarHBondContact CE2-OD1 3.36Å; F825-N929 HydrophobicContact CZ-CB 3.7Å; T826-N929 WeakPolarHBondContact O-CB 3.46Å; T826-N929 PolarHBondContact O-ND2 3.15Å; E927-N929 PolarHBondContact O-N 3.27Å; N929-L932 PolarHBondContact O-N 3.2Å; N929-M933 VanDerWaalsContact O-CG 3.31Å; N929-M933 WeakPolarHBondContact O-CG 3.49Å; N929-M933 PolarHBondContact O-N 2.8Å |
| 930 | L | 91.4 | Very high | 87.9 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -48.7 | 173.6 | 174.7 | 62.1 | 0 | 0 | 0 | 110.8 | M827 D831 I832 N928 L932 M933 V934 A945 M948 | M827-L930 HydrophobicContact CG-CB 4.38Å; M827-L930 HydrophobicContact SD-CB 3.98Å; M827-L930 HydrophobicContact SD-CD1 3.85Å; M827-L930 HydrophobicContact SD-CG 4.4Å; D831-L930 HydrophobicContact CB-CB 4.08Å; I832-L930 HydrophobicContact CG1-CD2 3.95Å; N928-L930 VanDerWaalsContact C-N 3.35Å; N928-L930 PolarHBondContact O-N 3.15Å; N928-L930 WeakPolarHBondContact OD1-CB 3.42Å; N928-L930 PolarHBondContact OD1-N 2.68Å; N928-L930 VanDerWaalsContact OD1-N 3.08Å; L930-L932 VanDerWaalsContact C-N 3.31Å; L930-L932 PolarHBondContact O-N 2.72Å; L930-M933 HydrophobicContact CD1-CE 4.2Å; L930-M933 PolarHBondContact O-N 3.44Å; L930-V934 HydrophobicContact CD1-CG2 4.41Å; L930-V934 WeakPolarHBondContact O-CG2 3.4Å; L930-V934 PolarHBondContact O-N 3.23Å; L930-V934 VanDerWaalsContact O-N 3.1Å; L930-A945 HydrophobicContact CD2-CB 4.46Å; L930-M948 HydrophobicContact CD1-SD 4.48Å |
| 931 | Q | 88.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | 176.5 | -68.9 | -61.3 | -28.2 | 0 | 0 | 111.7 | L921 F925 N928 M933 V934 H935 | L921-Q931 HydrophobicContact CD1-CG 3.42Å; L921-Q931 VanDerWaalsContact CD1-CG 3.42Å; F925-Q931 HydrophobicContact CD2-CB 4.22Å; N928-Q931 HydrophobicContact CB-CB 4.06Å; N928-Q931 HydrophobicContact CB-CG 4.17Å; N928-Q931 PolarHBondContact O-N 3.25Å; N928-Q931 PolarHBondContact OD1-N 3.08Å; Q931-M933 PolarHBondContact O-N 3.47Å; Q931-V934 PolarHBondContact O-N 3.14Å; Q931-H935 WeakPolarHBondContact O-CB 3.45Å; Q931-H935 PolarHBondContact O-CD2 3.44Å; Q931-H935 PolarHBondContact O-N 2.97Å; Q931-H935 PolarHBondContact OE1-CD2 3.37Å; Q931-H935 PolarHBondContact OE1-NE2 2.8Å; Q931-H935 VanDerWaalsContact OE1-NE2 3.16Å |
| 932 | L | 89.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.6 | -171.3 | 67.6 | 0 | 0 | 0 | 111.1 | V664 K665 M668 F825 F925 N928 N929 L930 V934 V936 | V664-L932 HydrophobicContact CG1-CD1 4.05Å; K665-L932 HydrophobicContact CG-CD2 4.5Å; M668-L932 HydrophobicContact CE-CD1 4.2Å; M668-L932 HydrophobicContact CE-CD2 4.44Å; F825-L932 HydrophobicContact CE2-CD2 4.33Å; F925-L932 HydrophobicContact CE2-CD1 3.94Å; F925-L932 HydrophobicContact CZ-CD1 4.42Å; N928-L932 WeakPolarHBondContact O-CB 3.36Å; N928-L932 PolarHBondContact O-N 3.34Å; N929-L932 PolarHBondContact O-N 3.2Å; L930-L932 VanDerWaalsContact C-N 3.31Å; L930-L932 PolarHBondContact O-N 2.72Å; L932-V934 PolarHBondContact O-N 2.91Å; L932-V936 HydrophobicContact CD1-CG2 3.91Å; L932-V936 HydrophobicContact CG-CG2 4.4Å; L932-V936 WeakPolarHBondContact O-CB 3.44Å; L932-V936 VanDerWaalsContact O-CG2 3.23Å; L932-V936 WeakPolarHBondContact O-CG2 3.31Å; L932-V936 PolarHBondContact O-N 3.02Å; L932-V936 VanDerWaalsContact O-N 3.12Å |
| 933 | M | 91.3 | Very high | 87.5 | Confident | 27 Ų | 27 | 34.7 Ų | 34.7 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 177.4 | -73.5 | -173.3 | -65.5 | 0 | 0 | 112.6 | I661 F825 M827 N929 L930 Q931 G937 A938 | I661-M933 HydrophobicContact CD1-CG 3.72Å; I661-M933 HydrophobicContact CD1-SD 4.29Å; I661-M933 HydrophobicContact CG1-CG 4.48Å; F825-M933 HydrophobicContact CE1-CG 4Å; F825-M933 HydrophobicContact CE1-SD 3.75Å; F825-M933 HydrophobicContact CZ-CG 3.74Å; F825-M933 HydrophobicContact CZ-SD 4.04Å; M827-M933 HydrophobicContact CB-CE 4.2Å; M827-M933 HydrophobicContact CG-CE 4.19Å; M827-M933 HydrophobicContact SD-CE 3.54Å; M827-M933 VanDerWaalsContact SD-CE 3.54Å; N929-M933 VanDerWaalsContact O-CG 3.31Å; N929-M933 WeakPolarHBondContact O-CG 3.49Å; N929-M933 PolarHBondContact O-N 2.8Å; L930-M933 HydrophobicContact CD1-CE 4.2Å; L930-M933 PolarHBondContact O-N 3.44Å; Q931-M933 PolarHBondContact O-N 3.47Å; M933-G937 CarbonylContact O-C 3.6Å; M933-G937 PolarHBondContact O-N 3.41Å; M933-G937 VanDerWaalsContact O-N 3.1Å; M933-A938 PolarHBondContact O-N 3.15Å |
| 934 | V | 90.6 | Very high | 87.5 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.2 | -50.3 | -176 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | L930 Q931 L932 G937 G941 M942 A945 | L930-V934 HydrophobicContact CD1-CG2 4.41Å; L930-V934 WeakPolarHBondContact O-CG2 3.4Å; L930-V934 PolarHBondContact O-N 3.23Å; L930-V934 VanDerWaalsContact O-N 3.1Å; Q931-V934 PolarHBondContact O-N 3.14Å; L932-V934 PolarHBondContact O-N 2.91Å; V934-G937 PolarHBondContact O-N 3.33Å; V934-G941 VanDerWaalsContact CG1-C 3.49Å; V934-M942 HydrophobicContact CG1-SD 4.39Å; V934-A945 HydrophobicContact CG2-CB 4.35Å |
| 935 | H | 86.5 | Confident | 87.7 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.4 | -38.7 | -176.2 | -77 | -55.4 | 0 | 0 | 0 | 113.1 | R746 T747 F925 Q931 G937 | R746-H935 WeakPolarHBondContact CB-O 3.38Å; T747-H935 HydrophobicContact CG2-CB 4.32Å; F925-H935 HydrophobicContact CE2-CB 4.28Å; Q931-H935 WeakPolarHBondContact O-CB 3.45Å; Q931-H935 PolarHBondContact O-CD2 3.44Å; Q931-H935 PolarHBondContact O-N 2.97Å; Q931-H935 PolarHBondContact OE1-CD2 3.37Å; Q931-H935 PolarHBondContact OE1-NE2 2.8Å; Q931-H935 VanDerWaalsContact OE1-NE2 3.16Å; H935-G937 VanDerWaalsContact C-N 3.26Å; H935-G937 PolarHBondContact O-N 3.32Å |
| 936 | V | 87.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.9 | -24.8 | 175.7 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | V660 V664 D781 K782 L932 | V660-V936 HydrophobicContact CG1-CG1 3.43Å; V660-V936 VanDerWaalsContact CG1-CG1 3.43Å; V664-V936 HydrophobicContact CB-CG1 4.35Å; V664-V936 HydrophobicContact CB-CG2 4.42Å; V664-V936 HydrophobicContact CG1-CG2 3.88Å; V664-V936 HydrophobicContact CG2-CB 4.29Å; V664-V936 HydrophobicContact CG2-CG1 3.38Å; V664-V936 HydrophobicContact CG2-CG2 3.89Å; D781-V936 HydrophobicContact CB-CG1 4.09Å; K782-V936 WeakPolarHBondContact CB-O 3.34Å; K782-V936 PolarHBondContact N-O 3.34Å; L932-V936 HydrophobicContact CD1-CG2 3.91Å; L932-V936 HydrophobicContact CG-CG2 4.4Å; L932-V936 WeakPolarHBondContact O-CB 3.44Å; L932-V936 VanDerWaalsContact O-CG2 3.23Å; L932-V936 WeakPolarHBondContact O-CG2 3.31Å; L932-V936 PolarHBondContact O-N 3.02Å; L932-V936 VanDerWaalsContact O-N 3.12Å |
| 937 | G | 87 | Confident | 88.6 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 16.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.3 | K782 M933 V934 H935 | K782-G937 WeakPolarHBondContact CD-O 3.45Å; M933-G937 CarbonylContact O-C 3.6Å; M933-G937 PolarHBondContact O-N 3.41Å; M933-G937 VanDerWaalsContact O-N 3.1Å; V934-G937 PolarHBondContact O-N 3.33Å; H935-G937 VanDerWaalsContact C-N 3.26Å; H935-G937 PolarHBondContact O-N 3.32Å |
| 938 | A | 89.2 | Confident | 88.8 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 7% | 0.066 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -63.1 | -52.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V660 I661 M933 | V660-A938 HydrophobicContact CB-CB 4.29Å; I661-A938 HydrophobicContact CD1-CB 3.84Å; I661-A938 HydrophobicContact CG1-CB 3.43Å; I661-A938 VanDerWaalsContact CG1-CB 3.43Å; M933-A938 PolarHBondContact O-N 3.15Å |
| 939 | K | 89.9 | Confident | 88.9 | Confident | 135 Ų | 135 | 30.7 Ų | 30.7 | 59% | 0.587 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -156.9 | 142.9 | 176.4 | -165.6 | 167.1 | -176.6 | 171.7 | 0 | 110.5 | ||
| 940 | G | 85.2 | Confident | 88.8 | Confident | 40 Ų | 40 | 29.7 Ų | 29.7 | 41% | 0.412 | 17% | 0.166 | S | C | . | . | trans | 81.5 | 164.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 941 | G | 86 | Confident | 88.8 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 29% | 0.289 | 16% | 0.163 | S | C | . | . | trans | -118.8 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V934 V943 N944 A945 | V934-G941 VanDerWaalsContact CG1-C 3.49Å; G941-V943 PolarHBondContact O-N 3.45Å; G941-N944 WeakPolarHBondContact O-CB 3.38Å; G941-N944 PolarHBondContact O-N 3.32Å; G941-N944 VanDerWaalsContact O-N 3.08Å; G941-A945 PolarHBondContact O-N 2.92Å | ||
| 942 | M | 86.5 | Confident | 88.8 | Confident | 67 Ų | 67 | 29.6 Ų | 29.6 | 33% | 0.33 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 179.6 | -165 | 65.5 | 159.8 | 0 | 0 | 112.2 | I917 V934 N944 A945 Q946 | I917-M942 HydrophobicContact CB-CE 4.21Å; I917-M942 HydrophobicContact CG2-CE 3.36Å; I917-M942 HydrophobicContact CG2-SD 4.35Å; V934-M942 HydrophobicContact CG1-SD 4.39Å; M942-N944 VanDerWaalsContact C-N 3.3Å; M942-N944 PolarHBondContact O-N 2.73Å; M942-A945 PolarHBondContact O-N 3.13Å; M942-Q946 VanDerWaalsContact O-CG 3.27Å; M942-Q946 WeakPolarHBondContact O-CG 3.48Å; M942-Q946 PolarHBondContact O-N 3.18Å |
| 943 | V | 86.3 | Confident | 88.8 | Confident | 44 Ų | 44 | 29.6 Ų | 29.6 | 27% | 0.267 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.7 | -41.7 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 111 | G941 A945 Q946 Q947 | G941-V943 PolarHBondContact O-N 3.45Å; V943-A945 PolarHBondContact O-N 3Å; V943-Q946 WeakPolarHBondContact O-CB 3.2Å; V943-Q946 PolarHBondContact O-N 2.66Å; V943-Q947 HydrophobicContact CG1-CG 4.28Å; V943-Q947 VanDerWaalsContact O-CG 3.28Å; V943-Q947 WeakPolarHBondContact O-CG 3.48Å; V943-Q947 PolarHBondContact O-N 3.43Å |
| 944 | N | 89.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 29.2 Ų | 29.2 | 38% | 0.38 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 179.3 | -55.8 | 39.7 | 0 | 0 | 0 | 110.8 | G941 M942 Q946 Q947 M948 | G941-N944 WeakPolarHBondContact O-CB 3.38Å; G941-N944 PolarHBondContact O-N 3.32Å; G941-N944 VanDerWaalsContact O-N 3.08Å; M942-N944 VanDerWaalsContact C-N 3.3Å; M942-N944 PolarHBondContact O-N 2.73Å; N944-Q946 VanDerWaalsContact C-N 3.32Å; N944-Q946 PolarHBondContact O-N 2.77Å; N944-Q947 PolarHBondContact O-N 2.97Å; N944-M948 VanDerWaalsContact O-CG 3.29Å; N944-M948 WeakPolarHBondContact O-CG 3.47Å; N944-M948 PolarHBondContact O-N 3.44Å |
| 945 | A | 88.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L930 V934 G941 M942 V943 M948 S949 | L930-A945 HydrophobicContact CD2-CB 4.46Å; V934-A945 HydrophobicContact CG2-CB 4.35Å; G941-A945 PolarHBondContact O-N 2.92Å; M942-A945 PolarHBondContact O-N 3.13Å; V943-A945 PolarHBondContact O-N 3Å; A945-M948 PolarHBondContact O-N 2.87Å; A945-S949 WeakPolarHBondContact O-CB 3.38Å; A945-S949 PolarHBondContact O-N 3.49Å; A945-S949 PolarHBondContact O-OG 3.22Å |
| 946 | Q | 90.1 | Very high | 88.3 | Confident | 33 Ų | 33 | 28.5 Ų | 28.5 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.8 | -41 | 175.7 | -71.4 | 168.3 | -9.4 | 0 | 0 | 112.4 | C913 I917 M942 V943 N944 M948 V950 A951 | C913-Q946 HydrophobicContact CB-CG 4.31Å; I917-Q946 HydrophobicContact CD1-CG 4.02Å; M942-Q946 VanDerWaalsContact O-CG 3.27Å; M942-Q946 WeakPolarHBondContact O-CG 3.48Å; M942-Q946 PolarHBondContact O-N 3.18Å; V943-Q946 WeakPolarHBondContact O-CB 3.2Å; V943-Q946 PolarHBondContact O-N 2.66Å; N944-Q946 VanDerWaalsContact C-N 3.32Å; N944-Q946 PolarHBondContact O-N 2.77Å; Q946-M948 VanDerWaalsContact C-N 3.35Å; Q946-V950 CarbonylContact O-C 3.57Å; Q946-V950 VanDerWaalsContact O-CA 3.27Å; Q946-V950 WeakPolarHBondContact O-CA 3.34Å; Q946-V950 VanDerWaalsContact O-CB 3.27Å; Q946-V950 WeakPolarHBondContact O-CB 3.45Å; Q946-V950 PolarHBondContact O-N 3.26Å; Q946-A951 PolarHBondContact O-N 3.19Å; Q946-A951 VanDerWaalsContact O-N 3.08Å |
| 947 | Q | 89.6 | Confident | 87.9 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.4 | -32.8 | 178.8 | -69.5 | 177.5 | -27 | 0 | 0 | 112.7 | V943 N944 A951 F991 | V943-Q947 HydrophobicContact CG1-CG 4.28Å; V943-Q947 VanDerWaalsContact O-CG 3.28Å; V943-Q947 WeakPolarHBondContact O-CG 3.48Å; V943-Q947 PolarHBondContact O-N 3.43Å; N944-Q947 PolarHBondContact O-N 2.97Å; Q947-A951 WeakPolarHBondContact CA-O 3.36Å; Q947-F991 HydrophobicContact CB-CD2 4.14Å; Q947-F991 HydrophobicContact CB-CE2 3.88Å; Q947-F991 PolarHBondContact O-N 2.96Å |
| 948 | M | 91 | Very high | 87.1 | Confident | 49 Ų | 49 | 36.2 Ų | 36.2 | 24% | 0.241 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74 | -44.9 | 175.2 | -67.7 | 174.8 | 70.8 | 0 | 0 | 112.3 | I832 L930 N944 A945 Q946 F991 L992 | I832-M948 HydrophobicContact CD1-CE 3.5Å; I832-M948 HydrophobicContact CG1-CE 3.89Å; I832-M948 HydrophobicContact CG2-CB 4Å; L930-M948 HydrophobicContact CD1-SD 4.48Å; N944-M948 VanDerWaalsContact O-CG 3.29Å; N944-M948 WeakPolarHBondContact O-CG 3.47Å; N944-M948 PolarHBondContact O-N 3.44Å; A945-M948 PolarHBondContact O-N 2.87Å; Q946-M948 VanDerWaalsContact C-N 3.35Å; M948-F991 HydrophobicContact CG-CD2 4.33Å; M948-L992 WeakPolarHBondContact O-CB 3.5Å |
| 949 | S | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -96.5 | -32.7 | -171.7 | -64.6 | 0 | 0 | 0 | 0 | 114.9 | I832 L834 A945 R990 | I832-S949 WeakPolarHBondContact O-CB 3.42Å; I832-S949 PolarHBondContact O-OG 3.28Å; L834-S949 WeakPolarHBondContact CD1-O 3.28Å; A945-S949 WeakPolarHBondContact O-CB 3.38Å; A945-S949 PolarHBondContact O-N 3.49Å; A945-S949 PolarHBondContact O-OG 3.22Å; S949-R990 WeakPolarHBondContact O-CD 3.47Å; S949-R990 PolarHBondContact O-NH1 3.28Å |
| 950 | V | 90.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -73 | -170 | -174.4 | 0 | 0 | 0 | 0 | 112.1 | R842 F846 V912 A916 I917 Q946 | R842-V950 PolarHBondContact NE-O 3.39Å; F846-V950 HydrophobicContact CZ-CG1 4.44Å; V912-V950 HydrophobicContact CG1-CG1 3.7Å; A916-V950 HydrophobicContact CB-CG2 3.68Å; I917-V950 HydrophobicContact CD1-CG2 4Å; I917-V950 HydrophobicContact CG1-CG2 4.16Å; Q946-V950 CarbonylContact O-C 3.57Å; Q946-V950 VanDerWaalsContact O-CA 3.27Å; Q946-V950 WeakPolarHBondContact O-CA 3.34Å; Q946-V950 VanDerWaalsContact O-CB 3.27Å; Q946-V950 WeakPolarHBondContact O-CB 3.45Å; Q946-V950 PolarHBondContact O-N 3.26Å |
| 951 | A | 90 | Very high | 85.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | trans | -168.7 | 156.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F846 Q946 Q947 A989 | F846-A951 HydrophobicContact CE1-CB 4.33Å; F846-A951 HydrophobicContact CE2-CB 3.82Å; F846-A951 HydrophobicContact CZ-CB 3.41Å; F846-A951 VanDerWaalsContact CZ-CB 3.41Å; Q946-A951 PolarHBondContact O-N 3.19Å; Q946-A951 VanDerWaalsContact O-N 3.08Å; Q947-A951 WeakPolarHBondContact CA-O 3.36Å; A951-A989 WeakPolarHBondContact CA-O 3.47Å | ||
| 952 | L | 89.5 | Confident | 85.6 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | trans | -64 | -43.7 | 175 | -95.7 | 66.5 | 0 | 0 | 0 | 112.8 | C987 A989 F991 L995 H1003 | L952-C987 HydrophobicContact CB-CB 3.75Å; L952-A989 PolarHBondContact N-O 3.04Å; L952-F991 HydrophobicContact CD1-CD1 4.04Å; L952-F991 HydrophobicContact CD1-CD2 4.17Å; L952-F991 HydrophobicContact CD1-CE1 3.94Å; L952-F991 HydrophobicContact CD1-CE2 4.08Å; L952-F991 HydrophobicContact CD1-CG 4.15Å; L952-F991 HydrophobicContact CD1-CZ 3.96Å; L952-F991 HydrophobicContact CD2-CE1 4.09Å; L952-F991 HydrophobicContact CD2-CZ 4.16Å; L952-F991 HydrophobicContact CG-CE1 4.3Å; L952-F991 HydrophobicContact CG-CE2 4.44Å; L952-F991 HydrophobicContact CG-CZ 4.07Å; L952-L995 HydrophobicContact CD1-CD2 3.79Å; L952-L995 HydrophobicContact CD2-CD1 3.61Å; L952-L995 HydrophobicContact CD2-CD2 3.87Å; L952-L995 HydrophobicContact CD2-CG 4.39Å; L952-L995 HydrophobicContact CG-CD2 4.4Å; L952-H1003 HydrophobicContact CD2-CB 4.34Å | ||
| 953 | G | 89.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.1 | -164 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q909 C987 | Q909-G953 VanDerWaalsContact OE1-CA 3.23Å; G953-C987 PolarHBondContact N-O 3.25Å; G953-C987 VanDerWaalsContact N-O 3.07Å; G953-C987 WeakPolarHBondContact O-CB 3.41Å; G953-C987 PolarHBondContact O-N 3.03Å |
| 954 | Q | 89.1 | Confident | 85.6 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.7 | 178.7 | 176.9 | 60.7 | 56.3 | 0 | 0 | 110.9 | L905 E956 G984 M986 | L905-Q954 VanDerWaalsContact CD1-OE1 3.24Å; Q954-E956 HydrophobicContact CG-CG 4.18Å; Q954-G984 PolarHBondContact NE2-O 3.27Å; Q954-M986 HydrophobicContact CB-SD 4Å |
| 955 | I | 88.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | trans | -83.1 | 132.3 | 172.7 | -58.6 | -59.1 | 0 | 0 | 0 | 110.3 | G985 F1002 A1006 | I955-G985 WeakPolarHBondContact CG1-O 3.48Å; I955-G985 PolarHBondContact N-O 3.38Å; I955-F1002 HydrophobicContact CG1-CB 4.26Å; I955-F1002 WeakPolarHBondContact CG2-O 3.23Å; I955-A1006 HydrophobicContact CG2-CB 3.67Å | ||
| 956 | E | 81.1 | Confident | 85.4 | Confident | 17 Ų | 17 | 43.8 Ų | 43.8 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | trans | -126.7 | 137 | -179.9 | -60 | -168 | -156.8 | 0 | 0 | 111.2 | K902 Q954 R960 G1226 | K902-E956 VanDerWaalsContact CD-OE1 3.25Å; K902-E956 WeakPolarHBondContact CD-OE1 3.49Å; K902-E956 WeakPolarHBondContact CE-OE1 3.49Å; K902-E956 WeakPolarHBondContact CE-OE2 3.44Å; K902-E956 IonicContact NZ-OE1 3.92Å; K902-E956 PolarHBondContact NZ-OE1 2.77Å; K902-E956 IonicContact NZ-OE2 3.19Å; K902-E956 PolarHBondContact NZ-OE2 3.47Å; Q954-E956 HydrophobicContact CG-CG 4.18Å; E956-R960 CarbonylContact C-O 3.6Å; E956-R960 VanDerWaalsContact CA-O 3.26Å; E956-R960 WeakPolarHBondContact CA-O 3.3Å; E956-G1226 VanDerWaalsContact OE1-CA 3.23Å; E956-G1226 WeakPolarHBondContact OE1-CA 3.46Å; E956-G1226 WeakPolarHBondContact OE2-CA 3.49Å | ||
| 957 | L | 78 | Confident | 85.3 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 120 | 179 | -57.4 | 174.1 | 0 | 0 | 0 | 107 | G959 R960 M1005 A1006 D1009 | L957-G959 PolarHBondContact O-N 3.11Å; L957-R960 PolarHBondContact N-O 2.66Å; L957-R960 PolarHBondContact O-N 3.47Å; L957-M1005 HydrophobicContact CD1-CB 4.07Å; L957-M1005 HydrophobicContact CD1-SD 4.36Å; L957-M1005 HydrophobicContact CD2-CB 3.98Å; L957-A1006 HydrophobicContact CD2-CB 4.01Å; L957-D1009 HydrophobicContact CD2-CB 4.19Å |
| 958 | E | 70.4 | Confident | 85.1 | Confident | 140 Ų | 140 | 42.4 Ų | 42.4 | 65% | 0.654 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 34.1 | -174.9 | -56.3 | -177.3 | 158.3 | 0 | 0 | 114.6 | R960 D1009 | E958-R960 VanDerWaalsContact C-N 3.27Å; E958-R960 PolarHBondContact O-N 3.39Å; E958-D1009 PolarHBondContact N-OD2 3.36Å |
| 959 | G | 68.6 | Low | 85.1 | Confident | 15 Ų | 15 | 43 Ų | 43 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | M899 L957 | M899-G959 WeakPolarHBondContact CE-O 3.37Å; L957-G959 PolarHBondContact O-N 3.11Å |
| 960 | R | 74.9 | Confident | 85.1 | Confident | 157 Ų | 157 | 43.6 Ų | 43.6 | 59% | 0.592 | 22% | 0.223 | S | C | * | . | B | Isolated β-bridge | trans | -107.9 | 167.4 | 174.8 | -61.3 | -175.7 | -177.7 | 179 | 3.6 | 111.2 | E956 L957 E958 | E956-R960 CarbonylContact C-O 3.6Å; E956-R960 VanDerWaalsContact CA-O 3.26Å; E956-R960 WeakPolarHBondContact CA-O 3.3Å; L957-R960 PolarHBondContact N-O 2.66Å; L957-R960 PolarHBondContact O-N 3.47Å; E958-R960 VanDerWaalsContact C-N 3.27Å; E958-R960 PolarHBondContact O-N 3.39Å |
| 961 | R | 85 | Confident | 85.2 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 5% | 0.045 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 171.5 | 171.9 | -67.2 | 178.4 | 64.8 | -139.6 | 10.2 | 110.4 | D898 I901 G984 | D898-R961 HydrophobicContact CB-CG 4.31Å; D898-R961 IonicContact OD1-NH1 3.79Å; I901-R961 VanDerWaalsContact CD1-NH1 3.26Å; R961-G984 PolarHBondContact NE-O 3.1Å; R961-G984 PolarHBondContact NH2-O 3.09Å |
| 962 | V | 89 | Confident | 85.3 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 128.6 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | T970 F1002 M1005 | V962-T970 HydrophobicContact CG1-CG2 4.45Å; V962-F1002 HydrophobicContact CB-CD1 4.34Å; V962-F1002 HydrophobicContact CB-CE1 4.29Å; V962-F1002 HydrophobicContact CG1-CD1 3.73Å; V962-F1002 HydrophobicContact CG1-CE1 3.51Å; V962-F1002 HydrophobicContact CG1-CZ 4.33Å; V962-F1002 HydrophobicContact CG2-CB 4.35Å; V962-F1002 HydrophobicContact CG2-CD1 3.72Å; V962-F1002 HydrophobicContact CG2-CE1 4.1Å; V962-F1002 HydrophobicContact CG2-CG 3.99Å; V962-M1005 HydrophobicContact CG1-SD 4.37Å |
| 963 | P | 86.5 | Confident | 85.4 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 153.1 | -176.7 | 27.5 | -35.8 | 0 | 0 | 0 | 112.3 | ||
| 964 | L | 87.6 | Confident | 85.6 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 133 | 173.1 | -65.5 | 164.9 | 0 | 0 | 0 | 109.9 | Y877 G968 T970 | Y877-L964 HydrophobicContact CD1-CD1 4.32Å; Y877-L964 HydrophobicContact CE1-CD1 3.52Å; L964-G968 WeakPolarHBondContact CD2-O 3.48Å; L964-T970 HydrophobicContact CD2-CG2 3.53Å; L964-T970 HydrophobicContact CG-CG2 4.43Å |
| 965 | M | 88.1 | Confident | 85.6 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 47% | 0.468 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 165.6 | 168.3 | -58.4 | 178.5 | 92.9 | 0 | 0 | 110.8 | Q881 S967 G968 K969 | Q881-M965 PolarHBondContact NE2-O 3.24Å; M965-S967 PolarHBondContact O-N 2.98Å; M965-S967 VanDerWaalsContact O-N 3.08Å; M965-G968 WeakPolarHBondContact O-CA 3.36Å; M965-G968 PolarHBondContact O-N 3.41Å; M965-K969 VanDerWaalsContact CB-O 3.23Å; M965-K969 WeakPolarHBondContact CB-O 3.47Å; M965-K969 VanDerWaalsContact CG-O 3.24Å; M965-K969 WeakPolarHBondContact CG-O 3.12Å; M965-K969 PolarHBondContact N-O 3.36Å |
| 966 | L | 85.2 | Confident | 85.6 | Confident | 147 Ų | 147 | 56.4 Ų | 56.4 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -26.9 | 175.6 | -158.1 | 77.4 | 0 | 0 | 0 | 112.7 | F882 G968 | F882-L966 HydrophobicContact CE1-CD1 3.75Å; F882-L966 HydrophobicContact CE1-CG 4.46Å; F882-L966 HydrophobicContact CZ-CD1 3.8Å; F882-L966 HydrophobicContact CZ-CG 4.08Å; F882-L966 WeakPolarHBondContact CZ-O 3.38Å; L966-G968 PolarHBondContact O-N 3.19Å |
| 967 | S | 88 | Confident | 86 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -3.9 | 174.2 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | M965 K969 | M965-S967 PolarHBondContact O-N 2.98Å; M965-S967 VanDerWaalsContact O-N 3.08Å; S967-K969 VanDerWaalsContact C-N 3.27Å; S967-K969 PolarHBondContact O-N 2.85Å |
| 968 | G | 85.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 77.4 | 7.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | L964 M965 L966 Y977 | L964-G968 WeakPolarHBondContact CD2-O 3.48Å; M965-G968 WeakPolarHBondContact O-CA 3.36Å; M965-G968 PolarHBondContact O-N 3.41Å; L966-G968 PolarHBondContact O-N 3.19Å; G968-Y977 PolarHBondContact O-N 3.11Å |
| 969 | K | 90.5 | Very high | 87.3 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | trans | -98.8 | 146.6 | 178.8 | -59.8 | -179.9 | 175.5 | -172.9 | 0 | 110.5 | M965 S967 F974 P976 | M965-K969 VanDerWaalsContact CB-O 3.23Å; M965-K969 WeakPolarHBondContact CB-O 3.47Å; M965-K969 VanDerWaalsContact CG-O 3.24Å; M965-K969 WeakPolarHBondContact CG-O 3.12Å; M965-K969 PolarHBondContact N-O 3.36Å; S967-K969 VanDerWaalsContact C-N 3.27Å; S967-K969 PolarHBondContact O-N 2.85Å; K969-F974 WeakPolarHBondContact CD-O 3.39Å; K969-F974 WeakPolarHBondContact CG-O 3.46Å; K969-P976 HydrophobicContact CD-CG 4.43Å; K969-P976 HydrophobicContact CG-CB 4.21Å; K969-P976 HydrophobicContact CG-CG 3.91Å | ||
| 970 | T | 90.6 | Very high | 88.2 | Confident | 12 Ų | 12 | 56.6 Ų | 56.6 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -80.8 | -38.4 | 168.7 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | V962 L964 F974 A983 | V962-T970 HydrophobicContact CG1-CG2 4.45Å; L964-T970 HydrophobicContact CD2-CG2 3.53Å; L964-T970 HydrophobicContact CG-CG2 4.43Å; T970-F974 VanDerWaalsContact OG1-CD2 3.31Å; T970-F974 WeakPolarHBondContact OG1-CD2 3.43Å; T970-A983 WeakPolarHBondContact CB-O 3.24Å; T970-A983 VanDerWaalsContact CG2-O 3.22Å; T970-A983 WeakPolarHBondContact CG2-O 3.27Å; T970-A983 PolarHBondContact OG1-O 2.96Å |
| 971 | L | 92.7 | Very high | 89 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -137 | 156.9 | 167.8 | -66.6 | 175.5 | 0 | 0 | 0 | 110 | S973 F974 Q998 F1001 F1002 | L971-S973 PolarHBondContact O-N 3.28Å; L971-F974 HydrophobicContact CB-CD2 3.87Å; L971-F974 HydrophobicContact CB-CE2 4.28Å; L971-F974 HydrophobicContact CD1-CE2 4.09Å; L971-F974 HydrophobicContact CG-CD2 4.4Å; L971-F974 HydrophobicContact CG-CE2 4.43Å; L971-F974 PolarHBondContact O-N 2.65Å; L971-Q998 HydrophobicContact CD1-CB 3.96Å; L971-Q998 HydrophobicContact CD1-CG 4.26Å; L971-F1001 HydrophobicContact CD1-CB 4.49Å; L971-F1001 HydrophobicContact CD1-CD1 4.23Å; L971-F1001 HydrophobicContact CD2-CD1 3.39Å; L971-F1001 HydrophobicContact CD2-CE1 3.41Å; L971-F1001 VanDerWaalsContact CD2-CE1 3.41Å; L971-F1001 HydrophobicContact CD2-CG 4.29Å; L971-F1001 HydrophobicContact CD2-CZ 4.39Å; L971-F1001 HydrophobicContact CG-CD1 4.41Å; L971-F1002 HydrophobicContact CD1-CD1 4.26Å; L971-F1002 HydrophobicContact CD1-CE1 3.52Å; L971-F1002 HydrophobicContact CD1-CE2 4.21Å; L971-F1002 HydrophobicContact CD1-CZ 3.52Å; L971-F1002 HydrophobicContact CD2-CE1 4.1Å; L971-F1002 HydrophobicContact CG-CE1 3.53Å; L971-F1002 HydrophobicContact CG-CZ 3.72Å |
| 972 | P | 91.9 | Very high | 89.2 | Confident | 98 Ų | 98 | 54.2 Ų | 54.2 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -28.6 | 175.6 | -28.3 | 35.8 | 0 | 0 | 0 | 114.2 | F974 | P972-F974 VanDerWaalsContact C-N 3.35Š|
| 973 | S | 92.2 | Very high | 89.3 | Confident | 69 Ų | 69 | 53.8 Ų | 53.8 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -18 | 178.5 | 61.1 | 0 | 0 | 0 | 0 | 115.1 | L971 Q998 | L971-S973 PolarHBondContact O-N 3.28Å; S973-Q998 WeakPolarHBondContact OG-CG 3.41Å |
| 974 | F | 92.6 | Very high | 89.3 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -97.4 | 146 | 179.6 | -66.5 | -66.1 | 0 | 0 | 0 | 111.2 | K969 T970 L971 P972 R982 A983 Q998 F1002 | K969-F974 WeakPolarHBondContact CD-O 3.39Å; K969-F974 WeakPolarHBondContact CG-O 3.46Å; T970-F974 VanDerWaalsContact OG1-CD2 3.31Å; T970-F974 WeakPolarHBondContact OG1-CD2 3.43Å; L971-F974 HydrophobicContact CB-CD2 3.87Å; L971-F974 HydrophobicContact CB-CE2 4.28Å; L971-F974 HydrophobicContact CD1-CE2 4.09Å; L971-F974 HydrophobicContact CG-CD2 4.4Å; L971-F974 HydrophobicContact CG-CE2 4.43Å; L971-F974 PolarHBondContact O-N 2.65Å; P972-F974 VanDerWaalsContact C-N 3.35Å; F974-R982 HydrophobicContact CE1-CG 4.35Å; F974-R982 HydrophobicContact CZ-CG 4.24Å; F974-A983 HydrophobicContact CB-CB 4.39Å; F974-A983 HydrophobicContact CD1-CB 3.86Å; F974-A983 HydrophobicContact CD2-CB 4.32Å; F974-A983 HydrophobicContact CE1-CB 4.21Å; F974-A983 HydrophobicContact CG-CB 3.93Å; F974-Q998 HydrophobicContact CE2-CB 4.09Å; F974-Q998 HydrophobicContact CE2-CG 4.13Å; F974-Q998 HydrophobicContact CZ-CB 4.01Å; F974-Q998 HydrophobicContact CZ-CG 4.04Å; F974-F1002 HydrophobicContact CD2-CZ 4.29Å; F974-F1002 AromaticContact CE2-CE2 3.8Å; F974-F1002 HydrophobicContact CE2-CE2 3.8Å; F974-F1002 AromaticContact CE2-CZ 3.66Å; F974-F1002 HydrophobicContact CE2-CZ 3.66Å; F974-F1002 HydrophobicContact CZ-CE2 4.34Å |
| 975 | P | 90.5 | Very high | 89.4 | Confident | 64 Ų | 64 | 48.3 Ų | 48.3 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 150.6 | 171.9 | 23.4 | -26.2 | 0 | 0 | 0 | 110.5 | Y977 D978 | P975-Y977 PolarHBondContact O-N 2.62Å; P975-D978 HydrophobicContact CG-CB 4.1Å; P975-D978 PolarHBondContact O-N 3.49Å |
| 976 | P | 89.5 | Confident | 89.6 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 28% | 0.279 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 135.8 | 176.7 | -22.5 | 32.8 | 0 | 0 | 0 | 111.7 | K874 K969 | K874-P976 WeakPolarHBondContact CE-O 3.45Å; K969-P976 HydrophobicContact CD-CG 4.43Å; K969-P976 HydrophobicContact CG-CB 4.21Å; K969-P976 HydrophobicContact CG-CG 3.91Å |
| 977 | Y | 87.9 | Confident | 89.8 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 8% | 0.082 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 38 | 178.5 | -51 | -74.8 | 0 | 0 | 0 | 114.5 | K874 Y877 R878 Q881 G968 P975 V979 | K874-Y977 HydrophobicContact CG-CD2 4.47Å; Y877-Y977 HydrophobicContact CD1-CD1 4.03Å; Y877-Y977 HydrophobicContact CD2-CD1 4.44Å; Y877-Y977 AromaticContact CG-CD1 3.85Å; Y877-Y977 HydrophobicContact CG-CD1 3.85Å; Y877-Y977 HydrophobicContact CG-CG 4.46Å; R878-Y977 HydrophobicContact CB-CE1 3.98Å; R878-Y977 HydrophobicContact CB-CE2 3.89Å; R878-Y977 HydrophobicContact CG-CE2 4.23Å; R878-Y977 WeakPolarHBondContact CG-OH 3.12Å; Q881-Y977 HydrophobicContact CB-CE1 4.31Å; Q881-Y977 PolarHBondContact OE1-OH 3.33Å; G968-Y977 PolarHBondContact O-N 3.11Å; P975-Y977 PolarHBondContact O-N 2.62Å; Y977-V979 PolarHBondContact O-N 2.87Å |
| 978 | D | 88.3 | Confident | 89.9 | Confident | 28 Ų | 28 | 36 Ų | 36 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | trans | -72.8 | 112 | 175.3 | -166.2 | -3.5 | 0 | 0 | 0 | 111.4 | P975 R980 A983 | P975-D978 HydrophobicContact CG-CB 4.1Å; P975-D978 PolarHBondContact O-N 3.49Å; D978-R980 VanDerWaalsContact C-N 3.27Å; D978-R980 PolarHBondContact O-N 2.9Å; D978-R980 VanDerWaalsContact OD1-CB 3.25Å; D978-R980 WeakPolarHBondContact OD1-CB 3.25Å; D978-R980 WeakPolarHBondContact OD1-CD 3.24Å; D978-R980 WeakPolarHBondContact OD1-CG 3.16Å; D978-R980 PolarHBondContact OD1-N 3.36Å; D978-A983 HydrophobicContact CB-CB 3.69Å | ||
| 979 | V | 87.5 | Confident | 90.2 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | trans | -80.9 | -9.2 | -179.9 | -160.8 | 0 | 0 | 0 | 0 | 112 | G853 F857 V873 Y877 I901 Y977 | G853-V979 VanDerWaalsContact O-CG1 3.3Å; G853-V979 WeakPolarHBondContact O-CG1 3.19Å; F857-V979 HydrophobicContact CB-CG1 4.06Å; F857-V979 HydrophobicContact CD2-CG1 4.1Å; F857-V979 HydrophobicContact CD2-CG2 4.11Å; F857-V979 HydrophobicContact CG-CG1 4.44Å; V873-V979 HydrophobicContact CG1-CG2 3.43Å; V873-V979 VanDerWaalsContact CG1-CG2 3.43Å; Y877-V979 HydrophobicContact CD2-CG2 3.88Å; Y877-V979 HydrophobicContact CE2-CG2 3.97Å; I901-V979 HydrophobicContact CD1-CG1 4.18Å; Y977-V979 PolarHBondContact O-N 2.87Å | ||
| 980 | R | 88.8 | Confident | 90.2 | Very high | 149 Ų | 149 | 34.6 Ų | 34.6 | 56% | 0.562 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -61.5 | 142.7 | -177.2 | -68.4 | 169.6 | 179.4 | 171.4 | 2.5 | 110.4 | D978 R982 A983 | D978-R980 VanDerWaalsContact C-N 3.27Å; D978-R980 PolarHBondContact O-N 2.9Å; D978-R980 VanDerWaalsContact OD1-CB 3.25Å; D978-R980 WeakPolarHBondContact OD1-CB 3.25Å; D978-R980 WeakPolarHBondContact OD1-CD 3.24Å; D978-R980 WeakPolarHBondContact OD1-CG 3.16Å; D978-R980 PolarHBondContact OD1-N 3.36Å; R980-R982 VanDerWaalsContact C-N 3.27Å; R980-R982 PolarHBondContact O-N 2.48Å; R980-R982 VanDerWaalsContact O-N 3.14Å; R980-A983 PolarHBondContact O-N 3.29Å |
| 981 | P | 90.3 | Very high | 90.2 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -41 | -175.7 | -31.7 | 38.1 | 0 | 0 | 0 | 114.4 | L849 L905 A983 G984 G985 M986 | L849-P981 HydrophobicContact CB-CG 4.5Å; L849-P981 WeakPolarHBondContact O-CG 3.49Å; L905-P981 HydrophobicContact CD1-CB 4.02Å; L905-P981 HydrophobicContact CD2-CB 3.68Å; L905-P981 HydrophobicContact CD2-CG 3.67Å; L905-P981 HydrophobicContact CG-CB 4.5Å; P981-A983 VanDerWaalsContact C-N 3.31Å; P981-A983 PolarHBondContact O-N 3.48Å; P981-G984 CarbonylContact O-C 3.26Å; P981-G984 PolarHBondContact O-N 3.33Å; P981-G985 PolarHBondContact O-N 3.25Å; P981-M986 VanDerWaalsContact C-CB 3.46Å; P981-M986 HydrophobicContact CB-CB 3.64Å; P981-M986 HydrophobicContact CB-CG 4.05Å; P981-M986 VanDerWaalsContact O-CB 3.24Å; P981-M986 WeakPolarHBondContact O-CB 3.48Å; P981-M986 PolarHBondContact O-N 3.01Å |
| 982 | R | 90.6 | Very high | 90.1 | Very high | 113 Ų | 113 | 39.9 Ų | 39.9 | 43% | 0.426 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -37.8 | -179.4 | -173.1 | 178.3 | 175.9 | -162.6 | -4.5 | 112.9 | F974 R980 G984 G985 Q998 | F974-R982 HydrophobicContact CE1-CG 4.35Å; F974-R982 HydrophobicContact CZ-CG 4.24Å; R980-R982 VanDerWaalsContact C-N 3.27Å; R980-R982 PolarHBondContact O-N 2.48Å; R980-R982 VanDerWaalsContact O-N 3.14Å; R982-G984 VanDerWaalsContact C-N 3.32Å; R982-G984 PolarHBondContact O-N 2.98Å; R982-G985 PolarHBondContact O-N 3.01Å; R982-Q998 VanDerWaalsContact NH2-OE1 3.11Å |
| 983 | A | 90.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -33.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | T970 F974 D978 R980 P981 F1002 | T970-A983 WeakPolarHBondContact CB-O 3.24Å; T970-A983 VanDerWaalsContact CG2-O 3.22Å; T970-A983 WeakPolarHBondContact CG2-O 3.27Å; T970-A983 PolarHBondContact OG1-O 2.96Å; F974-A983 HydrophobicContact CB-CB 4.39Å; F974-A983 HydrophobicContact CD1-CB 3.86Å; F974-A983 HydrophobicContact CD2-CB 4.32Å; F974-A983 HydrophobicContact CE1-CB 4.21Å; F974-A983 HydrophobicContact CG-CB 3.93Å; D978-A983 HydrophobicContact CB-CB 3.69Å; R980-A983 PolarHBondContact O-N 3.29Å; P981-A983 VanDerWaalsContact C-N 3.31Å; P981-A983 PolarHBondContact O-N 3.48Å; A983-F1002 WeakPolarHBondContact O-CZ 3.22Å |
| 984 | G | 87.3 | Confident | 89.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | Q954 R961 P981 R982 | Q954-G984 PolarHBondContact NE2-O 3.27Å; R961-G984 PolarHBondContact NE-O 3.1Å; R961-G984 PolarHBondContact NH2-O 3.09Å; P981-G984 CarbonylContact O-C 3.26Å; P981-G984 PolarHBondContact O-N 3.33Å; R982-G984 VanDerWaalsContact C-N 3.32Å; R982-G984 PolarHBondContact O-N 2.98Å |
| 985 | G | 89.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 8.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | I955 P981 R982 C987 | I955-G985 WeakPolarHBondContact CG1-O 3.48Å; I955-G985 PolarHBondContact N-O 3.38Å; P981-G985 PolarHBondContact O-N 3.25Å; R982-G985 PolarHBondContact O-N 3.01Å; G985-C987 PolarHBondContact O-N 3.16Å |
| 986 | M | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 105 | 172.9 | -174.1 | 65.5 | -172.8 | 0 | 0 | 110.7 | F846 L849 L905 Q909 Q954 P981 T988 | F846-M986 HydrophobicContact CE1-CE 4.26Å; L849-M986 HydrophobicContact CD1-CE 4.05Å; L849-M986 HydrophobicContact CD1-CG 4.32Å; L905-M986 HydrophobicContact CD1-CB 4.44Å; L905-M986 HydrophobicContact CD1-SD 4.46Å; Q909-M986 HydrophobicContact CB-CE 4.38Å; Q954-M986 HydrophobicContact CB-SD 4Å; P981-M986 VanDerWaalsContact C-CB 3.46Å; P981-M986 HydrophobicContact CB-CB 3.64Å; P981-M986 HydrophobicContact CB-CG 4.05Å; P981-M986 VanDerWaalsContact O-CB 3.24Å; P981-M986 WeakPolarHBondContact O-CB 3.48Å; P981-M986 PolarHBondContact O-N 3.01Å; M986-T988 HydrophobicContact CG-CG2 4.47Å |
| 987 | C | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 110.2 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | L952 G953 G985 E999 | L952-C987 HydrophobicContact CB-CB 3.75Å; G953-C987 PolarHBondContact N-O 3.25Å; G953-C987 VanDerWaalsContact N-O 3.07Å; G953-C987 WeakPolarHBondContact O-CB 3.41Å; G953-C987 PolarHBondContact O-N 3.03Å; G985-C987 PolarHBondContact O-N 3.16Å; C987-E999 WeakPolarHBondContact CA-OE2 3.37Å; C987-E999 HydrophobicContact CB-CB 4.19Å; C987-E999 HydrophobicContact CB-CG 4.11Å |
| 988 | T | 90 | Very high | 90 | Very high | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.282 | 23% | 0.225 | S | C | . | . | trans | -91.7 | -16.9 | -177 | 58.6 | 0 | 0 | 0 | 0 | 113 | R842 F846 L849 M986 E999 | R842-T988 PolarHBondContact NH2-O 2.99Å; F846-T988 HydrophobicContact CD1-CG2 4.13Å; F846-T988 HydrophobicContact CG-CG2 4.33Å; L849-T988 HydrophobicContact CD1-CG2 4.44Å; M986-T988 HydrophobicContact CG-CG2 4.47Å; T988-E999 PolarHBondContact N-OE1 3.03Å; T988-E999 PolarHBondContact N-OE2 3.26Å; T988-E999 PolarHBondContact OG1-OE1 3.37Å | ||
| 989 | A | 90.8 | Very high | 90.2 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -73.8 | 163.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A951 L952 L995 E999 | A951-A989 WeakPolarHBondContact CA-O 3.47Å; L952-A989 PolarHBondContact N-O 3.04Å; A989-L995 HydrophobicContact CB-CD2 3.78Å; A989-E999 VanDerWaalsContact CB-OE2 3.24Å; A989-E999 WeakPolarHBondContact CB-OE2 3.31Å; A989-E999 PolarHBondContact N-OE2 3.32Å; A989-E999 VanDerWaalsContact N-OE2 3.09Å | ||
| 990 | R | 91 | Very high | 90.5 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | trans | -123.5 | 158.4 | 179.2 | 56.7 | 179.6 | 177.1 | -153.9 | -6.8 | 109.1 | D839 S949 L992 T993 | D839-R990 IonicContact OD1-CZ 2.76Å; D839-R990 VanDerWaalsContact OD1-CZ 3.29Å; D839-R990 IonicContact OD1-NH1 3.35Å; D839-R990 PolarHBondContact OD1-NH1 2.88Å; D839-R990 IonicContact OD1-NH2 3.1Å; D839-R990 PolarHBondContact OD1-NH2 3.44Å; D839-R990 IonicContact OD2-NH2 2.62Å; S949-R990 WeakPolarHBondContact O-CD 3.47Å; S949-R990 PolarHBondContact O-NH1 3.28Å; R990-L992 HydrophobicContact CG-CB 4.07Å; R990-L992 PolarHBondContact O-N 3.29Å; R990-L992 VanDerWaalsContact O-N 3.11Å; R990-T993 HydrophobicContact CG-CG2 4.18Å; R990-T993 WeakPolarHBondContact CG-OG1 3.49Å; R990-T993 PolarHBondContact O-N 3.24Å; R990-T993 PolarHBondContact O-OG1 3.3Å | ||
| 991 | F | 91.4 | Very high | 90.7 | Very high | 92 Ų | 92 | 42.8 Ų | 42.8 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.1 | -31.7 | 179.9 | -67.9 | -54.8 | 0 | 0 | 0 | 113.1 | Q947 M948 L952 T993 L995 H1003 | Q947-F991 HydrophobicContact CB-CD2 4.14Å; Q947-F991 HydrophobicContact CB-CE2 3.88Å; Q947-F991 PolarHBondContact O-N 2.96Å; M948-F991 HydrophobicContact CG-CD2 4.33Å; L952-F991 HydrophobicContact CD1-CD1 4.04Å; L952-F991 HydrophobicContact CD1-CD2 4.17Å; L952-F991 HydrophobicContact CD1-CE1 3.94Å; L952-F991 HydrophobicContact CD1-CE2 4.08Å; L952-F991 HydrophobicContact CD1-CG 4.15Å; L952-F991 HydrophobicContact CD1-CZ 3.96Å; L952-F991 HydrophobicContact CD2-CE1 4.09Å; L952-F991 HydrophobicContact CD2-CZ 4.16Å; L952-F991 HydrophobicContact CG-CE1 4.3Å; L952-F991 HydrophobicContact CG-CE2 4.44Å; L952-F991 HydrophobicContact CG-CZ 4.07Å; F991-T993 VanDerWaalsContact C-N 3.31Å; F991-T993 PolarHBondContact O-N 3.5Å; F991-L995 HydrophobicContact CE1-CD1 4.4Å; F991-H1003 AromaticContact CE1-NE2 3.9Å; F991-H1003 AromaticContact CZ-NE2 3.92Å |
| 992 | L | 90.1 | Very high | 90.8 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -58.7 | -35.2 | 177 | 175.6 | 65.9 | 0 | 0 | 0 | 114.1 | L829 I832 L833 M948 R990 | L829-L992 HydrophobicContact CD1-CD1 3.43Å; L829-L992 VanDerWaalsContact CD1-CD1 3.43Å; L829-L992 HydrophobicContact CG-CD1 4.27Å; I832-L992 HydrophobicContact CG2-CB 4.39Å; I832-L992 HydrophobicContact CG2-CD2 4.38Å; L833-L992 HydrophobicContact CD2-CD1 4.47Å; L833-L992 HydrophobicContact CD2-CD2 3.71Å; M948-L992 WeakPolarHBondContact O-CB 3.5Å; R990-L992 HydrophobicContact CG-CB 4.07Å; R990-L992 PolarHBondContact O-N 3.29Å; R990-L992 VanDerWaalsContact O-N 3.11Å |
| 993 | T | 87.3 | Confident | 90.8 | Very high | 69 Ų | 69 | 40.2 Ų | 40.2 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -103.3 | 7.3 | -171.4 | 52 | 0 | 0 | 0 | 0 | 113.7 | R990 F991 | R990-T993 HydrophobicContact CG-CG2 4.18Å; R990-T993 WeakPolarHBondContact CG-OG1 3.49Å; R990-T993 PolarHBondContact O-N 3.24Å; R990-T993 PolarHBondContact O-OG1 3.3Å; F991-T993 VanDerWaalsContact C-N 3.31Å; F991-T993 PolarHBondContact O-N 3.5Å |
| 994 | S | 86.1 | Confident | 90.8 | Very high | 89 Ų | 89 | 43.3 Ų | 43.3 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | trans | 62.1 | 157 | -163.5 | 76.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 995 | L | 90.4 | Very high | 91 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -96.4 | 135.1 | 178.1 | -60.4 | 178.1 | 0 | 0 | 0 | 110.1 | L952 A989 F991 L1000 H1003 | L952-L995 HydrophobicContact CD1-CD2 3.79Å; L952-L995 HydrophobicContact CD2-CD1 3.61Å; L952-L995 HydrophobicContact CD2-CD2 3.87Å; L952-L995 HydrophobicContact CD2-CG 4.39Å; L952-L995 HydrophobicContact CG-CD2 4.4Å; A989-L995 HydrophobicContact CB-CD2 3.78Å; F991-L995 HydrophobicContact CE1-CD1 4.4Å; L995-L1000 HydrophobicContact CB-CB 4.18Å; L995-L1000 HydrophobicContact CD1-CD1 4.39Å; L995-H1003 HydrophobicContact CD1-CB 4.27Å | ||
| 996 | P | 92.4 | Very high | 90.7 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 29% | 0.292 | 26% | 0.263 | S | S | . | . | trans | -65.5 | 153.1 | 170.8 | 28.6 | -33.9 | 0 | 0 | 0 | 110.5 | Q998 E999 L1000 | P996-Q998 PolarHBondContact O-N 3.46Å; P996-E999 HydrophobicContact CG-CB 3.88Å; P996-E999 HydrophobicContact CG-CG 3.71Å; P996-E999 PolarHBondContact O-N 3.1Å; P996-L1000 PolarHBondContact O-N 2.97Å | ||
| 997 | A | 93.6 | Very high | 90.3 | Very high | 76 Ų | 76 | 48 Ų | 48 | 63% | 0.628 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -50.2 | -38.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1001 | A997-F1001 WeakPolarHBondContact O-CB 3.22Å; A997-F1001 PolarHBondContact O-N 3.24Å |
| 998 | Q | 92.9 | Very high | 90.1 | Very high | 53 Ų | 53 | 56.9 Ų | 56.9 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 177.5 | -56.4 | 88 | 5.5 | 0 | 0 | 112.5 | L971 S973 F974 R982 P996 F1001 F1002 | L971-Q998 HydrophobicContact CD1-CB 3.96Å; L971-Q998 HydrophobicContact CD1-CG 4.26Å; S973-Q998 WeakPolarHBondContact OG-CG 3.41Å; F974-Q998 HydrophobicContact CE2-CB 4.09Å; F974-Q998 HydrophobicContact CE2-CG 4.13Å; F974-Q998 HydrophobicContact CZ-CB 4.01Å; F974-Q998 HydrophobicContact CZ-CG 4.04Å; R982-Q998 VanDerWaalsContact NH2-OE1 3.11Å; P996-Q998 PolarHBondContact O-N 3.46Å; Q998-F1001 PolarHBondContact O-N 2.94Å; Q998-F1002 VanDerWaalsContact O-CD2 3.23Å; Q998-F1002 WeakPolarHBondContact O-CD2 3.37Å; Q998-F1002 WeakPolarHBondContact O-CG 3.33Å; Q998-F1002 PolarHBondContact O-N 3.05Å |
| 999 | E | 92.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.5 | -37 | 179.7 | -66.7 | -175.4 | -169.9 | 0 | 0 | 110.8 | C987 T988 A989 P996 F1001 F1002 H1003 | C987-E999 WeakPolarHBondContact CA-OE2 3.37Å; C987-E999 HydrophobicContact CB-CB 4.19Å; C987-E999 HydrophobicContact CB-CG 4.11Å; T988-E999 PolarHBondContact N-OE1 3.03Å; T988-E999 PolarHBondContact N-OE2 3.26Å; T988-E999 PolarHBondContact OG1-OE1 3.37Å; A989-E999 VanDerWaalsContact CB-OE2 3.24Å; A989-E999 WeakPolarHBondContact CB-OE2 3.31Å; A989-E999 PolarHBondContact N-OE2 3.32Å; A989-E999 VanDerWaalsContact N-OE2 3.09Å; P996-E999 HydrophobicContact CG-CB 3.88Å; P996-E999 HydrophobicContact CG-CG 3.71Å; P996-E999 PolarHBondContact O-N 3.1Å; E999-F1001 VanDerWaalsContact C-N 3.32Å; E999-F1001 PolarHBondContact O-N 3.11Å; E999-F1002 PolarHBondContact O-N 2.94Å; E999-H1003 WeakPolarHBondContact O-CB 3.4Å; E999-H1003 PolarHBondContact O-N 3.47Å |
| 1000 | L | 92.6 | Very high | 88.9 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 173.3 | -179.3 | 63.9 | 0 | 0 | 0 | 111.6 | L995 P996 H1003 S1004 | L995-L1000 HydrophobicContact CB-CB 4.18Å; L995-L1000 HydrophobicContact CD1-CD1 4.39Å; P996-L1000 PolarHBondContact O-N 2.97Å; L1000-H1003 PolarHBondContact O-N 3.35Å; L1000-S1004 WeakPolarHBondContact O-CB 3.17Å; L1000-S1004 PolarHBondContact O-N 3.28Å; L1000-S1004 PolarHBondContact O-OG 3.35Å |
| 1001 | F | 93.4 | Very high | 88.3 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 47% | 0.469 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 178.4 | -169.4 | -96.3 | 0 | 0 | 0 | 111.9 | L971 A997 Q998 E999 H1003 S1004 M1005 | L971-F1001 HydrophobicContact CD1-CB 4.49Å; L971-F1001 HydrophobicContact CD1-CD1 4.23Å; L971-F1001 HydrophobicContact CD2-CD1 3.39Å; L971-F1001 HydrophobicContact CD2-CE1 3.41Å; L971-F1001 VanDerWaalsContact CD2-CE1 3.41Å; L971-F1001 HydrophobicContact CD2-CG 4.29Å; L971-F1001 HydrophobicContact CD2-CZ 4.39Å; L971-F1001 HydrophobicContact CG-CD1 4.41Å; A997-F1001 WeakPolarHBondContact O-CB 3.22Å; A997-F1001 PolarHBondContact O-N 3.24Å; Q998-F1001 PolarHBondContact O-N 2.94Å; E999-F1001 VanDerWaalsContact C-N 3.32Å; E999-F1001 PolarHBondContact O-N 3.11Å; F1001-H1003 VanDerWaalsContact C-N 3.34Å; F1001-H1003 PolarHBondContact O-N 2.95Å; F1001-S1004 PolarHBondContact O-N 3.39Å; F1001-M1005 HydrophobicContact CD1-CE 3.89Å; F1001-M1005 HydrophobicContact CD1-CG 4.49Å; F1001-M1005 HydrophobicContact CD1-SD 4.06Å; F1001-M1005 HydrophobicContact CE1-CE 3.23Å; F1001-M1005 HydrophobicContact CE1-CG 4.45Å; F1001-M1005 HydrophobicContact CE1-SD 4.01Å; F1001-M1005 HydrophobicContact CZ-CE 4.04Å; F1001-M1005 WeakPolarHBondContact O-CG 3.43Å; F1001-M1005 PolarHBondContact O-N 2.76Å; F1001-M1005 VanDerWaalsContact O-N 3.08Å |
| 1002 | F | 92.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61 | -42.7 | 174.6 | -62.3 | -35.2 | 0 | 0 | 0 | 112.2 | I955 V962 L971 F974 A983 Q998 E999 S1004 M1005 A1006 | I955-F1002 HydrophobicContact CG1-CB 4.26Å; I955-F1002 WeakPolarHBondContact CG2-O 3.23Å; V962-F1002 HydrophobicContact CB-CD1 4.34Å; V962-F1002 HydrophobicContact CB-CE1 4.29Å; V962-F1002 HydrophobicContact CG1-CD1 3.73Å; V962-F1002 HydrophobicContact CG1-CE1 3.51Å; V962-F1002 HydrophobicContact CG1-CZ 4.33Å; V962-F1002 HydrophobicContact CG2-CB 4.35Å; V962-F1002 HydrophobicContact CG2-CD1 3.72Å; V962-F1002 HydrophobicContact CG2-CE1 4.1Å; V962-F1002 HydrophobicContact CG2-CG 3.99Å; L971-F1002 HydrophobicContact CD1-CD1 4.26Å; L971-F1002 HydrophobicContact CD1-CE1 3.52Å; L971-F1002 HydrophobicContact CD1-CE2 4.21Å; L971-F1002 HydrophobicContact CD1-CZ 3.52Å; L971-F1002 HydrophobicContact CD2-CE1 4.1Å; L971-F1002 HydrophobicContact CG-CE1 3.53Å; L971-F1002 HydrophobicContact CG-CZ 3.72Å; F974-F1002 HydrophobicContact CD2-CZ 4.29Å; F974-F1002 AromaticContact CE2-CE2 3.8Å; F974-F1002 HydrophobicContact CE2-CE2 3.8Å; F974-F1002 AromaticContact CE2-CZ 3.66Å; F974-F1002 HydrophobicContact CE2-CZ 3.66Å; F974-F1002 HydrophobicContact CZ-CE2 4.34Å; A983-F1002 WeakPolarHBondContact O-CZ 3.22Å; Q998-F1002 VanDerWaalsContact O-CD2 3.23Å; Q998-F1002 WeakPolarHBondContact O-CD2 3.37Å; Q998-F1002 WeakPolarHBondContact O-CG 3.33Å; Q998-F1002 PolarHBondContact O-N 3.05Å; E999-F1002 PolarHBondContact O-N 2.94Å; F1002-S1004 VanDerWaalsContact C-N 3.31Å; F1002-S1004 PolarHBondContact O-N 3.18Å; F1002-M1005 HydrophobicContact CD1-SD 4.11Å; F1002-M1005 WeakPolarHBondContact O-CB 3.42Å; F1002-M1005 PolarHBondContact O-N 3.41Å; F1002-A1006 PolarHBondContact O-N 2.95Å |
| 1003 | H | 90.4 | Very high | 86.9 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 30% | 0.296 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.5 | -175.9 | 50 | 0 | 0 | 0 | 112.1 | L952 F991 L995 E999 L1000 F1001 M1005 A1006 G1007 | L952-H1003 HydrophobicContact CD2-CB 4.34Å; F991-H1003 AromaticContact CE1-NE2 3.9Å; F991-H1003 AromaticContact CZ-NE2 3.92Å; L995-H1003 HydrophobicContact CD1-CB 4.27Å; E999-H1003 WeakPolarHBondContact O-CB 3.4Å; E999-H1003 PolarHBondContact O-N 3.47Å; L1000-H1003 PolarHBondContact O-N 3.35Å; F1001-H1003 VanDerWaalsContact C-N 3.34Å; F1001-H1003 PolarHBondContact O-N 2.95Å; H1003-M1005 VanDerWaalsContact C-N 3.33Å; H1003-M1005 PolarHBondContact O-N 2.9Å; H1003-A1006 PolarHBondContact O-N 3.39Å; H1003-G1007 PolarHBondContact O-N 2.97Å; H1003-G1007 VanDerWaalsContact O-N 3.16Å |
| 1004 | S | 91.1 | Very high | 86 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | L1000 F1001 F1002 A1006 G1007 R1008 | L1000-S1004 WeakPolarHBondContact O-CB 3.17Å; L1000-S1004 PolarHBondContact O-N 3.28Å; L1000-S1004 PolarHBondContact O-OG 3.35Å; F1001-S1004 PolarHBondContact O-N 3.39Å; F1002-S1004 VanDerWaalsContact C-N 3.31Å; F1002-S1004 PolarHBondContact O-N 3.18Å; S1004-A1006 PolarHBondContact O-N 3.47Å; S1004-G1007 PolarHBondContact O-N 3.38Å; S1004-R1008 PolarHBondContact O-N 3.28Å; S1004-R1008 VanDerWaalsContact O-N 3.09Å |
| 1005 | M | 90.1 | Very high | 85.3 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 29% | 0.286 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 173.7 | -69.2 | 170 | 147.3 | 0 | 0 | 111.9 | L957 V962 F1001 F1002 H1003 R1008 D1009 | L957-M1005 HydrophobicContact CD1-CB 4.07Å; L957-M1005 HydrophobicContact CD1-SD 4.36Å; L957-M1005 HydrophobicContact CD2-CB 3.98Å; V962-M1005 HydrophobicContact CG1-SD 4.37Å; F1001-M1005 HydrophobicContact CD1-CE 3.89Å; F1001-M1005 HydrophobicContact CD1-CG 4.49Å; F1001-M1005 HydrophobicContact CD1-SD 4.06Å; F1001-M1005 HydrophobicContact CE1-CE 3.23Å; F1001-M1005 HydrophobicContact CE1-CG 4.45Å; F1001-M1005 HydrophobicContact CE1-SD 4.01Å; F1001-M1005 HydrophobicContact CZ-CE 4.04Å; F1001-M1005 WeakPolarHBondContact O-CG 3.43Å; F1001-M1005 PolarHBondContact O-N 2.76Å; F1001-M1005 VanDerWaalsContact O-N 3.08Å; F1002-M1005 HydrophobicContact CD1-SD 4.11Å; F1002-M1005 WeakPolarHBondContact O-CB 3.42Å; F1002-M1005 PolarHBondContact O-N 3.41Å; H1003-M1005 VanDerWaalsContact C-N 3.33Å; H1003-M1005 PolarHBondContact O-N 2.9Å; M1005-R1008 PolarHBondContact O-N 3.02Å; M1005-D1009 PolarHBondContact O-N 3.05Å |
| 1006 | A | 84.7 | Confident | 84.3 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.4 | -34.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I955 L957 F1002 H1003 S1004 G1010 | I955-A1006 HydrophobicContact CG2-CB 3.67Å; L957-A1006 HydrophobicContact CD2-CB 4.01Å; F1002-A1006 PolarHBondContact O-N 2.95Å; H1003-A1006 PolarHBondContact O-N 3.39Å; S1004-A1006 PolarHBondContact O-N 3.47Å; A1006-G1010 PolarHBondContact O-N 3.04Å |
| 1007 | G | 83.2 | Confident | 83.1 | Confident | 36 Ų | 36 | 57 Ų | 57 | 37% | 0.371 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H1003 S1004 G1010 L1011 | H1003-G1007 PolarHBondContact O-N 2.97Å; H1003-G1007 VanDerWaalsContact O-N 3.16Å; S1004-G1007 PolarHBondContact O-N 3.38Å; G1007-G1010 PolarHBondContact O-N 3.02Å; G1007-L1011 WeakPolarHBondContact O-CG 3.36Å; G1007-L1011 PolarHBondContact O-N 2.88Å |
| 1008 | R | 86.5 | Confident | 81.9 | Confident | 187 Ų | 187 | 56.3 Ų | 56.3 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -67.1 | -38 | 178.9 | -169.1 | 173.2 | 179.9 | 171.1 | 0.9 | 112.7 | S1004 M1005 G1010 L1011 V1012 | S1004-R1008 PolarHBondContact O-N 3.28Å; S1004-R1008 VanDerWaalsContact O-N 3.09Å; M1005-R1008 PolarHBondContact O-N 3.02Å; R1008-G1010 PolarHBondContact O-N 3.23Å; R1008-L1011 PolarHBondContact O-N 3.16Å; R1008-V1012 HydrophobicContact CG-CG2 4.32Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.25Å; R1008-V1012 PolarHBondContact O-N 2.86Å |
| 1009 | D | 80.1 | Confident | 80.7 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 176.3 | -164 | 37.9 | 0 | 0 | 0 | 111.3 | L957 E958 M1005 L1011 V1012 D1013 | L957-D1009 HydrophobicContact CD2-CB 4.19Å; E958-D1009 PolarHBondContact N-OD2 3.36Å; M1005-D1009 PolarHBondContact O-N 3.05Å; D1009-L1011 PolarHBondContact O-N 3.22Å; D1009-V1012 PolarHBondContact O-N 3.36Å; D1009-D1013 PolarHBondContact O-N 2.89Å; D1009-D1013 VanDerWaalsContact O-N 3.09Å |
| 1010 | G | 74.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1006 G1007 R1008 T1014 | A1006-G1010 PolarHBondContact O-N 3.04Å; G1007-G1010 PolarHBondContact O-N 3.02Å; R1008-G1010 PolarHBondContact O-N 3.23Å; G1010-T1014 PolarHBondContact O-N 2.86Å; G1010-T1014 PolarHBondContact O-OG1 3.41Å |
| 1011 | L | 79.5 | Confident | 78.7 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.3 | -45 | 177.4 | -70 | 173.3 | 0 | 0 | 0 | 111.9 | G1007 R1008 D1009 D1013 T1014 A1015 F1220 | G1007-L1011 WeakPolarHBondContact O-CG 3.36Å; G1007-L1011 PolarHBondContact O-N 2.88Å; R1008-L1011 PolarHBondContact O-N 3.16Å; D1009-L1011 PolarHBondContact O-N 3.22Å; L1011-D1013 VanDerWaalsContact C-N 3.34Å; L1011-D1013 PolarHBondContact O-N 2.87Å; L1011-T1014 PolarHBondContact O-N 3.13Å; L1011-A1015 PolarHBondContact O-N 3.35Å; L1011-F1220 HydrophobicContact CD2-CD2 3.93Å; L1011-F1220 HydrophobicContact CD2-CE2 3.48Å; L1011-F1220 VanDerWaalsContact CD2-CE2 3.48Å; L1011-F1220 HydrophobicContact CD2-CZ 4.38Å; L1011-F1220 HydrophobicContact CG-CD2 4.31Å; L1011-F1220 HydrophobicContact CG-CE2 3.87Å |
| 1012 | V | 79.2 | Confident | 77.9 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.1 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | R1008 D1009 T1014 A1015 V1016 | R1008-V1012 HydrophobicContact CG-CG2 4.32Å; R1008-V1012 WeakPolarHBondContact O-CG2 3.25Å; R1008-V1012 PolarHBondContact O-N 2.86Å; D1009-V1012 PolarHBondContact O-N 3.36Å; V1012-T1014 VanDerWaalsContact C-N 3.3Å; V1012-T1014 PolarHBondContact O-N 3.13Å; V1012-A1015 PolarHBondContact O-N 3.01Å; V1012-V1016 HydrophobicContact CG1-CG2 4.48Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.44Å; V1012-V1016 PolarHBondContact O-N 3.29Å; V1012-V1016 VanDerWaalsContact O-N 3.08Å |
| 1013 | D | 71.2 | Confident | 77.2 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.128 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 178.8 | -100.3 | -13.2 | 0 | 0 | 0 | 113 | D1009 L1011 K1017 T1219 | D1009-D1013 PolarHBondContact O-N 2.89Å; D1009-D1013 VanDerWaalsContact O-N 3.09Å; L1011-D1013 VanDerWaalsContact C-N 3.34Å; L1011-D1013 PolarHBondContact O-N 2.87Å; D1013-K1017 HydrophobicContact CB-CD 4.45Å; D1013-K1017 VanDerWaalsContact O-CB 3.28Å; D1013-K1017 WeakPolarHBondContact O-CB 3.26Å; D1013-K1017 WeakPolarHBondContact O-CG 3.45Å; D1013-K1017 PolarHBondContact O-N 2.77Å; D1013-K1017 VanDerWaalsContact O-N 3.12Å; D1013-K1017 WeakPolarHBondContact OD1-CE 3.33Å; D1013-K1017 IonicContact OD1-NZ 3.56Å; D1013-K1017 PolarHBondContact OD1-NZ 3.05Å; D1013-K1017 IonicContact OD2-NZ 2.61Å; D1013-K1017 PolarHBondContact OD2-NZ 3.07Å; D1013-T1219 HydrophobicContact CB-CG2 3.75Å; D1013-T1219 WeakPolarHBondContact OD2-CG2 3.3Å |
| 1014 | T | 69 | Low | 76.9 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 177.1 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | G1010 L1011 V1012 V1016 T1018 L1217 | G1010-T1014 PolarHBondContact O-N 2.86Å; G1010-T1014 PolarHBondContact O-OG1 3.41Å; L1011-T1014 PolarHBondContact O-N 3.13Å; V1012-T1014 VanDerWaalsContact C-N 3.3Å; V1012-T1014 PolarHBondContact O-N 3.13Å; T1014-V1016 PolarHBondContact O-N 3.31Å; T1014-T1018 HydrophobicContact CG2-CG2 4.26Å; T1014-T1018 WeakPolarHBondContact O-CG2 3.49Å; T1014-T1018 PolarHBondContact O-OG1 2.73Å; T1014-T1018 VanDerWaalsContact O-OG1 3.13Å; T1014-L1217 HydrophobicContact CG2-CD2 4.11Å |
| 1015 | A | 71.1 | Confident | 76.7 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1011 V1012 | L1011-A1015 PolarHBondContact O-N 3.35Å; V1012-A1015 PolarHBondContact O-N 3.01Å |
| 1016 | V | 69.3 | Low | 76.5 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 47% | 0.467 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -83 | -34.8 | -175.5 | 176.5 | 0 | 0 | 0 | 0 | 113.1 | V1012 T1014 | V1012-V1016 HydrophobicContact CG1-CG2 4.48Å; V1012-V1016 WeakPolarHBondContact O-CG2 3.44Å; V1012-V1016 PolarHBondContact O-N 3.29Å; V1012-V1016 VanDerWaalsContact O-N 3.08Å; T1014-V1016 PolarHBondContact O-N 3.31Å |
| 1017 | K | 68.3 | Low | 76.6 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -91.7 | -14.7 | -168 | -66.5 | 170.3 | -173.6 | 167.3 | 0 | 114.7 | D1013 R1020 T1216 | D1013-K1017 HydrophobicContact CB-CD 4.45Å; D1013-K1017 VanDerWaalsContact O-CB 3.28Å; D1013-K1017 WeakPolarHBondContact O-CB 3.26Å; D1013-K1017 WeakPolarHBondContact O-CG 3.45Å; D1013-K1017 PolarHBondContact O-N 2.77Å; D1013-K1017 VanDerWaalsContact O-N 3.12Å; D1013-K1017 WeakPolarHBondContact OD1-CE 3.33Å; D1013-K1017 IonicContact OD1-NZ 3.56Å; D1013-K1017 PolarHBondContact OD1-NZ 3.05Å; D1013-K1017 IonicContact OD2-NZ 2.61Å; D1013-K1017 PolarHBondContact OD2-NZ 3.07Å; K1017-R1020 PolarHBondContact O-N 2.74Å; K1017-T1216 HydrophobicContact CB-CG2 3.48Å; K1017-T1216 VanDerWaalsContact CB-CG2 3.48Å |
| 1018 | T | 67.7 | Low | 77 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.1 | -47.5 | -174.9 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | T1014 R1020 S1021 G1022 T1216 | T1014-T1018 HydrophobicContact CG2-CG2 4.26Å; T1014-T1018 WeakPolarHBondContact O-CG2 3.49Å; T1014-T1018 PolarHBondContact O-OG1 2.73Å; T1014-T1018 VanDerWaalsContact O-OG1 3.13Å; T1018-R1020 VanDerWaalsContact C-N 3.27Å; T1018-R1020 PolarHBondContact O-N 3.14Å; T1018-S1021 PolarHBondContact O-N 2.84Å; T1018-S1021 VanDerWaalsContact O-N 3.15Å; T1018-S1021 PolarHBondContact O-OG 2.8Å; T1018-G1022 PolarHBondContact O-N 2.81Å; T1018-T1216 HydrophobicContact CG2-CG2 3.86Å |
| 1019 | S | 67.9 | Low | 77.3 | Confident | 38 Ų | 38 | 38.6 Ų | 38.6 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.5 | -37.6 | 178.6 | 60.5 | 0 | 0 | 0 | 0 | 113.1 | S1021 G1022 Y1023 | S1019-S1021 VanDerWaalsContact C-N 3.27Å; S1019-S1021 PolarHBondContact O-N 2.89Å; S1019-G1022 PolarHBondContact O-N 2.91Å; S1019-Y1023 PolarHBondContact O-N 3.12Å |
| 1020 | R | 68.4 | Low | 77.9 | Confident | 77 Ų | 77 | 38 Ų | 38 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -31.6 | -179.1 | -64.3 | 179.2 | 173 | -179.1 | 0.1 | 112.8 | K1017 T1018 I1234 | K1017-R1020 PolarHBondContact O-N 2.74Å; T1018-R1020 VanDerWaalsContact C-N 3.27Å; T1018-R1020 PolarHBondContact O-N 3.14Å; R1020-I1234 HydrophobicContact CB-CG2 4.48Å |
| 1021 | S | 74.4 | Confident | 78.7 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -77.8 | -33.8 | 178.6 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | T1018 S1019 Q1025 T1213 | T1018-S1021 PolarHBondContact O-N 2.84Å; T1018-S1021 VanDerWaalsContact O-N 3.15Å; T1018-S1021 PolarHBondContact O-OG 2.8Å; S1019-S1021 VanDerWaalsContact C-N 3.27Å; S1019-S1021 PolarHBondContact O-N 2.89Å; S1021-Q1025 PolarHBondContact O-N 2.63Å; S1021-Q1025 VanDerWaalsContact O-N 3.15Å; S1021-T1213 WeakPolarHBondContact OG-CG2 3.37Å |
| 1022 | G | 77.3 | Confident | 79.4 | Confident | 19 Ų | 19 | 33 Ų | 33 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -47.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1018 S1019 L1024 Q1025 R1026 D1460 | T1018-G1022 PolarHBondContact O-N 2.81Å; S1019-G1022 PolarHBondContact O-N 2.91Å; G1022-L1024 PolarHBondContact O-N 3.13Å; G1022-Q1025 WeakPolarHBondContact O-CB 3.39Å; G1022-Q1025 PolarHBondContact O-N 2.78Å; G1022-Q1025 VanDerWaalsContact O-N 3.16Å; G1022-R1026 PolarHBondContact O-N 3.02Å; G1022-D1460 VanDerWaalsContact C-OD2 3.26Å |
| 1023 | Y | 78.4 | Confident | 80 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 178.7 | -173.9 | -119.5 | 0 | 0 | 0 | 113.3 | S1019 R1026 S1027 M1242 D1460 | S1019-Y1023 PolarHBondContact O-N 3.12Å; Y1023-R1026 PolarHBondContact O-N 2.81Å; Y1023-S1027 WeakPolarHBondContact O-CB 3.06Å; Y1023-S1027 PolarHBondContact O-N 2.73Å; Y1023-S1027 PolarHBondContact O-OG 2.93Å; Y1023-M1242 HydrophobicContact CD1-CE 3.2Å; Y1023-M1242 HydrophobicContact CD1-SD 4.37Å; Y1023-M1242 HydrophobicContact CE1-CE 3.18Å; Y1023-M1242 HydrophobicContact CG-CE 4.22Å; Y1023-D1460 PolarHBondContact N-OD2 3.11Å |
| 1024 | L | 83.3 | Confident | 81 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 173.2 | 175.1 | 68.7 | 0 | 0 | 0 | 110.8 | G1022 S1027 A1028 L1237 L1241 M1242 | G1022-L1024 PolarHBondContact O-N 3.13Å; L1024-S1027 PolarHBondContact O-N 3.46Å; L1024-A1028 PolarHBondContact O-N 3.43Å; L1024-L1237 HydrophobicContact CD2-CB 4.41Å; L1024-L1241 HydrophobicContact CD1-CB 3.98Å; L1024-L1241 HydrophobicContact CD1-CD1 4.39Å; L1024-M1242 HydrophobicContact CB-SD 3.95Å; L1024-M1242 HydrophobicContact CD1-CG 3.44Å; L1024-M1242 VanDerWaalsContact CD1-CG 3.44Å; L1024-M1242 HydrophobicContact CD1-SD 3.63Å; L1024-M1242 HydrophobicContact CG-SD 4.41Å |
| 1025 | Q | 87.2 | Confident | 82.2 | Confident | 16 Ų | 16 | 28.7 Ų | 28.7 | 8% | 0.075 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 178.8 | 176.5 | 171.3 | -2.3 | 0 | 0 | 111.8 | L579 S1021 G1022 S1027 A1028 I1029 | L579-Q1025 PolarHBondContact O-NE2 3.36Å; S1021-Q1025 PolarHBondContact O-N 2.63Å; S1021-Q1025 VanDerWaalsContact O-N 3.15Å; G1022-Q1025 WeakPolarHBondContact O-CB 3.39Å; G1022-Q1025 PolarHBondContact O-N 2.78Å; G1022-Q1025 VanDerWaalsContact O-N 3.16Å; Q1025-S1027 VanDerWaalsContact C-N 3.3Å; Q1025-S1027 PolarHBondContact O-N 2.76Å; Q1025-A1028 PolarHBondContact O-N 3.32Å; Q1025-I1029 HydrophobicContact CG-CD1 3.73Å; Q1025-I1029 HydrophobicContact CG-CG1 4.34Å; Q1025-I1029 VanDerWaalsContact O-CG1 3.3Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.5Å; Q1025-I1029 PolarHBondContact O-N 3.07Å |
| 1026 | R | 84.8 | Confident | 83.3 | Confident | 37 Ų | 37 | 25.8 Ų | 25.8 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 179.3 | -179.7 | 169.2 | 171.5 | -96.2 | -13.9 | 111.9 | R450 G1022 Y1023 I1029 K1030 T1726 F1727 | R450-R1026 VanDerWaalsContact CD-NH2 3.26Å; R450-R1026 VanDerWaalsContact NH1-CZ 3.31Å; G1022-R1026 PolarHBondContact O-N 3.02Å; Y1023-R1026 PolarHBondContact O-N 2.81Å; R1026-I1029 PolarHBondContact O-N 2.88Å; R1026-K1030 PolarHBondContact O-N 2.62Å; R1026-T1726 PolarHBondContact NH2-O 3.38Å; R1026-F1727 PolarHBondContact NH2-O 3.04Å; R1026-F1727 VanDerWaalsContact NH2-O 3.16Å |
| 1027 | S | 87.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 112 | Y1023 L1024 Q1025 H1031 | Y1023-S1027 WeakPolarHBondContact O-CB 3.06Å; Y1023-S1027 PolarHBondContact O-N 2.73Å; Y1023-S1027 PolarHBondContact O-OG 2.93Å; L1024-S1027 PolarHBondContact O-N 3.46Å; Q1025-S1027 VanDerWaalsContact C-N 3.3Å; Q1025-S1027 PolarHBondContact O-N 2.76Å; S1027-H1031 PolarHBondContact O-N 2.72Å; S1027-H1031 PolarHBondContact O-ND1 3.03Å |
| 1028 | A | 91.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 23 Ų | 23 | 5% | 0.05 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1024 Q1025 K1030 H1031 L1032 A1205 F1710 | L1024-A1028 PolarHBondContact O-N 3.43Å; Q1025-A1028 PolarHBondContact O-N 3.32Å; A1028-K1030 PolarHBondContact O-N 2.69Å; A1028-H1031 PolarHBondContact O-N 2.92Å; A1028-L1032 WeakPolarHBondContact O-CB 3.45Å; A1028-L1032 WeakPolarHBondContact O-CG 3.26Å; A1028-L1032 PolarHBondContact O-N 3.47Å; A1028-L1032 VanDerWaalsContact O-N 3.13Å; A1028-A1205 HydrophobicContact CB-CB 4.06Å; A1028-F1710 HydrophobicContact CB-CD2 4.26Å; A1028-F1710 HydrophobicContact CB-CE2 4.17Å |
| 1029 | I | 93.1 | Very high | 86.6 | Confident | 37 Ų | 37 | 27 Ų | 27 | 19% | 0.19 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 178 | -71.3 | 171.9 | 0 | 0 | 0 | 110.7 | Q1025 R1026 H1031 L1032 E1033 L1202 A1205 | Q1025-I1029 HydrophobicContact CG-CD1 3.73Å; Q1025-I1029 HydrophobicContact CG-CG1 4.34Å; Q1025-I1029 VanDerWaalsContact O-CG1 3.3Å; Q1025-I1029 WeakPolarHBondContact O-CG1 3.5Å; Q1025-I1029 PolarHBondContact O-N 3.07Å; R1026-I1029 PolarHBondContact O-N 2.88Å; I1029-H1031 VanDerWaalsContact C-N 3.25Å; I1029-H1031 PolarHBondContact O-N 2.98Å; I1029-L1032 PolarHBondContact O-N 3.4Å; I1029-L1032 VanDerWaalsContact O-N 3.16Å; I1029-E1033 WeakPolarHBondContact O-CA 3.45Å; I1029-E1033 VanDerWaalsContact O-CB 3.25Å; I1029-E1033 WeakPolarHBondContact O-CB 3.08Å; I1029-E1033 PolarHBondContact O-N 3.4Å; I1029-L1202 HydrophobicContact CB-CD1 4.47Å; I1029-L1202 HydrophobicContact CD1-CD1 4.45Å; I1029-L1202 HydrophobicContact CG1-CD1 4.09Å; I1029-L1202 HydrophobicContact CG2-CD1 3.75Å; I1029-A1205 HydrophobicContact CB-CB 4.48Å; I1029-A1205 HydrophobicContact CG1-CB 3.76Å |
| 1030 | K | 91.5 | Very high | 87.7 | Confident | 23 Ų | 23 | 29.5 Ų | 29.5 | 10% | 0.1 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.7 | -27.7 | -176.9 | -78.6 | -74.5 | 162.5 | -150.4 | 0 | 114 | R1026 A1028 E1033 M1715 Q1723 F1727 S1750 | R1026-K1030 PolarHBondContact O-N 2.62Å; A1028-K1030 PolarHBondContact O-N 2.69Å; K1030-E1033 IonicContact NZ-OE1 2.73Å; K1030-E1033 IonicContact NZ-OE2 3.26Å; K1030-E1033 PolarHBondContact NZ-OE2 3.25Å; K1030-M1715 HydrophobicContact CB-CE 4.26Å; K1030-M1715 WeakPolarHBondContact O-CE 3.32Å; K1030-Q1723 PolarHBondContact O-NE2 3.29Å; K1030-F1727 HydrophobicContact CB-CD2 3.76Å; K1030-F1727 HydrophobicContact CB-CE2 4.43Å; K1030-F1727 HydrophobicContact CG-CD2 4.08Å; K1030-S1750 PolarHBondContact NZ-OG 3.34Å |
| 1031 | H | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -80.8 | -30 | 175.3 | -76.7 | 85.4 | 0 | 0 | 0 | 113.5 | S1027 A1028 I1029 Y1700 F1710 N1711 S1714 M1715 | S1027-H1031 PolarHBondContact O-N 2.72Å; S1027-H1031 PolarHBondContact O-ND1 3.03Å; A1028-H1031 PolarHBondContact O-N 2.92Å; I1029-H1031 VanDerWaalsContact C-N 3.25Å; I1029-H1031 PolarHBondContact O-N 2.98Å; H1031-Y1700 HydrophobicContact CB-CE1 3.87Å; H1031-Y1700 WeakPolarHBondContact O-CE2 3.45Å; H1031-Y1700 PolarHBondContact O-OH 2.94Å; H1031-F1710 HydrophobicContact CB-CD1 3.53Å; H1031-F1710 HydrophobicContact CB-CE1 3.73Å; H1031-F1710 AromaticContact CD2-CD1 3.93Å; H1031-F1710 AromaticContact CG-CD1 3.49Å; H1031-F1710 VanDerWaalsContact CG-CD1 3.49Å; H1031-F1710 AromaticContact ND1-CD1 3.8Å; H1031-N1711 PolarHBondContact NE2-O 2.88Å; H1031-S1714 PolarHBondContact NE2-OG 2.86Å; H1031-M1715 HydrophobicContact CB-CE 4.38Å |
| 1032 | L | 94 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -110.6 | -3.6 | -170.5 | -56.2 | 177.6 | 0 | 0 | 0 | 113.9 | A1028 I1029 D1034 L1035 G1201 A1205 I1697 Y1700 F1710 | A1028-L1032 WeakPolarHBondContact O-CB 3.45Å; A1028-L1032 WeakPolarHBondContact O-CG 3.26Å; A1028-L1032 PolarHBondContact O-N 3.47Å; A1028-L1032 VanDerWaalsContact O-N 3.13Å; I1029-L1032 PolarHBondContact O-N 3.4Å; I1029-L1032 VanDerWaalsContact O-N 3.16Å; L1032-D1034 PolarHBondContact O-N 3.42Å; L1032-L1035 HydrophobicContact CB-CD1 4.35Å; L1032-L1035 HydrophobicContact CD2-CD1 3.59Å; L1032-L1035 PolarHBondContact O-N 3.36Å; L1032-G1201 WeakPolarHBondContact CB-O 3.12Å; L1032-G1201 CarbonylContact O-C 3.6Å; L1032-G1201 VanDerWaalsContact O-CA 3.3Å; L1032-G1201 WeakPolarHBondContact O-CA 3.42Å; L1032-A1205 HydrophobicContact CD1-CB 4.15Å; L1032-I1697 HydrophobicContact CD1-CG1 3.9Å; L1032-Y1700 HydrophobicContact CD2-CD1 3.81Å; L1032-Y1700 HydrophobicContact CD2-CD2 3.7Å; L1032-Y1700 HydrophobicContact CD2-CE1 4.24Å; L1032-Y1700 HydrophobicContact CD2-CE2 4.09Å; L1032-Y1700 HydrophobicContact CD2-CG 3.51Å; L1032-F1710 HydrophobicContact CD1-CE1 4.39Å; L1032-F1710 HydrophobicContact CD1-CZ 3.99Å; L1032-F1710 HydrophobicContact CD2-CE1 4.14Å; L1032-F1710 HydrophobicContact CD2-CZ 4.37Å; L1032-F1710 HydrophobicContact CG-CE1 4.16Å; L1032-F1710 HydrophobicContact CG-CZ 4.26Å |
| 1033 | E | 92.2 | Very high | 90.3 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.1 | -175 | 58.4 | 172.7 | -138.4 | 0 | 0 | 114 | I1029 K1030 P1749 S1750 | I1029-E1033 WeakPolarHBondContact O-CA 3.45Å; I1029-E1033 VanDerWaalsContact O-CB 3.25Å; I1029-E1033 WeakPolarHBondContact O-CB 3.08Å; I1029-E1033 PolarHBondContact O-N 3.4Å; K1030-E1033 IonicContact NZ-OE1 2.73Å; K1030-E1033 IonicContact NZ-OE2 3.26Å; K1030-E1033 PolarHBondContact NZ-OE2 3.25Å; E1033-P1749 WeakPolarHBondContact O-CG 3.29Å; E1033-S1750 VanDerWaalsContact OE1-CB 3.24Å; E1033-S1750 WeakPolarHBondContact OE1-CB 3.4Å; E1033-S1750 PolarHBondContact OE1-N 3.02Å; E1033-S1750 PolarHBondContact OE1-OG 3.29Å; E1033-S1750 PolarHBondContact OE2-OG 2.98Å |
| 1034 | D | 91.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -3.1 | -178.2 | 73.2 | -34.9 | 0 | 0 | 0 | 113.9 | L1032 S1036 S1046 H1718 | L1032-D1034 PolarHBondContact O-N 3.42Å; D1034-S1036 PolarHBondContact O-N 3.44Å; D1034-S1046 VanDerWaalsContact OD2-CB 3.28Å; D1034-S1046 WeakPolarHBondContact OD2-CB 3.12Å; D1034-S1046 PolarHBondContact OD2-N 3.08Å; D1034-S1046 PolarHBondContact OD2-OG 3.47Å; D1034-H1718 IonicContact OD1-NE2 3.12Å; D1034-H1718 IonicContact OD2-CE1 3.16Å; D1034-H1718 PolarHBondContact OD2-CE1 3.27Å; D1034-H1718 VanDerWaalsContact OD2-CE1 3.31Å; D1034-H1718 IonicContact OD2-NE2 3.69Å; D1034-H1718 PolarHBondContact OD2-NE2 2.94Å; D1034-H1718 VanDerWaalsContact OD2-NE2 3.1Å |
| 1035 | L | 93.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | trans | -79 | 112.8 | 177.6 | -56.2 | -176.5 | 0 | 0 | 0 | 111.1 | L1032 V1043 R1044 D1045 I1051 V1200 G1201 L1696 Y1700 | L1032-L1035 HydrophobicContact CB-CD1 4.35Å; L1032-L1035 HydrophobicContact CD2-CD1 3.59Å; L1032-L1035 PolarHBondContact O-N 3.36Å; L1035-V1043 HydrophobicContact CB-CG1 4.17Å; L1035-R1044 WeakPolarHBondContact CA-O 3.31Å; L1035-D1045 HydrophobicContact CD2-CB 3.75Å; L1035-I1051 HydrophobicContact CD2-CG1 3.71Å; L1035-V1200 PolarHBondContact O-N 3.29Å; L1035-G1201 PolarHBondContact O-N 2.94Å; L1035-L1696 HydrophobicContact CD1-CD1 4.22Å; L1035-L1696 HydrophobicContact CD1-CG 4.44Å; L1035-Y1700 HydrophobicContact CD1-CD2 3.86Å; L1035-Y1700 HydrophobicContact CD1-CE2 4.42Å; L1035-Y1700 HydrophobicContact CD2-CD2 4.35Å; L1035-Y1700 HydrophobicContact CD2-CE2 4.43Å | ||
| 1036 | S | 93.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.4 | 174.3 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | D1034 V1043 R1044 D1198 Y1761 | D1034-S1036 PolarHBondContact O-N 3.44Å; S1036-V1043 WeakPolarHBondContact O-CA 3.47Å; S1036-R1044 PolarHBondContact N-O 3.28Å; S1036-R1044 PolarHBondContact O-N 3.41Å; S1036-R1044 VanDerWaalsContact O-N 3.07Å; S1036-D1198 WeakPolarHBondContact CA-O 3.15Å; S1036-Y1761 PolarHBondContact OG-O 2.92Å |
| 1037 | I | 93.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 126.6 | 172.5 | -61.4 | 176.3 | 0 | 0 | 0 | 108.9 | V1043 Y1055 A1194 G1197 D1198 V1200 | I1037-V1043 HydrophobicContact CG1-CG2 4.32Å; I1037-Y1055 HydrophobicContact CD1-CG 4.26Å; I1037-A1194 HydrophobicContact CD1-CB 3.37Å; I1037-G1197 PolarHBondContact O-N 3.13Å; I1037-D1198 HydrophobicContact CD1-CB 4.47Å; I1037-D1198 PolarHBondContact N-O 3.49Å; I1037-V1200 HydrophobicContact CD1-CG1 3.62Å; I1037-V1200 HydrophobicContact CG1-CG1 3.82Å; I1037-V1200 HydrophobicContact CG1-CG2 4.05Å |
| 1038 | S | 92.2 | Very high | 91.2 | Very high | 39 Ų | 39 | 31.4 Ų | 31.4 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | trans | -85 | 163.2 | 172.9 | 163 | 0 | 0 | 0 | 0 | 111.4 | D1040 G1041 T1042 | S1038-D1040 WeakPolarHBondContact CB-OD1 3.32Å; S1038-D1040 PolarHBondContact O-N 3.04Å; S1038-D1040 VanDerWaalsContact O-N 3.12Å; S1038-D1040 PolarHBondContact OG-OD1 3.18Å; S1038-G1041 PolarHBondContact O-N 2.9Å; S1038-T1042 PolarHBondContact N-O 3.46Å | ||
| 1039 | Y | 90.6 | Very high | 91.2 | Very high | 147 Ų | 147 | 35.4 Ų | 35.4 | 58% | 0.576 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.7 | -179.9 | -83.8 | -81.1 | 0 | 0 | 0 | 114.5 | G1041 P1196 C1766 F1767 | Y1039-G1041 VanDerWaalsContact C-N 3.25Å; Y1039-P1196 HydrophobicContact CD1-CB 3.85Å; Y1039-P1196 HydrophobicContact CD1-CG 3.82Å; Y1039-P1196 HydrophobicContact CD2-CB 4.36Å; Y1039-P1196 HydrophobicContact CE1-CB 4Å; Y1039-P1196 HydrophobicContact CE1-CG 4.12Å; Y1039-P1196 HydrophobicContact CG-CB 4.04Å; Y1039-P1196 HydrophobicContact CG-CG 4.36Å; Y1039-C1766 HydrophobicContact CE2-CB 4.49Å; Y1039-F1767 WeakPolarHBondContact OH-CD1 3.19Å |
| 1040 | D | 89.9 | Confident | 91.2 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 48% | 0.476 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.1 | 172.9 | 61.5 | -5 | 0 | 0 | 0 | 113.4 | S1038 T1042 R1044 | S1038-D1040 WeakPolarHBondContact CB-OD1 3.32Å; S1038-D1040 PolarHBondContact O-N 3.04Å; S1038-D1040 VanDerWaalsContact O-N 3.12Å; S1038-D1040 PolarHBondContact OG-OD1 3.18Å; D1040-T1042 VanDerWaalsContact C-N 3.3Å; D1040-T1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-T1042 PolarHBondContact OD1-N 3.45Å; D1040-T1042 VanDerWaalsContact OD1-N 3.14Å; D1040-T1042 PolarHBondContact OD1-OG1 2.65Å; D1040-T1042 PolarHBondContact OD2-OG1 2.75Å; D1040-T1042 VanDerWaalsContact OD2-OG1 3.13Å; D1040-R1044 IonicContact OD2-CZ 3.68Å; D1040-R1044 IonicContact OD2-NE 2.7Å; D1040-R1044 IonicContact OD2-NH2 3.58Å; D1040-R1044 PolarHBondContact OD2-NH2 3.31Å |
| 1041 | G | 86.1 | Confident | 91.3 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 83.9 | -1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1038 Y1039 | S1038-G1041 PolarHBondContact O-N 2.9Å; Y1039-G1041 VanDerWaalsContact C-N 3.25Å |
| 1042 | T | 93.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | trans | -78.3 | 150.6 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 111 | S1038 D1040 R1044 Q1052 F1053 | S1038-T1042 PolarHBondContact N-O 3.46Å; D1040-T1042 VanDerWaalsContact C-N 3.3Å; D1040-T1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-T1042 PolarHBondContact OD1-N 3.45Å; D1040-T1042 VanDerWaalsContact OD1-N 3.14Å; D1040-T1042 PolarHBondContact OD1-OG1 2.65Å; D1040-T1042 PolarHBondContact OD2-OG1 2.75Å; D1040-T1042 VanDerWaalsContact OD2-OG1 3.13Å; T1042-R1044 PolarHBondContact OG1-NE 3.34Å; T1042-Q1052 CarbonylContact C-O 3.53Å; T1042-Q1052 WeakPolarHBondContact CA-O 3.3Å; T1042-F1053 WeakPolarHBondContact CA-O 3.4Å | ||
| 1043 | V | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 123.4 | 171.1 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | L1035 S1036 I1037 I1051 Q1052 Y1055 V1200 L1696 | L1035-V1043 HydrophobicContact CB-CG1 4.17Å; S1036-V1043 WeakPolarHBondContact O-CA 3.47Å; I1037-V1043 HydrophobicContact CG1-CG2 4.32Å; V1043-I1051 PolarHBondContact O-N 3.2Å; V1043-Q1052 HydrophobicContact CB-CB 4.01Å; V1043-Q1052 HydrophobicContact CG2-CB 4.01Å; V1043-Q1052 PolarHBondContact N-O 3.09Å; V1043-Q1052 PolarHBondContact O-N 3.31Å; V1043-Y1055 HydrophobicContact CG2-CD2 4.4Å; V1043-V1200 HydrophobicContact CG1-CG2 3.8Å; V1043-V1200 HydrophobicContact CG2-CG2 4.2Å; V1043-L1696 HydrophobicContact CG1-CD1 3.96Å |
| 1044 | R | 92.8 | Very high | 91.3 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 26% | 0.264 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.8 | -174.4 | -61.5 | -177.2 | -178.2 | -129.8 | 9.9 | 112.2 | L1035 S1036 D1040 T1042 S1048 N1049 I1050 | L1035-R1044 WeakPolarHBondContact CA-O 3.31Å; S1036-R1044 PolarHBondContact N-O 3.28Å; S1036-R1044 PolarHBondContact O-N 3.41Å; S1036-R1044 VanDerWaalsContact O-N 3.07Å; D1040-R1044 IonicContact OD2-CZ 3.68Å; D1040-R1044 IonicContact OD2-NE 2.7Å; D1040-R1044 IonicContact OD2-NH2 3.58Å; D1040-R1044 PolarHBondContact OD2-NH2 3.31Å; T1042-R1044 PolarHBondContact OG1-NE 3.34Å; R1044-S1048 PolarHBondContact NH1-O 3.05Å; R1044-N1049 WeakPolarHBondContact CA-O 3.49Å; R1044-N1049 WeakPolarHBondContact CB-O 3.2Å; R1044-I1050 HydrophobicContact CG-CG1 4.22Å |
| 1045 | D | 90.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.043 | 26% | 0.262 | C | S | . | . | trans | -87 | 176.8 | 169.8 | 74.2 | 6.3 | 0 | 0 | 0 | 112.1 | L1035 G1047 S1048 N1049 | L1035-D1045 HydrophobicContact CD2-CB 3.75Å; D1045-G1047 PolarHBondContact O-N 3.37Å; D1045-G1047 VanDerWaalsContact OD1-CA 3.29Å; D1045-G1047 WeakPolarHBondContact OD1-CA 3.26Å; D1045-G1047 PolarHBondContact OD1-N 2.56Å; D1045-S1048 PolarHBondContact O-N 3.23Å; D1045-S1048 PolarHBondContact OD1-N 3.24Å; D1045-S1048 VanDerWaalsContact OD1-N 3.12Å; D1045-N1049 PolarHBondContact N-O 3.48Å; D1045-N1049 VanDerWaalsContact N-O 3.1Å; D1045-N1049 WeakPolarHBondContact OD1-CB 3.47Å; D1045-N1049 PolarHBondContact OD1-N 2.98Å; D1045-N1049 PolarHBondContact OD1-ND2 3.46Å; D1045-N1049 WeakPolarHBondContact OD2-CB 3.05Å; D1045-N1049 PolarHBondContact OD2-ND2 3.12Å | ||
| 1046 | S | 87.1 | Confident | 90.8 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.7 | 177.6 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | D1034 S1048 H1718 | D1034-S1046 VanDerWaalsContact OD2-CB 3.28Å; D1034-S1046 WeakPolarHBondContact OD2-CB 3.12Å; D1034-S1046 PolarHBondContact OD2-N 3.08Å; D1034-S1046 PolarHBondContact OD2-OG 3.47Å; S1046-S1048 VanDerWaalsContact C-N 3.29Å; S1046-H1718 PolarHBondContact OG-CE1 3.45Å |
| 1047 | G | 85.1 | Confident | 90.3 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 2.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1045 N1049 | D1045-G1047 PolarHBondContact O-N 3.37Å; D1045-G1047 VanDerWaalsContact OD1-CA 3.29Å; D1045-G1047 WeakPolarHBondContact OD1-CA 3.26Å; D1045-G1047 PolarHBondContact OD1-N 2.56Å; G1047-N1049 PolarHBondContact O-N 3.29Å |
| 1048 | S | 86.7 | Confident | 89.9 | Confident | 83 Ų | 83 | 58.1 Ų | 58.1 | 58% | 0.58 | 31% | 0.305 | S | S | * | . | trans | 65.3 | 16.2 | -172.1 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | R1044 D1045 S1046 | R1044-S1048 PolarHBondContact NH1-O 3.05Å; D1045-S1048 PolarHBondContact O-N 3.23Å; D1045-S1048 PolarHBondContact OD1-N 3.24Å; D1045-S1048 VanDerWaalsContact OD1-N 3.12Å; S1046-S1048 VanDerWaalsContact C-N 3.29Å | ||
| 1049 | N | 90.5 | Very high | 89.5 | Confident | 89 Ų | 89 | 57 Ų | 57 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | trans | -72.9 | 138.4 | 172.5 | -54.6 | -54.8 | 0 | 0 | 0 | 109.6 | R1044 D1045 G1047 | R1044-N1049 WeakPolarHBondContact CA-O 3.49Å; R1044-N1049 WeakPolarHBondContact CB-O 3.2Å; D1045-N1049 PolarHBondContact N-O 3.48Å; D1045-N1049 VanDerWaalsContact N-O 3.1Å; D1045-N1049 WeakPolarHBondContact OD1-CB 3.47Å; D1045-N1049 PolarHBondContact OD1-N 2.98Å; D1045-N1049 PolarHBondContact OD1-ND2 3.46Å; D1045-N1049 WeakPolarHBondContact OD2-CB 3.05Å; D1045-N1049 PolarHBondContact OD2-ND2 3.12Å; G1047-N1049 PolarHBondContact O-N 3.29Å | ||
| 1050 | I | 93.9 | Very high | 89.4 | Confident | 75 Ų | 75 | 50.2 Ų | 50.2 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.1 | 177.9 | -59.9 | 171.5 | 0 | 0 | 0 | 108.4 | R1044 Q1052 F1053 | R1044-I1050 HydrophobicContact CG-CG1 4.22Å; I1050-Q1052 WeakPolarHBondContact CG2-O 3.35Å; I1050-F1053 HydrophobicContact CG2-CD1 4.39Å; I1050-F1053 HydrophobicContact CG2-CE1 4.49Å |
| 1051 | I | 93.7 | Very high | 89.5 | Confident | 22 Ų | 22 | 47.7 Ų | 47.7 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -45.4 | 173.4 | -55.8 | -56.4 | 0 | 0 | 0 | 110.2 | L1035 V1043 L1696 D1699 Y1700 K1703 | L1035-I1051 HydrophobicContact CD2-CG1 3.71Å; V1043-I1051 PolarHBondContact O-N 3.2Å; I1051-L1696 HydrophobicContact CG2-CD1 4.13Å; I1051-D1699 HydrophobicContact CG2-CB 4.14Å; I1051-Y1700 HydrophobicContact CD1-CD2 4.42Å; I1051-K1703 HydrophobicContact CD1-CB 4.32Å; I1051-K1703 HydrophobicContact CD1-CD 3.75Å |
| 1052 | Q | 94.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142 | 174.6 | -71.6 | -173.5 | -27.9 | 0 | 0 | 110.8 | T1042 V1043 I1050 L1696 D1699 | T1042-Q1052 CarbonylContact C-O 3.53Å; T1042-Q1052 WeakPolarHBondContact CA-O 3.3Å; V1043-Q1052 HydrophobicContact CB-CB 4.01Å; V1043-Q1052 HydrophobicContact CG2-CB 4.01Å; V1043-Q1052 PolarHBondContact N-O 3.09Å; V1043-Q1052 PolarHBondContact O-N 3.31Å; I1050-Q1052 WeakPolarHBondContact CG2-O 3.35Å; Q1052-L1696 HydrophobicContact CG-CD1 3.98Å; Q1052-L1696 VanDerWaalsContact NE2-CA 3.26Å; Q1052-D1699 HydrophobicContact CG-CB 4.25Å; Q1052-D1699 WeakPolarHBondContact CG-OD2 3.47Å; Q1052-D1699 PolarHBondContact NE2-OD2 2.79Å |
| 1053 | F | 93.2 | Very high | 89.5 | Confident | 165 Ų | 165 | 46.8 Ų | 46.8 | 72% | 0.724 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -72.2 | -32.7 | 173.4 | -70.6 | -75.2 | 0 | 0 | 0 | 112.9 | T1042 I1050 | T1042-F1053 WeakPolarHBondContact CA-O 3.4Å; I1050-F1053 HydrophobicContact CG2-CD1 4.39Å; I1050-F1053 HydrophobicContact CG2-CE1 4.49Å |
| 1054 | R | 90.3 | Very high | 89.1 | Confident | 138 Ų | 138 | 49 Ų | 49 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -144 | 139.5 | 171.4 | -73.3 | -170.2 | 173.1 | -171 | -2.6 | 108.7 | G1056 D1057 | R1054-G1056 PolarHBondContact O-N 3.05Å; R1054-G1056 VanDerWaalsContact O-N 3.1Å; R1054-D1057 PolarHBondContact O-N 3.27Å; R1054-D1057 VanDerWaalsContact O-N 3.15Å |
| 1055 | Y | 89.8 | Confident | 88.7 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 117.8 | 177.2 | 174.6 | -116 | 0 | 0 | 0 | 110.8 | I1037 V1043 D1057 G1059 V1062 A1194 V1200 R1692 H1693 L1696 | I1037-Y1055 HydrophobicContact CD1-CG 4.26Å; V1043-Y1055 HydrophobicContact CG2-CD2 4.4Å; Y1055-D1057 PolarHBondContact O-N 3.45Å; Y1055-G1059 VanDerWaalsContact O-CA 3.28Å; Y1055-G1059 WeakPolarHBondContact O-CA 3.49Å; Y1055-G1059 PolarHBondContact O-N 3.04Å; Y1055-V1062 HydrophobicContact CE1-CG2 4.44Å; Y1055-A1194 HydrophobicContact CD1-CB 4.1Å; Y1055-V1200 HydrophobicContact CD1-CG1 4.44Å; Y1055-V1200 HydrophobicContact CD2-CB 3.91Å; Y1055-V1200 HydrophobicContact CD2-CG1 3.82Å; Y1055-V1200 HydrophobicContact CD2-CG2 4.09Å; Y1055-V1200 HydrophobicContact CE1-CG1 4.35Å; Y1055-V1200 HydrophobicContact CE2-CB 3.68Å; Y1055-V1200 HydrophobicContact CE2-CG1 3.73Å; Y1055-V1200 HydrophobicContact CE2-CG2 4.31Å; Y1055-V1200 HydrophobicContact CG-CG1 4.18Å; Y1055-R1692 HydrophobicContact CE1-CB 4.31Å; Y1055-R1692 HydrophobicContact CE2-CB 4.48Å; Y1055-H1693 PolarHBondContact OH-CE1 3.41Å; Y1055-H1693 PolarHBondContact OH-ND1 3.34Å; Y1055-H1693 VanDerWaalsContact OH-ND1 3.14Å; Y1055-L1696 HydrophobicContact CE2-CD2 4.34Å |
| 1056 | G | 84.5 | Confident | 88.3 | Confident | 10 Ų | 10 | 46.9 Ų | 46.9 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1054 D1058 | R1054-G1056 PolarHBondContact O-N 3.05Å; R1054-G1056 VanDerWaalsContact O-N 3.1Å; G1056-D1058 PolarHBondContact O-N 3.18Å |
| 1057 | D | 84.1 | Confident | 88.3 | Confident | 112 Ų | 112 | 46.2 Ų | 46.2 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -27.3 | -176.5 | -55.8 | -38.8 | 0 | 0 | 0 | 116 | R1054 Y1055 | R1054-D1057 PolarHBondContact O-N 3.27Å; R1054-D1057 VanDerWaalsContact O-N 3.15Å; Y1055-D1057 PolarHBondContact O-N 3.45Å |
| 1058 | D | 83.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -18 | -178.2 | 67.2 | 2.6 | 0 | 0 | 0 | 115 | G1056 V1060 R1692 | G1056-D1058 PolarHBondContact O-N 3.18Å; D1058-V1060 VanDerWaalsContact C-N 3.32Å; D1058-V1060 HydrophobicContact CB-CG2 4.31Å; D1058-V1060 PolarHBondContact OD1-N 2.95Å; D1058-R1692 IonicContact OD1-CZ 3.02Å; D1058-R1692 IonicContact OD1-NE 3.89Å; D1058-R1692 PolarHBondContact OD1-NE 3.2Å; D1058-R1692 IonicContact OD1-NH2 3.11Å; D1058-R1692 IonicContact OD2-CZ 3.39Å; D1058-R1692 IonicContact OD2-NE 3.41Å; D1058-R1692 PolarHBondContact OD2-NE 3.42Å; D1058-R1692 IonicContact OD2-NH2 3.7Å; D1058-R1692 PolarHBondContact OD2-NH2 2.91Å |
| 1059 | G | 85.3 | Confident | 88.1 | Confident | 17 Ų | 17 | 47 Ų | 47 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | trans | 75.5 | 13.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1055 Q1193 A1194 | Y1055-G1059 VanDerWaalsContact O-CA 3.28Å; Y1055-G1059 WeakPolarHBondContact O-CA 3.49Å; Y1055-G1059 PolarHBondContact O-N 3.04Å; G1059-Q1193 WeakPolarHBondContact O-CA 3.16Å; G1059-A1194 PolarHBondContact O-N 3.46Å | ||
| 1060 | V | 88 | Confident | 87.6 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -93.1 | 135.1 | -175.8 | 179.3 | 0 | 0 | 0 | 0 | 111 | D1058 V1062 A1065 I1189 A1192 R1692 | D1058-V1060 VanDerWaalsContact C-N 3.32Å; D1058-V1060 HydrophobicContact CB-CG2 4.31Å; D1058-V1060 PolarHBondContact OD1-N 2.95Å; V1060-V1062 PolarHBondContact O-N 3.35Å; V1060-A1065 HydrophobicContact CG1-CB 4.26Å; V1060-I1189 HydrophobicContact CG2-CG2 4.29Å; V1060-A1192 HydrophobicContact CG1-CB 4.05Å; V1060-R1692 WeakPolarHBondContact O-CD 3.25Å; V1060-R1692 PolarHBondContact O-NE 3.39Å |
| 1061 | D | 91 | Very high | 87 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.193 | 24% | 0.241 | C | C | . | . | trans | -63.6 | 131.5 | 171.9 | 176.4 | 7.9 | 0 | 0 | 0 | 110.6 | C1063 Q1064 A1065 A1192 A1194 | D1061-C1063 PolarHBondContact O-N 3.46Å; D1061-C1063 PolarHBondContact OD1-N 3.38Å; D1061-Q1064 HydrophobicContact CB-CB 4.42Å; D1061-Q1064 HydrophobicContact CB-CG 4.23Å; D1061-Q1064 PolarHBondContact O-N 3.47Å; D1061-A1065 PolarHBondContact O-N 2.88Å; D1061-A1192 PolarHBondContact N-O 2.92Å; D1061-A1194 HydrophobicContact CB-CB 4.33Å | ||
| 1062 | V | 90.7 | Very high | 86.5 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -55.4 | -38.1 | 178.1 | 178 | 0 | 0 | 0 | 0 | 111.6 | P646 Y1055 V1060 Q1064 A1065 N1690 R1692 | P646-V1062 VanDerWaalsContact O-CG1 3.23Å; P646-V1062 WeakPolarHBondContact O-CG1 3.42Å; Y1055-V1062 HydrophobicContact CE1-CG2 4.44Å; V1060-V1062 PolarHBondContact O-N 3.35Å; V1062-Q1064 PolarHBondContact O-N 3.26Å; V1062-A1065 PolarHBondContact O-N 3.42Å; V1062-N1690 HydrophobicContact CG1-CB 3.71Å; V1062-N1690 HydrophobicContact CG2-CB 4.17Å; V1062-R1692 HydrophobicContact CG2-CB 4.22Å |
| 1063 | C | 89 | Confident | 86.2 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 14% | 0.142 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -65.5 | -29 | 179.5 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | L644 D1061 | L644-C1063 HydrophobicContact CB-CB 4.26Å; L644-C1063 HydrophobicContact CD1-CB 4.08Å; L644-C1063 VanDerWaalsContact CD1-O 3.24Å; L644-C1063 WeakPolarHBondContact CD1-O 3.42Å; D1061-C1063 PolarHBondContact O-N 3.46Å; D1061-C1063 PolarHBondContact OD1-N 3.38Å |
| 1064 | Q | 87.2 | Confident | 85.9 | Confident | 45 Ų | 45 | 40.7 Ų | 40.7 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -93.4 | -10.3 | -177.1 | -61.6 | -62.4 | -29.7 | 0 | 0 | 113.4 | D1061 V1062 K1188 A1192 | D1061-Q1064 HydrophobicContact CB-CB 4.42Å; D1061-Q1064 HydrophobicContact CB-CG 4.23Å; D1061-Q1064 PolarHBondContact O-N 3.47Å; V1062-Q1064 PolarHBondContact O-N 3.26Å; Q1064-K1188 VanDerWaalsContact O-CE 3.3Å; Q1064-K1188 WeakPolarHBondContact O-CE 3.28Å; Q1064-A1192 HydrophobicContact CB-CB 3.52Å; Q1064-A1192 HydrophobicContact CG-CB 4.27Å |
| 1065 | A | 85.2 | Confident | 85.8 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | trans | -77.7 | -16.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1060 D1061 V1062 F1067 L1068 | V1060-A1065 HydrophobicContact CG1-CB 4.26Å; D1061-A1065 PolarHBondContact O-N 2.88Å; V1062-A1065 PolarHBondContact O-N 3.42Å; A1065-F1067 VanDerWaalsContact C-N 3.31Å; A1065-F1067 PolarHBondContact O-N 2.83Å; A1065-L1068 WeakPolarHBondContact O-CB 3.45Å; A1065-L1068 PolarHBondContact O-N 2.88Å | ||
| 1066 | G | 82 | Confident | 85.8 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1067 | F | 86.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.9 | 178.6 | -79.7 | -96.9 | 0 | 0 | 0 | 114.2 | H794 E798 A1065 Q1069 G1072 F1075 F1076 | H794-F1067 AromaticContact CD2-CE2 3.5Å; H794-F1067 AromaticContact CE1-CE2 3.73Å; H794-F1067 AromaticContact CG-CE2 3.83Å; H794-F1067 AromaticContact ND1-CE2 3.98Å; H794-F1067 AromaticContact NE2-CE2 3.43Å; H794-F1067 WeakPolarHBondContact NE2-CE2 3.05Å; E798-F1067 HydrophobicContact CB-CD2 4.05Å; E798-F1067 HydrophobicContact CB-CE1 4.44Å; E798-F1067 HydrophobicContact CB-CE2 3.61Å; E798-F1067 HydrophobicContact CB-CZ 3.86Å; E798-F1067 HydrophobicContact CG-CD1 4.3Å; E798-F1067 HydrophobicContact CG-CD2 3.74Å; E798-F1067 HydrophobicContact CG-CE1 4.43Å; E798-F1067 HydrophobicContact CG-CE2 3.84Å; E798-F1067 HydrophobicContact CG-CG 3.99Å; E798-F1067 HydrophobicContact CG-CZ 4.22Å; A1065-F1067 VanDerWaalsContact C-N 3.31Å; A1065-F1067 PolarHBondContact O-N 2.83Å; F1067-Q1069 PolarHBondContact O-N 2.87Å; F1067-G1072 CarbonylContact O-C 3.13Å; F1067-G1072 VanDerWaalsContact O-CA 3.28Å; F1067-G1072 WeakPolarHBondContact O-CA 3.34Å; F1067-F1075 AromaticContact CD1-CD1 3.87Å; F1067-F1075 HydrophobicContact CD1-CD1 3.87Å; F1067-F1075 HydrophobicContact CE1-CB 4.44Å; F1067-F1075 AromaticContact CE1-CD1 3.6Å; F1067-F1075 HydrophobicContact CE1-CD1 3.6Å; F1067-F1075 HydrophobicContact CE1-CE1 4.06Å; F1067-F1075 HydrophobicContact CE1-CG 4.14Å; F1067-F1076 HydrophobicContact CB-CE1 3.89Å; F1067-F1076 HydrophobicContact CB-CE2 4.14Å; F1067-F1076 HydrophobicContact CB-CZ 3.38Å; F1067-F1076 HydrophobicContact CD1-CE1 4.1Å; F1067-F1076 HydrophobicContact CD1-CZ 4.44Å; F1067-F1076 HydrophobicContact CG-CE1 4.21Å; F1067-F1076 HydrophobicContact CG-CZ 4.19Å |
| 1068 | L | 84.8 | Confident | 86 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.141 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -79.5 | 42.7 | 173.5 | -62.9 | 175.7 | 0 | 0 | 0 | 111.8 | A1065 K1188 I1189 | A1065-L1068 WeakPolarHBondContact O-CB 3.45Å; A1065-L1068 PolarHBondContact O-N 2.88Å; L1068-K1188 HydrophobicContact CD2-CG 4.03Å; L1068-I1189 HydrophobicContact CD1-CG1 4.19Å; L1068-I1189 HydrophobicContact CD2-CG1 4.5Å |
| 1069 | Q | 83 | Confident | 86.2 | Confident | 108 Ų | 108 | 28 Ų | 28 | 51% | 0.505 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -129.3 | 162.8 | 178.2 | -65.6 | -174.9 | 2.2 | 0 | 0 | 108.8 | F1067 I1071 G1072 L1073 | F1067-Q1069 PolarHBondContact O-N 2.87Å; Q1069-I1071 PolarHBondContact O-N 2.84Å; Q1069-G1072 PolarHBondContact O-N 3.06Å; Q1069-L1073 WeakPolarHBondContact O-CG 3.26Å; Q1069-L1073 PolarHBondContact O-N 3.37Å |
| 1070 | P | 80.4 | Confident | 86.3 | Confident | 65 Ų | 65 | 27.9 Ų | 27.9 | 42% | 0.422 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -51.1 | -38.9 | -176.9 | -29.4 | 35.7 | 0 | 0 | 0 | 114.1 | L1073 H1074 M1115 | P1070-L1073 PolarHBondContact O-N 3.24Å; P1070-H1074 PolarHBondContact O-CD2 3.26Å; P1070-H1074 PolarHBondContact O-N 3.06Å; P1070-H1074 VanDerWaalsContact O-N 3.07Å; P1070-M1115 HydrophobicContact CG-SD 4.11Å |
| 1071 | I | 80.7 | Confident | 86.2 | Confident | 85 Ų | 85 | 32.7 Ų | 32.7 | 44% | 0.436 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65 | -44.4 | 178.9 | -59.7 | 170.8 | 0 | 0 | 0 | 111.3 | T790 Q1069 H1074 F1075 | T790-I1071 HydrophobicContact CG2-CB 4.46Å; T790-I1071 HydrophobicContact CG2-CG2 3.86Å; Q1069-I1071 PolarHBondContact O-N 2.84Å; I1071-H1074 WeakPolarHBondContact O-CB 3.48Å; I1071-H1074 PolarHBondContact O-N 3.15Å; I1071-F1075 PolarHBondContact O-N 3.38Å |
| 1072 | G | 84 | Confident | 86.1 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.5 | -33.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1067 Q1069 H1074 F1075 F1076 | F1067-G1072 CarbonylContact O-C 3.13Å; F1067-G1072 VanDerWaalsContact O-CA 3.28Å; F1067-G1072 WeakPolarHBondContact O-CA 3.34Å; Q1069-G1072 PolarHBondContact O-N 3.06Å; G1072-H1074 VanDerWaalsContact C-N 3.31Å; G1072-H1074 PolarHBondContact O-N 3.46Å; G1072-F1075 WeakPolarHBondContact O-CB 3.4Å; G1072-F1075 PolarHBondContact O-N 2.91Å; G1072-F1075 VanDerWaalsContact O-N 3.14Å; G1072-F1076 VanDerWaalsContact O-CG 3.3Å; G1072-F1076 WeakPolarHBondContact O-CG 3.38Å; G1072-F1076 PolarHBondContact O-N 2.84Å |
| 1073 | L | 86.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 171.9 | -65.6 | -178.8 | 0 | 0 | 0 | 112.1 | Q1069 P1070 F1075 F1076 A1077 M1115 V1119 C1185 | Q1069-L1073 WeakPolarHBondContact O-CG 3.26Å; Q1069-L1073 PolarHBondContact O-N 3.37Å; P1070-L1073 PolarHBondContact O-N 3.24Å; L1073-F1075 VanDerWaalsContact C-N 3.35Å; L1073-F1076 HydrophobicContact CD2-CD2 4Å; L1073-F1076 HydrophobicContact CD2-CE2 4.45Å; L1073-F1076 PolarHBondContact O-N 2.87Å; L1073-A1077 VanDerWaalsContact O-CB 3.31Å; L1073-A1077 WeakPolarHBondContact O-CB 3.35Å; L1073-A1077 PolarHBondContact O-N 3.49Å; L1073-M1115 HydrophobicContact CD1-CB 3.65Å; L1073-V1119 HydrophobicContact CB-CB 4.42Å; L1073-V1119 HydrophobicContact CB-CG1 4.26Å; L1073-V1119 HydrophobicContact CB-CG2 4.09Å; L1073-C1185 WeakPolarHBondContact CD2-SG 3.38Å |
| 1074 | H | 86.9 | Confident | 85.7 | Confident | 71 Ų | 71 | 31.5 Ų | 31.5 | 33% | 0.329 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.7 | -44.5 | 172 | -83.4 | -69.3 | 0 | 0 | 0 | 111.8 | P1070 I1071 G1072 A1077 D1078 | P1070-H1074 PolarHBondContact O-CD2 3.26Å; P1070-H1074 PolarHBondContact O-N 3.06Å; P1070-H1074 VanDerWaalsContact O-N 3.07Å; I1071-H1074 WeakPolarHBondContact O-CB 3.48Å; I1071-H1074 PolarHBondContact O-N 3.15Å; G1072-H1074 VanDerWaalsContact C-N 3.31Å; G1072-H1074 PolarHBondContact O-N 3.46Å; H1074-A1077 WeakPolarHBondContact O-CB 3.39Å; H1074-A1077 PolarHBondContact O-N 2.84Å; H1074-D1078 PolarHBondContact O-N 3.38Å |
| 1075 | F | 89 | Confident | 85.6 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.8 | 173.4 | -107.5 | 0 | 0 | 0 | 112.9 | L738 A740 C795 E798 A799 F1067 I1071 G1072 L1073 A1077 D1078 N1079 M1083 | L738-F1075 HydrophobicContact CD1-CE2 3.67Å; L738-F1075 HydrophobicContact CD1-CZ 3.73Å; A740-F1075 HydrophobicContact CB-CD2 4.45Å; A740-F1075 HydrophobicContact CB-CE2 4.36Å; C795-F1075 HydrophobicContact CB-CD2 4.45Å; C795-F1075 HydrophobicContact CB-CE2 3.79Å; C795-F1075 HydrophobicContact CB-CZ 3.82Å; E798-F1075 HydrophobicContact CB-CE1 4.36Å; E798-F1075 HydrophobicContact CG-CE1 4.38Å; A799-F1075 HydrophobicContact CB-CZ 4.23Å; F1067-F1075 AromaticContact CD1-CD1 3.87Å; F1067-F1075 HydrophobicContact CD1-CD1 3.87Å; F1067-F1075 HydrophobicContact CE1-CB 4.44Å; F1067-F1075 AromaticContact CE1-CD1 3.6Å; F1067-F1075 HydrophobicContact CE1-CD1 3.6Å; F1067-F1075 HydrophobicContact CE1-CE1 4.06Å; F1067-F1075 HydrophobicContact CE1-CG 4.14Å; I1071-F1075 PolarHBondContact O-N 3.38Å; G1072-F1075 WeakPolarHBondContact O-CB 3.4Å; G1072-F1075 PolarHBondContact O-N 2.91Å; G1072-F1075 VanDerWaalsContact O-N 3.14Å; L1073-F1075 VanDerWaalsContact C-N 3.35Å; F1075-A1077 VanDerWaalsContact C-N 3.32Å; F1075-D1078 PolarHBondContact O-N 2.98Å; F1075-N1079 WeakPolarHBondContact CD2-ND2 3.39Å; F1075-N1079 WeakPolarHBondContact CE2-ND2 3.49Å; F1075-N1079 PolarHBondContact O-N 3.14Å; F1075-N1079 VanDerWaalsContact O-N 3.1Å; F1075-N1079 PolarHBondContact O-ND2 3.48Å; F1075-M1083 HydrophobicContact CD1-CE 4Å; F1075-M1083 HydrophobicContact CE1-CE 3.23Å; F1075-M1083 HydrophobicContact CZ-CE 3.8Å |
| 1076 | F | 89.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.3 | -65.4 | -16.9 | 0 | 0 | 0 | 111.7 | E798 F1067 G1072 L1073 D1078 N1079 I1080 M1083 W1087 L1181 L1184 | E798-F1076 HydrophobicContact CG-CE1 4.02Å; F1067-F1076 HydrophobicContact CB-CE1 3.89Å; F1067-F1076 HydrophobicContact CB-CE2 4.14Å; F1067-F1076 HydrophobicContact CB-CZ 3.38Å; F1067-F1076 HydrophobicContact CD1-CE1 4.1Å; F1067-F1076 HydrophobicContact CD1-CZ 4.44Å; F1067-F1076 HydrophobicContact CG-CE1 4.21Å; F1067-F1076 HydrophobicContact CG-CZ 4.19Å; G1072-F1076 VanDerWaalsContact O-CG 3.3Å; G1072-F1076 WeakPolarHBondContact O-CG 3.38Å; G1072-F1076 PolarHBondContact O-N 2.84Å; L1073-F1076 HydrophobicContact CD2-CD2 4Å; L1073-F1076 HydrophobicContact CD2-CE2 4.45Å; L1073-F1076 PolarHBondContact O-N 2.87Å; F1076-D1078 VanDerWaalsContact C-N 3.32Å; F1076-D1078 PolarHBondContact O-N 3.36Å; F1076-N1079 CarbonylContact O-C 3.49Å; F1076-N1079 PolarHBondContact O-N 2.83Å; F1076-N1079 VanDerWaalsContact O-N 3.15Å; F1076-I1080 WeakPolarHBondContact O-CG1 3.31Å; F1076-I1080 PolarHBondContact O-N 2.84Å; F1076-M1083 HydrophobicContact CD1-CE 4.2Å; F1076-M1083 HydrophobicContact CD1-CG 4.45Å; F1076-M1083 HydrophobicContact CE1-CE 4.45Å; F1076-W1087 HydrophobicContact CD1-CH2 4.12Å; F1076-W1087 AromaticContact CE1-CH2 3.62Å; F1076-W1087 HydrophobicContact CE1-CH2 3.62Å; F1076-W1087 HydrophobicContact CE1-CZ2 4.46Å; F1076-W1087 HydrophobicContact CE2-CH2 4.22Å; F1076-W1087 AromaticContact CZ-CH2 3.66Å; F1076-W1087 HydrophobicContact CZ-CH2 3.66Å; F1076-W1087 HydrophobicContact CZ-CZ3 4.46Å; F1076-L1181 HydrophobicContact CB-CD1 3.95Å; F1076-L1184 HydrophobicContact CB-CD2 3.93Å |
| 1077 | A | 87.2 | Confident | 85.6 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1073 H1074 F1075 N1079 I1080 V1119 R1123 L1181 | L1073-A1077 VanDerWaalsContact O-CB 3.31Å; L1073-A1077 WeakPolarHBondContact O-CB 3.35Å; L1073-A1077 PolarHBondContact O-N 3.49Å; H1074-A1077 WeakPolarHBondContact O-CB 3.39Å; H1074-A1077 PolarHBondContact O-N 2.84Å; F1075-A1077 VanDerWaalsContact C-N 3.32Å; A1077-N1079 PolarHBondContact O-N 2.82Å; A1077-I1080 WeakPolarHBondContact O-CD1 3.44Å; A1077-I1080 VanDerWaalsContact O-CG1 3.26Å; A1077-I1080 WeakPolarHBondContact O-CG1 3.37Å; A1077-V1119 HydrophobicContact CB-CG1 4.18Å; A1077-R1123 VanDerWaalsContact CB-CD 3.45Å; A1077-R1123 PolarHBondContact O-NE 3.4Å; A1077-R1123 PolarHBondContact O-NH1 3.33Å; A1077-R1123 PolarHBondContact O-NH2 3.42Å; A1077-L1181 HydrophobicContact CB-CD1 4.39Å; A1077-L1181 HydrophobicContact CB-CD2 4.48Å |
| 1078 | D | 84.9 | Confident | 84.9 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.262 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.3 | -32.8 | 175.8 | -73.5 | -17.6 | 0 | 0 | 0 | 113.7 | N739 T741 H1074 F1075 F1076 R1123 | N739-D1078 HydrophobicContact CB-CB 4.45Å; T741-D1078 PolarHBondContact OG1-OD2 2.8Å; H1074-D1078 PolarHBondContact O-N 3.38Å; F1075-D1078 PolarHBondContact O-N 2.98Å; F1076-D1078 VanDerWaalsContact C-N 3.32Å; F1076-D1078 PolarHBondContact O-N 3.36Å; D1078-R1123 VanDerWaalsContact CA-NH1 3.27Å; D1078-R1123 VanDerWaalsContact N-NH1 3.19Å; D1078-R1123 IonicContact OD1-CZ 2.72Å; D1078-R1123 IonicContact OD1-NH1 3.27Å; D1078-R1123 PolarHBondContact OD1-NH1 3.08Å |
| 1079 | N | 88.3 | Confident | 84.1 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.032 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 30.3 | -172.9 | -62.3 | -80.5 | 0 | 0 | 0 | 114.3 | N739 F1075 F1076 A1077 N1081 L1082 M1083 | N739-N1079 PolarHBondContact N-OD1 3.39Å; N739-N1079 PolarHBondContact O-ND2 3.44Å; N739-N1079 PolarHBondContact O-OD1 3.07Å; F1075-N1079 WeakPolarHBondContact CD2-ND2 3.39Å; F1075-N1079 WeakPolarHBondContact CE2-ND2 3.49Å; F1075-N1079 PolarHBondContact O-N 3.14Å; F1075-N1079 VanDerWaalsContact O-N 3.1Å; F1075-N1079 PolarHBondContact O-ND2 3.48Å; F1076-N1079 CarbonylContact O-C 3.49Å; F1076-N1079 PolarHBondContact O-N 2.83Å; F1076-N1079 VanDerWaalsContact O-N 3.15Å; A1077-N1079 PolarHBondContact O-N 2.82Å; N1079-N1081 VanDerWaalsContact C-N 3.31Å; N1079-N1081 PolarHBondContact O-N 3.12Å; N1079-N1081 VanDerWaalsContact O-N 3.16Å; N1079-L1082 HydrophobicContact CB-CB 4.17Å; N1079-L1082 HydrophobicContact CB-CD2 4.25Å; N1079-L1082 WeakPolarHBondContact O-CB 3.5Å; N1079-L1082 PolarHBondContact O-N 3.36Å; N1079-M1083 HydrophobicContact CB-CE 4.32Å; N1079-M1083 HydrophobicContact CB-CG 4.3Å; N1079-M1083 WeakPolarHBondContact O-CG 3.38Å; N1079-M1083 PolarHBondContact O-N 3.31Å |
| 1080 | I | 87.2 | Confident | 83 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -47.7 | -50.5 | -174.3 | -73 | 161.1 | 0 | 0 | 0 | 112.6 | F1076 A1077 L1082 M1083 K1084 | F1076-I1080 WeakPolarHBondContact O-CG1 3.31Å; F1076-I1080 PolarHBondContact O-N 2.84Å; A1077-I1080 WeakPolarHBondContact O-CD1 3.44Å; A1077-I1080 VanDerWaalsContact O-CG1 3.26Å; A1077-I1080 WeakPolarHBondContact O-CG1 3.37Å; I1080-L1082 PolarHBondContact O-N 3.16Å; I1080-M1083 PolarHBondContact O-N 2.75Å; I1080-K1084 HydrophobicContact CG2-CD 3.96Å; I1080-K1084 HydrophobicContact CG2-CG 4.35Å; I1080-K1084 WeakPolarHBondContact O-CG 3.15Å; I1080-K1084 PolarHBondContact O-N 3.1Å |
| 1081 | N | 86.7 | Confident | 81.9 | Confident | 104 Ų | 104 | 41.5 Ų | 41.5 | 56% | 0.556 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -65.5 | -38.4 | -177.2 | -64.6 | -23.2 | 0 | 0 | 0 | 112.6 | L736 N1079 I1085 | L736-N1081 HydrophobicContact CD1-CB 3.74Å; N1079-N1081 VanDerWaalsContact C-N 3.31Å; N1079-N1081 PolarHBondContact O-N 3.12Å; N1079-N1081 VanDerWaalsContact O-N 3.16Å; N1081-I1085 WeakPolarHBondContact O-CG1 3.28Å; N1081-I1085 PolarHBondContact O-N 2.98Å |
| 1082 | L | 87.5 | Confident | 80.6 | Confident | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 176.9 | 176.7 | 64.5 | 0 | 0 | 0 | 110.9 | L735 L736 L738 A799 Y800 N1079 I1080 I1085 R1086 | L735-L1082 HydrophobicContact CB-CD1 3.96Å; L735-L1082 HydrophobicContact CD2-CD1 4.27Å; L736-L1082 HydrophobicContact CB-CD1 4.25Å; L736-L1082 WeakPolarHBondContact O-CD1 3.23Å; L738-L1082 HydrophobicContact CD1-CD2 4.48Å; A799-L1082 HydrophobicContact CB-CD2 3.88Å; Y800-L1082 HydrophobicContact CD1-CD1 4.49Å; Y800-L1082 HydrophobicContact CE1-CD1 3.85Å; Y800-L1082 HydrophobicContact CE1-CD2 4.15Å; N1079-L1082 HydrophobicContact CB-CB 4.17Å; N1079-L1082 HydrophobicContact CB-CD2 4.25Å; N1079-L1082 WeakPolarHBondContact O-CB 3.5Å; N1079-L1082 PolarHBondContact O-N 3.36Å; I1080-L1082 PolarHBondContact O-N 3.16Å; L1082-I1085 PolarHBondContact O-N 3.46Å; L1082-R1086 PolarHBondContact O-N 2.85Å; L1082-R1086 VanDerWaalsContact O-N 3.09Å |
| 1083 | M | 87.7 | Confident | 79 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73 | -34.2 | -178.4 | -61.4 | -58.6 | 178.3 | 0 | 0 | 112.6 | A799 F1075 F1076 N1079 I1080 I1085 R1086 W1087 L1184 | A799-M1083 HydrophobicContact CB-CE 4.2Å; F1075-M1083 HydrophobicContact CD1-CE 4Å; F1075-M1083 HydrophobicContact CE1-CE 3.23Å; F1075-M1083 HydrophobicContact CZ-CE 3.8Å; F1076-M1083 HydrophobicContact CD1-CE 4.2Å; F1076-M1083 HydrophobicContact CD1-CG 4.45Å; F1076-M1083 HydrophobicContact CE1-CE 4.45Å; N1079-M1083 HydrophobicContact CB-CE 4.32Å; N1079-M1083 HydrophobicContact CB-CG 4.3Å; N1079-M1083 WeakPolarHBondContact O-CG 3.38Å; N1079-M1083 PolarHBondContact O-N 3.31Å; I1080-M1083 PolarHBondContact O-N 2.75Å; M1083-I1085 VanDerWaalsContact C-N 3.31Å; M1083-I1085 PolarHBondContact O-N 2.84Å; M1083-R1086 PolarHBondContact O-N 3.25Å; M1083-W1087 HydrophobicContact CB-CE3 4.19Å; M1083-W1087 HydrophobicContact CB-CH2 4.46Å; M1083-W1087 HydrophobicContact CB-CZ3 4.02Å; M1083-W1087 HydrophobicContact CG-CH2 4.4Å; M1083-W1087 HydrophobicContact CG-CZ3 4.4Å; M1083-W1087 PolarHBondContact O-N 3.39Å; M1083-W1087 HydrophobicContact SD-CH2 4.01Å; M1083-W1087 HydrophobicContact SD-CZ2 4.12Å; M1083-W1087 HydrophobicContact SD-CZ3 4.49Å; M1083-L1184 HydrophobicContact CB-CD1 3.68Å; M1083-L1184 HydrophobicContact CB-CD2 3.83Å; M1083-L1184 HydrophobicContact CB-CG 4.27Å; M1083-L1184 HydrophobicContact CG-CD2 4.4Å |
| 1084 | K | 84.6 | Confident | 77.4 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 172.3 | -78.5 | 177.4 | 175.2 | -179.7 | 0 | 111.9 | I1080 H1088 S1089 E1180 L1184 | I1080-K1084 HydrophobicContact CG2-CD 3.96Å; I1080-K1084 HydrophobicContact CG2-CG 4.35Å; I1080-K1084 WeakPolarHBondContact O-CG 3.15Å; I1080-K1084 PolarHBondContact O-N 3.1Å; K1084-H1088 CarbonylContact O-C 3.58Å; K1084-H1088 WeakPolarHBondContact O-CA 3.15Å; K1084-H1088 PolarHBondContact O-N 3.47Å; K1084-H1088 VanDerWaalsContact O-N 3.12Å; K1084-S1089 PolarHBondContact O-N 3.47Å; K1084-E1180 IonicContact NZ-OE1 2.83Å; K1084-E1180 PolarHBondContact NZ-OE1 3.06Å; K1084-L1184 HydrophobicContact CG-CD1 4.4Å |
| 1085 | I | 84.5 | Confident | 76 | Confident | 69 Ų | 69 | 54.7 Ų | 54.7 | 35% | 0.354 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 175.8 | -63.6 | 166.2 | 0 | 0 | 0 | 110.3 | L735 N1081 L1082 M1083 H1088 | L735-I1085 HydrophobicContact CD2-CB 4.4Å; L735-I1085 HydrophobicContact CD2-CG2 3.66Å; N1081-I1085 WeakPolarHBondContact O-CG1 3.28Å; N1081-I1085 PolarHBondContact O-N 2.98Å; L1082-I1085 PolarHBondContact O-N 3.46Å; M1083-I1085 VanDerWaalsContact C-N 3.31Å; M1083-I1085 PolarHBondContact O-N 2.84Å; I1085-H1088 PolarHBondContact O-N 3.32Å; I1085-H1088 PolarHBondContact O-ND1 3.32Å |
| 1086 | R | 83.4 | Confident | 74.8 | Confident | 68 Ų | 68 | 58.6 Ų | 58.6 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | -178.1 | -176.3 | -174.1 | 175.3 | 97.2 | -13.9 | 113.1 | Y797 E798 A799 Y800 L1082 M1083 | Y797-R1086 PolarHBondContact O-NH2 3.22Å; E798-R1086 VanDerWaalsContact O-CD 3.23Å; E798-R1086 WeakPolarHBondContact O-CD 3.35Å; E798-R1086 PolarHBondContact O-NE 3Å; E798-R1086 PolarHBondContact O-NH1 3.49Å; E798-R1086 PolarHBondContact O-NH2 3.33Å; E798-R1086 VanDerWaalsContact O-NH2 3.14Å; A799-R1086 WeakPolarHBondContact O-CD 3.32Å; A799-R1086 PolarHBondContact O-NH1 3.05Å; Y800-R1086 VanDerWaalsContact CA-NH1 3.34Å; Y800-R1086 VanDerWaalsContact N-NH1 3.11Å; L1082-R1086 PolarHBondContact O-N 2.85Å; L1082-R1086 VanDerWaalsContact O-N 3.09Å; M1083-R1086 PolarHBondContact O-N 3.25Å |
| 1087 | W | 83.1 | Confident | 73.8 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 5% | 0.049 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 15.3 | -177.4 | -62.2 | -34 | 0 | 0 | 0 | 113.8 | E798 F1076 M1083 S1089 Y1099 L1184 A1187 K1188 | E798-W1087 WeakPolarHBondContact OE1-CZ2 3.12Å; F1076-W1087 HydrophobicContact CD1-CH2 4.12Å; F1076-W1087 AromaticContact CE1-CH2 3.62Å; F1076-W1087 HydrophobicContact CE1-CH2 3.62Å; F1076-W1087 HydrophobicContact CE1-CZ2 4.46Å; F1076-W1087 HydrophobicContact CE2-CH2 4.22Å; F1076-W1087 AromaticContact CZ-CH2 3.66Å; F1076-W1087 HydrophobicContact CZ-CH2 3.66Å; F1076-W1087 HydrophobicContact CZ-CZ3 4.46Å; M1083-W1087 HydrophobicContact CB-CE3 4.19Å; M1083-W1087 HydrophobicContact CB-CH2 4.46Å; M1083-W1087 HydrophobicContact CB-CZ3 4.02Å; M1083-W1087 HydrophobicContact CG-CH2 4.4Å; M1083-W1087 HydrophobicContact CG-CZ3 4.4Å; M1083-W1087 PolarHBondContact O-N 3.39Å; M1083-W1087 HydrophobicContact SD-CH2 4.01Å; M1083-W1087 HydrophobicContact SD-CZ2 4.12Å; M1083-W1087 HydrophobicContact SD-CZ3 4.49Å; W1087-S1089 PolarHBondContact O-N 2.97Å; W1087-Y1099 PolarHBondContact O-OH 2.99Å; W1087-L1184 HydrophobicContact CE3-CD1 3.63Å; W1087-L1184 HydrophobicContact CE3-CG 4.02Å; W1087-L1184 HydrophobicContact CZ3-CD1 3.88Å; W1087-L1184 HydrophobicContact CZ3-CD2 4.3Å; W1087-L1184 HydrophobicContact CZ3-CG 3.79Å; W1087-A1187 HydrophobicContact CB-CB 4.33Å; W1087-K1188 HydrophobicContact CE3-CB 4.02Å; W1087-K1188 HydrophobicContact CH2-CB 3.96Å; W1087-K1188 HydrophobicContact CH2-CD 3.72Å; W1087-K1188 HydrophobicContact CH2-CG 4.11Å; W1087-K1188 HydrophobicContact CZ2-CB 4.43Å; W1087-K1188 HydrophobicContact CZ2-CD 3.5Å; W1087-K1188 HydrophobicContact CZ2-CG 4.37Å; W1087-K1188 HydrophobicContact CZ3-CB 3.71Å; W1087-K1188 HydrophobicContact CZ3-CD 4.34Å; W1087-K1188 HydrophobicContact CZ3-CG 4.38Å |
| 1088 | H | 74 | Confident | 72.7 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 31.6 | 177.7 | -57.5 | -44.3 | 0 | 0 | 0 | 114.5 | K1084 I1085 D1090 K1091 | K1084-H1088 CarbonylContact O-C 3.58Å; K1084-H1088 WeakPolarHBondContact O-CA 3.15Å; K1084-H1088 PolarHBondContact O-N 3.47Å; K1084-H1088 VanDerWaalsContact O-N 3.12Å; I1085-H1088 PolarHBondContact O-N 3.32Å; I1085-H1088 PolarHBondContact O-ND1 3.32Å; H1088-D1090 PolarHBondContact O-N 3.37Å; H1088-K1091 PolarHBondContact O-N 2.85Å |
| 1089 | S | 66.6 | Low | 71.8 | Confident | 11 Ų | 11 | 66.2 Ų | 66.2 | 8% | 0.077 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -65 | -26.9 | -179.7 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | K1084 W1087 K1091 I1092 | K1084-S1089 PolarHBondContact O-N 3.47Å; W1087-S1089 PolarHBondContact O-N 2.97Å; S1089-K1091 PolarHBondContact O-N 2.85Å; S1089-I1092 VanDerWaalsContact O-CB 3.31Å; S1089-I1092 WeakPolarHBondContact O-CB 3.1Å; S1089-I1092 WeakPolarHBondContact O-CD1 3.37Å; S1089-I1092 WeakPolarHBondContact O-CG1 3.21Å; S1089-I1092 PolarHBondContact O-N 3.3Å; S1089-I1092 VanDerWaalsContact OG-CD1 3.28Å; S1089-I1092 WeakPolarHBondContact OG-CD1 3.29Å |
| 1090 | D | 60.2 | Low | 70.7 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -71.7 | -19.2 | 179 | -69.5 | -26.4 | 0 | 0 | 0 | 112.8 | H1088 I1092 | H1088-D1090 PolarHBondContact O-N 3.37Å; D1090-I1092 VanDerWaalsContact C-N 3.29Å; D1090-I1092 PolarHBondContact O-N 2.99Å |
| 1091 | K | 56.7 | Low | 69.9 | Low | 121 Ų | 121 | 71 Ų | 71 | 53% | 0.526 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -83.5 | -0.9 | 177.1 | -65.2 | -173.4 | 178.7 | -179.2 | 0 | 113.8 | H1088 S1089 N1093 T1094 | H1088-K1091 PolarHBondContact O-N 2.85Å; S1089-K1091 PolarHBondContact O-N 2.85Å; K1091-N1093 PolarHBondContact O-N 3.34Å; K1091-T1094 PolarHBondContact O-N 3.29Å |
| 1092 | I | 53.1 | Low | 69.2 | Low | 43 Ų | 43 | 69.1 Ų | 69.1 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -53.8 | -29.1 | -179.9 | -71.6 | 169.7 | 0 | 0 | 0 | 111.7 | S1089 D1090 Y1099 F1103 | S1089-I1092 VanDerWaalsContact O-CB 3.31Å; S1089-I1092 WeakPolarHBondContact O-CB 3.1Å; S1089-I1092 WeakPolarHBondContact O-CD1 3.37Å; S1089-I1092 WeakPolarHBondContact O-CG1 3.21Å; S1089-I1092 PolarHBondContact O-N 3.3Å; S1089-I1092 VanDerWaalsContact OG-CD1 3.28Å; S1089-I1092 WeakPolarHBondContact OG-CD1 3.29Å; D1090-I1092 VanDerWaalsContact C-N 3.29Å; D1090-I1092 PolarHBondContact O-N 2.99Å; I1092-Y1099 HydrophobicContact CG1-CD1 4.29Å; I1092-Y1099 HydrophobicContact CG1-CE1 4.21Å; I1092-F1103 HydrophobicContact CD1-CD1 4.2Å; I1092-F1103 HydrophobicContact CD1-CE1 3.58Å; I1092-F1103 HydrophobicContact CD1-CE2 4.24Å; I1092-F1103 HydrophobicContact CD1-CZ 3.6Å; I1092-F1103 HydrophobicContact CG1-CE1 4.44Å; I1092-F1103 HydrophobicContact CG1-CE2 4.32Å; I1092-F1103 HydrophobicContact CG1-CZ 4.17Å |
| 1093 | N | 51 | Low | 68.3 | Low | 148 Ų | 148 | 70.4 Ų | 70.4 | 79% | 0.791 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -99.9 | -3.2 | -170.3 | -82.2 | -19 | 0 | 0 | 0 | 117.1 | K1091 | K1091-N1093 PolarHBondContact O-N 3.34Š|
| 1094 | T | 53 | Low | 67.4 | Low | 114 Ų | 114 | 78.1 Ų | 78.1 | 70% | 0.699 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.5 | -31.7 | -167.6 | 28.7 | 0 | 0 | 0 | 0 | 119.8 | K1091 | K1091-T1094 PolarHBondContact O-N 3.29Š|
| 1095 | D | 58 | Low | 66.7 | Low | 129 Ų | 129 | 83.5 Ų | 83.5 | 69% | 0.69 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.9 | -17.3 | -163.2 | -68.8 | -23.7 | 0 | 0 | 0 | 118 | ||
| 1096 | N | 63.2 | Low | 65.9 | Low | 94 Ų | 94 | 81.9 Ų | 81.9 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -133.1 | 102 | -176.1 | -167.8 | -8.3 | 0 | 0 | 0 | 113.3 | A1098 Y1099 A1100 | N1096-A1098 PolarHBondContact O-N 3.44Å; N1096-A1098 WeakPolarHBondContact OD1-CB 3.45Å; N1096-A1098 PolarHBondContact OD1-N 3.41Å; N1096-A1098 VanDerWaalsContact OD1-N 3.16Å; N1096-Y1099 PolarHBondContact O-N 3.17Å; N1096-Y1099 VanDerWaalsContact O-N 3.11Å; N1096-A1100 PolarHBondContact O-N 2.86Å | ||
| 1097 | P | 68 | Low | 65.4 | Low | 111 Ų | 111 | 84.5 Ų | 84.5 | 72% | 0.721 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.9 | -26.5 | -178.5 | 25.2 | -33.9 | 0 | 0 | 0 | 113.1 | Y1099 H1101 | P1097-Y1099 VanDerWaalsContact C-N 3.34Å; P1097-Y1099 PolarHBondContact O-N 3.26Å; P1097-H1101 WeakPolarHBondContact O-CB 3.48Å; P1097-H1101 PolarHBondContact O-N 3.24Å |
| 1098 | A | 64.7 | Low | 65 | Low | 59 Ų | 59 | 84.9 Ų | 84.9 | 49% | 0.488 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.5 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1096 L1102 | N1096-A1098 PolarHBondContact O-N 3.44Å; N1096-A1098 WeakPolarHBondContact OD1-CB 3.45Å; N1096-A1098 PolarHBondContact OD1-N 3.41Å; N1096-A1098 VanDerWaalsContact OD1-N 3.16Å; A1098-L1102 WeakPolarHBondContact O-CG 3.45Å; A1098-L1102 PolarHBondContact O-N 3.24Å |
| 1099 | Y | 66.3 | Low | 65.1 | Low | 40 Ų | 40 | 82.5 Ų | 82.5 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -76.7 | -40 | -178.3 | -154.4 | -107.2 | 0 | 0 | 0 | 111.5 | W1087 I1092 N1096 P1097 H1101 L1102 F1103 I1190 N1191 | W1087-Y1099 PolarHBondContact O-OH 2.99Å; I1092-Y1099 HydrophobicContact CG1-CD1 4.29Å; I1092-Y1099 HydrophobicContact CG1-CE1 4.21Å; N1096-Y1099 PolarHBondContact O-N 3.17Å; N1096-Y1099 VanDerWaalsContact O-N 3.11Å; P1097-Y1099 VanDerWaalsContact C-N 3.34Å; P1097-Y1099 PolarHBondContact O-N 3.26Å; Y1099-H1101 VanDerWaalsContact C-N 3.33Å; Y1099-H1101 PolarHBondContact O-N 3.24Å; Y1099-L1102 HydrophobicContact CD2-CD1 4.49Å; Y1099-L1102 WeakPolarHBondContact O-CB 3.49Å; Y1099-L1102 PolarHBondContact O-N 3.44Å; Y1099-L1102 VanDerWaalsContact O-N 3.14Å; Y1099-F1103 HydrophobicContact CD1-CD2 4.06Å; Y1099-F1103 AromaticContact CD1-CE2 3.69Å; Y1099-F1103 HydrophobicContact CD1-CE2 3.69Å; Y1099-F1103 HydrophobicContact CE1-CD2 4.08Å; Y1099-F1103 AromaticContact CE1-CE2 3.25Å; Y1099-F1103 HydrophobicContact CE1-CE2 3.25Å; Y1099-F1103 AromaticContact CE1-CZ 3.99Å; Y1099-F1103 HydrophobicContact CE1-CZ 3.99Å; Y1099-F1103 AromaticContact CZ-CE2 3.75Å; Y1099-F1103 WeakPolarHBondContact O-CD2 3.39Å; Y1099-F1103 PolarHBondContact O-N 2.71Å; Y1099-I1190 HydrophobicContact CE2-CG2 4.24Å; Y1099-N1191 PolarHBondContact OH-ND2 3.3Å |
| 1100 | A | 65.6 | Low | 65.4 | Low | 32 Ų | 32 | 88 Ų | 88 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1096 L1102 F1103 E1104 | N1096-A1100 PolarHBondContact O-N 2.86Å; A1100-L1102 VanDerWaalsContact C-N 3.27Å; A1100-L1102 PolarHBondContact O-N 3.42Å; A1100-F1103 PolarHBondContact O-N 3.33Å; A1100-F1103 VanDerWaalsContact O-N 3.12Å; A1100-E1104 PolarHBondContact O-N 3.45Å; A1100-E1104 VanDerWaalsContact O-N 3.08Å |
| 1101 | H | 70.8 | Confident | 66.2 | Low | 87 Ų | 87 | 87.1 Ų | 87.1 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.2 | -31.1 | 176.3 | 172.2 | -81.3 | 0 | 0 | 0 | 113.2 | P1097 Y1099 K1105 | P1097-H1101 WeakPolarHBondContact O-CB 3.48Å; P1097-H1101 PolarHBondContact O-N 3.24Å; Y1099-H1101 VanDerWaalsContact C-N 3.33Å; Y1099-H1101 PolarHBondContact O-N 3.24Å; H1101-K1105 WeakPolarHBondContact CE1-CD 3.47Å; H1101-K1105 WeakPolarHBondContact CE1-CE 3.39Å; H1101-K1105 PolarHBondContact CE1-NZ 3.21Å; H1101-K1105 WeakPolarHBondContact NE2-CE 3.26Å; H1101-K1105 PolarHBondContact NE2-NZ 3.47Å; H1101-K1105 PolarHBondContact O-N 3.18Å |
| 1102 | L | 70.5 | Confident | 67.3 | Low | 66 Ų | 66 | 82.9 Ų | 82.9 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 174.3 | -72.4 | 169.2 | 0 | 0 | 0 | 112.6 | A1098 Y1099 A1100 N1106 I1190 | A1098-L1102 WeakPolarHBondContact O-CG 3.45Å; A1098-L1102 PolarHBondContact O-N 3.24Å; Y1099-L1102 HydrophobicContact CD2-CD1 4.49Å; Y1099-L1102 WeakPolarHBondContact O-CB 3.49Å; Y1099-L1102 PolarHBondContact O-N 3.44Å; Y1099-L1102 VanDerWaalsContact O-N 3.14Å; A1100-L1102 VanDerWaalsContact C-N 3.27Å; A1100-L1102 PolarHBondContact O-N 3.42Å; L1102-N1106 WeakPolarHBondContact O-CB 3.32Å; L1102-N1106 PolarHBondContact O-N 2.69Å; L1102-N1106 PolarHBondContact O-ND2 3.45Å; L1102-I1190 HydrophobicContact CB-CD1 4.36Å; L1102-I1190 HydrophobicContact CD1-CG2 4.41Å |
| 1103 | F | 70.1 | Confident | 68.6 | Low | 30 Ų | 30 | 81.7 Ų | 81.7 | 13% | 0.132 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 175.9 | -87.8 | -107.5 | 0 | 0 | 0 | 111.7 | I1092 Y1099 A1100 K1105 L1186 A1187 I1190 | I1092-F1103 HydrophobicContact CD1-CD1 4.2Å; I1092-F1103 HydrophobicContact CD1-CE1 3.58Å; I1092-F1103 HydrophobicContact CD1-CE2 4.24Å; I1092-F1103 HydrophobicContact CD1-CZ 3.6Å; I1092-F1103 HydrophobicContact CG1-CE1 4.44Å; I1092-F1103 HydrophobicContact CG1-CE2 4.32Å; I1092-F1103 HydrophobicContact CG1-CZ 4.17Å; Y1099-F1103 HydrophobicContact CD1-CD2 4.06Å; Y1099-F1103 AromaticContact CD1-CE2 3.69Å; Y1099-F1103 HydrophobicContact CD1-CE2 3.69Å; Y1099-F1103 HydrophobicContact CE1-CD2 4.08Å; Y1099-F1103 AromaticContact CE1-CE2 3.25Å; Y1099-F1103 HydrophobicContact CE1-CE2 3.25Å; Y1099-F1103 AromaticContact CE1-CZ 3.99Å; Y1099-F1103 HydrophobicContact CE1-CZ 3.99Å; Y1099-F1103 AromaticContact CZ-CE2 3.75Å; Y1099-F1103 WeakPolarHBondContact O-CD2 3.39Å; Y1099-F1103 PolarHBondContact O-N 2.71Å; A1100-F1103 PolarHBondContact O-N 3.33Å; A1100-F1103 VanDerWaalsContact O-N 3.12Å; F1103-K1105 VanDerWaalsContact C-N 3.33Å; F1103-K1105 PolarHBondContact O-N 2.83Å; F1103-L1186 HydrophobicContact CB-CD2 4.45Å; F1103-L1186 HydrophobicContact CD1-CD2 3.44Å; F1103-L1186 VanDerWaalsContact CD1-CD2 3.44Å; F1103-L1186 HydrophobicContact CD1-CG 3.93Å; F1103-L1186 HydrophobicContact CE1-CB 4.19Å; F1103-L1186 HydrophobicContact CE1-CD2 3.89Å; F1103-L1186 HydrophobicContact CE1-CG 3.92Å; F1103-L1186 HydrophobicContact CG-CD2 4.15Å; F1103-A1187 HydrophobicContact CE1-CB 4.46Å; F1103-A1187 HydrophobicContact CZ-CB 3.8Å; F1103-I1190 HydrophobicContact CD2-CD1 3.54Å; F1103-I1190 HydrophobicContact CE2-CD1 3.39Å; F1103-I1190 HydrophobicContact CG-CD1 4.19Å; F1103-I1190 HydrophobicContact CZ-CD1 3.96Å |
| 1104 | E | 67.2 | Low | 70 | Confident | 162 Ų | 162 | 77.1 Ų | 77.1 | 76% | 0.757 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.4 | -36.3 | 178.2 | -71.9 | 177.6 | 178.8 | 0 | 0 | 112.7 | A1100 | A1100-E1104 PolarHBondContact O-N 3.45Å; A1100-E1104 VanDerWaalsContact O-N 3.08Å |
| 1105 | K | 70.1 | Confident | 71.4 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -80.7 | -26.4 | -178.6 | -78.8 | -169.6 | 170.9 | 172.4 | 0 | 114.8 | H1101 F1103 | H1101-K1105 WeakPolarHBondContact CE1-CD 3.47Å; H1101-K1105 WeakPolarHBondContact CE1-CE 3.39Å; H1101-K1105 PolarHBondContact CE1-NZ 3.21Å; H1101-K1105 WeakPolarHBondContact NE2-CE 3.26Å; H1101-K1105 PolarHBondContact NE2-NZ 3.47Å; H1101-K1105 PolarHBondContact O-N 3.18Å; F1103-K1105 VanDerWaalsContact C-N 3.33Å; F1103-K1105 PolarHBondContact O-N 2.83Å |
| 1106 | N | 69.1 | Low | 72.7 | Confident | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.182 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 122.3 | -173.9 | -70.4 | -52.1 | 0 | 0 | 0 | 110.9 | L1102 L1186 | L1102-N1106 WeakPolarHBondContact O-CB 3.32Å; L1102-N1106 PolarHBondContact O-N 2.69Å; L1102-N1106 PolarHBondContact O-ND2 3.45Å; N1106-L1186 HydrophobicContact CB-CD1 3.89Å |
| 1107 | I | 71.1 | Confident | 73.7 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -98.5 | 135.3 | 176.7 | -56.7 | 170.8 | 0 | 0 | 0 | 108.9 | I1170 | I1107-I1170 HydrophobicContact CG2-CD1 4.17Å; I1107-I1170 HydrophobicContact CG2-CG1 4.43Å |
| 1108 | L | 75.1 | Confident | 74.4 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 127.9 | 175.8 | -170.4 | 68.4 | 0 | 0 | 0 | 110.1 | K1110 I1112 Q1113 R1182 C1185 I1189 | L1108-K1110 PolarHBondContact O-N 3.34Å; L1108-I1112 HydrophobicContact CD1-CB 4.33Å; L1108-I1112 HydrophobicContact CD1-CG2 3.89Å; L1108-I1112 HydrophobicContact CD2-CG2 4.39Å; L1108-I1112 HydrophobicContact CG-CB 4.4Å; L1108-I1112 HydrophobicContact CG-CG2 4.29Å; L1108-Q1113 HydrophobicContact CD2-CB 3.93Å; L1108-Q1113 HydrophobicContact CD2-CG 4.42Å; L1108-Q1113 HydrophobicContact CG-CB 4.32Å; L1108-R1182 HydrophobicContact CD2-CB 4.22Å; L1108-R1182 HydrophobicContact CD2-CG 4.1Å; L1108-C1185 HydrophobicContact CD1-CB 3.92Å; L1108-C1185 HydrophobicContact CD2-CB 4.38Å; L1108-I1189 HydrophobicContact CD1-CD1 3.53Å |
| 1109 | P | 75.7 | Confident | 75.4 | Confident | 60 Ų | 60 | 59.7 Ų | 59.7 | 39% | 0.39 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 135.1 | 177.7 | -26.4 | 35 | 0 | 0 | 0 | 111.9 | P1111 I1112 Q1113 | P1109-P1111 VanDerWaalsContact C-N 3.31Å; P1109-P1111 VanDerWaalsContact O-N 3.15Å; P1109-I1112 HydrophobicContact CB-CD1 4.42Å; P1109-I1112 HydrophobicContact CG-CD1 4.23Å; P1109-I1112 PolarHBondContact O-N 3.2Å; P1109-Q1113 PolarHBondContact O-N 3.14Å |
| 1110 | K | 72.9 | Confident | 76.2 | Confident | 128 Ų | 128 | 57.8 Ų | 57.8 | 56% | 0.557 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -48.9 | -41.2 | -177.8 | -170.5 | 178.7 | -178.7 | -179.3 | 0 | 114.2 | L1108 Q1113 M1114 Q1157 | L1108-K1110 PolarHBondContact O-N 3.34Å; K1110-Q1113 WeakPolarHBondContact O-CB 3.34Å; K1110-Q1113 PolarHBondContact O-N 3.49Å; K1110-M1114 HydrophobicContact CG-SD 4.35Å; K1110-M1114 WeakPolarHBondContact O-CG 3.4Å; K1110-M1114 PolarHBondContact O-N 3.16Å; K1110-Q1157 VanDerWaalsContact CE-NE2 3.34Å |
| 1111 | P | 77.1 | Confident | 76.9 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 54% | 0.539 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.1 | -23 | 34.6 | 0 | 0 | 0 | 113.1 | P1109 M1114 M1115 | P1109-P1111 VanDerWaalsContact C-N 3.31Å; P1109-P1111 VanDerWaalsContact O-N 3.15Å; P1111-M1114 PolarHBondContact O-N 3.46Å; P1111-M1115 VanDerWaalsContact O-CG 3.3Å; P1111-M1115 WeakPolarHBondContact O-CG 3.45Å; P1111-M1115 PolarHBondContact O-N 2.89Å |
| 1112 | I | 80.4 | Confident | 77.4 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 16% | 0.159 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 179.4 | -59.9 | 176.8 | 0 | 0 | 0 | 109.8 | L1108 P1109 M1114 M1115 A1116 C1185 I1189 | L1108-I1112 HydrophobicContact CD1-CB 4.33Å; L1108-I1112 HydrophobicContact CD1-CG2 3.89Å; L1108-I1112 HydrophobicContact CD2-CG2 4.39Å; L1108-I1112 HydrophobicContact CG-CB 4.4Å; L1108-I1112 HydrophobicContact CG-CG2 4.29Å; P1109-I1112 HydrophobicContact CB-CD1 4.42Å; P1109-I1112 HydrophobicContact CG-CD1 4.23Å; P1109-I1112 PolarHBondContact O-N 3.2Å; I1112-M1114 PolarHBondContact O-N 2.82Å; I1112-M1115 PolarHBondContact O-N 2.78Å; I1112-A1116 WeakPolarHBondContact O-CB 3.27Å; I1112-A1116 PolarHBondContact O-N 3.07Å; I1112-C1185 HydrophobicContact CG2-CB 4.38Å; I1112-I1189 HydrophobicContact CD1-CD1 4.18Å |
| 1113 | Q | 80.1 | Confident | 77.8 | Confident | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.3 | -49.6 | 174.4 | -174.4 | -174.1 | 4.4 | 0 | 0 | 111.5 | L1108 P1109 K1110 M1115 A1116 D1117 R1182 | L1108-Q1113 HydrophobicContact CD2-CB 3.93Å; L1108-Q1113 HydrophobicContact CD2-CG 4.42Å; L1108-Q1113 HydrophobicContact CG-CB 4.32Å; P1109-Q1113 PolarHBondContact O-N 3.14Å; K1110-Q1113 WeakPolarHBondContact O-CB 3.34Å; K1110-Q1113 PolarHBondContact O-N 3.49Å; Q1113-M1115 PolarHBondContact O-N 3.07Å; Q1113-A1116 PolarHBondContact O-N 2.69Å; Q1113-D1117 PolarHBondContact O-N 2.87Å; Q1113-R1182 VanDerWaalsContact NE2-CZ 3.28Å; Q1113-R1182 VanDerWaalsContact NE2-NH1 3.17Å |
| 1114 | M | 80.1 | Confident | 77.9 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 177.9 | -72.4 | 179.7 | 66.8 | 0 | 0 | 112.1 | K1110 P1111 I1112 D1117 Q1118 Q1157 | K1110-M1114 HydrophobicContact CG-SD 4.35Å; K1110-M1114 WeakPolarHBondContact O-CG 3.4Å; K1110-M1114 PolarHBondContact O-N 3.16Å; P1111-M1114 PolarHBondContact O-N 3.46Å; I1112-M1114 PolarHBondContact O-N 2.82Å; M1114-D1117 PolarHBondContact O-N 3.02Å; M1114-Q1118 WeakPolarHBondContact O-CB 3.37Å; M1114-Q1118 VanDerWaalsContact O-CG 3.27Å; M1114-Q1118 WeakPolarHBondContact O-CG 3.19Å; M1114-Q1118 PolarHBondContact O-N 3.28Å; M1114-Q1157 PolarHBondContact SD-NE2 3.37Å |
| 1115 | M | 83 | Confident | 78 | Confident | 67 Ų | 67 | 51 Ų | 51 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.3 | -68.9 | -179.5 | -161.4 | 0 | 0 | 111.8 | P1070 L1073 P1111 I1112 Q1113 D1117 Q1118 V1119 | P1070-M1115 HydrophobicContact CG-SD 4.11Å; L1073-M1115 HydrophobicContact CD1-CB 3.65Å; P1111-M1115 VanDerWaalsContact O-CG 3.3Å; P1111-M1115 WeakPolarHBondContact O-CG 3.45Å; P1111-M1115 PolarHBondContact O-N 2.89Å; I1112-M1115 PolarHBondContact O-N 2.78Å; Q1113-M1115 PolarHBondContact O-N 3.07Å; M1115-D1117 VanDerWaalsContact C-N 3.32Å; M1115-D1117 PolarHBondContact O-N 3.46Å; M1115-Q1118 PolarHBondContact O-N 2.84Å; M1115-V1119 WeakPolarHBondContact O-CB 3.25Å; M1115-V1119 VanDerWaalsContact O-CG2 3.29Å; M1115-V1119 WeakPolarHBondContact O-CG2 3.41Å; M1115-V1119 PolarHBondContact O-N 2.94Å |
| 1116 | A | 85 | Confident | 78 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1112 Q1113 V1119 G1120 L1181 R1182 | I1112-A1116 WeakPolarHBondContact O-CB 3.27Å; I1112-A1116 PolarHBondContact O-N 3.07Å; Q1113-A1116 PolarHBondContact O-N 2.69Å; A1116-V1119 PolarHBondContact O-N 3.41Å; A1116-G1120 WeakPolarHBondContact O-CA 3.45Å; A1116-G1120 PolarHBondContact O-N 2.69Å; A1116-L1181 HydrophobicContact CB-CD2 4.2Å; A1116-L1181 HydrophobicContact CB-CG 4.22Å; A1116-L1181 WeakPolarHBondContact O-CD2 3.22Å; A1116-R1182 HydrophobicContact CB-CG 4.31Å |
| 1117 | D | 84.7 | Confident | 77.9 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 175.4 | -69.4 | -25 | 0 | 0 | 0 | 112.2 | Q1113 M1114 M1115 V1119 G1120 V1121 L1150 P1174 R1182 | Q1113-D1117 PolarHBondContact O-N 2.87Å; M1114-D1117 PolarHBondContact O-N 3.02Å; M1115-D1117 VanDerWaalsContact C-N 3.32Å; M1115-D1117 PolarHBondContact O-N 3.46Å; D1117-V1119 VanDerWaalsContact C-N 3.33Å; D1117-V1119 PolarHBondContact O-N 3.27Å; D1117-G1120 PolarHBondContact O-N 3.1Å; D1117-V1121 WeakPolarHBondContact O-CB 3.24Å; D1117-V1121 VanDerWaalsContact O-CG2 3.25Å; D1117-V1121 WeakPolarHBondContact O-CG2 3.43Å; D1117-V1121 PolarHBondContact O-N 3.15Å; D1117-L1150 HydrophobicContact CB-CD1 4.43Å; D1117-P1174 HydrophobicContact CB-CG 4.04Å; D1117-P1174 WeakPolarHBondContact OD1-CD 3.34Å; D1117-R1182 IonicContact OD1-CZ 3.41Å; D1117-R1182 IonicContact OD1-NE 2.73Å; D1117-R1182 PolarHBondContact OD1-NE 2.85Å; D1117-R1182 IonicContact OD1-NH2 2.92Å; D1117-R1182 PolarHBondContact OD1-NH2 3.47Å; D1117-R1182 IonicContact OD2-CZ 3.91Å; D1117-R1182 IonicContact OD2-NE 2.72Å; D1117-R1182 IonicContact OD2-NH2 3.88Å; D1117-R1182 PolarHBondContact OD2-NH2 3.32Å |
| 1118 | Q | 83.2 | Confident | 77.4 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.8 | -75 | 176.3 | -2.6 | 0 | 0 | 111.6 | M1114 M1115 K1122 L1150 | M1114-Q1118 WeakPolarHBondContact O-CB 3.37Å; M1114-Q1118 VanDerWaalsContact O-CG 3.27Å; M1114-Q1118 WeakPolarHBondContact O-CG 3.19Å; M1114-Q1118 PolarHBondContact O-N 3.28Å; M1115-Q1118 PolarHBondContact O-N 2.84Å; Q1118-K1122 VanDerWaalsContact O-CG 3.29Å; Q1118-K1122 WeakPolarHBondContact O-CG 3.37Å; Q1118-K1122 PolarHBondContact O-N 3.23Å; Q1118-K1122 VanDerWaalsContact O-N 3.12Å; Q1118-L1150 HydrophobicContact CG-CD1 4.05Å; Q1118-L1150 HydrophobicContact CG-CD2 4.36Å |
| 1119 | V | 84.7 | Confident | 76.6 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.9 | -42.6 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L1073 A1077 M1115 A1116 D1117 V1121 K1122 R1123 L1181 | L1073-V1119 HydrophobicContact CB-CB 4.42Å; L1073-V1119 HydrophobicContact CB-CG1 4.26Å; L1073-V1119 HydrophobicContact CB-CG2 4.09Å; A1077-V1119 HydrophobicContact CB-CG1 4.18Å; M1115-V1119 WeakPolarHBondContact O-CB 3.25Å; M1115-V1119 VanDerWaalsContact O-CG2 3.29Å; M1115-V1119 WeakPolarHBondContact O-CG2 3.41Å; M1115-V1119 PolarHBondContact O-N 2.94Å; A1116-V1119 PolarHBondContact O-N 3.41Å; D1117-V1119 VanDerWaalsContact C-N 3.33Å; D1117-V1119 PolarHBondContact O-N 3.27Å; V1119-V1121 PolarHBondContact O-N 3.11Å; V1119-K1122 PolarHBondContact O-N 2.97Å; V1119-R1123 WeakPolarHBondContact O-CB 3.49Å; V1119-R1123 PolarHBondContact O-N 3.49Å; V1119-L1181 HydrophobicContact CB-CD2 4.03Å; V1119-L1181 HydrophobicContact CG1-CD2 3.89Å |
| 1120 | G | 83.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1116 D1117 R1123 Q1124 | A1116-G1120 WeakPolarHBondContact O-CA 3.45Å; A1116-G1120 PolarHBondContact O-N 2.69Å; D1117-G1120 PolarHBondContact O-N 3.1Å; G1120-R1123 PolarHBondContact O-N 3.06Å; G1120-Q1124 VanDerWaalsContact O-CB 3.3Å; G1120-Q1124 WeakPolarHBondContact O-CB 3.19Å; G1120-Q1124 PolarHBondContact O-N 3.22Å |
| 1121 | V | 81.3 | Confident | 74.8 | Confident | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | D1117 V1119 Q1124 G1125 A1146 L1150 P1174 | D1117-V1121 WeakPolarHBondContact O-CB 3.24Å; D1117-V1121 VanDerWaalsContact O-CG2 3.25Å; D1117-V1121 WeakPolarHBondContact O-CG2 3.43Å; D1117-V1121 PolarHBondContact O-N 3.15Å; V1119-V1121 PolarHBondContact O-N 3.11Å; V1121-Q1124 PolarHBondContact O-N 3.42Å; V1121-G1125 PolarHBondContact O-N 3.04Å; V1121-A1146 HydrophobicContact CG1-CB 4.47Å; V1121-A1146 HydrophobicContact CG2-CB 4.42Å; V1121-L1150 HydrophobicContact CG2-CD1 4.48Å; V1121-P1174 HydrophobicContact CG2-CB 4Å; V1121-P1174 HydrophobicContact CG2-CG 3.64Å |
| 1122 | K | 80.9 | Confident | 73.6 | Confident | 114 Ų | 114 | 52 Ų | 52 | 50% | 0.496 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.6 | -76.9 | 174.4 | -177.6 | 176.5 | 0 | 111.7 | Q1118 V1119 G1125 I1126 | Q1118-K1122 VanDerWaalsContact O-CG 3.29Å; Q1118-K1122 WeakPolarHBondContact O-CG 3.37Å; Q1118-K1122 PolarHBondContact O-N 3.23Å; Q1118-K1122 VanDerWaalsContact O-N 3.12Å; V1119-K1122 PolarHBondContact O-N 2.97Å; K1122-G1125 WeakPolarHBondContact O-CA 3.24Å; K1122-G1125 PolarHBondContact O-N 2.99Å; K1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; K1122-I1126 PolarHBondContact O-N 3.36Å |
| 1123 | R | 77.7 | Confident | 72.3 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 177.3 | 175.9 | 171.2 | -169.3 | 83.4 | -2.5 | 111.7 | A1077 D1078 V1119 G1120 G1125 I1126 L1127 | A1077-R1123 VanDerWaalsContact CB-CD 3.45Å; A1077-R1123 PolarHBondContact O-NE 3.4Å; A1077-R1123 PolarHBondContact O-NH1 3.33Å; A1077-R1123 PolarHBondContact O-NH2 3.42Å; D1078-R1123 VanDerWaalsContact CA-NH1 3.27Å; D1078-R1123 VanDerWaalsContact N-NH1 3.19Å; D1078-R1123 IonicContact OD1-CZ 2.72Å; D1078-R1123 IonicContact OD1-NH1 3.27Å; D1078-R1123 PolarHBondContact OD1-NH1 3.08Å; V1119-R1123 WeakPolarHBondContact O-CB 3.49Å; V1119-R1123 PolarHBondContact O-N 3.49Å; G1120-R1123 PolarHBondContact O-N 3.06Å; R1123-G1125 PolarHBondContact O-N 3.37Å; R1123-I1126 WeakPolarHBondContact O-CA 3.43Å; R1123-I1126 WeakPolarHBondContact O-CB 3.49Å; R1123-I1126 PolarHBondContact O-N 2.77Å; R1123-L1127 HydrophobicContact CG-CD1 4.01Å; R1123-L1127 HydrophobicContact CG-CG 4.36Å; R1123-L1127 WeakPolarHBondContact O-CG 3.49Å; R1123-L1127 PolarHBondContact O-N 2.93Å |
| 1124 | Q | 73.4 | Confident | 71 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 176.7 | -169.2 | 68.7 | 9.6 | 0 | 0 | 110.5 | G1120 V1121 I1126 L1127 H1128 C1175 A1177 | G1120-Q1124 VanDerWaalsContact O-CB 3.3Å; G1120-Q1124 WeakPolarHBondContact O-CB 3.19Å; G1120-Q1124 PolarHBondContact O-N 3.22Å; V1121-Q1124 PolarHBondContact O-N 3.42Å; Q1124-I1126 PolarHBondContact O-N 3.32Å; Q1124-L1127 PolarHBondContact O-N 2.95Å; Q1124-H1128 WeakPolarHBondContact CG-NE2 3.35Å; Q1124-H1128 PolarHBondContact NE2-CE1 2.64Å; Q1124-H1128 VanDerWaalsContact NE2-CE1 3.31Å; Q1124-H1128 WeakPolarHBondContact O-CB 3.44Å; Q1124-H1128 PolarHBondContact O-CD2 3.2Å; Q1124-H1128 PolarHBondContact O-N 3.43Å; Q1124-C1175 HydrophobicContact CG-CB 4.25Å; Q1124-A1177 HydrophobicContact CB-CB 4.28Å |
| 1125 | G | 69.6 | Low | 69.6 | Low | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1121 K1122 R1123 K1129 | V1121-G1125 PolarHBondContact O-N 3.04Å; K1122-G1125 WeakPolarHBondContact O-CA 3.24Å; K1122-G1125 PolarHBondContact O-N 2.99Å; R1123-G1125 PolarHBondContact O-N 3.37Å; G1125-K1129 PolarHBondContact O-N 2.79Å |
| 1126 | I | 70 | Confident | 67.8 | Low | 107 Ų | 107 | 72.4 Ų | 72.4 | 55% | 0.549 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -49.4 | 174.4 | -65.1 | 166.6 | 0 | 0 | 0 | 110.2 | K1122 R1123 Q1124 H1128 K1129 T1130 | K1122-I1126 WeakPolarHBondContact O-CG1 3.44Å; K1122-I1126 PolarHBondContact O-N 3.36Å; R1123-I1126 WeakPolarHBondContact O-CA 3.43Å; R1123-I1126 WeakPolarHBondContact O-CB 3.49Å; R1123-I1126 PolarHBondContact O-N 2.77Å; Q1124-I1126 PolarHBondContact O-N 3.32Å; I1126-H1128 PolarHBondContact O-N 3.34Å; I1126-K1129 PolarHBondContact O-N 2.93Å; I1126-T1130 PolarHBondContact O-N 2.86Å; I1126-T1130 PolarHBondContact O-OG1 3.3Å |
| 1127 | L | 65.7 | Low | 66.3 | Low | 77 Ų | 77 | 75.5 Ų | 75.5 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57 | -33.9 | 176.1 | -70 | 169.9 | 0 | 0 | 0 | 111.8 | R1123 Q1124 T1130 V1131 | R1123-L1127 HydrophobicContact CG-CD1 4.01Å; R1123-L1127 HydrophobicContact CG-CG 4.36Å; R1123-L1127 WeakPolarHBondContact O-CG 3.49Å; R1123-L1127 PolarHBondContact O-N 2.93Å; Q1124-L1127 PolarHBondContact O-N 2.95Å; L1127-T1130 WeakPolarHBondContact CA-OG1 3.31Å; L1127-T1130 PolarHBondContact O-OG1 3.42Å; L1127-V1131 VanDerWaalsContact O-CG2 3.31Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.35Å |
| 1128 | H | 61.3 | Low | 64.8 | Low | 13 Ų | 13 | 83.4 Ų | 83.4 | 6% | 0.06 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.4 | -29.6 | 176.1 | -70.4 | -32.9 | 0 | 0 | 0 | 114 | Q1124 I1126 L1136 L1139 | Q1124-H1128 WeakPolarHBondContact CG-NE2 3.35Å; Q1124-H1128 PolarHBondContact NE2-CE1 2.64Å; Q1124-H1128 VanDerWaalsContact NE2-CE1 3.31Å; Q1124-H1128 WeakPolarHBondContact O-CB 3.44Å; Q1124-H1128 PolarHBondContact O-CD2 3.2Å; Q1124-H1128 PolarHBondContact O-N 3.43Å; I1126-H1128 PolarHBondContact O-N 3.34Å; H1128-L1136 WeakPolarHBondContact O-CD2 2.8Å; H1128-L1139 WeakPolarHBondContact ND1-CB 2.98Å |
| 1129 | K | 59 | Low | 63.1 | Low | 176 Ų | 176 | 82.2 Ų | 82.2 | 77% | 0.765 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.3 | -24.6 | 178.4 | -71.6 | 176.2 | -178.3 | 179.7 | 0 | 113 | G1125 I1126 | G1125-K1129 PolarHBondContact O-N 2.79Å; I1126-K1129 PolarHBondContact O-N 2.93Å |
| 1130 | T | 57 | Low | 61.6 | Low | 112 Ų | 112 | 87.6 Ų | 87.6 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -5.5 | -176.8 | 38.3 | 0 | 0 | 0 | 0 | 115 | I1126 L1127 | I1126-T1130 PolarHBondContact O-N 2.86Å; I1126-T1130 PolarHBondContact O-OG1 3.3Å; L1127-T1130 WeakPolarHBondContact CA-OG1 3.31Å; L1127-T1130 PolarHBondContact O-OG1 3.42Å |
| 1131 | V | 53.7 | Low | 60.4 | Low | 50 Ų | 50 | 92.4 Ų | 92.4 | 30% | 0.303 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -102.6 | 149.3 | -173 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | L1127 K1135 L1136 L1139 | L1127-V1131 VanDerWaalsContact O-CG2 3.31Å; L1127-V1131 WeakPolarHBondContact O-CG2 3.35Å; V1131-K1135 HydrophobicContact CG1-CB 3.46Å; V1131-K1135 VanDerWaalsContact CG1-CB 3.46Å; V1131-K1135 HydrophobicContact CG1-CD 3.6Å; V1131-K1135 HydrophobicContact CG1-CG 4.16Å; V1131-L1136 WeakPolarHBondContact O-CD1 3.34Å; V1131-L1136 WeakPolarHBondContact O-CG 3.45Å; V1131-L1139 HydrophobicContact CB-CD1 4.21Å; V1131-L1139 HydrophobicContact CG1-CD1 4.15Å; V1131-L1139 HydrophobicContact CG2-CD1 4.38Å |
| 1132 | S | 51.6 | Low | 59.2 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | trans | -53.2 | 150.2 | -176.1 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | H1134 K1135 L1136 | S1132-H1134 PolarHBondContact O-N 2.86Å; S1132-K1135 PolarHBondContact O-N 2.92Å; S1132-L1136 PolarHBondContact O-N 2.96Å | ||
| 1133 | R | 52.6 | Low | 57.9 | Low | 229 Ų | 229 | 91.5 Ų | 91.5 | 86% | 0.864 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -45.8 | -34.2 | -174.3 | -101.1 | -177.9 | 173.7 | 170.2 | -1.9 | 115.7 | L1136 | R1133-L1136 WeakPolarHBondContact O-CB 3.41Å |
| 1134 | H | 52.1 | Low | 57.1 | Low | 183 Ų | 183 | 95.6 Ų | 95.6 | 85% | 0.847 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.6 | -36.6 | -180 | -79.4 | -62.5 | 0 | 0 | 0 | 114.2 | S1132 L1136 | S1132-H1134 PolarHBondContact O-N 2.86Å; H1134-L1136 VanDerWaalsContact C-N 3.31Å |
| 1135 | K | 51.3 | Low | 56.4 | Low | 138 Ų | 138 | 100.6 Ų | 100.6 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.3 | -29.7 | 171.8 | -101.6 | 178.9 | -179.1 | 177.6 | 0 | 111 | V1131 S1132 A1137 K1138 L1139 | V1131-K1135 HydrophobicContact CG1-CB 3.46Å; V1131-K1135 VanDerWaalsContact CG1-CB 3.46Å; V1131-K1135 HydrophobicContact CG1-CD 3.6Å; V1131-K1135 HydrophobicContact CG1-CG 4.16Å; S1132-K1135 PolarHBondContact O-N 2.92Å; K1135-A1137 PolarHBondContact O-N 3.06Å; K1135-K1138 PolarHBondContact O-N 3.21Å; K1135-L1139 HydrophobicContact CB-CD1 4.02Å; K1135-L1139 VanDerWaalsContact O-CB 3.29Å; K1135-L1139 WeakPolarHBondContact O-CB 3.25Å; K1135-L1139 WeakPolarHBondContact O-CD1 3.23Å; K1135-L1139 WeakPolarHBondContact O-CG 3.43Å; K1135-L1139 PolarHBondContact O-N 3.29Å |
| 1136 | L | 46 | Very low | 55.7 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 25% | 0.246 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -52.5 | -46.2 | 176.4 | -105.6 | 160.5 | 0 | 0 | 0 | 112.7 | H1128 V1131 S1132 R1133 H1134 K1138 L1139 F1140 | H1128-L1136 WeakPolarHBondContact O-CD2 2.8Å; V1131-L1136 WeakPolarHBondContact O-CD1 3.34Å; V1131-L1136 WeakPolarHBondContact O-CG 3.45Å; S1132-L1136 PolarHBondContact O-N 2.96Å; R1133-L1136 WeakPolarHBondContact O-CB 3.41Å; H1134-L1136 VanDerWaalsContact C-N 3.31Å; L1136-K1138 PolarHBondContact O-N 3.04Å; L1136-L1139 PolarHBondContact O-N 3.5Å; L1136-F1140 WeakPolarHBondContact O-CB 3.43Å; L1136-F1140 PolarHBondContact O-N 2.86Å |
| 1137 | A | 52.4 | Low | 55.2 | Low | 65 Ų | 65 | 99.8 Ų | 99.8 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1135 | K1135-A1137 PolarHBondContact O-N 3.06Å |
| 1138 | K | 52.7 | Low | 55 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 74% | 0.735 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.1 | -39 | 178.3 | -161.5 | 175.2 | -175.9 | 179.3 | 0 | 111.4 | K1135 L1136 | K1135-K1138 PolarHBondContact O-N 3.21Å; L1136-K1138 PolarHBondContact O-N 3.04Å |
| 1139 | L | 47.9 | Very low | 54.9 | Low | 40 Ų | 40 | 104.3 Ų | 104.3 | 21% | 0.209 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -74 | -32.5 | 178.7 | -70.3 | 172.8 | 0 | 0 | 0 | 113.1 | H1128 V1131 K1135 L1136 N1141 I1142 G1143 | H1128-L1139 WeakPolarHBondContact ND1-CB 2.98Å; V1131-L1139 HydrophobicContact CB-CD1 4.21Å; V1131-L1139 HydrophobicContact CG1-CD1 4.15Å; V1131-L1139 HydrophobicContact CG2-CD1 4.38Å; K1135-L1139 HydrophobicContact CB-CD1 4.02Å; K1135-L1139 VanDerWaalsContact O-CB 3.29Å; K1135-L1139 WeakPolarHBondContact O-CB 3.25Å; K1135-L1139 WeakPolarHBondContact O-CD1 3.23Å; K1135-L1139 WeakPolarHBondContact O-CG 3.43Å; K1135-L1139 PolarHBondContact O-N 3.29Å; L1136-L1139 PolarHBondContact O-N 3.5Å; L1139-N1141 VanDerWaalsContact C-N 3.35Å; L1139-N1141 PolarHBondContact O-N 2.8Å; L1139-I1142 PolarHBondContact O-N 3.33Å; L1139-G1143 PolarHBondContact O-N 2.84Å |
| 1140 | F | 54.1 | Low | 55 | Low | 118 Ų | 118 | 97.1 Ų | 97.1 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 178.5 | -156.9 | -95.6 | 0 | 0 | 0 | 112.1 | L1136 K1144 | L1136-F1140 WeakPolarHBondContact O-CB 3.43Å; L1136-F1140 PolarHBondContact O-N 2.86Å; F1140-K1144 HydrophobicContact CD1-CD 4.27Å; F1140-K1144 HydrophobicContact CE1-CD 4.25Å; F1140-K1144 WeakPolarHBondContact O-CB 3.29Å; F1140-K1144 PolarHBondContact O-N 3.13Å |
| 1141 | N | 58.1 | Low | 55.2 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 173.1 | -74.8 | -16.6 | 0 | 0 | 0 | 111.8 | L1139 K1144 M1145 | L1139-N1141 VanDerWaalsContact C-N 3.35Å; L1139-N1141 PolarHBondContact O-N 2.8Å; N1141-K1144 PolarHBondContact O-N 3.09Å; N1141-M1145 WeakPolarHBondContact O-CG 3.5Å; N1141-M1145 PolarHBondContact O-N 3.42Å |
| 1142 | I | 56.5 | Low | 55.5 | Low | 83 Ų | 83 | 99.9 Ų | 99.9 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -45.9 | 175.8 | -63.3 | 168 | 0 | 0 | 0 | 110.5 | L1139 K1144 M1145 A1146 | L1139-I1142 PolarHBondContact O-N 3.33Å; I1142-K1144 PolarHBondContact O-N 3.38Å; I1142-M1145 PolarHBondContact O-N 2.78Å; I1142-A1146 PolarHBondContact O-N 3.01Å |
| 1143 | G | 53.9 | Low | 55.8 | Low | 17 Ų | 17 | 98.4 Ų | 98.4 | 18% | 0.175 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1139 A1146 H1147 | L1139-G1143 PolarHBondContact O-N 2.84Å; G1143-A1146 PolarHBondContact O-N 3.04Å; G1143-H1147 PolarHBondContact O-N 3.22Å |
| 1144 | K | 60.5 | Low | 55.9 | Low | 137 Ų | 137 | 91.3 Ų | 91.3 | 60% | 0.596 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.1 | -40.2 | 173.3 | -89.9 | -176.1 | 171.4 | 176.6 | 0 | 112.6 | F1140 N1141 I1142 K1148 | F1140-K1144 HydrophobicContact CD1-CD 4.27Å; F1140-K1144 HydrophobicContact CE1-CD 4.25Å; F1140-K1144 WeakPolarHBondContact O-CB 3.29Å; F1140-K1144 PolarHBondContact O-N 3.13Å; N1141-K1144 PolarHBondContact O-N 3.09Å; I1142-K1144 PolarHBondContact O-N 3.38Å; K1144-K1148 WeakPolarHBondContact O-CB 3.28Å; K1144-K1148 PolarHBondContact O-N 3.06Å |
| 1145 | M | 58.9 | Low | 56 | Low | 142 Ų | 142 | 86.1 Ų | 86.1 | 70% | 0.7 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 175.8 | -75 | -176.5 | 171.4 | 0 | 0 | 111.4 | N1141 I1142 K1148 A1149 | N1141-M1145 WeakPolarHBondContact O-CG 3.5Å; N1141-M1145 PolarHBondContact O-N 3.42Å; I1142-M1145 PolarHBondContact O-N 2.78Å; M1145-K1148 PolarHBondContact O-N 3.03Å; M1145-A1149 PolarHBondContact O-N 3.47Å |
| 1146 | A | 55.6 | Low | 56.1 | Low | 6 Ų | 6 | 85.8 Ų | 85.8 | 5% | 0.05 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1121 I1142 G1143 K1148 A1149 L1150 C1175 | V1121-A1146 HydrophobicContact CG1-CB 4.47Å; V1121-A1146 HydrophobicContact CG2-CB 4.42Å; I1142-A1146 PolarHBondContact O-N 3.01Å; G1143-A1146 PolarHBondContact O-N 3.04Å; A1146-K1148 VanDerWaalsContact C-N 3.32Å; A1146-K1148 PolarHBondContact O-N 3.25Å; A1146-A1149 PolarHBondContact O-N 3.46Å; A1146-L1150 PolarHBondContact O-N 3.47Å; A1146-C1175 HydrophobicContact CB-CB 4.49Å |
| 1147 | H | 58.9 | Low | 56.2 | Low | 111 Ų | 111 | 87.5 Ų | 87.5 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 174.3 | -104.6 | -62.5 | 0 | 0 | 0 | 112.8 | G1143 K1151 | G1143-H1147 PolarHBondContact O-N 3.22Å; H1147-K1151 WeakPolarHBondContact O-CB 3.26Å; H1147-K1151 PolarHBondContact O-N 3.35Å; H1147-K1151 VanDerWaalsContact O-N 3.11Å |
| 1148 | K | 61.4 | Low | 55.9 | Low | 147 Ų | 147 | 92.7 Ų | 92.7 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.1 | -41.5 | 176.2 | -169 | 179.3 | 179 | -174.8 | 0 | 111.2 | K1144 M1145 A1146 K1151 I1152 | K1144-K1148 WeakPolarHBondContact O-CB 3.28Å; K1144-K1148 PolarHBondContact O-N 3.06Å; M1145-K1148 PolarHBondContact O-N 3.03Å; A1146-K1148 VanDerWaalsContact C-N 3.32Å; A1146-K1148 PolarHBondContact O-N 3.25Å; K1148-K1151 PolarHBondContact O-N 3.14Å; K1148-I1152 HydrophobicContact CG-CD1 4.13Å; K1148-I1152 WeakPolarHBondContact O-CD1 3.44Å; K1148-I1152 VanDerWaalsContact O-CG1 3.23Å; K1148-I1152 WeakPolarHBondContact O-CG1 3.5Å; K1148-I1152 PolarHBondContact O-N 2.86Å |
| 1149 | A | 59.3 | Low | 55.4 | Low | 38 Ų | 38 | 90.9 Ų | 90.9 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M1145 A1146 K1151 I1152 M1153 | M1145-A1149 PolarHBondContact O-N 3.47Å; A1146-A1149 PolarHBondContact O-N 3.46Å; A1149-K1151 VanDerWaalsContact C-N 3.31Å; A1149-K1151 PolarHBondContact O-N 3.47Å; A1149-I1152 PolarHBondContact O-N 3.38Å; A1149-M1153 WeakPolarHBondContact O-CG 3.4Å; A1149-M1153 PolarHBondContact O-N 3.3Å |
| 1150 | L | 61.1 | Low | 54.7 | Low | 24 Ų | 24 | 93.2 Ų | 93.2 | 13% | 0.126 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -57.9 | -44.1 | 175.5 | -166.2 | 93 | 0 | 0 | 0 | 111.7 | D1117 Q1118 V1121 A1146 I1152 M1153 E1154 | D1117-L1150 HydrophobicContact CB-CD1 4.43Å; Q1118-L1150 HydrophobicContact CG-CD1 4.05Å; Q1118-L1150 HydrophobicContact CG-CD2 4.36Å; V1121-L1150 HydrophobicContact CG2-CD1 4.48Å; A1146-L1150 PolarHBondContact O-N 3.47Å; L1150-I1152 PolarHBondContact O-N 3.28Å; L1150-M1153 PolarHBondContact O-N 3.08Å; L1150-E1154 WeakPolarHBondContact O-CG 3.28Å; L1150-E1154 PolarHBondContact O-N 3.47Å |
| 1151 | K | 61 | Low | 53.8 | Low | 145 Ų | 145 | 91.4 Ų | 91.4 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.7 | -35.4 | -179.7 | -146.1 | 175.6 | -171.5 | -178.4 | 0 | 112.5 | H1147 K1148 A1149 E1154 T1155 | H1147-K1151 WeakPolarHBondContact O-CB 3.26Å; H1147-K1151 PolarHBondContact O-N 3.35Å; H1147-K1151 VanDerWaalsContact O-N 3.11Å; K1148-K1151 PolarHBondContact O-N 3.14Å; A1149-K1151 VanDerWaalsContact C-N 3.31Å; A1149-K1151 PolarHBondContact O-N 3.47Å; K1151-E1154 PolarHBondContact O-N 3.02Å; K1151-T1155 PolarHBondContact O-N 3.47Å; K1151-T1155 PolarHBondContact O-OG1 3.33Å |
| 1152 | I | 60.2 | Low | 52.5 | Low | 75 Ų | 75 | 95.4 Ų | 95.4 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 173 | -70 | 163.4 | 0 | 0 | 0 | 109.8 | K1148 A1149 L1150 E1154 T1155 E1156 | K1148-I1152 HydrophobicContact CG-CD1 4.13Å; K1148-I1152 WeakPolarHBondContact O-CD1 3.44Å; K1148-I1152 VanDerWaalsContact O-CG1 3.23Å; K1148-I1152 WeakPolarHBondContact O-CG1 3.5Å; K1148-I1152 PolarHBondContact O-N 2.86Å; A1149-I1152 PolarHBondContact O-N 3.38Å; L1150-I1152 PolarHBondContact O-N 3.28Å; I1152-E1154 VanDerWaalsContact C-N 3.35Å; I1152-E1154 PolarHBondContact O-N 3.39Å; I1152-T1155 WeakPolarHBondContact CA-OG1 3.41Å; I1152-T1155 PolarHBondContact O-N 3.33Å; I1152-T1155 PolarHBondContact O-OG1 3Å; I1152-E1156 HydrophobicContact CG2-CG 4.43Å; I1152-E1156 WeakPolarHBondContact O-CG 3.47Å; I1152-E1156 PolarHBondContact O-N 3.29Å |
| 1153 | M | 56.8 | Low | 51.3 | Low | 50 Ų | 50 | 99.6 Ų | 99.6 | 25% | 0.246 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 176.4 | -70.2 | -179.8 | 66.8 | 0 | 0 | 113.1 | A1149 L1150 P1171 | A1149-M1153 WeakPolarHBondContact O-CG 3.4Å; A1149-M1153 PolarHBondContact O-N 3.3Å; L1150-M1153 PolarHBondContact O-N 3.08Å; M1153-P1171 HydrophobicContact CE-CB 4.29Å; M1153-P1171 HydrophobicContact CE-CG 3.97Å |
| 1154 | E | 55.7 | Low | 50.3 | Low | 81 Ų | 81 | 107.8 Ų | 107.8 | 38% | 0.379 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -39.1 | 175.2 | -74.5 | 173.8 | 170.9 | 0 | 0 | 112 | L1150 K1151 I1152 | L1150-E1154 WeakPolarHBondContact O-CG 3.28Å; L1150-E1154 PolarHBondContact O-N 3.47Å; K1151-E1154 PolarHBondContact O-N 3.02Å; I1152-E1154 VanDerWaalsContact C-N 3.35Å; I1152-E1154 PolarHBondContact O-N 3.39Å |
| 1155 | T | 53.5 | Low | 48.9 | Very low | 74 Ų | 74 | 108.9 Ų | 108.9 | 45% | 0.454 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.3 | -34 | 179 | 44.7 | 0 | 0 | 0 | 0 | 114 | K1151 I1152 Q1157 Q1158 | K1151-T1155 PolarHBondContact O-N 3.47Å; K1151-T1155 PolarHBondContact O-OG1 3.33Å; I1152-T1155 WeakPolarHBondContact CA-OG1 3.41Å; I1152-T1155 PolarHBondContact O-N 3.33Å; I1152-T1155 PolarHBondContact O-OG1 3Å; T1155-Q1157 PolarHBondContact O-N 3.29Å; T1155-Q1158 PolarHBondContact O-N 3.31Å |
| 1156 | E | 53.5 | Low | 47.7 | Very low | 130 Ų | 130 | 111.1 Ų | 111.1 | 61% | 0.607 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.3 | -28.4 | 178 | -76.6 | 176.3 | 173.3 | 0 | 0 | 112.3 | I1152 | I1152-E1156 HydrophobicContact CG2-CG 4.43Å; I1152-E1156 WeakPolarHBondContact O-CG 3.47Å; I1152-E1156 PolarHBondContact O-N 3.29Å |
| 1157 | Q | 48 | Very low | 46.7 | Very low | 84 Ų | 84 | 117 Ų | 117 | 39% | 0.393 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.7 | -25.6 | 177.2 | -73.1 | -176.4 | -2.5 | 0 | 0 | 114.4 | K1110 M1114 T1155 V1159 | K1110-Q1157 VanDerWaalsContact CE-NE2 3.34Å; M1114-Q1157 PolarHBondContact SD-NE2 3.37Å; T1155-Q1157 PolarHBondContact O-N 3.29Å; Q1157-V1159 VanDerWaalsContact C-N 3.31Å |
| 1158 | Q | 45.5 | Very low | 46.1 | Very low | 174 Ų | 174 | 120.5 Ų | 120.5 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.8 | -16.2 | 179.1 | -75.2 | -169 | -20.7 | 0 | 0 | 113.4 | T1155 | T1155-Q1158 PolarHBondContact O-N 3.31Å |
| 1159 | V | 42.9 | Very low | 45.4 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 79% | 0.794 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -101.8 | -16.1 | -171 | -177.8 | 0 | 0 | 0 | 0 | 113 | Q1157 | Q1157-V1159 VanDerWaalsContact C-N 3.31Å |
| 1160 | S | 32.5 | Very low | 45.1 | Very low | 88 Ų | 88 | 124.2 Ų | 124.2 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | trans | -108.6 | 81.9 | -178.4 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | K1162 | S1160-K1162 VanDerWaalsContact C-N 3.28Å; S1160-K1162 PolarHBondContact O-N 3.07Å | ||
| 1161 | G | 35.3 | Very low | 45.2 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 65% | 0.653 | S | S | * | * | trans | -82.3 | 48.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1162 | K | 30.8 | Very low | 45.5 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 81% | 0.809 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -142.6 | 127.6 | 177.2 | -73.8 | -171.6 | 176.9 | 177.1 | 0 | 113.4 | S1160 K1164 | S1160-K1162 VanDerWaalsContact C-N 3.28Å; S1160-K1162 PolarHBondContact O-N 3.07Å; K1162-K1164 VanDerWaalsContact C-N 3.31Å; K1162-K1164 PolarHBondContact O-N 3.24Å |
| 1163 | D | 33.2 | Very low | 46 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 91% | 0.914 | 66% | 0.66 | S | S | * | * | trans | -64.7 | 51.3 | -173.7 | -56.6 | -60.6 | 0 | 0 | 0 | 117.3 | ||||
| 1164 | K | 31 | Very low | 46.9 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 82% | 0.817 | 66% | 0.656 | S | S | * | * | trans | -134.7 | 129.3 | 174.6 | -67.5 | -174.1 | 178.4 | -178 | 0 | 111.5 | K1162 | K1162-K1164 VanDerWaalsContact C-N 3.31Å; K1162-K1164 PolarHBondContact O-N 3.24Å | ||
| 1165 | I | 31.9 | Very low | 47.9 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 82% | 0.821 | 64% | 0.643 | S | S | * | * | trans | 101.1 | 77.5 | 177.6 | -47.4 | 155.1 | 0 | 0 | 0 | 113.2 | ||||
| 1166 | M | 34.1 | Very low | 49.2 | Very low | 189 Ų | 189 | 121.6 Ų | 121.6 | 93% | 0.931 | 65% | 0.649 | S | S | * | * | trans | -92.1 | -2.6 | 169.2 | -86.3 | -176.1 | 68.7 | 0 | 0 | 114.3 | ||||
| 1167 | N | 35.1 | Very low | 50.5 | Low | 131 Ų | 131 | 115.7 Ų | 115.7 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -133.9 | 132.9 | -176.4 | -70.7 | -22.4 | 0 | 0 | 0 | 110.8 | ||
| 1168 | E | 45.1 | Very low | 52.2 | Low | 184 Ų | 184 | 111.7 Ų | 111.7 | 86% | 0.86 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 128.1 | -6.7 | 138.3 | -77.7 | 171.7 | -164.5 | 0 | 0 | 124.5 | ||
| 1169 | I | 47.1 | Very low | 54 | Low | 161 Ų | 161 | 104.7 Ų | 104.7 | 83% | 0.826 | 58% | 0.576 | S | S | * | * | trans | -139.2 | 111.6 | 170.6 | -50.9 | 176.8 | 0 | 0 | 0 | 112.4 | P1171 | I1169-P1171 WeakPolarHBondContact O-CD 3.34Š| ||
| 1170 | I | 53.5 | Low | 56 | Low | 102 Ų | 102 | 102 Ų | 102 | 52% | 0.523 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 117 | 170 | -56.8 | 172.3 | 0 | 0 | 0 | 107.4 | I1107 | I1107-I1170 HydrophobicContact CG2-CD1 4.17Å; I1107-I1170 HydrophobicContact CG2-CG1 4.43Å |
| 1171 | P | 63.3 | Low | 58.6 | Low | 55 Ų | 55 | 97.8 Ų | 97.8 | 36% | 0.357 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 139.5 | 175.8 | 22.9 | -30.5 | 0 | 0 | 0 | 110.8 | M1153 I1169 R1182 | M1153-P1171 HydrophobicContact CE-CB 4.29Å; M1153-P1171 HydrophobicContact CE-CG 3.97Å; I1169-P1171 WeakPolarHBondContact O-CD 3.34Å; P1171-R1182 PolarHBondContact O-NH1 3.3Å; P1171-R1182 PolarHBondContact O-NH2 2.68Å |
| 1172 | E | 65.6 | Low | 61 | Low | 174 Ų | 174 | 95 Ų | 95 | 81% | 0.813 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 142.4 | 177.8 | -72.6 | -172.9 | 172.4 | 0 | 0 | 111.3 | ||
| 1173 | P | 72 | Confident | 63.5 | Low | 54 Ų | 54 | 90.2 Ų | 90.2 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 136.4 | 178 | 25.3 | -32.4 | 0 | 0 | 0 | 110.9 | C1175 A1178 A1179 | P1173-C1175 PolarHBondContact O-N 3.11Å; P1173-A1178 HydrophobicContact CB-CB 4.43Å; P1173-A1179 HydrophobicContact CB-CB 3.82Å; P1173-A1179 HydrophobicContact CG-CB 3.6Å |
| 1174 | P | 74.7 | Confident | 66 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 16% | 0.162 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -69.1 | -18 | -174.2 | 27.4 | -36 | 0 | 0 | 0 | 113.9 | D1117 V1121 A1178 | D1117-P1174 HydrophobicContact CB-CG 4.04Å; D1117-P1174 WeakPolarHBondContact OD1-CD 3.34Å; V1121-P1174 HydrophobicContact CG2-CB 4Å; V1121-P1174 HydrophobicContact CG2-CG 3.64Å; P1174-A1178 HydrophobicContact CG-CB 3.99Å |
| 1175 | C | 77.3 | Confident | 68.7 | Low | 16 Ų | 16 | 73.2 Ų | 73.2 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -157.1 | 165.4 | 176.4 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | Q1124 A1146 P1173 A1177 A1178 A1179 | Q1124-C1175 HydrophobicContact CG-CB 4.25Å; A1146-C1175 HydrophobicContact CB-CB 4.49Å; P1173-C1175 PolarHBondContact O-N 3.11Å; C1175-A1177 VanDerWaalsContact C-N 3.35Å; C1175-A1177 PolarHBondContact O-N 3.09Å; C1175-A1178 WeakPolarHBondContact O-CB 3.46Å; C1175-A1178 PolarHBondContact O-N 3.19Å; C1175-A1178 VanDerWaalsContact O-N 3.13Å; C1175-A1178 VanDerWaalsContact SG-CB 3.57Å; C1175-A1178 PolarHBondContact SG-N 2.86Å; C1175-A1178 VanDerWaalsContact SG-N 3.36Å; C1175-A1179 PolarHBondContact O-N 3.2Å |
| 1176 | A | 81.5 | Confident | 71.2 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.7 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1178 A1179 E1180 | A1176-A1178 VanDerWaalsContact C-N 3.28Å; A1176-A1178 PolarHBondContact O-N 2.91Å; A1176-A1179 WeakPolarHBondContact O-CB 3.21Å; A1176-A1179 PolarHBondContact O-N 3.44Å; A1176-A1179 VanDerWaalsContact O-N 3.17Å; A1176-E1180 WeakPolarHBondContact O-CG 3.45Å; A1176-E1180 PolarHBondContact O-N 2.97Å |
| 1177 | A | 80.7 | Confident | 73.6 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -31.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q1124 C1175 L1181 | Q1124-A1177 HydrophobicContact CB-CB 4.28Å; C1175-A1177 VanDerWaalsContact C-N 3.35Å; C1175-A1177 PolarHBondContact O-N 3.09Å; A1177-L1181 VanDerWaalsContact O-CB 3.29Å; A1177-L1181 WeakPolarHBondContact O-CB 3.32Å; A1177-L1181 PolarHBondContact O-N 3.28Å; A1177-L1181 VanDerWaalsContact O-N 3.12Å |
| 1178 | A | 83.5 | Confident | 76.1 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1173 P1174 C1175 A1176 L1181 R1182 | P1173-A1178 HydrophobicContact CB-CB 4.43Å; P1174-A1178 HydrophobicContact CG-CB 3.99Å; C1175-A1178 WeakPolarHBondContact O-CB 3.46Å; C1175-A1178 PolarHBondContact O-N 3.19Å; C1175-A1178 VanDerWaalsContact O-N 3.13Å; C1175-A1178 VanDerWaalsContact SG-CB 3.57Å; C1175-A1178 PolarHBondContact SG-N 2.86Å; C1175-A1178 VanDerWaalsContact SG-N 3.36Å; A1176-A1178 VanDerWaalsContact C-N 3.28Å; A1176-A1178 PolarHBondContact O-N 2.91Å; A1178-L1181 PolarHBondContact O-N 2.78Å; A1178-R1182 WeakPolarHBondContact O-CG 3.37Å; A1178-R1182 PolarHBondContact O-N 2.97Å |
| 1179 | A | 83.5 | Confident | 78 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -51.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1173 C1175 A1176 L1181 R1182 D1183 | P1173-A1179 HydrophobicContact CB-CB 3.82Å; P1173-A1179 HydrophobicContact CG-CB 3.6Å; C1175-A1179 PolarHBondContact O-N 3.2Å; A1176-A1179 WeakPolarHBondContact O-CB 3.21Å; A1176-A1179 PolarHBondContact O-N 3.44Å; A1176-A1179 VanDerWaalsContact O-N 3.17Å; A1179-L1181 VanDerWaalsContact C-N 3.28Å; A1179-L1181 PolarHBondContact O-N 3.21Å; A1179-R1182 PolarHBondContact O-N 3.35Å; A1179-D1183 PolarHBondContact O-N 3.35Å |
| 1180 | E | 84.2 | Confident | 79.8 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.8 | -37.6 | 178.1 | -66.5 | -168.8 | 130.6 | 0 | 0 | 112.6 | K1084 A1176 L1184 | K1084-E1180 IonicContact NZ-OE1 2.83Å; K1084-E1180 PolarHBondContact NZ-OE1 3.06Å; A1176-E1180 WeakPolarHBondContact O-CG 3.45Å; A1176-E1180 PolarHBondContact O-N 2.97Å; E1180-L1184 VanDerWaalsContact O-CB 3.3Å; E1180-L1184 WeakPolarHBondContact O-CB 3.38Å; E1180-L1184 PolarHBondContact O-N 2.89Å |
| 1181 | L | 86.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.3 | -36.5 | 178.6 | -169.6 | 62.9 | 0 | 0 | 0 | 111.9 | F1076 A1077 A1116 V1119 A1177 A1178 A1179 L1184 C1185 | F1076-L1181 HydrophobicContact CB-CD1 3.95Å; A1077-L1181 HydrophobicContact CB-CD1 4.39Å; A1077-L1181 HydrophobicContact CB-CD2 4.48Å; A1116-L1181 HydrophobicContact CB-CD2 4.2Å; A1116-L1181 HydrophobicContact CB-CG 4.22Å; A1116-L1181 WeakPolarHBondContact O-CD2 3.22Å; V1119-L1181 HydrophobicContact CB-CD2 4.03Å; V1119-L1181 HydrophobicContact CG1-CD2 3.89Å; A1177-L1181 VanDerWaalsContact O-CB 3.29Å; A1177-L1181 WeakPolarHBondContact O-CB 3.32Å; A1177-L1181 PolarHBondContact O-N 3.28Å; A1177-L1181 VanDerWaalsContact O-N 3.12Å; A1178-L1181 PolarHBondContact O-N 2.78Å; A1179-L1181 VanDerWaalsContact C-N 3.28Å; A1179-L1181 PolarHBondContact O-N 3.21Å; L1181-L1184 HydrophobicContact CD1-CD2 4.46Å; L1181-L1184 PolarHBondContact O-N 3.45Å; L1181-C1185 WeakPolarHBondContact O-CB 3.43Å; L1181-C1185 PolarHBondContact O-N 3.33Å; L1181-C1185 PolarHBondContact O-SG 2.88Å |
| 1182 | R | 85.6 | Confident | 82.5 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 8% | 0.083 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -48.1 | 173.4 | -75.2 | 179.1 | -176.4 | -170.4 | 5.5 | 111 | L1108 Q1113 A1116 D1117 P1171 A1178 A1179 L1184 C1185 L1186 | L1108-R1182 HydrophobicContact CD2-CB 4.22Å; L1108-R1182 HydrophobicContact CD2-CG 4.1Å; Q1113-R1182 VanDerWaalsContact NE2-CZ 3.28Å; Q1113-R1182 VanDerWaalsContact NE2-NH1 3.17Å; A1116-R1182 HydrophobicContact CB-CG 4.31Å; D1117-R1182 IonicContact OD1-CZ 3.41Å; D1117-R1182 IonicContact OD1-NE 2.73Å; D1117-R1182 PolarHBondContact OD1-NE 2.85Å; D1117-R1182 IonicContact OD1-NH2 2.92Å; D1117-R1182 PolarHBondContact OD1-NH2 3.47Å; D1117-R1182 IonicContact OD2-CZ 3.91Å; D1117-R1182 IonicContact OD2-NE 2.72Å; D1117-R1182 IonicContact OD2-NH2 3.88Å; D1117-R1182 PolarHBondContact OD2-NH2 3.32Å; P1171-R1182 PolarHBondContact O-NH1 3.3Å; P1171-R1182 PolarHBondContact O-NH2 2.68Å; A1178-R1182 WeakPolarHBondContact O-CG 3.37Å; A1178-R1182 PolarHBondContact O-N 2.97Å; A1179-R1182 PolarHBondContact O-N 3.35Å; R1182-L1184 VanDerWaalsContact C-N 3.29Å; R1182-L1184 PolarHBondContact O-N 3.16Å; R1182-C1185 WeakPolarHBondContact O-CB 3.44Å; R1182-C1185 PolarHBondContact O-N 3.43Å; R1182-L1186 PolarHBondContact O-N 2.71Å |
| 1183 | D | 83.6 | Confident | 83.5 | Confident | 86 Ų | 86 | 29.4 Ų | 29.4 | 46% | 0.46 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.2 | -42.5 | 178.2 | -65.4 | -16.2 | 0 | 0 | 0 | 111.1 | A1179 L1186 A1187 | A1179-D1183 PolarHBondContact O-N 3.35Å; D1183-L1186 PolarHBondContact O-N 3.06Å; D1183-A1187 WeakPolarHBondContact O-CB 3.34Å; D1183-A1187 PolarHBondContact O-N 2.8Å |
| 1184 | L | 86.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -39.3 | 177.5 | -169.4 | 71.7 | 0 | 0 | 0 | 112.4 | F1076 M1083 K1084 W1087 E1180 L1181 R1182 L1186 A1187 K1188 | F1076-L1184 HydrophobicContact CB-CD2 3.93Å; M1083-L1184 HydrophobicContact CB-CD1 3.68Å; M1083-L1184 HydrophobicContact CB-CD2 3.83Å; M1083-L1184 HydrophobicContact CB-CG 4.27Å; M1083-L1184 HydrophobicContact CG-CD2 4.4Å; K1084-L1184 HydrophobicContact CG-CD1 4.4Å; W1087-L1184 HydrophobicContact CE3-CD1 3.63Å; W1087-L1184 HydrophobicContact CE3-CG 4.02Å; W1087-L1184 HydrophobicContact CZ3-CD1 3.88Å; W1087-L1184 HydrophobicContact CZ3-CD2 4.3Å; W1087-L1184 HydrophobicContact CZ3-CG 3.79Å; E1180-L1184 VanDerWaalsContact O-CB 3.3Å; E1180-L1184 WeakPolarHBondContact O-CB 3.38Å; E1180-L1184 PolarHBondContact O-N 2.89Å; L1181-L1184 HydrophobicContact CD1-CD2 4.46Å; L1181-L1184 PolarHBondContact O-N 3.45Å; R1182-L1184 VanDerWaalsContact C-N 3.29Å; R1182-L1184 PolarHBondContact O-N 3.16Å; L1184-L1186 VanDerWaalsContact C-N 3.33Å; L1184-A1187 PolarHBondContact O-N 3.4Å; L1184-K1188 PolarHBondContact O-N 3.26Å |
| 1185 | C | 87 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | L1073 L1108 I1112 L1181 R1182 K1188 I1189 | L1073-C1185 WeakPolarHBondContact CD2-SG 3.38Å; L1108-C1185 HydrophobicContact CD1-CB 3.92Å; L1108-C1185 HydrophobicContact CD2-CB 4.38Å; I1112-C1185 HydrophobicContact CG2-CB 4.38Å; L1181-C1185 WeakPolarHBondContact O-CB 3.43Å; L1181-C1185 PolarHBondContact O-N 3.33Å; L1181-C1185 PolarHBondContact O-SG 2.88Å; R1182-C1185 WeakPolarHBondContact O-CB 3.44Å; R1182-C1185 PolarHBondContact O-N 3.43Å; C1185-K1188 PolarHBondContact O-N 3.06Å; C1185-I1189 WeakPolarHBondContact O-CG1 3.39Å; C1185-I1189 PolarHBondContact O-N 2.99Å |
| 1186 | L | 85.2 | Confident | 85.9 | Confident | 20 Ų | 20 | 31.3 Ų | 31.3 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.6 | -177 | 58.3 | 0 | 0 | 0 | 111.2 | F1103 N1106 R1182 D1183 L1184 K1188 I1189 I1190 | F1103-L1186 HydrophobicContact CB-CD2 4.45Å; F1103-L1186 HydrophobicContact CD1-CD2 3.44Å; F1103-L1186 VanDerWaalsContact CD1-CD2 3.44Å; F1103-L1186 HydrophobicContact CD1-CG 3.93Å; F1103-L1186 HydrophobicContact CE1-CB 4.19Å; F1103-L1186 HydrophobicContact CE1-CD2 3.89Å; F1103-L1186 HydrophobicContact CE1-CG 3.92Å; F1103-L1186 HydrophobicContact CG-CD2 4.15Å; N1106-L1186 HydrophobicContact CB-CD1 3.89Å; R1182-L1186 PolarHBondContact O-N 2.71Å; D1183-L1186 PolarHBondContact O-N 3.06Å; L1184-L1186 VanDerWaalsContact C-N 3.33Å; L1186-K1188 VanDerWaalsContact C-N 3.3Å; L1186-K1188 PolarHBondContact O-N 2.85Å; L1186-I1189 PolarHBondContact O-N 3.25Å; L1186-I1190 HydrophobicContact CD1-CD1 4.37Å; L1186-I1190 HydrophobicContact CG-CD1 4.19Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.39Å; L1186-I1190 PolarHBondContact O-N 2.79Å |
| 1187 | A | 85.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.6 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1087 F1103 D1183 L1184 N1191 | W1087-A1187 HydrophobicContact CB-CB 4.33Å; F1103-A1187 HydrophobicContact CE1-CB 4.46Å; F1103-A1187 HydrophobicContact CZ-CB 3.8Å; D1183-A1187 WeakPolarHBondContact O-CB 3.34Å; D1183-A1187 PolarHBondContact O-N 2.8Å; L1184-A1187 PolarHBondContact O-N 3.4Å; A1187-N1191 PolarHBondContact O-N 3.14Å; A1187-N1191 VanDerWaalsContact O-N 3.15Å; A1187-N1191 PolarHBondContact O-ND2 3.06Å |
| 1188 | K | 87.5 | Confident | 86.8 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 174.4 | 174.6 | 60.1 | -176.9 | -175.2 | 0 | 111.2 | E798 Q1064 L1068 W1087 L1184 C1185 L1186 I1190 N1191 A1192 | E798-K1188 VanDerWaalsContact OE1-CE 3.31Å; E798-K1188 WeakPolarHBondContact OE1-CE 3.33Å; E798-K1188 IonicContact OE1-NZ 2.75Å; E798-K1188 PolarHBondContact OE1-NZ 2.97Å; E798-K1188 IonicContact OE2-NZ 3Å; Q1064-K1188 VanDerWaalsContact O-CE 3.3Å; Q1064-K1188 WeakPolarHBondContact O-CE 3.28Å; L1068-K1188 HydrophobicContact CD2-CG 4.03Å; W1087-K1188 HydrophobicContact CE3-CB 4.02Å; W1087-K1188 HydrophobicContact CH2-CB 3.96Å; W1087-K1188 HydrophobicContact CH2-CD 3.72Å; W1087-K1188 HydrophobicContact CH2-CG 4.11Å; W1087-K1188 HydrophobicContact CZ2-CB 4.43Å; W1087-K1188 HydrophobicContact CZ2-CD 3.5Å; W1087-K1188 HydrophobicContact CZ2-CG 4.37Å; W1087-K1188 HydrophobicContact CZ3-CB 3.71Å; W1087-K1188 HydrophobicContact CZ3-CD 4.34Å; W1087-K1188 HydrophobicContact CZ3-CG 4.38Å; L1184-K1188 PolarHBondContact O-N 3.26Å; C1185-K1188 PolarHBondContact O-N 3.06Å; L1186-K1188 VanDerWaalsContact C-N 3.3Å; L1186-K1188 PolarHBondContact O-N 2.85Å; K1188-I1190 VanDerWaalsContact C-N 3.31Å; K1188-I1190 PolarHBondContact O-N 3.41Å; K1188-N1191 CarbonylContact O-C 3.54Å; K1188-N1191 PolarHBondContact O-N 2.83Å; K1188-A1192 HydrophobicContact CD-CB 4.41Å; K1188-A1192 WeakPolarHBondContact O-CB 3.32Å; K1188-A1192 PolarHBondContact O-N 2.96Å |
| 1189 | I | 85.7 | Confident | 87.3 | Confident | 22 Ų | 22 | 31 Ų | 31 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | -178.9 | -71.5 | 166.4 | 0 | 0 | 0 | 110.8 | V1060 L1068 L1108 I1112 C1185 L1186 A1192 Q1193 | V1060-I1189 HydrophobicContact CG2-CG2 4.29Å; L1068-I1189 HydrophobicContact CD1-CG1 4.19Å; L1068-I1189 HydrophobicContact CD2-CG1 4.5Å; L1108-I1189 HydrophobicContact CD1-CD1 3.53Å; I1112-I1189 HydrophobicContact CD1-CD1 4.18Å; C1185-I1189 WeakPolarHBondContact O-CG1 3.39Å; C1185-I1189 PolarHBondContact O-N 2.99Å; L1186-I1189 PolarHBondContact O-N 3.25Å; I1189-A1192 PolarHBondContact O-N 3.34Å; I1189-Q1193 WeakPolarHBondContact O-CG 3.13Å; I1189-Q1193 PolarHBondContact O-N 3.43Å |
| 1190 | I | 83.8 | Confident | 87.7 | Confident | 17 Ų | 17 | 29.7 Ų | 29.7 | 9% | 0.087 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.5 | -67.7 | 165.7 | 0 | 0 | 0 | 111.1 | Y1099 L1102 F1103 L1186 K1188 A1192 | Y1099-I1190 HydrophobicContact CE2-CG2 4.24Å; L1102-I1190 HydrophobicContact CB-CD1 4.36Å; L1102-I1190 HydrophobicContact CD1-CG2 4.41Å; F1103-I1190 HydrophobicContact CD2-CD1 3.54Å; F1103-I1190 HydrophobicContact CE2-CD1 3.39Å; F1103-I1190 HydrophobicContact CG-CD1 4.19Å; F1103-I1190 HydrophobicContact CZ-CD1 3.96Å; L1186-I1190 HydrophobicContact CD1-CD1 4.37Å; L1186-I1190 HydrophobicContact CG-CD1 4.19Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.39Å; L1186-I1190 PolarHBondContact O-N 2.79Å; K1188-I1190 VanDerWaalsContact C-N 3.31Å; K1188-I1190 PolarHBondContact O-N 3.41Å; I1190-A1192 VanDerWaalsContact C-N 3.25Å; I1190-A1192 PolarHBondContact O-N 3.49Å |
| 1191 | N | 85.2 | Confident | 88.2 | Confident | 82 Ų | 82 | 26.1 Ų | 26.1 | 44% | 0.439 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -75 | -13.5 | 177.9 | -71.9 | -60.4 | 0 | 0 | 0 | 113.8 | Y1099 A1187 K1188 | Y1099-N1191 PolarHBondContact OH-ND2 3.3Å; A1187-N1191 PolarHBondContact O-N 3.14Å; A1187-N1191 VanDerWaalsContact O-N 3.15Å; A1187-N1191 PolarHBondContact O-ND2 3.06Å; K1188-N1191 CarbonylContact O-C 3.54Å; K1188-N1191 PolarHBondContact O-N 2.83Å |
| 1192 | A | 88.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1060 D1061 Q1064 K1188 I1189 I1190 | V1060-A1192 HydrophobicContact CG1-CB 4.05Å; D1061-A1192 PolarHBondContact N-O 2.92Å; Q1064-A1192 HydrophobicContact CB-CB 3.52Å; Q1064-A1192 HydrophobicContact CG-CB 4.27Å; K1188-A1192 HydrophobicContact CD-CB 4.41Å; K1188-A1192 WeakPolarHBondContact O-CB 3.32Å; K1188-A1192 PolarHBondContact O-N 2.96Å; I1189-A1192 PolarHBondContact O-N 3.34Å; I1190-A1192 VanDerWaalsContact C-N 3.25Å; I1190-A1192 PolarHBondContact O-N 3.49Å |
| 1193 | Q | 87.4 | Confident | 88.9 | Confident | 91 Ų | 91 | 28.1 Ų | 28.1 | 43% | 0.425 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -61.6 | 139.4 | 176.7 | -69.6 | -175 | -7.1 | 0 | 0 | 110.7 | G1059 I1189 | G1059-Q1193 WeakPolarHBondContact O-CA 3.16Å; I1189-Q1193 WeakPolarHBondContact O-CG 3.13Å; I1189-Q1193 PolarHBondContact O-N 3.43Å |
| 1194 | A | 90.4 | Very high | 89.4 | Confident | 12 Ų | 12 | 24 Ų | 24 | 10% | 0.099 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -65 | 129.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1037 Y1055 G1059 D1061 | I1037-A1194 HydrophobicContact CD1-CB 3.37Å; Y1055-A1194 HydrophobicContact CD1-CB 4.1Å; G1059-A1194 PolarHBondContact O-N 3.46Å; D1061-A1194 HydrophobicContact CB-CB 4.33Å |
| 1195 | P | 90.7 | Very high | 89.7 | Confident | 70 Ų | 70 | 24 Ų | 24 | 46% | 0.455 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 145.6 | -174.7 | 26.4 | -31.4 | 0 | 0 | 0 | 111.7 | D1198 | P1195-D1198 HydrophobicContact CG-CB 4.23Å; P1195-D1198 WeakPolarHBondContact O-CB 3.48Å; P1195-D1198 PolarHBondContact O-N 3.45Å |
| 1196 | P | 92 | Very high | 90 | Very high | 53 Ų | 53 | 25.2 Ų | 25.2 | 34% | 0.344 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 140.3 | 170.3 | -23.7 | 33.9 | 0 | 0 | 0 | 111.9 | Y1039 | Y1039-P1196 HydrophobicContact CD1-CB 3.85Å; Y1039-P1196 HydrophobicContact CD1-CG 3.82Å; Y1039-P1196 HydrophobicContact CD2-CB 4.36Å; Y1039-P1196 HydrophobicContact CE1-CB 4Å; Y1039-P1196 HydrophobicContact CE1-CG 4.12Å; Y1039-P1196 HydrophobicContact CG-CB 4.04Å; Y1039-P1196 HydrophobicContact CG-CG 4.36Å |
| 1197 | G | 90.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -10.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1037 G1763 | I1037-G1197 PolarHBondContact O-N 3.13Å; G1197-G1763 PolarHBondContact O-N 3.05Å |
| 1198 | D | 91.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 24.6 Ų | 24.6 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | trans | -63 | 127.7 | -179 | -159.3 | 38.2 | 0 | 0 | 0 | 110.8 | S1036 I1037 P1195 V1200 | S1036-D1198 WeakPolarHBondContact CA-O 3.15Å; I1037-D1198 HydrophobicContact CD1-CB 4.47Å; I1037-D1198 PolarHBondContact N-O 3.49Å; P1195-D1198 HydrophobicContact CG-CB 4.23Å; P1195-D1198 WeakPolarHBondContact O-CB 3.48Å; P1195-D1198 PolarHBondContact O-N 3.45Å; D1198-V1200 PolarHBondContact O-N 3.32Å | ||
| 1199 | P | 92.6 | Very high | 90.6 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 25% | 0.247 | 14% | 0.139 | C | C | . | . | trans | -79.4 | 68.1 | -175.8 | 33.1 | -36.9 | 0 | 0 | 0 | 111.1 | G1201 L1202 L1203 | P1199-G1201 PolarHBondContact O-N 3.21Å; P1199-L1202 HydrophobicContact CB-CB 4.26Å; P1199-L1202 WeakPolarHBondContact O-CB 3.46Å; P1199-L1202 PolarHBondContact O-N 3.14Å; P1199-L1202 VanDerWaalsContact O-N 3.13Å; P1199-L1203 PolarHBondContact O-N 3.27Å | ||
| 1200 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.9 | -29.3 | -175.2 | -70.3 | 0 | 0 | 0 | 0 | 113.8 | L1035 I1037 V1043 Y1055 D1198 L1203 A1204 L1696 | L1035-V1200 PolarHBondContact O-N 3.29Å; I1037-V1200 HydrophobicContact CD1-CG1 3.62Å; I1037-V1200 HydrophobicContact CG1-CG1 3.82Å; I1037-V1200 HydrophobicContact CG1-CG2 4.05Å; V1043-V1200 HydrophobicContact CG1-CG2 3.8Å; V1043-V1200 HydrophobicContact CG2-CG2 4.2Å; Y1055-V1200 HydrophobicContact CD1-CG1 4.44Å; Y1055-V1200 HydrophobicContact CD2-CB 3.91Å; Y1055-V1200 HydrophobicContact CD2-CG1 3.82Å; Y1055-V1200 HydrophobicContact CD2-CG2 4.09Å; Y1055-V1200 HydrophobicContact CE1-CG1 4.35Å; Y1055-V1200 HydrophobicContact CE2-CB 3.68Å; Y1055-V1200 HydrophobicContact CE2-CG1 3.73Å; Y1055-V1200 HydrophobicContact CE2-CG2 4.31Å; Y1055-V1200 HydrophobicContact CG-CG1 4.18Å; D1198-V1200 PolarHBondContact O-N 3.32Å; V1200-L1203 PolarHBondContact O-N 3.33Å; V1200-A1204 WeakPolarHBondContact O-CB 3.43Å; V1200-A1204 PolarHBondContact O-N 3.47Å; V1200-L1696 HydrophobicContact CB-CD2 4.12Å; V1200-L1696 HydrophobicContact CG2-CD2 3.89Å |
| 1201 | G | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.6 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1032 L1035 P1199 A1204 A1205 | L1032-G1201 WeakPolarHBondContact CB-O 3.12Å; L1032-G1201 CarbonylContact O-C 3.6Å; L1032-G1201 VanDerWaalsContact O-CA 3.3Å; L1032-G1201 WeakPolarHBondContact O-CA 3.42Å; L1035-G1201 PolarHBondContact O-N 2.94Å; P1199-G1201 PolarHBondContact O-N 3.21Å; G1201-A1204 PolarHBondContact O-N 2.87Å; G1201-A1205 WeakPolarHBondContact O-CB 3.45Å; G1201-A1205 PolarHBondContact O-N 3.45Å |
| 1202 | L | 93.5 | Very high | 90.6 | Very high | 51 Ų | 51 | 19.6 Ų | 19.6 | 27% | 0.267 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 173.7 | -178.1 | 65.3 | 0 | 0 | 0 | 111.2 | I1029 P1199 A1205 Q1206 | I1029-L1202 HydrophobicContact CB-CD1 4.47Å; I1029-L1202 HydrophobicContact CD1-CD1 4.45Å; I1029-L1202 HydrophobicContact CG1-CD1 4.09Å; I1029-L1202 HydrophobicContact CG2-CD1 3.75Å; P1199-L1202 HydrophobicContact CB-CB 4.26Å; P1199-L1202 WeakPolarHBondContact O-CB 3.46Å; P1199-L1202 PolarHBondContact O-N 3.14Å; P1199-L1202 VanDerWaalsContact O-N 3.13Å; L1202-A1205 PolarHBondContact O-N 3.13Å; L1202-Q1206 VanDerWaalsContact O-CG 3.32Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.3Å; L1202-Q1206 PolarHBondContact O-N 3.32Å |
| 1203 | L | 93.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 6% | 0.063 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 177.1 | -63.5 | 178 | 0 | 0 | 0 | 112 | P646 P1199 V1200 Q1206 S1207 | P646-L1203 HydrophobicContact CB-CD2 4.1Å; P646-L1203 HydrophobicContact CG-CD2 4.2Å; P1199-L1203 PolarHBondContact O-N 3.27Å; V1200-L1203 PolarHBondContact O-N 3.33Å; L1203-Q1206 PolarHBondContact O-N 2.85Å; L1203-S1207 VanDerWaalsContact O-CB 3.31Å; L1203-S1207 WeakPolarHBondContact O-CB 3.43Å; L1203-S1207 PolarHBondContact O-N 3.47Å; L1203-S1207 PolarHBondContact O-OG 3.35Å |
| 1204 | A | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1200 G1201 S1207 V1208 H1693 L1696 I1697 | V1200-A1204 WeakPolarHBondContact O-CB 3.43Å; V1200-A1204 PolarHBondContact O-N 3.47Å; G1201-A1204 PolarHBondContact O-N 2.87Å; A1204-S1207 PolarHBondContact O-N 2.48Å; A1204-V1208 PolarHBondContact O-N 2.93Å; A1204-H1693 HydrophobicContact CB-CB 3.92Å; A1204-L1696 HydrophobicContact CB-CD2 4.14Å; A1204-I1697 HydrophobicContact CB-CD1 4.29Å; A1204-I1697 HydrophobicContact CB-CG1 4.22Å |
| 1205 | A | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | A1028 I1029 L1032 G1201 L1202 S1207 V1208 G1209 | A1028-A1205 HydrophobicContact CB-CB 4.06Å; I1029-A1205 HydrophobicContact CB-CB 4.48Å; I1029-A1205 HydrophobicContact CG1-CB 3.76Å; L1032-A1205 HydrophobicContact CD1-CB 4.15Å; G1201-A1205 WeakPolarHBondContact O-CB 3.45Å; G1201-A1205 PolarHBondContact O-N 3.45Å; L1202-A1205 PolarHBondContact O-N 3.13Å; A1205-S1207 VanDerWaalsContact C-N 3.31Å; A1205-S1207 PolarHBondContact O-N 3.32Å; A1205-V1208 PolarHBondContact O-N 3.05Å; A1205-G1209 PolarHBondContact O-N 3.28Å |
| 1206 | Q | 93.3 | Very high | 87.8 | Confident | 26 Ų | 26 | 15.1 Ų | 15.1 | 12% | 0.121 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 176.4 | -71.5 | 176.3 | 5.9 | 0 | 0 | 112.2 | L1202 L1203 V1208 G1209 E1210 | L1202-Q1206 VanDerWaalsContact O-CG 3.32Å; L1202-Q1206 WeakPolarHBondContact O-CG 3.3Å; L1202-Q1206 PolarHBondContact O-N 3.32Å; L1203-Q1206 PolarHBondContact O-N 2.85Å; Q1206-V1208 PolarHBondContact O-N 2.87Å; Q1206-G1209 PolarHBondContact O-N 3.06Å; Q1206-E1210 WeakPolarHBondContact O-CB 3.49Å; Q1206-E1210 PolarHBondContact O-N 2.93Å |
| 1207 | S | 92.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 15.8 Ų | 15.8 | 3% | 0.028 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.1 | -15.7 | -179.9 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | K647 L1203 A1204 A1205 P1211 H1693 | K647-S1207 WeakPolarHBondContact CA-OG 3.38Å; L1203-S1207 VanDerWaalsContact O-CB 3.31Å; L1203-S1207 WeakPolarHBondContact O-CB 3.43Å; L1203-S1207 PolarHBondContact O-N 3.47Å; L1203-S1207 PolarHBondContact O-OG 3.35Å; A1204-S1207 PolarHBondContact O-N 2.48Å; A1205-S1207 VanDerWaalsContact C-N 3.31Å; A1205-S1207 PolarHBondContact O-N 3.32Å; S1207-P1211 VanDerWaalsContact O-CD 3.31Å; S1207-P1211 WeakPolarHBondContact O-CD 3.28Å; S1207-P1211 WeakPolarHBondContact O-CG 3.33Å; S1207-H1693 PolarHBondContact OG-CD2 3.37Å; S1207-H1693 PolarHBondContact OG-NE2 3.29Å |
| 1208 | V | 90.4 | Very high | 85.3 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.024 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -99.7 | -38.8 | 171 | 173 | 0 | 0 | 0 | 0 | 110.9 | A1204 A1205 Q1206 S1212 L1241 F1682 L1694 I1697 | A1204-V1208 PolarHBondContact O-N 2.93Å; A1205-V1208 PolarHBondContact O-N 3.05Å; Q1206-V1208 PolarHBondContact O-N 2.87Å; V1208-S1212 WeakPolarHBondContact O-CB 3.47Å; V1208-S1212 PolarHBondContact O-N 3.38Å; V1208-S1212 PolarHBondContact O-OG 2.9Å; V1208-L1241 HydrophobicContact CG1-CD1 3.86Å; V1208-F1682 HydrophobicContact CB-CZ 4.37Å; V1208-F1682 HydrophobicContact CG1-CE2 4.2Å; V1208-F1682 HydrophobicContact CG1-CZ 3.87Å; V1208-F1682 HydrophobicContact CG2-CE2 4.35Å; V1208-L1694 HydrophobicContact CG2-CD2 4.13Å; V1208-I1697 HydrophobicContact CB-CD1 4.38Å; V1208-I1697 HydrophobicContact CG2-CD1 3.46Å; V1208-I1697 VanDerWaalsContact CG2-CD1 3.46Å |
| 1209 | G | 86.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.1 | -54.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1205 Q1206 S1212 T1213 | A1205-G1209 PolarHBondContact O-N 3.28Å; Q1206-G1209 PolarHBondContact O-N 3.06Å; G1209-S1212 WeakPolarHBondContact O-CB 3.45Å; G1209-S1212 PolarHBondContact O-N 3.46Å; G1209-S1212 VanDerWaalsContact O-N 3.11Å; G1209-S1212 PolarHBondContact O-OG 3.23Å; G1209-T1213 PolarHBondContact O-N 3.41Å |
| 1210 | E | 84.9 | Confident | 82 | Confident | 17 Ų | 17 | 19.5 Ų | 19.5 | 8% | 0.079 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.3 | -48.2 | -178.4 | 175.3 | -100.8 | -166 | 0 | 0 | 112.7 | L579 H580 K647 Q1206 S1212 T1213 Q1214 | L579-E1210 HydrophobicContact CB-CB 4.21Å; L579-E1210 HydrophobicContact CB-CG 4.25Å; H580-E1210 HydrophobicContact CB-CB 4.33Å; H580-E1210 IonicContact CD2-OE1 2.85Å; K647-E1210 IonicContact NZ-OE2 2.84Å; Q1206-E1210 WeakPolarHBondContact O-CB 3.49Å; Q1206-E1210 PolarHBondContact O-N 2.93Å; E1210-S1212 VanDerWaalsContact C-N 3.26Å; E1210-S1212 PolarHBondContact O-N 3.48Å; E1210-T1213 PolarHBondContact O-N 3.05Å; E1210-T1213 PolarHBondContact O-OG1 3.31Å; E1210-Q1214 PolarHBondContact O-N 2.64Å; E1210-Q1214 PolarHBondContact OE1-NE2 2.96Å |
| 1211 | P | 86.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.3 | -26.8 | 179.9 | -17.4 | 29.8 | 0 | 0 | 0 | 113.1 | K647 S1207 T1213 Q1214 M1215 F1682 I1687 V1689 | K647-P1211 HydrophobicContact CD-CG 3.81Å; S1207-P1211 VanDerWaalsContact O-CD 3.31Å; S1207-P1211 WeakPolarHBondContact O-CD 3.28Å; S1207-P1211 WeakPolarHBondContact O-CG 3.33Å; P1211-T1213 VanDerWaalsContact C-N 3.31Å; P1211-T1213 PolarHBondContact O-N 2.92Å; P1211-Q1214 CarbonylContact O-C 3.57Å; P1211-Q1214 WeakPolarHBondContact O-CB 3.41Å; P1211-Q1214 PolarHBondContact O-N 2.94Å; P1211-M1215 WeakPolarHBondContact O-CG 3.24Å; P1211-M1215 PolarHBondContact O-N 3.49Å; P1211-F1682 HydrophobicContact CB-CD1 4.27Å; P1211-F1682 HydrophobicContact CB-CE1 3.96Å; P1211-I1687 HydrophobicContact CB-CD1 4.05Å; P1211-I1687 HydrophobicContact CB-CG2 3.58Å; P1211-I1687 HydrophobicContact CG-CG2 4.21Å; P1211-V1689 HydrophobicContact CG-CG2 4.45Å |
| 1212 | S | 84.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 175.8 | 74 | 0 | 0 | 0 | 0 | 112.2 | V1208 G1209 E1210 M1215 T1216 | V1208-S1212 WeakPolarHBondContact O-CB 3.47Å; V1208-S1212 PolarHBondContact O-N 3.38Å; V1208-S1212 PolarHBondContact O-OG 2.9Å; G1209-S1212 WeakPolarHBondContact O-CB 3.45Å; G1209-S1212 PolarHBondContact O-N 3.46Å; G1209-S1212 VanDerWaalsContact O-N 3.11Å; G1209-S1212 PolarHBondContact O-OG 3.23Å; E1210-S1212 VanDerWaalsContact C-N 3.26Å; E1210-S1212 PolarHBondContact O-N 3.48Å; S1212-M1215 PolarHBondContact O-N 3.19Å; S1212-T1216 PolarHBondContact O-N 3.29Å |
| 1213 | T | 76.4 | Confident | 76.4 | Confident | 13 Ų | 13 | 27.1 Ų | 27.1 | 8% | 0.08 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | 170.6 | 69.9 | 0 | 0 | 0 | 0 | 111.4 | L579 S1021 G1209 E1210 P1211 M1215 T1216 L1217 | L579-T1213 HydrophobicContact CD1-CG2 4.13Å; L579-T1213 VanDerWaalsContact CD1-OG1 3.32Å; L579-T1213 WeakPolarHBondContact CD1-OG1 3.4Å; L579-T1213 HydrophobicContact CD2-CG2 3.86Å; S1021-T1213 WeakPolarHBondContact OG-CG2 3.37Å; G1209-T1213 PolarHBondContact O-N 3.41Å; E1210-T1213 PolarHBondContact O-N 3.05Å; E1210-T1213 PolarHBondContact O-OG1 3.31Å; P1211-T1213 VanDerWaalsContact C-N 3.31Å; P1211-T1213 PolarHBondContact O-N 2.92Å; T1213-M1215 VanDerWaalsContact C-N 3.32Å; T1213-M1215 PolarHBondContact O-N 2.84Å; T1213-T1216 WeakPolarHBondContact O-CB 3.4Å; T1213-T1216 PolarHBondContact O-N 3.04Å; T1213-T1216 VanDerWaalsContact O-N 3.15Å; T1213-L1217 WeakPolarHBondContact O-CG 3.49Å; T1213-L1217 PolarHBondContact O-N 2.93Å |
| 1214 | Q | 74.7 | Confident | 74.3 | Confident | 63 Ų | 63 | 27.9 Ų | 27.9 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 176.1 | -70.2 | -179.1 | -6.2 | 0 | 0 | 112.5 | E1210 P1211 T1216 L1217 N1218 | E1210-Q1214 PolarHBondContact O-N 2.64Å; E1210-Q1214 PolarHBondContact OE1-NE2 2.96Å; P1211-Q1214 CarbonylContact O-C 3.57Å; P1211-Q1214 WeakPolarHBondContact O-CB 3.41Å; P1211-Q1214 PolarHBondContact O-N 2.94Å; Q1214-T1216 VanDerWaalsContact C-N 3.25Å; Q1214-T1216 PolarHBondContact O-N 3.02Å; Q1214-L1217 PolarHBondContact O-N 3.41Å; Q1214-N1218 WeakPolarHBondContact O-CB 3.36Å; Q1214-N1218 PolarHBondContact O-N 3.09Å; Q1214-N1218 PolarHBondContact O-ND2 2.96Å; Q1214-N1218 VanDerWaalsContact O-ND2 3.13Å |
| 1215 | M | 75.8 | Confident | 72.3 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 173.3 | -71.5 | 163.8 | 66.6 | 0 | 0 | 110.9 | P1211 S1212 T1213 T1219 I1234 L1237 V1681 F1682 Y1685 I1687 | P1211-M1215 WeakPolarHBondContact O-CG 3.24Å; P1211-M1215 PolarHBondContact O-N 3.49Å; S1212-M1215 PolarHBondContact O-N 3.19Å; T1213-M1215 VanDerWaalsContact C-N 3.32Å; T1213-M1215 PolarHBondContact O-N 2.84Å; M1215-T1219 PolarHBondContact O-N 3.24Å; M1215-T1219 PolarHBondContact O-OG1 3.47Å; M1215-I1234 HydrophobicContact CB-CD1 4.46Å; M1215-I1234 HydrophobicContact CE-CG1 4.29Å; M1215-L1237 HydrophobicContact CE-CD1 4.11Å; M1215-L1237 HydrophobicContact SD-CD1 4.13Å; M1215-V1681 HydrophobicContact CE-CG1 3.86Å; M1215-F1682 HydrophobicContact SD-CD1 3.79Å; M1215-F1682 HydrophobicContact SD-CE1 3.75Å; M1215-Y1685 HydrophobicContact CB-CD1 4.37Å; M1215-Y1685 HydrophobicContact CB-CE1 4.41Å; M1215-Y1685 HydrophobicContact CE-CD2 3.5Å; M1215-Y1685 HydrophobicContact CE-CE1 4.46Å; M1215-Y1685 HydrophobicContact CE-CE2 3.24Å; M1215-Y1685 HydrophobicContact CE-CG 4.26Å; M1215-Y1685 HydrophobicContact CG-CD1 4.06Å; M1215-Y1685 HydrophobicContact CG-CD2 4.03Å; M1215-Y1685 HydrophobicContact CG-CE1 4.44Å; M1215-Y1685 HydrophobicContact CG-CE2 4.46Å; M1215-Y1685 HydrophobicContact CG-CG 3.84Å; M1215-Y1685 HydrophobicContact SD-CD2 4.19Å; M1215-Y1685 HydrophobicContact SD-CE2 4.47Å; M1215-I1687 HydrophobicContact CG-CD1 3.62Å; M1215-I1687 HydrophobicContact SD-CD1 4.46Å |
| 1216 | T | 70.7 | Confident | 69.9 | Low | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -52.7 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | K1017 T1018 S1212 T1213 Q1214 N1218 T1219 I1234 | K1017-T1216 HydrophobicContact CB-CG2 3.48Å; K1017-T1216 VanDerWaalsContact CB-CG2 3.48Å; T1018-T1216 HydrophobicContact CG2-CG2 3.86Å; S1212-T1216 PolarHBondContact O-N 3.29Å; T1213-T1216 WeakPolarHBondContact O-CB 3.4Å; T1213-T1216 PolarHBondContact O-N 3.04Å; T1213-T1216 VanDerWaalsContact O-N 3.15Å; Q1214-T1216 VanDerWaalsContact C-N 3.25Å; Q1214-T1216 PolarHBondContact O-N 3.02Å; T1216-N1218 VanDerWaalsContact C-N 3.3Å; T1216-N1218 PolarHBondContact O-N 3.02Å; T1216-T1219 WeakPolarHBondContact O-CB 3.41Å; T1216-T1219 PolarHBondContact O-N 2.85Å; T1216-T1219 VanDerWaalsContact O-N 3.08Å; T1216-T1219 PolarHBondContact O-OG1 2.96Å; T1216-I1234 WeakPolarHBondContact OG1-CD1 3.18Å |
| 1217 | L | 66.4 | Low | 67.7 | Low | 68 Ų | 68 | 39.4 Ų | 39.4 | 36% | 0.356 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.1 | -37.6 | -177.2 | -67.3 | 170.4 | 0 | 0 | 0 | 112.2 | T1014 T1213 Q1214 T1219 F1220 | T1014-L1217 HydrophobicContact CG2-CD2 4.11Å; T1213-L1217 WeakPolarHBondContact O-CG 3.49Å; T1213-L1217 PolarHBondContact O-N 2.93Å; Q1214-L1217 PolarHBondContact O-N 3.41Å; L1217-T1219 PolarHBondContact O-N 3.43Å; L1217-F1220 WeakPolarHBondContact O-CB 3.46Å; L1217-F1220 PolarHBondContact O-N 2.97Å |
| 1218 | N | 63.4 | Low | 65.4 | Low | 45 Ų | 45 | 42.1 Ų | 42.1 | 24% | 0.241 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.1 | -18.4 | 178.4 | -74.8 | -26.7 | 0 | 0 | 0 | 112.7 | Q1214 T1216 F1220 H1221 F1222 | Q1214-N1218 WeakPolarHBondContact O-CB 3.36Å; Q1214-N1218 PolarHBondContact O-N 3.09Å; Q1214-N1218 PolarHBondContact O-ND2 2.96Å; Q1214-N1218 VanDerWaalsContact O-ND2 3.13Å; T1216-N1218 VanDerWaalsContact C-N 3.3Å; T1216-N1218 PolarHBondContact O-N 3.02Å; N1218-F1220 PolarHBondContact O-N 3.43Å; N1218-H1221 PolarHBondContact O-N 3.32Å; N1218-F1222 HydrophobicContact CB-CD2 3.81Å; N1218-F1222 HydrophobicContact CB-CE2 3.72Å; N1218-F1222 WeakPolarHBondContact O-CD2 3.39Å; N1218-F1222 PolarHBondContact O-N 3.29Å |
| 1219 | T | 60.3 | Low | 63.2 | Low | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -54.2 | -39.4 | 171.7 | -40.5 | 0 | 0 | 0 | 0 | 111.3 | D1013 M1215 T1216 L1217 F1222 A1223 V1230 | D1013-T1219 HydrophobicContact CB-CG2 3.75Å; D1013-T1219 WeakPolarHBondContact OD2-CG2 3.3Å; M1215-T1219 PolarHBondContact O-N 3.24Å; M1215-T1219 PolarHBondContact O-OG1 3.47Å; T1216-T1219 WeakPolarHBondContact O-CB 3.41Å; T1216-T1219 PolarHBondContact O-N 2.85Å; T1216-T1219 VanDerWaalsContact O-N 3.08Å; T1216-T1219 PolarHBondContact O-OG1 2.96Å; L1217-T1219 PolarHBondContact O-N 3.43Å; T1219-F1222 CarbonylContact O-C 3.55Å; T1219-F1222 PolarHBondContact O-N 2.99Å; T1219-A1223 WeakPolarHBondContact O-CB 3.38Å; T1219-A1223 PolarHBondContact O-N 3.04Å; T1219-V1230 HydrophobicContact CG2-CB 3.97Å; T1219-V1230 HydrophobicContact CG2-CG1 3.4Å; T1219-V1230 WeakPolarHBondContact OG1-CG1 3.41Å |
| 1220 | F | 55.7 | Low | 61.3 | Low | 94 Ų | 94 | 47.4 Ų | 47.4 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -44.4 | 175.7 | -177.8 | -101.1 | 0 | 0 | 0 | 112.3 | L1011 L1217 N1218 F1222 A1223 | L1011-F1220 HydrophobicContact CD2-CD2 3.93Å; L1011-F1220 HydrophobicContact CD2-CE2 3.48Å; L1011-F1220 VanDerWaalsContact CD2-CE2 3.48Å; L1011-F1220 HydrophobicContact CD2-CZ 4.38Å; L1011-F1220 HydrophobicContact CG-CD2 4.31Å; L1011-F1220 HydrophobicContact CG-CE2 3.87Å; L1217-F1220 WeakPolarHBondContact O-CB 3.46Å; L1217-F1220 PolarHBondContact O-N 2.97Å; N1218-F1220 PolarHBondContact O-N 3.43Å; F1220-F1222 VanDerWaalsContact C-N 3.33Å; F1220-F1222 PolarHBondContact O-N 3.38Å; F1220-A1223 PolarHBondContact O-N 3.35Å |
| 1221 | H | 55.2 | Low | 59.4 | Low | 129 Ų | 129 | 49.3 Ų | 49.3 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72.4 | -24.9 | 179.7 | -67.6 | -49.3 | 0 | 0 | 0 | 113.9 | N1218 | N1218-H1221 PolarHBondContact O-N 3.32Å |
| 1222 | F | 56.6 | Low | 58.3 | Low | 48 Ų | 48 | 55 Ų | 55 | 21% | 0.211 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.2 | -6.6 | 178.2 | -65.1 | -58.7 | 0 | 0 | 0 | 113.5 | N1218 T1219 F1220 G1224 R1225 M1228 V1230 | N1218-F1222 HydrophobicContact CB-CD2 3.81Å; N1218-F1222 HydrophobicContact CB-CE2 3.72Å; N1218-F1222 WeakPolarHBondContact O-CD2 3.39Å; N1218-F1222 PolarHBondContact O-N 3.29Å; T1219-F1222 CarbonylContact O-C 3.55Å; T1219-F1222 PolarHBondContact O-N 2.99Å; F1220-F1222 VanDerWaalsContact C-N 3.33Å; F1220-F1222 PolarHBondContact O-N 3.38Å; F1222-G1224 PolarHBondContact O-N 3.23Å; F1222-R1225 WeakPolarHBondContact O-CB 3.27Å; F1222-R1225 PolarHBondContact O-N 3.49Å; F1222-M1228 HydrophobicContact CD1-SD 3.91Å; F1222-M1228 HydrophobicContact CD2-SD 4.16Å; F1222-M1228 HydrophobicContact CE1-SD 3.85Å; F1222-M1228 HydrophobicContact CE2-SD 4.09Å; F1222-M1228 HydrophobicContact CG-SD 4.09Å; F1222-M1228 HydrophobicContact CZ-SD 3.95Å; F1222-V1230 HydrophobicContact CB-CG2 4.08Å |
| 1223 | A | 50.3 | Low | 57.9 | Low | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 125.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1219 F1220 | T1219-A1223 WeakPolarHBondContact O-CB 3.38Å; T1219-A1223 PolarHBondContact O-N 3.04Å; F1220-A1223 PolarHBondContact O-N 3.35Å |
| 1224 | G | 48.2 | Very low | 57.9 | Low | 27 Ų | 27 | 55.2 Ų | 55.2 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 0.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F1222 | F1222-G1224 PolarHBondContact O-N 3.23Š|
| 1225 | R | 52 | Low | 58.2 | Low | 103 Ų | 103 | 55.6 Ų | 55.6 | 39% | 0.389 | 30% | 0.295 | S | S | . | . | trans | -102.6 | 111.3 | 167.4 | -69 | -168.4 | -174.6 | 172.7 | 6.7 | 110.7 | F1222 E1227 | F1222-R1225 WeakPolarHBondContact O-CB 3.27Å; F1222-R1225 PolarHBondContact O-N 3.49Å; R1225-E1227 PolarHBondContact O-N 3.42Å | ||
| 1226 | G | 43.3 | Very low | 58.6 | Low | 17 Ų | 17 | 56.8 Ų | 56.8 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -1.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | K902 E956 M1228 | K902-G1226 WeakPolarHBondContact CE-O 3.14Å; K902-G1226 PolarHBondContact NZ-O 2.88Å; E956-G1226 VanDerWaalsContact OE1-CA 3.23Å; E956-G1226 WeakPolarHBondContact OE1-CA 3.46Å; E956-G1226 WeakPolarHBondContact OE2-CA 3.49Å; G1226-M1228 VanDerWaalsContact C-N 3.34Å |
| 1227 | E | 48.3 | Very low | 59.4 | Low | 148 Ų | 148 | 56.8 Ų | 56.8 | 69% | 0.692 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.7 | -174.4 | -65.1 | -177.1 | 161.3 | 0 | 0 | 113 | K906 R1225 | K906-E1227 VanDerWaalsContact CE-OE1 3.26Å; K906-E1227 WeakPolarHBondContact CE-OE1 3.14Å; K906-E1227 IonicContact NZ-OE1 3.34Å; K906-E1227 PolarHBondContact NZ-OE1 2.88Å; R1225-E1227 PolarHBondContact O-N 3.42Å |
| 1228 | M | 44.5 | Very low | 60.3 | Low | 61 Ų | 61 | 55.7 Ų | 55.7 | 30% | 0.3 | 29% | 0.29 | S | S | . | . | trans | -123.7 | 107.9 | -170.5 | -65.5 | -179.1 | 135.1 | 0 | 0 | 110.4 | F1222 G1226 V1230 H1684 | F1222-M1228 HydrophobicContact CD1-SD 3.91Å; F1222-M1228 HydrophobicContact CD2-SD 4.16Å; F1222-M1228 HydrophobicContact CE1-SD 3.85Å; F1222-M1228 HydrophobicContact CE2-SD 4.09Å; F1222-M1228 HydrophobicContact CG-SD 4.09Å; F1222-M1228 HydrophobicContact CZ-SD 3.95Å; G1226-M1228 VanDerWaalsContact C-N 3.34Å; M1228-V1230 VanDerWaalsContact C-N 3.27Å; M1228-V1230 HydrophobicContact CB-CG2 4.05Å; M1228-V1230 WeakPolarHBondContact O-CG2 3.45Å; M1228-V1230 PolarHBondContact O-N 3.03Å; M1228-H1684 WeakPolarHBondContact CE-O 3.32Å | ||
| 1229 | N | 44 | Very low | 61.4 | Low | 98 Ų | 98 | 54.6 Ų | 54.6 | 52% | 0.524 | 28% | 0.284 | S | S | . | . | trans | -74.7 | 87 | 164.6 | -82 | -10.2 | 0 | 0 | 0 | 108.4 | T1231 | N1229-T1231 PolarHBondContact O-N 3Å; N1229-T1231 VanDerWaalsContact O-N 3.14Å | ||
| 1230 | V | 46.6 | Very low | 62.8 | Low | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.5 | -175.1 | 177.1 | 0 | 0 | 0 | 0 | 113.3 | T1219 F1222 M1228 Y1685 | T1219-V1230 HydrophobicContact CG2-CB 3.97Å; T1219-V1230 HydrophobicContact CG2-CG1 3.4Å; T1219-V1230 WeakPolarHBondContact OG1-CG1 3.41Å; F1222-V1230 HydrophobicContact CB-CG2 4.08Å; M1228-V1230 VanDerWaalsContact C-N 3.27Å; M1228-V1230 HydrophobicContact CB-CG2 4.05Å; M1228-V1230 WeakPolarHBondContact O-CG2 3.45Å; M1228-V1230 PolarHBondContact O-N 3.03Å; V1230-Y1685 WeakPolarHBondContact CA-OH 3.49Å; V1230-Y1685 HydrophobicContact CB-CE1 4.33Å; V1230-Y1685 HydrophobicContact CG1-CE1 3.93Å; V1230-Y1685 HydrophobicContact CG2-CE1 4.45Å; V1230-Y1685 PolarHBondContact O-OH 3.26Å |
| 1231 | T | 45.1 | Very low | 64.4 | Low | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -18.9 | -169.8 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | N1229 P1235 | N1229-T1231 PolarHBondContact O-N 3Å; N1229-T1231 VanDerWaalsContact O-N 3.14Å; T1231-P1235 WeakPolarHBondContact O-CD 3.34Å |
| 1232 | L | 63.5 | Low | 65.8 | Low | 120 Ų | 120 | 44.6 Ų | 44.6 | 63% | 0.628 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -89.9 | -14.3 | -168.7 | -65.9 | 171.2 | 0 | 0 | 0 | 114.9 | R1236 | L1232-R1236 VanDerWaalsContact O-CB 3.28Å; L1232-R1236 WeakPolarHBondContact O-CB 3.47Å; L1232-R1236 PolarHBondContact O-N 2.9Å |
| 1233 | G | 74 | Confident | 66.9 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -59.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1236 L1237 Y1685 | G1233-R1236 PolarHBondContact O-N 3.45Å; G1233-L1237 PolarHBondContact O-N 3.25Å; G1233-Y1685 PolarHBondContact N-OH 3.34Å |
| 1234 | I | 78.1 | Confident | 68.4 | Low | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -174.6 | -62.1 | 171.9 | 0 | 0 | 0 | 112.8 | R1020 M1215 T1216 R1236 L1237 R1238 | R1020-I1234 HydrophobicContact CB-CG2 4.48Å; M1215-I1234 HydrophobicContact CB-CD1 4.46Å; M1215-I1234 HydrophobicContact CE-CG1 4.29Å; T1216-I1234 WeakPolarHBondContact OG1-CD1 3.18Å; I1234-R1236 VanDerWaalsContact C-N 3.26Å; I1234-R1236 PolarHBondContact O-N 3.34Å; I1234-L1237 PolarHBondContact O-N 3.01Å; I1234-L1237 VanDerWaalsContact O-N 3.14Å; I1234-R1238 HydrophobicContact CG2-CG 4.45Å; I1234-R1238 PolarHBondContact O-N 3.24Å |
| 1235 | P | 79.5 | Confident | 69.7 | Low | 71 Ų | 71 | 45.2 Ų | 45.2 | 46% | 0.461 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -41.8 | 174.8 | -26.2 | 36 | 0 | 0 | 0 | 112.2 | T1231 R1238 E1239 | T1231-P1235 WeakPolarHBondContact O-CD 3.34Å; P1235-R1238 PolarHBondContact O-N 3.46Å; P1235-E1239 WeakPolarHBondContact O-CB 3.4Å; P1235-E1239 PolarHBondContact O-N 3.21Å |
| 1236 | R | 84.9 | Confident | 71 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 11% | 0.106 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.1 | -176.4 | 57.5 | 177.3 | 162.7 | 6.8 | 112.3 | L1232 G1233 I1234 R1238 E1239 I1240 N1656 E1677 V1681 | L1232-R1236 VanDerWaalsContact O-CB 3.28Å; L1232-R1236 WeakPolarHBondContact O-CB 3.47Å; L1232-R1236 PolarHBondContact O-N 2.9Å; G1233-R1236 PolarHBondContact O-N 3.45Å; I1234-R1236 VanDerWaalsContact C-N 3.26Å; I1234-R1236 PolarHBondContact O-N 3.34Å; R1236-R1238 VanDerWaalsContact C-N 3.35Å; R1236-R1238 PolarHBondContact O-N 3.22Å; R1236-E1239 WeakPolarHBondContact CD-OE2 3.34Å; R1236-E1239 IonicContact CZ-OE2 3.89Å; R1236-E1239 IonicContact NH1-OE2 3.68Å; R1236-E1239 PolarHBondContact NH1-OE2 3.02Å; R1236-E1239 PolarHBondContact O-N 3.4Å; R1236-I1240 HydrophobicContact CG-CD1 3.97Å; R1236-I1240 WeakPolarHBondContact O-CG1 3.39Å; R1236-I1240 PolarHBondContact O-N 3.35Å; R1236-I1240 VanDerWaalsContact O-N 3.11Å; R1236-N1656 PolarHBondContact NH2-O 3.32Å; R1236-E1677 IonicContact CZ-OE2 3.31Å; R1236-E1677 IonicContact NE-OE2 2.8Å; R1236-E1677 PolarHBondContact NE-OE2 2.87Å; R1236-E1677 IonicContact NH2-OE2 3.07Å; R1236-E1677 PolarHBondContact NH2-OE2 2.95Å; R1236-V1681 HydrophobicContact CB-CG2 4.36Å; R1236-V1681 HydrophobicContact CG-CG2 3.86Å |
| 1237 | L | 86.6 | Confident | 72.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 174.2 | -77.4 | 169.7 | 0 | 0 | 0 | 112.3 | L1024 M1215 G1233 I1234 I1240 L1241 V1678 V1681 F1682 | L1024-L1237 HydrophobicContact CD2-CB 4.41Å; M1215-L1237 HydrophobicContact CE-CD1 4.11Å; M1215-L1237 HydrophobicContact SD-CD1 4.13Å; G1233-L1237 PolarHBondContact O-N 3.25Å; I1234-L1237 PolarHBondContact O-N 3.01Å; I1234-L1237 VanDerWaalsContact O-N 3.14Å; L1237-I1240 PolarHBondContact O-N 3.06Å; L1237-L1241 HydrophobicContact CD2-CD1 4.24Å; L1237-L1241 VanDerWaalsContact O-CB 3.29Å; L1237-L1241 WeakPolarHBondContact O-CB 3.29Å; L1237-L1241 PolarHBondContact O-N 2.92Å; L1237-V1678 HydrophobicContact CD2-CG1 4.15Å; L1237-V1681 HydrophobicContact CD1-CG1 3.93Å; L1237-V1681 HydrophobicContact CD2-CB 4.19Å; L1237-V1681 HydrophobicContact CD2-CG1 4.2Å; L1237-V1681 HydrophobicContact CD2-CG2 4.49Å; L1237-V1681 HydrophobicContact CG-CB 4.26Å; L1237-V1681 HydrophobicContact CG-CG1 3.73Å; L1237-F1682 HydrophobicContact CD1-CE1 4.08Å; L1237-F1682 HydrophobicContact CD1-CZ 4.01Å; L1237-F1682 HydrophobicContact CD2-CE2 4.36Å; L1237-F1682 HydrophobicContact CD2-CZ 4.4Å |
| 1238 | R | 85.5 | Confident | 74.5 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 17% | 0.17 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.4 | -71.4 | -176.9 | 64.6 | -170.5 | -1.8 | 112 | I1234 P1235 R1236 I1240 M1242 S1243 D1464 | I1234-R1238 HydrophobicContact CG2-CG 4.45Å; I1234-R1238 PolarHBondContact O-N 3.24Å; P1235-R1238 PolarHBondContact O-N 3.46Å; R1236-R1238 VanDerWaalsContact C-N 3.35Å; R1236-R1238 PolarHBondContact O-N 3.22Å; R1238-I1240 VanDerWaalsContact C-N 3.27Å; R1238-I1240 PolarHBondContact O-N 2.83Å; R1238-M1242 HydrophobicContact CB-SD 4.32Å; R1238-M1242 HydrophobicContact CG-SD 3.85Å; R1238-M1242 WeakPolarHBondContact O-CA 3.45Å; R1238-M1242 WeakPolarHBondContact O-CB 3.4Å; R1238-M1242 PolarHBondContact O-N 3.23Å; R1238-S1243 PolarHBondContact O-N 3.41Å; R1238-D1464 IonicContact CZ-OD1 3.6Å; R1238-D1464 IonicContact NH1-OD1 3.65Å; R1238-D1464 IonicContact NH2-OD1 3.73Å; R1238-D1464 PolarHBondContact NH2-OD1 3.48Å |
| 1239 | E | 86.1 | Confident | 76.1 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -57.4 | -41.5 | 176.9 | -171.6 | 179.3 | -135.2 | 0 | 0 | 111.5 | P1235 R1236 G1244 I1248 S1249 | P1235-E1239 WeakPolarHBondContact O-CB 3.4Å; P1235-E1239 PolarHBondContact O-N 3.21Å; R1236-E1239 WeakPolarHBondContact CD-OE2 3.34Å; R1236-E1239 IonicContact CZ-OE2 3.89Å; R1236-E1239 IonicContact NH1-OE2 3.68Å; R1236-E1239 PolarHBondContact NH1-OE2 3.02Å; R1236-E1239 PolarHBondContact O-N 3.4Å; E1239-G1244 PolarHBondContact O-N 3.16Å; E1239-I1248 HydrophobicContact CG-CG2 4.35Å; E1239-I1248 WeakPolarHBondContact OE1-CA 3.45Å; E1239-S1249 PolarHBondContact OE1-N 3.41Å; E1239-S1249 PolarHBondContact OE1-OG 3.26Å |
| 1240 | I | 89.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -79.4 | -46.3 | 178.3 | -63.2 | 165.7 | 0 | 0 | 0 | 112.7 | R1236 L1237 R1238 I1658 L1674 E1677 V1678 Y1707 | R1236-I1240 HydrophobicContact CG-CD1 3.97Å; R1236-I1240 WeakPolarHBondContact O-CG1 3.39Å; R1236-I1240 PolarHBondContact O-N 3.35Å; R1236-I1240 VanDerWaalsContact O-N 3.11Å; L1237-I1240 PolarHBondContact O-N 3.06Å; R1238-I1240 VanDerWaalsContact C-N 3.27Å; R1238-I1240 PolarHBondContact O-N 2.83Å; I1240-I1658 HydrophobicContact CG1-CD1 4.45Å; I1240-I1658 HydrophobicContact CG2-CD1 3.82Å; I1240-L1674 HydrophobicContact CG2-CD1 3.27Å; I1240-E1677 HydrophobicContact CD1-CB 3.89Å; I1240-V1678 HydrophobicContact CG2-CG2 4.07Å; I1240-Y1707 VanDerWaalsContact C-OH 3.32Å; I1240-Y1707 WeakPolarHBondContact CA-OH 3.24Å; I1240-Y1707 PolarHBondContact O-OH 2.9Å |
| 1241 | L | 90 | Very high | 79.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -94.8 | -22.8 | -168.8 | -65.9 | 178.8 | 0 | 0 | 0 | 113.4 | L1024 V1208 L1237 V1678 I1697 L1701 F1710 | L1024-L1241 HydrophobicContact CD1-CB 3.98Å; L1024-L1241 HydrophobicContact CD1-CD1 4.39Å; V1208-L1241 HydrophobicContact CG1-CD1 3.86Å; L1237-L1241 HydrophobicContact CD2-CD1 4.24Å; L1237-L1241 VanDerWaalsContact O-CB 3.29Å; L1237-L1241 WeakPolarHBondContact O-CB 3.29Å; L1237-L1241 PolarHBondContact O-N 2.92Å; L1241-V1678 HydrophobicContact CD2-CG2 4.2Å; L1241-I1697 HydrophobicContact CD2-CG2 4.18Å; L1241-L1701 HydrophobicContact CD2-CD1 3.83Å; L1241-F1710 HydrophobicContact CB-CD2 4.15Å; L1241-F1710 HydrophobicContact CD2-CE2 4.25Å; L1241-F1710 VanDerWaalsContact O-CB 3.28Å; L1241-F1710 WeakPolarHBondContact O-CB 3.5Å; L1241-F1710 VanDerWaalsContact O-CD2 3.3Å; L1241-F1710 WeakPolarHBondContact O-CD2 3.08Å; L1241-F1710 PolarHBondContact O-N 3.24Å |
| 1242 | M | 84.1 | Confident | 81.6 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -114.2 | -55.7 | -173.9 | -53.5 | -173.2 | 69.9 | 0 | 0 | 112.9 | Y1023 L1024 R1238 A1709 N1711 | Y1023-M1242 HydrophobicContact CD1-CE 3.2Å; Y1023-M1242 HydrophobicContact CD1-SD 4.37Å; Y1023-M1242 HydrophobicContact CE1-CE 3.18Å; Y1023-M1242 HydrophobicContact CG-CE 4.22Å; L1024-M1242 HydrophobicContact CB-SD 3.95Å; L1024-M1242 HydrophobicContact CD1-CG 3.44Å; L1024-M1242 VanDerWaalsContact CD1-CG 3.44Å; L1024-M1242 HydrophobicContact CD1-SD 3.63Å; L1024-M1242 HydrophobicContact CG-SD 4.41Å; R1238-M1242 HydrophobicContact CB-SD 4.32Å; R1238-M1242 HydrophobicContact CG-SD 3.85Å; R1238-M1242 WeakPolarHBondContact O-CA 3.45Å; R1238-M1242 WeakPolarHBondContact O-CB 3.4Å; R1238-M1242 PolarHBondContact O-N 3.23Å; M1242-A1709 WeakPolarHBondContact O-CB 3.5Å; M1242-N1711 WeakPolarHBondContact O-CB 3.26Å; M1242-N1711 PolarHBondContact O-ND2 3.05Å |
| 1243 | S | 80.7 | Confident | 82.9 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -75.4 | -42.7 | -175.1 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | R1238 S1245 | R1238-S1243 PolarHBondContact O-N 3.41Å; S1243-S1245 VanDerWaalsContact C-N 3.31Å; S1243-S1245 WeakPolarHBondContact CB-OG 3.38Å |
| 1244 | G | 80.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 40.4 Ų | 40.4 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | trans | 63.3 | 40.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1239 S1246 | E1239-G1244 PolarHBondContact O-N 3.16Å; G1244-S1246 PolarHBondContact O-N 2.93Å | ||
| 1245 | S | 75.7 | Confident | 84.2 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | trans | -64.2 | 128.1 | -172.2 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | S1243 N1247 | S1243-S1245 VanDerWaalsContact C-N 3.31Å; S1243-S1245 WeakPolarHBondContact CB-OG 3.38Å; S1245-N1247 VanDerWaalsContact C-N 3.29Å | ||
| 1246 | S | 80 | Confident | 84.8 | Confident | 68 Ų | 68 | 36.8 Ų | 36.8 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -68 | -34.1 | 169.8 | 59.5 | 0 | 0 | 0 | 0 | 111.7 | G1244 N1657 | G1244-S1246 PolarHBondContact O-N 2.93Å; S1246-N1657 PolarHBondContact O-ND2 3.32Å |
| 1247 | N | 80.8 | Confident | 85.1 | Confident | 143 Ų | 143 | 35.8 Ų | 35.8 | 77% | 0.765 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -99.2 | 95.1 | 176.1 | -68.1 | -8.7 | 0 | 0 | 0 | 109 | S1245 | S1245-N1247 VanDerWaalsContact C-N 3.29Š|
| 1248 | I | 84.5 | Confident | 85.2 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | trans | -80.4 | 149.6 | 177 | 60.3 | 173.2 | 0 | 0 | 0 | 111.3 | E1239 T1250 P1251 N1656 N1657 | E1239-I1248 HydrophobicContact CG-CG2 4.35Å; E1239-I1248 WeakPolarHBondContact OE1-CA 3.45Å; I1248-T1250 PolarHBondContact O-N 3.33Å; I1248-P1251 HydrophobicContact CD1-CB 3.96Å; I1248-P1251 HydrophobicContact CG1-CB 3.84Å; I1248-N1656 WeakPolarHBondContact CD1-OD1 3.37Å; I1248-N1657 HydrophobicContact CD1-CB 3.77Å; I1248-N1657 HydrophobicContact CG1-CB 4.42Å | ||
| 1249 | S | 77.1 | Confident | 85.2 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 62% | 0.622 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -65.9 | -36.8 | -174.8 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | E1239 | E1239-S1249 PolarHBondContact OE1-N 3.41Å; E1239-S1249 PolarHBondContact OE1-OG 3.26Å |
| 1250 | T | 81.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -131.1 | 78.3 | -179.3 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | I1248 N1656 | I1248-T1250 PolarHBondContact O-N 3.33Å; T1250-N1656 PolarHBondContact O-ND2 3.44Å |
| 1251 | P | 85.5 | Confident | 85 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | trans | -70.2 | 132.6 | 179.2 | 27.1 | -31.5 | 0 | 0 | 0 | 112.2 | I1248 G1635 I1636 | I1248-P1251 HydrophobicContact CD1-CB 3.96Å; I1248-P1251 HydrophobicContact CG1-CB 3.84Å; P1251-G1635 PolarHBondContact O-N 2.97Å; P1251-I1636 HydrophobicContact CB-CD1 3.49Å; P1251-I1636 VanDerWaalsContact CB-CD1 3.49Å; P1251-I1636 HydrophobicContact CB-CG1 3.77Å | ||
| 1252 | C | 86.3 | Confident | 84.8 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 139.1 | -178.1 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | V1633 T1655 N1656 | C1252-V1633 CarbonylContact C-O 3.58Å; C1252-V1633 VanDerWaalsContact CA-O 3.26Å; C1252-V1633 WeakPolarHBondContact CA-O 3.46Å; C1252-T1655 WeakPolarHBondContact O-CA 3.44Å; C1252-T1655 PolarHBondContact O-OG1 3.2Å; C1252-N1656 PolarHBondContact N-OD1 3.41Å; C1252-N1656 PolarHBondContact O-N 2.89Å; C1252-N1656 VanDerWaalsContact O-N 3.14Å; C1252-N1656 PolarHBondContact O-OD1 3.2Å; C1252-N1656 VanDerWaalsContact O-OD1 3.12Å |
| 1253 | M | 89.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.2 | 169.2 | -55.5 | -177.6 | -64.7 | 0 | 0 | 110.4 | R1632 V1633 N1637 M1638 M1641 Y1654 | M1253-R1632 CarbonylContact O-C 3.43Å; M1253-R1632 WeakPolarHBondContact O-CA 3.4Å; M1253-V1633 HydrophobicContact CB-CB 4.29Å; M1253-V1633 HydrophobicContact CE-CB 4.03Å; M1253-V1633 HydrophobicContact CE-CG1 3.84Å; M1253-V1633 PolarHBondContact N-O 3.29Å; M1253-V1633 PolarHBondContact O-N 3.18Å; M1253-N1637 VanDerWaalsContact CE-N 3.29Å; M1253-M1638 HydrophobicContact SD-CG 3.72Å; M1253-M1641 HydrophobicContact CE-CG 4.01Å; M1253-Y1654 CarbonylContact C-O 3.56Å; M1253-Y1654 VanDerWaalsContact CA-O 3.28Å; M1253-Y1654 WeakPolarHBondContact CA-O 3.49Å |
| 1254 | E | 89.4 | Confident | 85.2 | Confident | 37 Ų | 37 | 59 Ų | 59 | 17% | 0.173 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.2 | 176 | -57.2 | -170.7 | 151.8 | 0 | 0 | 109.6 | M1630 F1631 R1632 Y1654 R1676 | E1254-M1630 HydrophobicContact CB-CE 3.98Å; E1254-F1631 WeakPolarHBondContact CA-O 3.44Å; E1254-R1632 HydrophobicContact CG-CG 4.23Å; E1254-R1632 IonicContact OE1-CZ 3.44Å; E1254-R1632 IonicContact OE1-NE 3.1Å; E1254-R1632 IonicContact OE1-NH1 3.75Å; E1254-Y1654 HydrophobicContact CB-CD1 4.43Å; E1254-Y1654 HydrophobicContact CG-CD1 4.42Å; E1254-Y1654 PolarHBondContact N-O 3.4Å; E1254-Y1654 PolarHBondContact O-N 3.42Å; E1254-R1676 IonicContact OE2-NH2 3.83Å |
| 1255 | V | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.4 | 177.2 | -158.7 | 0 | 0 | 0 | 0 | 110.6 | F1631 F1648 L1653 | V1255-F1631 PolarHBondContact N-O 3.1Å; V1255-F1631 WeakPolarHBondContact O-CB 3.41Å; V1255-F1631 PolarHBondContact O-N 3.17Å; V1255-F1648 HydrophobicContact CB-CB 4.47Å; V1255-F1648 HydrophobicContact CB-CD1 4.45Å; V1255-F1648 HydrophobicContact CG1-CB 3.69Å; V1255-F1648 HydrophobicContact CG1-CD1 4.49Å; V1255-F1648 HydrophobicContact CG1-CG 4.28Å; V1255-L1653 HydrophobicContact CG1-CB 4.2Å; V1255-L1653 HydrophobicContact CG2-CB 4.25Å; V1255-L1653 HydrophobicContact CG2-CD1 3.72Å; V1255-L1653 HydrophobicContact CG2-CG 3.76Å |
| 1256 | P | 91.2 | Very high | 86 | Confident | 7 Ų | 7 | 65 Ų | 65 | 5% | 0.045 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.1 | 171.9 | -19.3 | 31.8 | 0 | 0 | 0 | 111.7 | Q1628 M1630 D1649 Q1652 | P1256-Q1628 HydrophobicContact CB-CG 4.5Å; P1256-M1630 HydrophobicContact CB-SD 3.89Å; P1256-M1630 HydrophobicContact CG-CE 4.07Å; P1256-M1630 HydrophobicContact CG-SD 3.77Å; P1256-D1649 HydrophobicContact CB-CB 4.36Å; P1256-D1649 PolarHBondContact O-N 2.88Å; P1256-Q1652 HydrophobicContact CG-CB 3.74Å |
| 1257 | I | 91.4 | Very high | 86.4 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 137.2 | 172.6 | -57.9 | 164.1 | 0 | 0 | 0 | 108.1 | A1263 Q1264 I1621 W1629 F1631 V1647 F1648 | I1257-A1263 HydrophobicContact CG2-CB 3.98Å; I1257-Q1264 HydrophobicContact CG2-CG 4.47Å; I1257-I1621 HydrophobicContact CD1-CG2 4.22Å; I1257-W1629 HydrophobicContact CB-CB 4.25Å; I1257-W1629 HydrophobicContact CD1-CB 3.86Å; I1257-W1629 HydrophobicContact CG1-CB 4.49Å; I1257-W1629 PolarHBondContact N-O 3.01Å; I1257-F1631 HydrophobicContact CD1-CB 4.13Å; I1257-F1631 HydrophobicContact CD1-CD2 4.27Å; I1257-F1631 HydrophobicContact CG1-CB 4.03Å; I1257-V1647 HydrophobicContact CG2-CG1 4.33Å; I1257-F1648 HydrophobicContact CG1-CD1 4.18Å; I1257-F1648 HydrophobicContact CG1-CE1 4.16Å |
| 1258 | W | 89.3 | Confident | 86.6 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 140.9 | 174.4 | -70.4 | 114.3 | 0 | 0 | 0 | 110.8 | T1260 A1263 P1645 V1647 F1648 D1649 | W1258-T1260 PolarHBondContact O-N 3.15Å; W1258-A1263 HydrophobicContact CB-CB 3.91Å; W1258-P1645 PolarHBondContact NE1-O 3.24Å; W1258-V1647 VanDerWaalsContact CD1-C 3.47Å; W1258-V1647 VanDerWaalsContact CD1-O 3.29Å; W1258-V1647 PolarHBondContact N-O 3.29Å; W1258-F1648 PolarHBondContact NE1-O 2.66Å; W1258-D1649 HydrophobicContact CD2-CB 4.36Å; W1258-D1649 HydrophobicContact CH2-CB 4.03Å; W1258-D1649 HydrophobicContact CZ2-CB 3.79Å; W1258-D1649 HydrophobicContact CZ3-CB 4.41Å |
| 1259 | P | 85.5 | Confident | 86.7 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 66% | 0.662 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -75.7 | 36.3 | -178.5 | 33.4 | -36 | 0 | 0 | 0 | 112.6 | ||
| 1260 | T | 86.6 | Confident | 87.1 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -104 | 141.4 | 175 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | W1258 E1262 A1263 Q1264 | W1258-T1260 PolarHBondContact O-N 3.15Å; T1260-E1262 PolarHBondContact O-N 2.92Å; T1260-A1263 PolarHBondContact O-N 2.77Å; T1260-A1263 WeakPolarHBondContact OG1-CB 3.24Å; T1260-A1263 PolarHBondContact OG1-N 2.89Å; T1260-Q1264 WeakPolarHBondContact O-CG 3.48Å; T1260-Q1264 PolarHBondContact O-N 3.37Å |
| 1261 | K | 84.2 | Confident | 87.3 | Confident | 167 Ų | 167 | 55.1 Ų | 55.1 | 73% | 0.726 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.1 | -35 | 178.1 | -70 | -175 | 177.6 | -179 | 0 | 112.1 | Q1264 Q1265 | K1261-Q1264 PolarHBondContact O-N 2.85Å; K1261-Q1265 WeakPolarHBondContact O-CG 3.35Å; K1261-Q1265 PolarHBondContact O-N 3.24Å |
| 1262 | E | 87.1 | Confident | 87.2 | Confident | 149 Ų | 149 | 56.5 Ų | 56.5 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 176.7 | -65.2 | 177.8 | -173 | 0 | 0 | 111.5 | T1260 Q1264 Q1265 L1266 | T1260-E1262 PolarHBondContact O-N 2.92Å; E1262-Q1264 VanDerWaalsContact C-N 3.34Å; E1262-Q1264 PolarHBondContact O-N 3.08Å; E1262-Q1265 PolarHBondContact O-N 3.01Å; E1262-L1266 WeakPolarHBondContact O-CB 3.47Å; E1262-L1266 VanDerWaalsContact O-CG 3.25Å; E1262-L1266 WeakPolarHBondContact O-CG 3.48Å; E1262-L1266 PolarHBondContact O-N 3.41Å |
| 1263 | A | 86.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1257 W1258 T1260 Q1265 L1266 S1267 V1647 | I1257-A1263 HydrophobicContact CG2-CB 3.98Å; W1258-A1263 HydrophobicContact CB-CB 3.91Å; T1260-A1263 PolarHBondContact O-N 2.77Å; T1260-A1263 WeakPolarHBondContact OG1-CB 3.24Å; T1260-A1263 PolarHBondContact OG1-N 2.89Å; A1263-Q1265 PolarHBondContact O-N 3.08Å; A1263-L1266 PolarHBondContact O-N 2.77Å; A1263-S1267 VanDerWaalsContact O-CB 3.3Å; A1263-S1267 WeakPolarHBondContact O-CB 3.41Å; A1263-S1267 PolarHBondContact O-N 2.98Å; A1263-V1647 HydrophobicContact CB-CG1 4.26Å; A1263-V1647 WeakPolarHBondContact O-CG1 3.24Å |
| 1264 | Q | 86.4 | Confident | 86.9 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -46.8 | 176.7 | -71 | 178.3 | -12.7 | 0 | 0 | 112.2 | I1257 T1260 K1261 E1262 S1267 E1268 W1629 | I1257-Q1264 HydrophobicContact CG2-CG 4.47Å; T1260-Q1264 WeakPolarHBondContact O-CG 3.48Å; T1260-Q1264 PolarHBondContact O-N 3.37Å; K1261-Q1264 PolarHBondContact O-N 2.85Å; E1262-Q1264 VanDerWaalsContact C-N 3.34Å; E1262-Q1264 PolarHBondContact O-N 3.08Å; Q1264-S1267 PolarHBondContact O-N 3.49Å; Q1264-S1267 PolarHBondContact O-OG 3.42Å; Q1264-E1268 PolarHBondContact O-N 3Å; Q1264-W1629 HydrophobicContact CB-CE3 3.98Å; Q1264-W1629 HydrophobicContact CB-CH2 4.06Å; Q1264-W1629 HydrophobicContact CB-CZ3 3.58Å; Q1264-W1629 HydrophobicContact CG-CD2 3.98Å; Q1264-W1629 HydrophobicContact CG-CE3 3.59Å; Q1264-W1629 HydrophobicContact CG-CH2 4.08Å; Q1264-W1629 HydrophobicContact CG-CZ2 4.44Å; Q1264-W1629 HydrophobicContact CG-CZ3 3.66Å |
| 1265 | Q | 85.6 | Confident | 86.6 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 59% | 0.593 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 177.2 | -71.8 | 177.3 | -7.5 | 0 | 0 | 112.5 | K1261 E1262 A1263 S1267 E1268 Q1269 | K1261-Q1265 WeakPolarHBondContact O-CG 3.35Å; K1261-Q1265 PolarHBondContact O-N 3.24Å; E1262-Q1265 PolarHBondContact O-N 3.01Å; A1263-Q1265 PolarHBondContact O-N 3.08Å; Q1265-S1267 VanDerWaalsContact C-N 3.3Å; Q1265-S1267 PolarHBondContact O-N 3.37Å; Q1265-E1268 PolarHBondContact O-N 3.07Å; Q1265-Q1269 PolarHBondContact O-N 2.92Å |
| 1266 | L | 88.5 | Confident | 86.3 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 176.4 | -71.6 | 169.3 | 0 | 0 | 0 | 111.7 | E1262 A1263 E1268 Q1269 I1270 V1647 | E1262-L1266 WeakPolarHBondContact O-CB 3.47Å; E1262-L1266 VanDerWaalsContact O-CG 3.25Å; E1262-L1266 WeakPolarHBondContact O-CG 3.48Å; E1262-L1266 PolarHBondContact O-N 3.41Å; A1263-L1266 PolarHBondContact O-N 2.77Å; L1266-E1268 VanDerWaalsContact C-N 3.29Å; L1266-E1268 PolarHBondContact O-N 3.23Å; L1266-Q1269 WeakPolarHBondContact O-CB 3.46Å; L1266-Q1269 PolarHBondContact O-N 2.89Å; L1266-Q1269 VanDerWaalsContact O-N 3.11Å; L1266-I1270 VanDerWaalsContact O-CG1 3.29Å; L1266-I1270 WeakPolarHBondContact O-CG1 3.38Å; L1266-I1270 PolarHBondContact O-N 3.27Å; L1266-V1647 HydrophobicContact CB-CG2 3.61Å; L1266-V1647 HydrophobicContact CD1-CG2 3.94Å; L1266-V1647 HydrophobicContact CG-CG2 4.43Å |
| 1267 | S | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 177.6 | 77.6 | 0 | 0 | 0 | 0 | 112.4 | A1263 Q1264 Q1265 I1270 A1271 | A1263-S1267 VanDerWaalsContact O-CB 3.3Å; A1263-S1267 WeakPolarHBondContact O-CB 3.41Å; A1263-S1267 PolarHBondContact O-N 2.98Å; Q1264-S1267 PolarHBondContact O-N 3.49Å; Q1264-S1267 PolarHBondContact O-OG 3.42Å; Q1265-S1267 VanDerWaalsContact C-N 3.3Å; Q1265-S1267 PolarHBondContact O-N 3.37Å; S1267-I1270 PolarHBondContact O-N 3.48Å; S1267-A1271 WeakPolarHBondContact O-CB 3.41Å; S1267-A1271 PolarHBondContact O-N 3.13Å |
| 1268 | E | 85.9 | Confident | 85.7 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 36% | 0.355 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 174.3 | -66.1 | -177 | 165.5 | 0 | 0 | 111.3 | Q1264 Q1265 L1266 A1271 K1272 I1621 R1623 | Q1264-E1268 PolarHBondContact O-N 3Å; Q1265-E1268 PolarHBondContact O-N 3.07Å; L1266-E1268 VanDerWaalsContact C-N 3.29Å; L1266-E1268 PolarHBondContact O-N 3.23Å; E1268-A1271 PolarHBondContact O-N 3.47Å; E1268-K1272 WeakPolarHBondContact O-CG 3.33Å; E1268-K1272 PolarHBondContact O-N 2.9Å; E1268-K1272 VanDerWaalsContact O-N 3.15Å; E1268-I1621 HydrophobicContact CG-CD1 3.92Å; E1268-R1623 IonicContact OE1-CZ 2.81Å; E1268-R1623 IonicContact OE1-NH2 3.26Å; E1268-R1623 PolarHBondContact OE1-NH2 3.1Å |
| 1269 | Q | 84.8 | Confident | 85.6 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 174.1 | -64 | 177.2 | 6.1 | 0 | 0 | 112 | Q1265 L1266 K1272 K1273 H1315 | Q1265-Q1269 PolarHBondContact O-N 2.92Å; L1266-Q1269 WeakPolarHBondContact O-CB 3.46Å; L1266-Q1269 PolarHBondContact O-N 2.89Å; L1266-Q1269 VanDerWaalsContact O-N 3.11Å; Q1269-K1272 PolarHBondContact O-N 3.39Å; Q1269-K1273 PolarHBondContact O-N 3.3Å; Q1269-K1273 VanDerWaalsContact O-N 3.14Å; Q1269-H1315 PolarHBondContact O-NE2 3.36Å; Q1269-H1315 VanDerWaalsContact O-NE2 3.11Å |
| 1270 | I | 86.9 | Confident | 85.6 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 175.9 | -68.1 | 165.7 | 0 | 0 | 0 | 110.5 | L1266 S1267 K1272 K1273 F1274 F1631 Y1644 V1647 F1648 | L1266-I1270 VanDerWaalsContact O-CG1 3.29Å; L1266-I1270 WeakPolarHBondContact O-CG1 3.38Å; L1266-I1270 PolarHBondContact O-N 3.27Å; S1267-I1270 PolarHBondContact O-N 3.48Å; I1270-K1272 PolarHBondContact O-N 3.48Å; I1270-K1273 WeakPolarHBondContact O-CA 3.31Å; I1270-K1273 WeakPolarHBondContact O-CB 3.38Å; I1270-K1273 PolarHBondContact O-N 2.9Å; I1270-F1274 HydrophobicContact CG2-CD2 3.73Å; I1270-F1274 HydrophobicContact CG2-CE1 4.21Å; I1270-F1274 HydrophobicContact CG2-CE2 3.27Å; I1270-F1274 HydrophobicContact CG2-CG 4.34Å; I1270-F1274 HydrophobicContact CG2-CZ 3.58Å; I1270-F1274 PolarHBondContact O-N 3.01Å; I1270-F1631 HydrophobicContact CG2-CZ 4.21Å; I1270-Y1644 HydrophobicContact CD1-CD1 3.67Å; I1270-Y1644 HydrophobicContact CD1-CD2 4.28Å; I1270-Y1644 HydrophobicContact CD1-CE1 4.11Å; I1270-Y1644 HydrophobicContact CD1-CG 3.75Å; I1270-Y1644 HydrophobicContact CG1-CD1 4.22Å; I1270-Y1644 HydrophobicContact CG1-CE1 4.14Å; I1270-Y1644 HydrophobicContact CG1-CG 4.5Å; I1270-V1647 HydrophobicContact CD1-CB 4.17Å; I1270-V1647 HydrophobicContact CD1-CG1 4.16Å; I1270-V1647 HydrophobicContact CD1-CG2 3.87Å; I1270-F1648 HydrophobicContact CD1-CE2 4.03Å; I1270-F1648 HydrophobicContact CD1-CZ 4.13Å; I1270-F1648 HydrophobicContact CG2-CE2 4.29Å; I1270-F1648 HydrophobicContact CG2-CZ 4.13Å |
| 1271 | A | 85.7 | Confident | 85.4 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.4 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1267 E1268 K1273 F1274 Y1275 I1621 F1631 | S1267-A1271 WeakPolarHBondContact O-CB 3.41Å; S1267-A1271 PolarHBondContact O-N 3.13Å; E1268-A1271 PolarHBondContact O-N 3.47Å; A1271-K1273 VanDerWaalsContact C-N 3.34Å; A1271-K1273 PolarHBondContact O-N 3.46Å; A1271-F1274 PolarHBondContact O-N 2.74Å; A1271-Y1275 PolarHBondContact O-N 3.08Å; A1271-I1621 HydrophobicContact CB-CD1 4.16Å; A1271-F1631 HydrophobicContact CB-CE2 4Å; A1271-F1631 HydrophobicContact CB-CZ 4.21Å |
| 1272 | K | 83.6 | Confident | 85.4 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -32.7 | 175 | -68 | -179.2 | -173.6 | -153.6 | 0 | 113.7 | E1268 Q1269 I1270 D1312 Q1313 | E1268-K1272 WeakPolarHBondContact O-CG 3.33Å; E1268-K1272 PolarHBondContact O-N 2.9Å; E1268-K1272 VanDerWaalsContact O-N 3.15Å; Q1269-K1272 PolarHBondContact O-N 3.39Å; I1270-K1272 PolarHBondContact O-N 3.48Å; K1272-D1312 WeakPolarHBondContact CE-O 3.4Å; K1272-D1312 PolarHBondContact NZ-O 3.1Å; K1272-Q1313 VanDerWaalsContact CA-O 3.24Å; K1272-Q1313 WeakPolarHBondContact CA-O 3.43Å; K1272-Q1313 WeakPolarHBondContact CB-O 3.5Å |
| 1273 | K | 83.6 | Confident | 85.3 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 38% | 0.378 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 175.6 | -173.1 | -178.6 | 175.4 | -172.8 | 0 | 111.7 | Q1269 I1270 A1271 Y1275 Y1644 | Q1269-K1273 PolarHBondContact O-N 3.3Å; Q1269-K1273 VanDerWaalsContact O-N 3.14Å; I1270-K1273 WeakPolarHBondContact O-CA 3.31Å; I1270-K1273 WeakPolarHBondContact O-CB 3.38Å; I1270-K1273 PolarHBondContact O-N 2.9Å; A1271-K1273 VanDerWaalsContact C-N 3.34Å; A1271-K1273 PolarHBondContact O-N 3.46Å; K1273-Y1275 VanDerWaalsContact C-N 3.3Å; K1273-Y1644 PolarHBondContact NZ-OH 3.43Å |
| 1274 | F | 85.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -81.1 | -7.2 | -179 | -65.3 | -11.8 | 0 | 0 | 0 | 113.8 | I1270 A1271 K1276 V1613 I1616 T1619 F1631 E1640 M1641 Y1644 | I1270-F1274 HydrophobicContact CG2-CD2 3.73Å; I1270-F1274 HydrophobicContact CG2-CE1 4.21Å; I1270-F1274 HydrophobicContact CG2-CE2 3.27Å; I1270-F1274 HydrophobicContact CG2-CG 4.34Å; I1270-F1274 HydrophobicContact CG2-CZ 3.58Å; I1270-F1274 PolarHBondContact O-N 3.01Å; A1271-F1274 PolarHBondContact O-N 2.74Å; F1274-K1276 PolarHBondContact O-N 2.84Å; F1274-V1613 HydrophobicContact CD1-CB 4.4Å; F1274-V1613 HydrophobicContact CD1-CG2 3.54Å; F1274-V1613 HydrophobicContact CE1-CG2 4.03Å; F1274-V1613 HydrophobicContact CG-CG2 4.45Å; F1274-I1616 HydrophobicContact CB-CG2 4.41Å; F1274-I1616 HydrophobicContact CD2-CD1 4.18Å; F1274-I1616 HydrophobicContact CE2-CD1 4.38Å; F1274-I1616 HydrophobicContact CG-CD1 4.32Å; F1274-T1619 HydrophobicContact CB-CG2 3.62Å; F1274-T1619 HydrophobicContact CD2-CG2 3.91Å; F1274-T1619 HydrophobicContact CG-CG2 4.29Å; F1274-F1631 HydrophobicContact CD2-CE1 4.14Å; F1274-F1631 HydrophobicContact CD2-CZ 4.22Å; F1274-F1631 HydrophobicContact CE2-CE1 4.3Å; F1274-E1640 HydrophobicContact CE1-CG 3.77Å; F1274-E1640 HydrophobicContact CZ-CG 3.87Å; F1274-M1641 HydrophobicContact CD2-CE 4Å; F1274-M1641 HydrophobicContact CE1-CE 4.49Å; F1274-M1641 HydrophobicContact CE2-CE 3.11Å; F1274-M1641 HydrophobicContact CE2-SD 3.99Å; F1274-M1641 HydrophobicContact CZ-CE 3.4Å; F1274-M1641 VanDerWaalsContact CZ-CE 3.4Å; F1274-Y1644 HydrophobicContact CE1-CE2 4.34Å; F1274-Y1644 HydrophobicContact CZ-CD2 4.39Å; F1274-Y1644 AromaticContact CZ-CE2 3.9Å; F1274-Y1644 HydrophobicContact CZ-CE2 3.9Å |
| 1275 | Y | 83.2 | Confident | 84.8 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | trans | -63.6 | 124.5 | 176.6 | -176.2 | -98.4 | 0 | 0 | 0 | 111.7 | A1271 K1273 L1277 E1281 Q1313 | A1271-Y1275 PolarHBondContact O-N 3.08Å; K1273-Y1275 VanDerWaalsContact C-N 3.3Å; Y1275-L1277 HydrophobicContact CD1-CB 4.22Å; Y1275-L1277 HydrophobicContact CD1-CD1 4.39Å; Y1275-L1277 HydrophobicContact CE1-CB 4.34Å; Y1275-L1277 HydrophobicContact CE1-CD1 3.95Å; Y1275-L1277 PolarHBondContact O-N 3.2Å; Y1275-L1277 VanDerWaalsContact O-N 3.16Å; Y1275-E1281 WeakPolarHBondContact CE1-OE2 3.45Å; Y1275-E1281 PolarHBondContact OH-OE2 3.46Å; Y1275-Q1313 WeakPolarHBondContact CB-O 3.21Å; Y1275-Q1313 HydrophobicContact CD1-CB 4.32Å; Y1275-Q1313 HydrophobicContact CE1-CB 4.32Å; Y1275-Q1313 HydrophobicContact CG-CB 4.45Å; Y1275-Q1313 PolarHBondContact OH-OE1 2.94Å | ||
| 1276 | K | 83.7 | Confident | 84.3 | Confident | 78 Ų | 78 | 48 Ų | 48 | 34% | 0.339 | 24% | 0.236 | S | C | . | . | trans | -77.1 | 94.4 | 176.5 | -178 | 174.4 | -177 | 174.7 | 0 | 110.4 | F1274 K1278 V1609 S1611 | F1274-K1276 PolarHBondContact O-N 2.84Å; K1276-K1278 PolarHBondContact O-N 3.01Å; K1276-V1609 HydrophobicContact CG-CG1 3.81Å; K1276-S1611 CarbonylContact C-O 3.51Å; K1276-S1611 WeakPolarHBondContact CA-O 3.48Å | ||
| 1277 | L | 85 | Confident | 83.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 109.7 | -178.6 | -173.5 | 69.4 | 0 | 0 | 0 | 111 | Y1275 E1281 T1282 Y1310 V1316 V1609 V1610 S1611 | Y1275-L1277 HydrophobicContact CD1-CB 4.22Å; Y1275-L1277 HydrophobicContact CD1-CD1 4.39Å; Y1275-L1277 HydrophobicContact CE1-CB 4.34Å; Y1275-L1277 HydrophobicContact CE1-CD1 3.95Å; Y1275-L1277 PolarHBondContact O-N 3.2Å; Y1275-L1277 VanDerWaalsContact O-N 3.16Å; L1277-E1281 HydrophobicContact CD1-CB 4.12Å; L1277-T1282 HydrophobicContact CD1-CG2 4.11Å; L1277-T1282 HydrophobicContact CD2-CG2 3.53Å; L1277-T1282 HydrophobicContact CG-CG2 3.82Å; L1277-Y1310 HydrophobicContact CD2-CD2 4.4Å; L1277-V1316 HydrophobicContact CD2-CB 3.77Å; L1277-V1316 HydrophobicContact CD2-CG1 4.13Å; L1277-V1316 HydrophobicContact CD2-CG2 3.65Å; L1277-V1609 WeakPolarHBondContact O-CG1 3.4Å; L1277-V1610 HydrophobicContact CD2-CB 4.36Å; L1277-V1610 PolarHBondContact O-N 2.94Å; L1277-S1611 PolarHBondContact N-O 3.32Å |
| 1278 | K | 85.7 | Confident | 83.7 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 28% | 0.283 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 149 | 173.8 | -66.1 | -174.4 | 179.1 | -175.1 | 0 | 111.3 | K1276 S1280 E1281 | K1276-K1278 PolarHBondContact O-N 3.01Å; K1278-S1280 PolarHBondContact O-N 3.14Å; K1278-E1281 HydrophobicContact CB-CG 4.38Å; K1278-E1281 WeakPolarHBondContact O-CB 3.46Å; K1278-E1281 PolarHBondContact O-N 2.96Å; K1278-E1281 VanDerWaalsContact O-N 3.08Å |
| 1279 | L | 86.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -29.3 | 177 | -176.7 | 65.9 | 0 | 0 | 0 | 112.2 | E1281 T1282 L1283 V1321 F1324 L1325 L1329 I1605 S1608 V1610 | L1279-E1281 PolarHBondContact O-N 3.14Å; L1279-T1282 PolarHBondContact O-N 3.39Å; L1279-T1282 PolarHBondContact O-OG1 3.04Å; L1279-T1282 VanDerWaalsContact O-OG1 3.05Å; L1279-L1283 HydrophobicContact CD1-CD1 4.19Å; L1279-L1283 HydrophobicContact CD1-CG 4.28Å; L1279-L1283 HydrophobicContact CD2-CD1 4.23Å; L1279-L1283 HydrophobicContact CG-CD1 3.82Å; L1279-L1283 HydrophobicContact CG-CG 4.32Å; L1279-L1283 WeakPolarHBondContact O-CG 3.37Å; L1279-L1283 PolarHBondContact O-N 3.45Å; L1279-V1321 HydrophobicContact CD1-CG1 3.97Å; L1279-F1324 HydrophobicContact CD1-CD1 4.13Å; L1279-F1324 HydrophobicContact CD1-CE1 4.5Å; L1279-F1324 HydrophobicContact CD2-CD1 4.28Å; L1279-F1324 HydrophobicContact CD2-CE1 4.05Å; L1279-L1325 HydrophobicContact CD1-CD2 4.1Å; L1279-L1325 HydrophobicContact CD2-CD2 3.98Å; L1279-L1329 HydrophobicContact CD2-CD1 4Å; L1279-L1329 HydrophobicContact CD2-CD2 4.07Å; L1279-L1329 HydrophobicContact CD2-CG 4.49Å; L1279-I1605 HydrophobicContact CB-CG2 4.35Å; L1279-I1605 HydrophobicContact CD2-CB 4.41Å; L1279-I1605 HydrophobicContact CD2-CG1 4Å; L1279-I1605 HydrophobicContact CD2-CG2 4.33Å; L1279-I1605 HydrophobicContact CG-CG2 4.23Å; L1279-S1608 PolarHBondContact N-O 3.24Å; L1279-V1610 HydrophobicContact CB-CG2 3.97Å; L1279-V1610 HydrophobicContact CD1-CG2 3.68Å; L1279-V1610 HydrophobicContact CG-CG2 4.45Å |
| 1280 | S | 85.1 | Confident | 83.6 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -26.5 | 173.9 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | K1278 | K1278-S1280 PolarHBondContact O-N 3.14Å |
| 1281 | E | 83.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -83.2 | -22 | -179.2 | -66 | 171.4 | -158.4 | 0 | 0 | 112.3 | Y1275 L1277 K1278 L1279 | Y1275-E1281 WeakPolarHBondContact CE1-OE2 3.45Å; Y1275-E1281 PolarHBondContact OH-OE2 3.46Å; L1277-E1281 HydrophobicContact CD1-CB 4.12Å; K1278-E1281 HydrophobicContact CB-CG 4.38Å; K1278-E1281 WeakPolarHBondContact O-CB 3.46Å; K1278-E1281 PolarHBondContact O-N 2.96Å; K1278-E1281 VanDerWaalsContact O-N 3.08Å; L1279-E1281 PolarHBondContact O-N 3.14Å |
| 1282 | T | 84.3 | Confident | 83.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -95.6 | -11 | -179.6 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | L1277 L1279 Q1305 Y1310 V1321 V1610 | L1277-T1282 HydrophobicContact CD1-CG2 4.11Å; L1277-T1282 HydrophobicContact CD2-CG2 3.53Å; L1277-T1282 HydrophobicContact CG-CG2 3.82Å; L1279-T1282 PolarHBondContact O-N 3.39Å; L1279-T1282 PolarHBondContact O-OG1 3.04Å; L1279-T1282 VanDerWaalsContact O-OG1 3.05Å; T1282-Q1305 PolarHBondContact O-N 3.05Å; T1282-Y1310 HydrophobicContact CG2-CE1 4.5Å; T1282-V1321 HydrophobicContact CG2-CG2 4.11Å; T1282-V1321 WeakPolarHBondContact OG1-CG1 3.4Å; T1282-V1610 HydrophobicContact CG2-CG2 4.4Å |
| 1283 | L | 85.4 | Confident | 83 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -102.9 | 147.3 | 178.5 | -66.3 | 175.6 | 0 | 0 | 0 | 111.5 | L1279 L1285 F1302 N1303 L1304 I1605 | L1279-L1283 HydrophobicContact CD1-CD1 4.19Å; L1279-L1283 HydrophobicContact CD1-CG 4.28Å; L1279-L1283 HydrophobicContact CD2-CD1 4.23Å; L1279-L1283 HydrophobicContact CG-CD1 3.82Å; L1279-L1283 HydrophobicContact CG-CG 4.32Å; L1279-L1283 WeakPolarHBondContact O-CG 3.37Å; L1279-L1283 PolarHBondContact O-N 3.45Å; L1283-L1285 HydrophobicContact CB-CD2 4.44Å; L1283-L1285 PolarHBondContact O-N 3.45Å; L1283-F1302 HydrophobicContact CD1-CD1 4.31Å; L1283-F1302 HydrophobicContact CD2-CB 4.23Å; L1283-N1303 CarbonylContact C-O 3.56Å; L1283-N1303 WeakPolarHBondContact CA-O 3.35Å; L1283-L1304 HydrophobicContact CD2-CD2 4Å; L1283-I1605 HydrophobicContact CD1-CD1 4Å; L1283-I1605 HydrophobicContact CD1-CG1 4.25Å; L1283-I1605 HydrophobicContact CD1-CG2 4.13Å |
| 1284 | Q | 83.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 31% | 0.311 | S | S | . | . | trans | -84.2 | 104.1 | 166.7 | -172.2 | 177.5 | 6.6 | 0 | 0 | 108.4 | N1303 | Q1284-N1303 HydrophobicContact CB-CB 3.96Å; Q1284-N1303 PolarHBondContact N-O 3.32Å | ||
| 1285 | L | 77.5 | Confident | 82.2 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 32% | 0.319 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -92.2 | 145.6 | 177.3 | -62.5 | 174.8 | 0 | 0 | 0 | 110.7 | L1283 I1287 M1602 | L1283-L1285 HydrophobicContact CB-CD2 4.44Å; L1283-L1285 PolarHBondContact O-N 3.45Å; L1285-I1287 HydrophobicContact CD2-CG1 3.92Å; L1285-M1602 HydrophobicContact CD1-CE 4.38Å; L1285-M1602 HydrophobicContact CD2-CE 4.09Å; L1285-M1602 HydrophobicContact CD2-SD 3.96Å |
| 1286 | P | 74.2 | Confident | 82.1 | Confident | 100 Ų | 100 | 63.4 Ų | 63.4 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | S | Bend | cis | -73.9 | 155.8 | -1.1 | 31.6 | -35.3 | 0 | 0 | 0 | 113.1 | ||
| 1287 | I | 81.9 | Confident | 82.1 | Confident | 17 Ų | 17 | 60.3 Ų | 60.3 | 9% | 0.087 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 140.4 | 178.1 | -51.4 | 168.7 | 0 | 0 | 0 | 108.6 | L1285 Q1289 F1300 E1301 F1302 I1601 M1602 I1605 | L1285-I1287 HydrophobicContact CD2-CG1 3.92Å; I1287-Q1289 PolarHBondContact O-N 2.9Å; I1287-F1300 HydrophobicContact CG2-CB 4.38Å; I1287-E1301 WeakPolarHBondContact CG2-O 3.46Å; I1287-F1302 HydrophobicContact CD1-CD1 4.27Å; I1287-F1302 HydrophobicContact CD1-CE1 3.96Å; I1287-F1302 HydrophobicContact CG2-CD1 4.22Å; I1287-F1302 HydrophobicContact CG2-CE1 4.39Å; I1287-F1302 HydrophobicContact CG2-CG 4.42Å; I1287-I1601 HydrophobicContact CD1-CG2 3.62Å; I1287-M1602 HydrophobicContact CD1-SD 3.84Å; I1287-M1602 HydrophobicContact CG1-SD 4.2Å; I1287-I1605 HydrophobicContact CD1-CD1 3.26Å; I1287-I1605 HydrophobicContact CG1-CD1 4.21Å |
| 1288 | G | 81.7 | Confident | 82.2 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F1300 E1301 | G1288-F1300 CarbonylContact O-C 3.29Å; G1288-F1300 WeakPolarHBondContact O-CA 2.95Å; G1288-E1301 PolarHBondContact N-O 2.85Å; G1288-E1301 PolarHBondContact O-N 3.21Å |
| 1289 | Q | 85 | Confident | 82.4 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.3 | 173.6 | -171.5 | -173.8 | 2.5 | 0 | 0 | 110.2 | I1287 V1291 C1298 T1299 F1300 | I1287-Q1289 PolarHBondContact O-N 2.9Å; Q1289-V1291 HydrophobicContact CG-CG2 4.26Å; Q1289-C1298 VanDerWaalsContact CG-SG 3.54Å; Q1289-C1298 PolarHBondContact NE2-SG 3.49Å; Q1289-T1299 CarbonylContact C-O 3.6Å; Q1289-T1299 WeakPolarHBondContact CA-O 3.23Å; Q1289-F1300 HydrophobicContact CB-CE1 4.48Å; Q1289-F1300 HydrophobicContact CG-CD1 4.33Å; Q1289-F1300 HydrophobicContact CG-CE1 3.97Å; Q1289-F1300 HydrophobicContact CG-CZ 4.48Å |
| 1290 | K | 84.8 | Confident | 82.5 | Confident | 121 Ų | 121 | 58.8 Ų | 58.8 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 108.7 | 173.1 | -71 | 169.8 | 179.6 | 144.1 | 0 | 108.6 | T1299 E1301 | K1290-T1299 PolarHBondContact N-O 3.39Å; K1290-T1299 PolarHBondContact O-N 2.8Å; K1290-E1301 IonicContact NZ-OE2 2.91Å; K1290-E1301 PolarHBondContact NZ-OE2 3.32Å |
| 1291 | V | 82.1 | Confident | 82.8 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.3 | 175.2 | -177 | 0 | 0 | 0 | 0 | 108.7 | Q1289 Y1293 | Q1289-V1291 HydrophobicContact CG-CG2 4.26Å; V1291-Y1293 HydrophobicContact CG1-CD1 4.24Å; V1291-Y1293 HydrophobicContact CG1-CE1 4.01Å; V1291-Y1293 HydrophobicContact CG1-CE2 4.34Å |
| 1292 | N | 82.8 | Confident | 83.1 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 100.5 | 171.5 | -172.9 | -5.5 | 0 | 0 | 0 | 109.3 | V1294 S1295 D1296 S1297 | N1292-V1294 PolarHBondContact O-N 3.47Å; N1292-V1294 WeakPolarHBondContact OD1-CB 3.5Å; N1292-V1294 PolarHBondContact OD1-N 2.98Å; N1292-V1294 VanDerWaalsContact OD1-N 3.1Å; N1292-S1295 WeakPolarHBondContact CB-OG 3.35Å; N1292-S1295 PolarHBondContact ND2-OG 2.96Å; N1292-S1295 VanDerWaalsContact ND2-OG 3.09Å; N1292-S1295 PolarHBondContact O-N 3.14Å; N1292-D1296 PolarHBondContact O-N 3.01Å; N1292-S1297 PolarHBondContact N-O 3.25Å; N1292-S1297 PolarHBondContact O-N 2.89Å; N1292-S1297 VanDerWaalsContact O-N 3.12Å |
| 1293 | Y | 78.1 | Confident | 83.3 | Confident | 186 Ų | 186 | 58.5 Ų | 58.5 | 73% | 0.729 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -23.2 | 179.1 | -63.2 | -77.8 | 0 | 0 | 0 | 113.5 | V1291 | V1291-Y1293 HydrophobicContact CG1-CD1 4.24Å; V1291-Y1293 HydrophobicContact CG1-CE1 4.01Å; V1291-Y1293 HydrophobicContact CG1-CE2 4.34Å |
| 1294 | V | 79.1 | Confident | 83.4 | Confident | 140 Ų | 140 | 58.9 Ų | 58.9 | 85% | 0.848 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -38.7 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | N1292 | N1292-V1294 PolarHBondContact O-N 3.47Å; N1292-V1294 WeakPolarHBondContact OD1-CB 3.5Å; N1292-V1294 PolarHBondContact OD1-N 2.98Å; N1292-V1294 VanDerWaalsContact OD1-N 3.1Å |
| 1295 | S | 73.6 | Confident | 83.4 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.3 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 113.5 | N1292 S1297 | N1292-S1295 WeakPolarHBondContact CB-OG 3.35Å; N1292-S1295 PolarHBondContact ND2-OG 2.96Å; N1292-S1295 VanDerWaalsContact ND2-OG 3.09Å; N1292-S1295 PolarHBondContact O-N 3.14Å; S1295-S1297 PolarHBondContact O-N 3.29Å; S1295-S1297 VanDerWaalsContact O-N 3.11Å; S1295-S1297 PolarHBondContact OG-OG 3.3Å |
| 1296 | D | 80.4 | Confident | 83.5 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 42.5 | -171.8 | -105.7 | -27 | 0 | 0 | 0 | 111.7 | N1292 M1585 F1586 R1592 | N1292-D1296 PolarHBondContact O-N 3.01Å; D1296-M1585 WeakPolarHBondContact O-CA 3.33Å; D1296-M1585 WeakPolarHBondContact O-CB 3.24Å; D1296-M1585 WeakPolarHBondContact O-CG 3.47Å; D1296-M1585 PolarHBondContact O-N 2.93Å; D1296-F1586 HydrophobicContact CB-CB 4.12Å; D1296-R1592 IonicContact OD1-CZ 3.52Å; D1296-R1592 IonicContact OD1-NH2 3.47Å; D1296-R1592 PolarHBondContact OD1-NH2 3.43Å; D1296-R1592 IonicContact OD2-NH2 3.92Å |
| 1297 | S | 84.5 | Confident | 83.5 | Confident | 12 Ų | 12 | 57.6 Ų | 57.6 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.6 | -176.1 | 69.9 | 0 | 0 | 0 | 0 | 112.5 | N1292 S1295 I1583 | N1292-S1297 PolarHBondContact N-O 3.25Å; N1292-S1297 PolarHBondContact O-N 2.89Å; N1292-S1297 VanDerWaalsContact O-N 3.12Å; S1295-S1297 PolarHBondContact O-N 3.29Å; S1295-S1297 VanDerWaalsContact O-N 3.11Å; S1295-S1297 PolarHBondContact OG-OG 3.3Å; S1297-I1583 CarbonylContact C-O 3.46Å; S1297-I1583 WeakPolarHBondContact CA-O 3.3Å |
| 1298 | C | 86.8 | Confident | 83.4 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.8 | -179.1 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | Q1289 F1300 T1582 I1583 M1585 | Q1289-C1298 VanDerWaalsContact CG-SG 3.54Å; Q1289-C1298 PolarHBondContact NE2-SG 3.49Å; C1298-F1300 HydrophobicContact CB-CE2 4.25Å; C1298-F1300 VanDerWaalsContact SG-CE2 3.51Å; C1298-F1300 WeakPolarHBondContact SG-CZ 3.2Å; C1298-T1582 CarbonylContact O-C 3.5Å; C1298-T1582 WeakPolarHBondContact O-CA 3.17Å; C1298-I1583 PolarHBondContact N-O 2.96Å; C1298-I1583 PolarHBondContact O-N 2.86Å; C1298-M1585 HydrophobicContact CB-CG 4.2Å; C1298-M1585 HydrophobicContact CB-SD 3.71Å |
| 1299 | T | 89.8 | Confident | 83.3 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 17% | 0.172 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124 | 176.2 | -54 | 0 | 0 | 0 | 0 | 110.5 | Q1289 K1290 R1580 L1581 T1582 | Q1289-T1299 CarbonylContact C-O 3.6Å; Q1289-T1299 WeakPolarHBondContact CA-O 3.23Å; K1290-T1299 PolarHBondContact N-O 3.39Å; K1290-T1299 PolarHBondContact O-N 2.8Å; T1299-R1580 HydrophobicContact CG2-CB 4.32Å; T1299-L1581 CarbonylContact C-O 3.58Å; T1299-L1581 WeakPolarHBondContact CA-O 3.21Å; T1299-T1582 WeakPolarHBondContact OG1-CG2 3.36Å; T1299-T1582 PolarHBondContact OG1-OG1 3.08Å; T1299-T1582 VanDerWaalsContact OG1-OG1 3.1Å |
| 1300 | F | 89.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.1 | 173.1 | -65.9 | -82.6 | 0 | 0 | 0 | 110.4 | I1287 G1288 Q1289 C1298 F1302 R1580 L1581 I1583 L1597 I1601 | I1287-F1300 HydrophobicContact CG2-CB 4.38Å; G1288-F1300 CarbonylContact O-C 3.29Å; G1288-F1300 WeakPolarHBondContact O-CA 2.95Å; Q1289-F1300 HydrophobicContact CB-CE1 4.48Å; Q1289-F1300 HydrophobicContact CG-CD1 4.33Å; Q1289-F1300 HydrophobicContact CG-CE1 3.97Å; Q1289-F1300 HydrophobicContact CG-CZ 4.48Å; C1298-F1300 HydrophobicContact CB-CE2 4.25Å; C1298-F1300 VanDerWaalsContact SG-CE2 3.51Å; C1298-F1300 WeakPolarHBondContact SG-CZ 3.2Å; F1300-F1302 HydrophobicContact CB-CE2 3.93Å; F1300-F1302 HydrophobicContact CB-CZ 4.22Å; F1300-R1580 CarbonylContact O-C 3.34Å; F1300-R1580 VanDerWaalsContact O-CA 3.24Å; F1300-R1580 WeakPolarHBondContact O-CA 3.3Å; F1300-L1581 PolarHBondContact N-O 3.31Å; F1300-L1581 PolarHBondContact O-N 3.33Å; F1300-I1583 HydrophobicContact CD2-CD1 4.18Å; F1300-I1583 HydrophobicContact CE2-CD1 4.02Å; F1300-L1597 HydrophobicContact CE2-CB 4.15Å; F1300-L1597 HydrophobicContact CE2-CD1 4.25Å; F1300-L1597 HydrophobicContact CZ-CB 3.67Å; F1300-L1597 HydrophobicContact CZ-CD1 4.43Å; F1300-I1601 HydrophobicContact CD1-CD1 3.79Å; F1300-I1601 HydrophobicContact CD2-CD1 3.64Å; F1300-I1601 HydrophobicContact CE1-CD1 3.78Å; F1300-I1601 HydrophobicContact CE2-CD1 3.63Å; F1300-I1601 HydrophobicContact CG-CD1 3.71Å; F1300-I1601 HydrophobicContact CZ-CD1 3.71Å |
| 1301 | E | 90.2 | Very high | 82.4 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 103.5 | -176.1 | -175.1 | 168.8 | -172.3 | 0 | 0 | 110.2 | I1287 G1288 K1290 A1579 R1580 | I1287-E1301 WeakPolarHBondContact CG2-O 3.46Å; G1288-E1301 PolarHBondContact N-O 2.85Å; G1288-E1301 PolarHBondContact O-N 3.21Å; K1290-E1301 IonicContact NZ-OE2 2.91Å; K1290-E1301 PolarHBondContact NZ-OE2 3.32Å; E1301-A1579 CarbonylContact C-O 3.51Å; E1301-R1580 HydrophobicContact CB-CG 4.09Å; E1301-R1580 HydrophobicContact CG-CG 3.94Å |
| 1302 | F | 89.9 | Confident | 82 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 102.1 | 179.6 | -57.7 | -94 | 0 | 0 | 0 | 109.6 | L1283 I1287 F1300 L1325 L1329 F1330 W1578 A1579 L1581 I1601 I1605 | L1283-F1302 HydrophobicContact CD1-CD1 4.31Å; L1283-F1302 HydrophobicContact CD2-CB 4.23Å; I1287-F1302 HydrophobicContact CD1-CD1 4.27Å; I1287-F1302 HydrophobicContact CD1-CE1 3.96Å; I1287-F1302 HydrophobicContact CG2-CD1 4.22Å; I1287-F1302 HydrophobicContact CG2-CE1 4.39Å; I1287-F1302 HydrophobicContact CG2-CG 4.42Å; F1300-F1302 HydrophobicContact CB-CE2 3.93Å; F1300-F1302 HydrophobicContact CB-CZ 4.22Å; F1302-L1325 HydrophobicContact CB-CD1 4.3Å; F1302-L1329 HydrophobicContact CE1-CD2 4.1Å; F1302-F1330 HydrophobicContact CD2-CE1 4.48Å; F1302-F1330 HydrophobicContact CD2-CZ 4.39Å; F1302-F1330 AromaticContact CE2-CE1 3.79Å; F1302-F1330 HydrophobicContact CE2-CE1 3.79Å; F1302-F1330 HydrophobicContact CE2-CZ 4.08Å; F1302-F1330 AromaticContact CZ-CE1 3.92Å; F1302-F1330 HydrophobicContact CZ-CE1 3.92Å; F1302-W1578 CarbonylContact O-C 3.47Å; F1302-W1578 WeakPolarHBondContact O-CA 3.49Å; F1302-A1579 HydrophobicContact CB-CB 4.41Å; F1302-A1579 PolarHBondContact N-O 2.81Å; F1302-A1579 PolarHBondContact O-N 2.82Å; F1302-L1581 HydrophobicContact CE2-CB 4.18Å; F1302-I1601 HydrophobicContact CE1-CG2 3.97Å; F1302-I1601 HydrophobicContact CZ-CG2 4.15Å; F1302-I1605 HydrophobicContact CE1-CD1 4.16Å |
| 1303 | N | 89 | Confident | 81.4 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.8 | 175.9 | -69.7 | -37.8 | 0 | 0 | 0 | 110.2 | L1283 Q1284 | L1283-N1303 CarbonylContact C-O 3.56Å; L1283-N1303 WeakPolarHBondContact CA-O 3.35Å; Q1284-N1303 HydrophobicContact CB-CB 3.96Å; Q1284-N1303 PolarHBondContact N-O 3.32Å |
| 1304 | L | 87.2 | Confident | 81.3 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 136.7 | 179.8 | -67.5 | 158 | 0 | 0 | 0 | 110 | L1283 V1321 P1576 K1577 | L1283-L1304 HydrophobicContact CD2-CD2 4Å; L1304-V1321 HydrophobicContact CD2-CB 3.85Å; L1304-V1321 HydrophobicContact CD2-CG1 3.35Å; L1304-P1576 HydrophobicContact CD1-CB 4.21Å; L1304-P1576 HydrophobicContact CD1-CG 4.27Å; L1304-P1576 WeakPolarHBondContact CD1-O 3.46Å; L1304-K1577 PolarHBondContact N-O 2.74Å |
| 1305 | Q | 84 | Confident | 81.2 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 147 | 172.9 | -70.1 | -70 | -8.5 | 0 | 0 | 110.7 | T1282 V1309 Y1310 | T1282-Q1305 PolarHBondContact O-N 3.05Å; Q1305-V1309 HydrophobicContact CB-CB 4.4Å; Q1305-V1309 HydrophobicContact CB-CG2 4.42Å; Q1305-Y1310 HydrophobicContact CB-CD1 4.36Å; Q1305-Y1310 HydrophobicContact CB-CE1 4.22Å |
| 1306 | P | 78 | Confident | 81.4 | Confident | 76 Ų | 76 | 46.8 Ų | 46.8 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 144.1 | 171.2 | -20.9 | 31.4 | 0 | 0 | 0 | 111.3 | S1308 V1309 | P1306-S1308 PolarHBondContact O-N 3.29Å; P1306-V1309 HydrophobicContact CB-CG2 4.48Å; P1306-V1309 PolarHBondContact O-N 3.46Å |
| 1307 | K | 75.3 | Confident | 81.5 | Confident | 115 Ų | 115 | 47.4 Ų | 47.4 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -50.9 | -32.4 | 178.4 | -174.4 | -179.3 | 178.5 | -176.9 | 0 | 112.6 | V1309 Y1310 S1311 P1318 | K1307-V1309 PolarHBondContact O-N 3.1Å; K1307-Y1310 PolarHBondContact O-N 3.01Å; K1307-S1311 WeakPolarHBondContact O-CB 3.43Å; K1307-S1311 PolarHBondContact O-N 3.49Å; K1307-S1311 PolarHBondContact O-OG 3.45Å; K1307-P1318 HydrophobicContact CB-CG 4.33Å |
| 1308 | S | 79.9 | Confident | 81.4 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60 | -23.2 | 179.4 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | P1306 S1311 | P1306-S1308 PolarHBondContact O-N 3.29Å; S1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; S1308-S1311 PolarHBondContact O-OG 3.34Å |
| 1309 | V | 78.9 | Confident | 81.2 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.9 | -37.2 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | Q1305 P1306 K1307 | Q1305-V1309 HydrophobicContact CB-CB 4.4Å; Q1305-V1309 HydrophobicContact CB-CG2 4.42Å; P1306-V1309 HydrophobicContact CB-CG2 4.48Å; P1306-V1309 PolarHBondContact O-N 3.46Å; K1307-V1309 PolarHBondContact O-N 3.1Å |
| 1310 | Y | 77.8 | Confident | 81 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -119.9 | 3.4 | -174.9 | 58.4 | -94.3 | 0 | 0 | 0 | 113.4 | L1277 T1282 Q1305 K1307 D1312 Q1313 S1314 V1316 | L1277-Y1310 HydrophobicContact CD2-CD2 4.4Å; T1282-Y1310 HydrophobicContact CG2-CE1 4.5Å; Q1305-Y1310 HydrophobicContact CB-CD1 4.36Å; Q1305-Y1310 HydrophobicContact CB-CE1 4.22Å; K1307-Y1310 PolarHBondContact O-N 3.01Å; Y1310-D1312 VanDerWaalsContact C-N 3.26Å; Y1310-D1312 PolarHBondContact O-N 2.89Å; Y1310-Q1313 PolarHBondContact O-N 2.91Å; Y1310-S1314 WeakPolarHBondContact CD2-OG 3.49Å; Y1310-S1314 PolarHBondContact O-N 3.13Å; Y1310-S1314 PolarHBondContact O-OG 3.09Å; Y1310-V1316 HydrophobicContact CE2-CB 4.37Å; Y1310-V1316 WeakPolarHBondContact CE2-O 3.19Å |
| 1311 | S | 73.9 | Confident | 80.8 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -26.3 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | K1307 S1308 Q1313 S1314 | K1307-S1311 WeakPolarHBondContact O-CB 3.43Å; K1307-S1311 PolarHBondContact O-N 3.49Å; K1307-S1311 PolarHBondContact O-OG 3.45Å; S1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; S1308-S1311 PolarHBondContact O-OG 3.34Å; S1311-Q1313 VanDerWaalsContact C-N 3.25Å; S1311-Q1313 PolarHBondContact O-N 2.81Å; S1311-S1314 WeakPolarHBondContact CA-O 3.39Å |
| 1312 | D | 72.8 | Confident | 80.6 | Confident | 119 Ų | 119 | 52.1 Ų | 52.1 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30.5 | 178.8 | -70.6 | -7.1 | 0 | 0 | 0 | 110.9 | K1272 Y1310 | K1272-D1312 WeakPolarHBondContact CE-O 3.4Å; K1272-D1312 PolarHBondContact NZ-O 3.1Å; Y1310-D1312 VanDerWaalsContact C-N 3.26Å; Y1310-D1312 PolarHBondContact O-N 2.89Å |
| 1313 | Q | 71.4 | Confident | 80.4 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -29 | -174.7 | -62.5 | 177.5 | -1.7 | 0 | 0 | 113.6 | K1272 Y1275 Y1310 S1311 | K1272-Q1313 VanDerWaalsContact CA-O 3.24Å; K1272-Q1313 WeakPolarHBondContact CA-O 3.43Å; K1272-Q1313 WeakPolarHBondContact CB-O 3.5Å; Y1275-Q1313 WeakPolarHBondContact CB-O 3.21Å; Y1275-Q1313 HydrophobicContact CD1-CB 4.32Å; Y1275-Q1313 HydrophobicContact CE1-CB 4.32Å; Y1275-Q1313 HydrophobicContact CG-CB 4.45Å; Y1275-Q1313 PolarHBondContact OH-OE1 2.94Å; Y1310-Q1313 PolarHBondContact O-N 2.91Å; S1311-Q1313 VanDerWaalsContact C-N 3.25Å; S1311-Q1313 PolarHBondContact O-N 2.81Å |
| 1314 | S | 75.4 | Confident | 80.4 | Confident | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | trans | -140.2 | 157.5 | -174.5 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | Y1310 S1311 | Y1310-S1314 WeakPolarHBondContact CD2-OG 3.49Å; Y1310-S1314 PolarHBondContact O-N 3.13Å; Y1310-S1314 PolarHBondContact O-OG 3.09Å; S1311-S1314 WeakPolarHBondContact CA-O 3.39Å | ||
| 1315 | H | 76.7 | Confident | 80.4 | Confident | 106 Ų | 106 | 56.3 Ų | 56.3 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | trans | -93.1 | 6.4 | 178.5 | -68.7 | -72.1 | 0 | 0 | 0 | 114.4 | Q1269 | Q1269-H1315 PolarHBondContact O-NE2 3.36Å; Q1269-H1315 VanDerWaalsContact O-NE2 3.11Å | ||
| 1316 | V | 78.8 | Confident | 80.6 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -68.6 | 137.3 | -171.3 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | L1277 Y1310 R1320 V1321 V1610 | L1277-V1316 HydrophobicContact CD2-CB 3.77Å; L1277-V1316 HydrophobicContact CD2-CG1 4.13Å; L1277-V1316 HydrophobicContact CD2-CG2 3.65Å; Y1310-V1316 HydrophobicContact CE2-CB 4.37Å; Y1310-V1316 WeakPolarHBondContact CE2-O 3.19Å; V1316-R1320 HydrophobicContact CG1-CB 4.15Å; V1316-R1320 HydrophobicContact CG1-CG 4.31Å; V1316-V1321 HydrophobicContact CG1-CG2 3.84Å; V1316-V1610 HydrophobicContact CG1-CG1 3.93Å | ||
| 1317 | T | 82.4 | Confident | 81 | Confident | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | trans | -91.9 | 148.8 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | V1319 R1320 V1321 | T1317-V1319 PolarHBondContact O-N 2.89Å; T1317-V1319 VanDerWaalsContact O-N 3.13Å; T1317-R1320 WeakPolarHBondContact O-CB 3.27Å; T1317-R1320 PolarHBondContact O-N 3.2Å; T1317-R1320 PolarHBondContact OG1-N 3.01Å; T1317-V1321 PolarHBondContact O-N 3.28Å | ||
| 1318 | P | 82 | Confident | 81.5 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.7 | -29.2 | 175.3 | -26.2 | 33.9 | 0 | 0 | 0 | 113.7 | K1307 V1321 L1322 P1576 | K1307-P1318 HydrophobicContact CB-CG 4.33Å; P1318-V1321 PolarHBondContact O-N 3.48Å; P1318-L1322 PolarHBondContact O-N 3.36Å; P1318-P1576 HydrophobicContact CB-CG 4.27Å |
| 1319 | V | 83.3 | Confident | 82 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 175 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | T1317 V1321 L1322 R1323 | T1317-V1319 PolarHBondContact O-N 2.89Å; T1317-V1319 VanDerWaalsContact O-N 3.13Å; V1319-V1321 VanDerWaalsContact C-N 3.35Å; V1319-L1322 PolarHBondContact O-N 2.88Å; V1319-R1323 PolarHBondContact O-N 3.25Å |
| 1320 | R | 84.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65 | -38.8 | 175.4 | -176.6 | 170.7 | -178.9 | 142.3 | 0.7 | 111.6 | V1316 T1317 R1323 F1324 E1533 | V1316-R1320 HydrophobicContact CG1-CB 4.15Å; V1316-R1320 HydrophobicContact CG1-CG 4.31Å; T1317-R1320 WeakPolarHBondContact O-CB 3.27Å; T1317-R1320 PolarHBondContact O-N 3.2Å; T1317-R1320 PolarHBondContact OG1-N 3.01Å; R1320-R1323 PolarHBondContact O-N 3.31Å; R1320-F1324 WeakPolarHBondContact O-CB 3.3Å; R1320-F1324 PolarHBondContact O-N 3.45Å; R1320-E1533 IonicContact NH1-OE1 2.76Å; R1320-E1533 PolarHBondContact NH1-OE1 3.15Å |
| 1321 | V | 84.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | L1279 T1282 L1304 V1316 T1317 P1318 V1319 R1323 F1324 L1325 V1610 | L1279-V1321 HydrophobicContact CD1-CG1 3.97Å; T1282-V1321 HydrophobicContact CG2-CG2 4.11Å; T1282-V1321 WeakPolarHBondContact OG1-CG1 3.4Å; L1304-V1321 HydrophobicContact CD2-CB 3.85Å; L1304-V1321 HydrophobicContact CD2-CG1 3.35Å; V1316-V1321 HydrophobicContact CG1-CG2 3.84Å; T1317-V1321 PolarHBondContact O-N 3.28Å; P1318-V1321 PolarHBondContact O-N 3.48Å; V1319-V1321 VanDerWaalsContact C-N 3.35Å; V1321-R1323 PolarHBondContact O-N 2.94Å; V1321-F1324 WeakPolarHBondContact O-CB 3.49Å; V1321-F1324 PolarHBondContact O-N 2.82Å; V1321-L1325 PolarHBondContact O-N 3.25Å; V1321-V1610 HydrophobicContact CG2-CG1 4.3Å |
| 1322 | L | 86.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 177.3 | -174.9 | 66.9 | 0 | 0 | 0 | 112.2 | P1318 V1319 F1324 L1325 E1326 F1569 P1576 A1579 | P1318-L1322 PolarHBondContact O-N 3.36Å; V1319-L1322 PolarHBondContact O-N 2.88Å; L1322-F1324 VanDerWaalsContact C-N 3.3Å; L1322-F1324 PolarHBondContact O-N 2.81Å; L1322-L1325 WeakPolarHBondContact O-CB 3.38Å; L1322-L1325 PolarHBondContact O-N 3.38Å; L1322-E1326 PolarHBondContact O-N 3.35Å; L1322-F1569 HydrophobicContact CD1-CB 4.19Å; L1322-F1569 HydrophobicContact CD2-CB 4.49Å; L1322-F1569 HydrophobicContact CD2-CD2 3.95Å; L1322-F1569 HydrophobicContact CD2-CG 4.39Å; L1322-P1576 HydrophobicContact CB-CG 4.1Å; L1322-P1576 HydrophobicContact CD2-CB 3.77Å; L1322-P1576 HydrophobicContact CD2-CG 3.84Å; L1322-A1579 HydrophobicContact CD1-CB 3.82Å |
| 1323 | R | 86.3 | Confident | 84.5 | Confident | 128 Ų | 128 | 44.6 Ų | 44.6 | 48% | 0.483 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -36.7 | 174 | -74.2 | -174.6 | -179.3 | 174.3 | 0.7 | 112.3 | V1319 R1320 V1321 E1326 R1327 | V1319-R1323 PolarHBondContact O-N 3.25Å; R1320-R1323 PolarHBondContact O-N 3.31Å; V1321-R1323 PolarHBondContact O-N 2.94Å; R1323-E1326 PolarHBondContact O-N 2.93Å; R1323-R1327 WeakPolarHBondContact O-CB 3.5Å; R1323-R1327 PolarHBondContact O-N 2.95Å |
| 1324 | F | 87.5 | Confident | 85.2 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 175.6 | -175.2 | -80.9 | 0 | 0 | 0 | 111.5 | L1279 R1320 V1321 L1322 E1326 I1328 L1329 V1609 V1610 | L1279-F1324 HydrophobicContact CD1-CD1 4.13Å; L1279-F1324 HydrophobicContact CD1-CE1 4.5Å; L1279-F1324 HydrophobicContact CD2-CD1 4.28Å; L1279-F1324 HydrophobicContact CD2-CE1 4.05Å; R1320-F1324 WeakPolarHBondContact O-CB 3.3Å; R1320-F1324 PolarHBondContact O-N 3.45Å; V1321-F1324 WeakPolarHBondContact O-CB 3.49Å; V1321-F1324 PolarHBondContact O-N 2.82Å; L1322-F1324 VanDerWaalsContact C-N 3.3Å; L1322-F1324 PolarHBondContact O-N 2.81Å; F1324-E1326 VanDerWaalsContact C-N 3.33Å; F1324-E1326 PolarHBondContact O-N 3Å; F1324-I1328 HydrophobicContact CD2-CB 4.38Å; F1324-I1328 HydrophobicContact CD2-CD1 3.55Å; F1324-I1328 HydrophobicContact CD2-CG1 4.46Å; F1324-I1328 HydrophobicContact CE1-CB 4.38Å; F1324-I1328 HydrophobicContact CE1-CG2 4.28Å; F1324-I1328 HydrophobicContact CE2-CB 4.17Å; F1324-I1328 HydrophobicContact CE2-CD1 3.52Å; F1324-I1328 HydrophobicContact CE2-CG1 4.43Å; F1324-I1328 HydrophobicContact CE2-CG2 4.04Å; F1324-I1328 HydrophobicContact CG-CD1 4.39Å; F1324-I1328 HydrophobicContact CZ-CB 4.17Å; F1324-I1328 HydrophobicContact CZ-CD1 4.35Å; F1324-I1328 HydrophobicContact CZ-CG2 3.78Å; F1324-I1328 WeakPolarHBondContact O-CB 3.46Å; F1324-I1328 PolarHBondContact O-N 3.47Å; F1324-L1329 PolarHBondContact O-N 3.44Å; F1324-L1329 VanDerWaalsContact O-N 3.12Å; F1324-V1609 WeakPolarHBondContact CE2-O 3.35Å; F1324-V1609 WeakPolarHBondContact CZ-O 3.44Å; F1324-V1610 HydrophobicContact CD1-CG2 4.45Å; F1324-V1610 HydrophobicContact CG-CG2 4.46Å |
| 1325 | L | 88.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -58.8 | -46.3 | 174.7 | -65.3 | 175.9 | 0 | 0 | 0 | 111.3 | L1279 F1302 V1321 L1322 L1329 F1330 A1579 | L1279-L1325 HydrophobicContact CD1-CD2 4.1Å; L1279-L1325 HydrophobicContact CD2-CD2 3.98Å; F1302-L1325 HydrophobicContact CB-CD1 4.3Å; V1321-L1325 PolarHBondContact O-N 3.25Å; L1322-L1325 WeakPolarHBondContact O-CB 3.38Å; L1322-L1325 PolarHBondContact O-N 3.38Å; L1325-L1329 HydrophobicContact CD2-CB 4.35Å; L1325-L1329 HydrophobicContact CD2-CD2 3.45Å; L1325-L1329 VanDerWaalsContact CD2-CD2 3.45Å; L1325-L1329 WeakPolarHBondContact O-CB 3.15Å; L1325-L1329 PolarHBondContact O-N 3.43Å; L1325-F1330 HydrophobicContact CB-CE2 4.18Å; L1325-F1330 HydrophobicContact CB-CZ 4.12Å; L1325-F1330 WeakPolarHBondContact O-CD2 3.35Å; L1325-F1330 VanDerWaalsContact O-CG 3.26Å; L1325-F1330 WeakPolarHBondContact O-CG 3.31Å; L1325-F1330 PolarHBondContact O-N 2.75Å; L1325-A1579 HydrophobicContact CD1-CB 4.21Å |
| 1326 | E | 87.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -72 | -43.8 | -175.2 | -70.1 | 172.7 | -179.9 | 0 | 0 | 114.1 | L1322 R1323 F1324 F1330 P1331 R1553 V1557 Y1567 | L1322-E1326 PolarHBondContact O-N 3.35Å; R1323-E1326 PolarHBondContact O-N 2.93Å; F1324-E1326 VanDerWaalsContact C-N 3.33Å; F1324-E1326 PolarHBondContact O-N 3Å; E1326-F1330 HydrophobicContact CG-CE2 4.42Å; E1326-P1331 WeakPolarHBondContact O-CD 3.4Å; E1326-R1553 IonicContact OE1-CZ 2.56Å; E1326-R1553 VanDerWaalsContact OE1-CZ 3.3Å; E1326-R1553 IonicContact OE1-NE 3.45Å; E1326-R1553 PolarHBondContact OE1-NE 3.4Å; E1326-R1553 IonicContact OE1-NH2 2.72Å; E1326-R1553 PolarHBondContact OE1-NH2 3.44Å; E1326-R1553 IonicContact OE2-CZ 3.7Å; E1326-R1553 VanDerWaalsContact OE2-CZ 3.23Å; E1326-R1553 IonicContact OE2-NE 2.6Å; E1326-R1553 PolarHBondContact OE2-NE 3.01Å; E1326-R1553 IonicContact OE2-NH2 3.72Å; E1326-R1553 PolarHBondContact OE2-NH2 3.45Å; E1326-V1557 HydrophobicContact CB-CG2 4.27Å; E1326-V1557 HydrophobicContact CG-CG2 4.06Å; E1326-Y1567 HydrophobicContact CG-CE1 4.09Å; E1326-Y1567 VanDerWaalsContact CG-OH 3.22Å; E1326-Y1567 WeakPolarHBondContact CG-OH 3.42Å; E1326-Y1567 WeakPolarHBondContact OE1-CE1 3.02Å; E1326-Y1567 PolarHBondContact OE1-OH 3Å |
| 1327 | R | 87.1 | Confident | 86.5 | Confident | 129 Ų | 129 | 41 Ų | 41 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -94.8 | -19.5 | -171.4 | -70.5 | -171.3 | 167.5 | -177.4 | -6.6 | 114.6 | R1323 P1331 | R1323-R1327 WeakPolarHBondContact O-CB 3.5Å; R1323-R1327 PolarHBondContact O-N 2.95Å; R1327-P1331 WeakPolarHBondContact O-CG 3.44Å |
| 1328 | I | 85.9 | Confident | 86.6 | Confident | 87 Ų | 87 | 41.4 Ų | 41.4 | 45% | 0.446 | 19% | 0.191 | S | C | . | . | I | π-helix | trans | -122.6 | -54.1 | -174.8 | -60.7 | 171.3 | 0 | 0 | 0 | 110.7 | F1324 D1332 | F1324-I1328 HydrophobicContact CD2-CB 4.38Å; F1324-I1328 HydrophobicContact CD2-CD1 3.55Å; F1324-I1328 HydrophobicContact CD2-CG1 4.46Å; F1324-I1328 HydrophobicContact CE1-CB 4.38Å; F1324-I1328 HydrophobicContact CE1-CG2 4.28Å; F1324-I1328 HydrophobicContact CE2-CB 4.17Å; F1324-I1328 HydrophobicContact CE2-CD1 3.52Å; F1324-I1328 HydrophobicContact CE2-CG1 4.43Å; F1324-I1328 HydrophobicContact CE2-CG2 4.04Å; F1324-I1328 HydrophobicContact CG-CD1 4.39Å; F1324-I1328 HydrophobicContact CZ-CB 4.17Å; F1324-I1328 HydrophobicContact CZ-CD1 4.35Å; F1324-I1328 HydrophobicContact CZ-CG2 3.78Å; F1324-I1328 WeakPolarHBondContact O-CB 3.46Å; F1324-I1328 PolarHBondContact O-N 3.47Å; I1328-D1332 WeakPolarHBondContact O-CB 3.42Å; I1328-D1332 PolarHBondContact O-N 3.37Å; I1328-D1332 VanDerWaalsContact O-N 3.16Å |
| 1329 | L | 89.2 | Confident | 86.6 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -67.2 | -50.8 | -175 | -172.4 | 76.6 | 0 | 0 | 0 | 112.7 | L1279 F1302 F1324 L1325 D1332 L1333 L1604 I1605 | L1279-L1329 HydrophobicContact CD2-CD1 4Å; L1279-L1329 HydrophobicContact CD2-CD2 4.07Å; L1279-L1329 HydrophobicContact CD2-CG 4.49Å; F1302-L1329 HydrophobicContact CE1-CD2 4.1Å; F1324-L1329 PolarHBondContact O-N 3.44Å; F1324-L1329 VanDerWaalsContact O-N 3.12Å; L1325-L1329 HydrophobicContact CD2-CB 4.35Å; L1325-L1329 HydrophobicContact CD2-CD2 3.45Å; L1325-L1329 VanDerWaalsContact CD2-CD2 3.45Å; L1325-L1329 WeakPolarHBondContact O-CB 3.15Å; L1325-L1329 PolarHBondContact O-N 3.43Å; L1329-D1332 PolarHBondContact O-N 2.79Å; L1329-L1333 WeakPolarHBondContact O-CB 3.4Å; L1329-L1333 PolarHBondContact O-N 2.83Å; L1329-L1604 HydrophobicContact CD1-CB 3.92Å; L1329-I1605 HydrophobicContact CD1-CG1 4.34Å; L1329-I1605 HydrophobicContact CD2-CG1 4.38Å |
| 1330 | F | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.3 | -36 | -176.9 | -58.6 | -33.4 | 0 | 0 | 0 | 113.9 | F1302 L1325 E1326 L1333 A1334 V1557 L1560 F1564 Y1567 L1581 | F1302-F1330 HydrophobicContact CD2-CE1 4.48Å; F1302-F1330 HydrophobicContact CD2-CZ 4.39Å; F1302-F1330 AromaticContact CE2-CE1 3.79Å; F1302-F1330 HydrophobicContact CE2-CE1 3.79Å; F1302-F1330 HydrophobicContact CE2-CZ 4.08Å; F1302-F1330 AromaticContact CZ-CE1 3.92Å; F1302-F1330 HydrophobicContact CZ-CE1 3.92Å; L1325-F1330 HydrophobicContact CB-CE2 4.18Å; L1325-F1330 HydrophobicContact CB-CZ 4.12Å; L1325-F1330 WeakPolarHBondContact O-CD2 3.35Å; L1325-F1330 VanDerWaalsContact O-CG 3.26Å; L1325-F1330 WeakPolarHBondContact O-CG 3.31Å; L1325-F1330 PolarHBondContact O-N 2.75Å; E1326-F1330 HydrophobicContact CG-CE2 4.42Å; F1330-L1333 PolarHBondContact O-N 3.22Å; F1330-A1334 WeakPolarHBondContact O-CB 3.23Å; F1330-A1334 PolarHBondContact O-N 3.46Å; F1330-V1557 HydrophobicContact CB-CG1 4.39Å; F1330-V1557 HydrophobicContact CD2-CG1 3.63Å; F1330-V1557 HydrophobicContact CD2-CG2 4.01Å; F1330-V1557 HydrophobicContact CE2-CG1 4.26Å; F1330-V1557 HydrophobicContact CG-CG1 4.24Å; F1330-L1560 HydrophobicContact CB-CD1 3.87Å; F1330-F1564 HydrophobicContact CB-CE2 4.46Å; F1330-Y1567 HydrophobicContact CD2-CE2 4.36Å; F1330-Y1567 AromaticContact CE2-CD2 3.93Å; F1330-Y1567 HydrophobicContact CE2-CD2 3.93Å; F1330-Y1567 AromaticContact CE2-CE2 3.38Å; F1330-Y1567 HydrophobicContact CE2-CE2 3.38Å; F1330-Y1567 AromaticContact CE2-CZ 3.99Å; F1330-Y1567 HydrophobicContact CZ-CD2 4.45Å; F1330-Y1567 AromaticContact CZ-CE2 3.92Å; F1330-Y1567 HydrophobicContact CZ-CE2 3.92Å; F1330-L1581 HydrophobicContact CD1-CD2 3.77Å; F1330-L1581 HydrophobicContact CE1-CB 4.3Å; F1330-L1581 HydrophobicContact CE1-CD2 3.88Å; F1330-L1581 HydrophobicContact CG-CD2 4.43Å; F1330-L1581 HydrophobicContact CZ-CB 4.38Å |
| 1331 | P | 89.4 | Confident | 86.2 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 169.3 | -28.2 | 38.1 | 0 | 0 | 0 | 113.6 | E1326 R1327 L1333 A1334 H1335 L1560 | E1326-P1331 WeakPolarHBondContact O-CD 3.4Å; R1327-P1331 WeakPolarHBondContact O-CG 3.44Å; P1331-L1333 VanDerWaalsContact C-N 3.3Å; P1331-L1333 PolarHBondContact O-N 2.83Å; P1331-A1334 WeakPolarHBondContact O-CB 3.06Å; P1331-A1334 PolarHBondContact O-N 2.58Å; P1331-A1334 VanDerWaalsContact O-N 3.15Å; P1331-H1335 PolarHBondContact O-N 3.09Å; P1331-L1560 HydrophobicContact CB-CD2 4.44Å; P1331-L1560 HydrophobicContact CG-CD1 3.76Å; P1331-L1560 HydrophobicContact CG-CD2 4.02Å |
| 1332 | D | 86.4 | Confident | 85.9 | Confident | 48 Ų | 48 | 46.9 Ų | 46.9 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -35.9 | 176.5 | -167.8 | 17.5 | 0 | 0 | 0 | 111.2 | I1328 L1329 H1335 R1336 L1604 | I1328-D1332 WeakPolarHBondContact O-CB 3.42Å; I1328-D1332 PolarHBondContact O-N 3.37Å; I1328-D1332 VanDerWaalsContact O-N 3.16Å; L1329-D1332 PolarHBondContact O-N 2.79Å; D1332-H1335 PolarHBondContact O-N 3.43Å; D1332-R1336 VanDerWaalsContact CG-NH2 3.32Å; D1332-R1336 WeakPolarHBondContact O-CG 3.48Å; D1332-R1336 PolarHBondContact O-N 3.32Å; D1332-R1336 VanDerWaalsContact O-N 3.07Å; D1332-R1336 IonicContact OD1-CZ 3.34Å; D1332-R1336 IonicContact OD1-NE 3.67Å; D1332-R1336 PolarHBondContact OD1-NE 3.25Å; D1332-R1336 IonicContact OD1-NH2 2.82Å; D1332-R1336 PolarHBondContact OD1-NH2 2.76Å; D1332-R1336 VanDerWaalsContact OD1-NH2 3.12Å; D1332-R1336 IonicContact OD2-CZ 2.72Å; D1332-R1336 VanDerWaalsContact OD2-CZ 3.26Å; D1332-R1336 IonicContact OD2-NE 3.53Å; D1332-R1336 IonicContact OD2-NH2 3.12Å; D1332-R1336 PolarHBondContact OD2-NH2 2.98Å; D1332-L1604 HydrophobicContact CB-CD2 3.94Å; D1332-L1604 VanDerWaalsContact CG-CD2 3.42Å; D1332-L1604 WeakPolarHBondContact OD2-CD2 3.38Å |
| 1333 | L | 89.2 | Confident | 85.4 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 171.1 | -179.5 | 63.4 | 0 | 0 | 0 | 112.1 | L1329 F1330 P1331 L1337 F1564 L1581 I1583 L1600 I1601 L1604 | L1329-L1333 WeakPolarHBondContact O-CB 3.4Å; L1329-L1333 PolarHBondContact O-N 2.83Å; F1330-L1333 PolarHBondContact O-N 3.22Å; P1331-L1333 VanDerWaalsContact C-N 3.3Å; P1331-L1333 PolarHBondContact O-N 2.83Å; L1333-L1337 WeakPolarHBondContact O-CB 3.38Å; L1333-L1337 PolarHBondContact O-N 3.44Å; L1333-F1564 HydrophobicContact CB-CZ 4.46Å; L1333-F1564 HydrophobicContact CD2-CE1 4.35Å; L1333-F1564 HydrophobicContact CD2-CZ 3.99Å; L1333-F1564 HydrophobicContact CG-CZ 4.07Å; L1333-L1581 HydrophobicContact CD2-CD2 3.77Å; L1333-I1583 HydrophobicContact CD2-CD1 4.22Å; L1333-L1600 HydrophobicContact CD1-CD2 3.97Å; L1333-L1600 HydrophobicContact CD1-CG 4.28Å; L1333-I1601 HydrophobicContact CD1-CG1 3.82Å; L1333-I1601 HydrophobicContact CD2-CD1 4.37Å; L1333-I1601 HydrophobicContact CD2-CG1 4.14Å; L1333-L1604 HydrophobicContact CB-CD1 3.86Å; L1333-L1604 HydrophobicContact CD1-CD1 3.47Å; L1333-L1604 VanDerWaalsContact CD1-CD1 3.47Å; L1333-L1604 HydrophobicContact CG-CD1 4.26Å |
| 1334 | A | 88.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1330 P1331 N1338 L1560 H1561 F1564 | F1330-A1334 WeakPolarHBondContact O-CB 3.23Å; F1330-A1334 PolarHBondContact O-N 3.46Å; P1331-A1334 WeakPolarHBondContact O-CB 3.06Å; P1331-A1334 PolarHBondContact O-N 2.58Å; P1331-A1334 VanDerWaalsContact O-N 3.15Å; A1334-N1338 PolarHBondContact O-N 3.47Å; A1334-N1338 PolarHBondContact O-ND2 2.98Å; A1334-L1560 HydrophobicContact CB-CB 4.25Å; A1334-H1561 HydrophobicContact CB-CB 3.84Å; A1334-H1561 PolarHBondContact O-CD2 2.98Å; A1334-F1564 HydrophobicContact CB-CE2 4.15Å; A1334-F1564 HydrophobicContact CB-CZ 4.14Å |
| 1335 | H | 86.4 | Confident | 83.8 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 46% | 0.463 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -51.4 | 176.7 | -169.1 | -80.4 | 0 | 0 | 0 | 111.8 | P1331 D1332 L1337 N1338 E1339 | P1331-H1335 PolarHBondContact O-N 3.09Å; D1332-H1335 PolarHBondContact O-N 3.43Å; H1335-L1337 VanDerWaalsContact C-N 3.33Å; H1335-L1337 PolarHBondContact O-N 3.12Å; H1335-N1338 WeakPolarHBondContact O-CB 3.13Å; H1335-N1338 PolarHBondContact O-N 3.11Å; H1335-N1338 VanDerWaalsContact O-N 3.12Å; H1335-E1339 VanDerWaalsContact CE1-CD 3.48Å; H1335-E1339 IonicContact CE1-OE1 3.32Å; H1335-E1339 PolarHBondContact CE1-OE1 3.07Å; H1335-E1339 IonicContact CE1-OE2 3.42Å; H1335-E1339 IonicContact ND1-OE1 3.72Å; H1335-E1339 PolarHBondContact ND1-OE1 3.44Å; H1335-E1339 IonicContact ND1-OE2 2.87Å; H1335-E1339 PolarHBondContact ND1-OE2 3.29Å; H1335-E1339 PolarHBondContact O-N 2.93Å; H1335-E1339 VanDerWaalsContact O-N 3.13Å |
| 1336 | R | 84.5 | Confident | 82.8 | Confident | 39 Ų | 39 | 51 Ų | 51 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.2 | -34.1 | -178.3 | -68 | 177.6 | -162.4 | -166.1 | 1.9 | 112.8 | D1332 N1338 E1339 E1340 L1600 | D1332-R1336 VanDerWaalsContact CG-NH2 3.32Å; D1332-R1336 WeakPolarHBondContact O-CG 3.48Å; D1332-R1336 PolarHBondContact O-N 3.32Å; D1332-R1336 VanDerWaalsContact O-N 3.07Å; D1332-R1336 IonicContact OD1-CZ 3.34Å; D1332-R1336 IonicContact OD1-NE 3.67Å; D1332-R1336 PolarHBondContact OD1-NE 3.25Å; D1332-R1336 IonicContact OD1-NH2 2.82Å; D1332-R1336 PolarHBondContact OD1-NH2 2.76Å; D1332-R1336 VanDerWaalsContact OD1-NH2 3.12Å; D1332-R1336 IonicContact OD2-CZ 2.72Å; D1332-R1336 VanDerWaalsContact OD2-CZ 3.26Å; D1332-R1336 IonicContact OD2-NE 3.53Å; D1332-R1336 IonicContact OD2-NH2 3.12Å; D1332-R1336 PolarHBondContact OD2-NH2 2.98Å; R1336-N1338 VanDerWaalsContact C-N 3.28Å; R1336-N1338 PolarHBondContact O-N 3.49Å; R1336-E1339 PolarHBondContact O-N 3.48Å; R1336-E1340 WeakPolarHBondContact O-CB 3.32Å; R1336-E1340 VanDerWaalsContact O-CG 3.27Å; R1336-E1340 WeakPolarHBondContact O-CG 3.49Å; R1336-E1340 PolarHBondContact O-N 3.36Å; R1336-L1600 HydrophobicContact CB-CD1 4.35Å |
| 1337 | L | 85.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 173.8 | -171.8 | 63.2 | 0 | 0 | 0 | 111 | L1333 H1335 L1341 H1561 F1564 I1593 L1597 L1600 | L1333-L1337 WeakPolarHBondContact O-CB 3.38Å; L1333-L1337 PolarHBondContact O-N 3.44Å; H1335-L1337 VanDerWaalsContact C-N 3.33Å; H1335-L1337 PolarHBondContact O-N 3.12Å; L1337-L1341 HydrophobicContact CG-CD1 4.11Å; L1337-L1341 WeakPolarHBondContact O-CB 3.39Å; L1337-L1341 WeakPolarHBondContact O-CD1 3.45Å; L1337-L1341 WeakPolarHBondContact O-CG 3.32Å; L1337-L1341 PolarHBondContact O-N 3.25Å; L1337-H1561 VanDerWaalsContact CD2-CE1 3.46Å; L1337-H1561 WeakPolarHBondContact CD2-CE1 3.46Å; L1337-F1564 HydrophobicContact CD2-CE1 4.3Å; L1337-I1593 HydrophobicContact CD1-CD1 4.35Å; L1337-L1597 HydrophobicContact CD1-CD2 3.86Å; L1337-L1600 HydrophobicContact CD1-CD2 4.47Å |
| 1338 | N | 85.1 | Confident | 80.2 | Confident | 70 Ų | 70 | 51.4 Ų | 51.4 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 175.2 | -80.7 | -45 | 0 | 0 | 0 | 113.3 | A1334 H1335 R1336 K1342 H1561 | A1334-N1338 PolarHBondContact O-N 3.47Å; A1334-N1338 PolarHBondContact O-ND2 2.98Å; H1335-N1338 WeakPolarHBondContact O-CB 3.13Å; H1335-N1338 PolarHBondContact O-N 3.11Å; H1335-N1338 VanDerWaalsContact O-N 3.12Å; R1336-N1338 VanDerWaalsContact C-N 3.28Å; R1336-N1338 PolarHBondContact O-N 3.49Å; N1338-K1342 WeakPolarHBondContact O-CG 3.48Å; N1338-K1342 PolarHBondContact O-N 3.44Å; N1338-H1561 PolarHBondContact OD1-NE2 3.06Å |
| 1339 | E | 82.7 | Confident | 78.9 | Confident | 61 Ų | 61 | 52.9 Ų | 52.9 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 176.3 | -70 | 174.5 | 144.8 | 0 | 0 | 111.5 | H1335 R1336 L1341 K1342 D1343 | H1335-E1339 VanDerWaalsContact CE1-CD 3.48Å; H1335-E1339 IonicContact CE1-OE1 3.32Å; H1335-E1339 PolarHBondContact CE1-OE1 3.07Å; H1335-E1339 IonicContact CE1-OE2 3.42Å; H1335-E1339 IonicContact ND1-OE1 3.72Å; H1335-E1339 PolarHBondContact ND1-OE1 3.44Å; H1335-E1339 IonicContact ND1-OE2 2.87Å; H1335-E1339 PolarHBondContact ND1-OE2 3.29Å; H1335-E1339 PolarHBondContact O-N 2.93Å; H1335-E1339 VanDerWaalsContact O-N 3.13Å; R1336-E1339 PolarHBondContact O-N 3.48Å; E1339-L1341 VanDerWaalsContact C-N 3.29Å; E1339-L1341 PolarHBondContact O-N 3.44Å; E1339-K1342 WeakPolarHBondContact O-CB 3.17Å; E1339-K1342 PolarHBondContact O-N 2.87Å; E1339-D1343 PolarHBondContact O-N 3.02Å |
| 1340 | E | 79.2 | Confident | 77.4 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 31% | 0.308 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 179.2 | -71.6 | -78.9 | -176.8 | 0 | 0 | 111.9 | R1336 D1343 Q1344 I1595 | R1336-E1340 WeakPolarHBondContact O-CB 3.32Å; R1336-E1340 VanDerWaalsContact O-CG 3.27Å; R1336-E1340 WeakPolarHBondContact O-CG 3.49Å; R1336-E1340 PolarHBondContact O-N 3.36Å; E1340-D1343 PolarHBondContact O-N 2.96Å; E1340-Q1344 WeakPolarHBondContact O-CG 3.32Å; E1340-Q1344 PolarHBondContact O-N 2.88Å; E1340-I1595 HydrophobicContact CB-CD1 3.57Å; E1340-I1595 HydrophobicContact CB-CG1 3.98Å |
| 1341 | L | 79.5 | Confident | 75.5 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 173 | -74 | 169.1 | 0 | 0 | 0 | 112.3 | L1337 E1339 G1345 I1593 | L1337-L1341 HydrophobicContact CG-CD1 4.11Å; L1337-L1341 WeakPolarHBondContact O-CB 3.39Å; L1337-L1341 WeakPolarHBondContact O-CD1 3.45Å; L1337-L1341 WeakPolarHBondContact O-CG 3.32Å; L1337-L1341 PolarHBondContact O-N 3.25Å; E1339-L1341 VanDerWaalsContact C-N 3.29Å; E1339-L1341 PolarHBondContact O-N 3.44Å; L1341-G1345 PolarHBondContact O-N 3.31Å; L1341-I1593 HydrophobicContact CD2-CG1 4.4Å |
| 1342 | K | 78.5 | Confident | 73.9 | Confident | 147 Ų | 147 | 66.6 Ų | 66.6 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 174.4 | -75.2 | 172.1 | -177.1 | 173.4 | 0 | 111.7 | N1338 E1339 G1345 K1346 | N1338-K1342 WeakPolarHBondContact O-CG 3.48Å; N1338-K1342 PolarHBondContact O-N 3.44Å; E1339-K1342 WeakPolarHBondContact O-CB 3.17Å; E1339-K1342 PolarHBondContact O-N 2.87Å; K1342-G1345 WeakPolarHBondContact O-CA 3.3Å; K1342-G1345 PolarHBondContact O-N 2.98Å; K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.12Å |
| 1343 | D | 75.2 | Confident | 72.3 | Confident | 54 Ų | 54 | 72 Ų | 72 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.7 | -33.5 | -179.8 | -73.2 | -20 | 0 | 0 | 0 | 113 | E1339 E1340 G1345 K1346 T1347 | E1339-D1343 PolarHBondContact O-N 3.02Å; E1340-D1343 PolarHBondContact O-N 2.96Å; D1343-G1345 VanDerWaalsContact C-N 3.25Å; D1343-G1345 PolarHBondContact O-N 3.37Å; D1343-K1346 PolarHBondContact O-N 3.45Å; D1343-K1346 IonicContact OD1-NZ 3.22Å; D1343-K1346 PolarHBondContact OD1-NZ 3.02Å; D1343-T1347 WeakPolarHBondContact O-CB 3.48Å; D1343-T1347 PolarHBondContact O-N 3.19Å; D1343-T1347 PolarHBondContact O-OG1 3.4Å |
| 1344 | Q | 72.5 | Confident | 70.5 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.8 | -41.7 | 166.3 | -77.6 | -175.1 | -8.4 | 0 | 0 | 111.7 | E1340 T1347 S1348 S1594 I1595 | E1340-Q1344 WeakPolarHBondContact O-CG 3.32Å; E1340-Q1344 PolarHBondContact O-N 2.88Å; Q1344-T1347 PolarHBondContact O-N 3.32Å; Q1344-S1348 PolarHBondContact O-N 2.93Å; Q1344-S1348 VanDerWaalsContact O-N 3.09Å; Q1344-S1594 VanDerWaalsContact NE2-C 3.3Å; Q1344-S1594 PolarHBondContact NE2-OG 3.38Å; Q1344-I1595 HydrophobicContact CG-CD1 4.22Å |
| 1345 | G | 68 | Low | 69 | Low | 31 Ų | 31 | 80.1 Ų | 80.1 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.1 | -51.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1341 K1342 D1343 T1347 S1348 L1349 | L1341-G1345 PolarHBondContact O-N 3.31Å; K1342-G1345 WeakPolarHBondContact O-CA 3.3Å; K1342-G1345 PolarHBondContact O-N 2.98Å; D1343-G1345 VanDerWaalsContact C-N 3.25Å; D1343-G1345 PolarHBondContact O-N 3.37Å; G1345-T1347 PolarHBondContact O-N 2.7Å; G1345-S1348 PolarHBondContact O-N 3.44Å; G1345-S1348 PolarHBondContact O-OG 2.94Å; G1345-L1349 PolarHBondContact O-N 3.37Å |
| 1346 | K | 68.2 | Low | 67.6 | Low | 112 Ų | 112 | 78.6 Ų | 78.6 | 49% | 0.487 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 178 | -64 | 175.2 | -165.5 | 152.7 | 0 | 112.4 | K1342 D1343 S1348 L1349 I1350 | K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.12Å; D1343-K1346 PolarHBondContact O-N 3.45Å; D1343-K1346 IonicContact OD1-NZ 3.22Å; D1343-K1346 PolarHBondContact OD1-NZ 3.02Å; K1346-S1348 PolarHBondContact O-N 2.82Å; K1346-L1349 WeakPolarHBondContact O-CB 3.37Å; K1346-L1349 PolarHBondContact O-N 3.14Å; K1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; K1346-I1350 PolarHBondContact O-N 2.82Å; K1346-I1350 VanDerWaalsContact O-N 3.08Å |
| 1347 | T | 60.9 | Low | 66 | Low | 74 Ų | 74 | 78.8 Ų | 78.8 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.4 | -35 | -176.4 | -46.7 | 0 | 0 | 0 | 0 | 112 | D1343 Q1344 G1345 L1349 I1350 K1351 | D1343-T1347 WeakPolarHBondContact O-CB 3.48Å; D1343-T1347 PolarHBondContact O-N 3.19Å; D1343-T1347 PolarHBondContact O-OG1 3.4Å; Q1344-T1347 PolarHBondContact O-N 3.32Å; G1345-T1347 PolarHBondContact O-N 2.7Å; T1347-L1349 VanDerWaalsContact C-N 3.34Å; T1347-I1350 PolarHBondContact O-N 2.83Å; T1347-K1351 PolarHBondContact O-N 2.67Å; T1347-K1351 VanDerWaalsContact O-N 3.12Å |
| 1348 | S | 59 | Low | 64.5 | Low | 73 Ų | 73 | 84.6 Ų | 84.6 | 51% | 0.51 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 174 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | Q1344 G1345 K1346 S1352 | Q1344-S1348 PolarHBondContact O-N 2.93Å; Q1344-S1348 VanDerWaalsContact O-N 3.09Å; G1345-S1348 PolarHBondContact O-N 3.44Å; G1345-S1348 PolarHBondContact O-OG 2.94Å; K1346-S1348 PolarHBondContact O-N 2.82Å; S1348-S1352 PolarHBondContact O-N 3.18Å; S1348-S1352 PolarHBondContact O-OG 2.94Å |
| 1349 | L | 58.7 | Low | 63.1 | Low | 118 Ų | 118 | 83.9 Ų | 83.9 | 62% | 0.618 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.6 | -41.5 | 174.1 | -76.1 | 157.2 | 0 | 0 | 0 | 111.9 | G1345 K1346 T1347 S1352 F1353 | G1345-L1349 PolarHBondContact O-N 3.37Å; K1346-L1349 WeakPolarHBondContact O-CB 3.37Å; K1346-L1349 PolarHBondContact O-N 3.14Å; T1347-L1349 VanDerWaalsContact C-N 3.34Å; L1349-S1352 PolarHBondContact O-N 2.85Å; L1349-S1352 PolarHBondContact O-OG 3.2Å; L1349-F1353 PolarHBondContact O-N 3.22Å |
| 1350 | I | 57.6 | Low | 61.7 | Low | 116 Ų | 116 | 90.8 Ų | 90.8 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 178.8 | -64.6 | 165.9 | 0 | 0 | 0 | 111.4 | K1346 T1347 S1352 F1353 A1354 | K1346-I1350 WeakPolarHBondContact O-CG1 3.45Å; K1346-I1350 PolarHBondContact O-N 2.82Å; K1346-I1350 VanDerWaalsContact O-N 3.08Å; T1347-I1350 PolarHBondContact O-N 2.83Å; I1350-S1352 VanDerWaalsContact C-N 3.34Å; I1350-S1352 PolarHBondContact O-N 3.4Å; I1350-F1353 PolarHBondContact O-N 3.4Å; I1350-A1354 WeakPolarHBondContact O-CB 3.43Å; I1350-A1354 PolarHBondContact O-N 3.26Å |
| 1351 | K | 50.8 | Low | 60.3 | Low | 148 Ų | 148 | 95.2 Ų | 95.2 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | 176.6 | -78.6 | -178 | 177.7 | 176.7 | 0 | 112.3 | T1347 L1355 | T1347-K1351 PolarHBondContact O-N 2.67Å; T1347-K1351 VanDerWaalsContact O-N 3.12Å; K1351-L1355 PolarHBondContact O-N 2.85Å |
| 1352 | S | 56.6 | Low | 59 | Low | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.8 | -32.5 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | S1348 L1349 I1350 S1356 | S1348-S1352 PolarHBondContact O-N 3.18Å; S1348-S1352 PolarHBondContact O-OG 2.94Å; L1349-S1352 PolarHBondContact O-N 2.85Å; L1349-S1352 PolarHBondContact O-OG 3.2Å; I1350-S1352 VanDerWaalsContact C-N 3.34Å; I1350-S1352 PolarHBondContact O-N 3.4Å; S1352-S1356 PolarHBondContact O-N 3.01Å; S1352-S1356 PolarHBondContact O-OG 3.22Å; S1352-S1356 VanDerWaalsContact O-OG 3.06Å |
| 1353 | F | 51.7 | Low | 57.6 | Low | 162 Ų | 162 | 103.9 Ų | 103.9 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.9 | -41.8 | 176.6 | -153 | -91.4 | 0 | 0 | 0 | 112.6 | L1349 I1350 L1355 S1356 A1357 | L1349-F1353 PolarHBondContact O-N 3.22Å; I1350-F1353 PolarHBondContact O-N 3.4Å; F1353-L1355 PolarHBondContact O-N 3.15Å; F1353-S1356 PolarHBondContact O-N 3.29Å; F1353-A1357 WeakPolarHBondContact O-CB 3.49Å; F1353-A1357 PolarHBondContact O-N 2.82Å |
| 1354 | A | 51.3 | Low | 56 | Low | 47 Ų | 47 | 105.6 Ų | 105.6 | 39% | 0.388 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.5 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1350 S1356 A1357 M1358 | I1350-A1354 WeakPolarHBondContact O-CB 3.43Å; I1350-A1354 PolarHBondContact O-N 3.26Å; A1354-S1356 VanDerWaalsContact C-N 3.35Å; A1354-S1356 PolarHBondContact O-N 3.33Å; A1354-A1357 PolarHBondContact O-N 3.3Å; A1354-M1358 WeakPolarHBondContact O-CB 3.14Å; A1354-M1358 WeakPolarHBondContact O-CG 3.31Å; A1354-M1358 PolarHBondContact O-N 3.11Å |
| 1355 | L | 57.9 | Low | 54.1 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 69% | 0.686 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -38.6 | 173 | -94 | 149.7 | 0 | 0 | 0 | 112.3 | K1351 F1353 A1359 | K1351-L1355 PolarHBondContact O-N 2.85Å; F1353-L1355 PolarHBondContact O-N 3.15Å; L1355-A1359 WeakPolarHBondContact O-CB 3.43Å; L1355-A1359 PolarHBondContact O-N 3.49Å; L1355-A1359 VanDerWaalsContact O-N 3.11Å |
| 1356 | S | 56.3 | Low | 52.5 | Low | 68 Ų | 68 | 114.5 Ų | 114.5 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.7 | -33.2 | 176.7 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | S1352 F1353 A1354 R1360 | S1352-S1356 PolarHBondContact O-N 3.01Å; S1352-S1356 PolarHBondContact O-OG 3.22Å; S1352-S1356 VanDerWaalsContact O-OG 3.06Å; F1353-S1356 PolarHBondContact O-N 3.29Å; A1354-S1356 VanDerWaalsContact C-N 3.35Å; A1354-S1356 PolarHBondContact O-N 3.33Å; S1356-R1360 WeakPolarHBondContact O-CG 3.38Å; S1356-R1360 PolarHBondContact O-N 3.14Å |
| 1357 | A | 50.7 | Low | 50.9 | Low | 43 Ų | 43 | 116.4 Ų | 116.4 | 36% | 0.355 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.1 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1353 A1354 R1360 Q1361 | F1353-A1357 WeakPolarHBondContact O-CB 3.49Å; F1353-A1357 PolarHBondContact O-N 2.82Å; A1354-A1357 PolarHBondContact O-N 3.3Å; A1357-R1360 PolarHBondContact O-N 3.29Å; A1357-Q1361 PolarHBondContact O-N 3.44Å |
| 1358 | M | 53.3 | Low | 49.7 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.1 | -37.4 | 174.1 | -74.4 | -176.9 | 169.1 | 0 | 0 | 112.4 | A1354 R1360 Q1361 Q1362 | A1354-M1358 WeakPolarHBondContact O-CB 3.14Å; A1354-M1358 WeakPolarHBondContact O-CG 3.31Å; A1354-M1358 PolarHBondContact O-N 3.11Å; M1358-R1360 VanDerWaalsContact C-N 3.3Å; M1358-R1360 PolarHBondContact O-N 3.3Å; M1358-Q1361 PolarHBondContact O-N 3.22Å; M1358-Q1362 PolarHBondContact O-N 2.96Å |
| 1359 | A | 55.6 | Low | 48.6 | Very low | 56 Ų | 56 | 125.6 Ų | 125.6 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -66 | -30.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1355 | L1355-A1359 WeakPolarHBondContact O-CB 3.43Å; L1355-A1359 PolarHBondContact O-N 3.49Å; L1355-A1359 VanDerWaalsContact O-N 3.11Å |
| 1360 | R | 54.1 | Low | 47.3 | Very low | 205 Ų | 205 | 125.7 Ų | 125.7 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -78.7 | -33.3 | 176.4 | -75.2 | 179.6 | -177.2 | -176.1 | 1.7 | 113.3 | S1356 A1357 M1358 | S1356-R1360 WeakPolarHBondContact O-CG 3.38Å; S1356-R1360 PolarHBondContact O-N 3.14Å; A1357-R1360 PolarHBondContact O-N 3.29Å; M1358-R1360 VanDerWaalsContact C-N 3.3Å; M1358-R1360 PolarHBondContact O-N 3.3Å |
| 1361 | Q | 50.6 | Low | 46 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73 | -26 | 177.4 | -85 | 178.1 | -25.6 | 0 | 0 | 113.4 | A1357 M1358 Q1363 | A1357-Q1361 PolarHBondContact O-N 3.44Å; M1358-Q1361 PolarHBondContact O-N 3.22Å; Q1361-Q1363 PolarHBondContact O-N 3.09Å |
| 1362 | Q | 51 | Low | 44.9 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -8 | 177.4 | -76.1 | -179.5 | -9.3 | 0 | 0 | 114.7 | M1358 | M1358-Q1362 PolarHBondContact O-N 2.96Š|
| 1363 | Q | 49.9 | Very low | 43.5 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 0.5 | -178.5 | -71.9 | -174.4 | -14.1 | 0 | 0 | 115.4 | Q1361 | Q1361-Q1363 PolarHBondContact O-N 3.09Š|
| 1364 | A | 40.7 | Very low | 42.4 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -121.3 | 10.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1365 | G | 32.8 | Very low | 41.2 | Very low | 77 Ų | 77 | 137.9 Ų | 137.9 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -107.1 | 42 | -167.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1366 | Q | 34.3 | Very low | 39.8 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | -109.6 | 92.3 | 172.7 | -78.2 | -174.6 | -7.3 | 0 | 0 | 111.8 | ||||
| 1367 | N | 34.6 | Very low | 38.7 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -171.1 | 102.3 | 150.2 | -100.2 | -21 | 0 | 0 | 0 | 112.6 | ||||
| 1368 | K | 36 | Very low | 37.7 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 30.2 | 106.8 | 133.5 | -68.8 | 178.1 | 174.8 | 179 | 0 | 117.7 | ||||
| 1369 | N | 36 | Very low | 36.6 | Very low | 156 Ų | 156 | 146.8 Ų | 146.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | 90.5 | 119 | 73.5 | -80.6 | 4.4 | 0 | 0 | 0 | 114.7 | |||||
| 1370 | S | 31.5 | Very low | 35.4 | Very low | 120 Ų | 120 | 149.7 Ų | 149.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 75.1 | 83.3 | 153.5 | 69.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1371 | E | 30.6 | Very low | 34.2 | Very low | 180 Ų | 180 | 147 Ų | 147 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -158.9 | 119 | 141.2 | -99.5 | 176 | -172.6 | 0 | 0 | 103.8 | P1373 | E1371-P1373 WeakPolarHBondContact O-CD 3.49Å; E1371-P1373 WeakPolarHBondContact O-CG 3.04Å |
| 1372 | E | 27.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 147.5 Ų | 147.5 | 99% | 0.986 | 81% | 0.811 | S | S | * | * | trans | -60.4 | 114.7 | -171.9 | -71.4 | -179.9 | 155.9 | 0 | 0 | 111.8 | ||||
| 1373 | P | 27.4 | Very low | 32.1 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -119.4 | 148.6 | 172.8 | 21.8 | 2.9 | 0 | 0 | 0 | 111.2 | E1371 | E1371-P1373 WeakPolarHBondContact O-CD 3.49Å; E1371-P1373 WeakPolarHBondContact O-CG 3.04Å | ||
| 1374 | A | 27.9 | Very low | 31 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -31 | 129.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | D1376 | A1374-D1376 PolarHBondContact O-N 3.16Š| ||
| 1375 | E | 26.7 | Very low | 30.5 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -75.2 | 74.3 | 162.7 | -68.2 | -173.2 | 163.9 | 0 | 0 | 109.5 | ||||
| 1376 | D | 29.2 | Very low | 30.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -125.9 | 93.4 | 164 | -89.5 | -33.9 | 0 | 0 | 0 | 108 | A1374 | A1374-D1376 PolarHBondContact O-N 3.16Š| ||
| 1377 | A | 32 | Very low | 29.7 | Very low | 86 Ų | 86 | 146.2 Ų | 146.2 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -164.4 | 101 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1378 | D | 29.8 | Very low | 29.4 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | 43.9 | 81.7 | 142.7 | -58.7 | -24.5 | 0 | 0 | 0 | 119.2 | ||||
| 1379 | I | 30.2 | Very low | 29 | Very low | 158 Ų | 158 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -97.9 | 88.9 | 155.6 | -59.7 | 176.8 | 0 | 0 | 0 | 108.4 | ||||
| 1380 | V | 30.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | -96 | 101.8 | 170.4 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1381 | N | 29.4 | Very low | 28.6 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 145.5 | 71 | 156.8 | -77.4 | -36.1 | 0 | 0 | 0 | 111.8 | ||||
| 1382 | Q | 28.2 | Very low | 28.3 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -127.4 | 145 | 148 | -77.2 | -174.2 | 1.7 | 0 | 0 | 107.1 | G1384 | Q1382-G1384 PolarHBondContact O-N 2.9Š|
| 1383 | P | 28.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -66.7 | 104.1 | 179.7 | 28.9 | -30.3 | 0 | 0 | 0 | 107.2 | I1385 | P1383-I1385 PolarHBondContact O-N 3.17Š| ||
| 1384 | G | 27.8 | Very low | 28.3 | Very low | 72 Ų | 72 | 141.1 Ų | 141.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | -56.7 | 103.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1382 G1386 | Q1382-G1384 PolarHBondContact O-N 2.9Å; G1384-G1386 PolarHBondContact O-N 3.4Å | ||
| 1385 | I | 28.9 | Very low | 28.3 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -63.6 | 110.5 | 167.9 | -69.9 | 166.9 | 0 | 0 | 0 | 106.2 | P1383 | P1383-I1385 PolarHBondContact O-N 3.17Š|
| 1386 | G | 26.3 | Very low | 28.4 | Very low | 59 Ų | 59 | 139.1 Ų | 139.1 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 77 | 101.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G1384 T1388 | G1384-G1386 PolarHBondContact O-N 3.4Å; G1386-T1388 PolarHBondContact O-N 3.25Å |
| 1387 | R | 25.5 | Very low | 28.7 | Very low | 250 Ų | 250 | 135.9 Ų | 135.9 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | trans | -56.5 | 96.2 | 151.5 | -77.4 | 177.7 | 174 | 173.2 | -3.7 | 106.5 | R1389 | R1387-R1389 VanDerWaalsContact C-N 3.35Å; R1387-R1389 PolarHBondContact O-N 3.33Å | ||
| 1388 | T | 27.7 | Very low | 28.6 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | trans | -47.8 | 110 | 150.4 | 34.8 | 0 | 0 | 0 | 0 | 105 | G1386 A1390 | G1386-T1388 PolarHBondContact O-N 3.25Å; T1388-A1390 PolarHBondContact O-N 2.99Å | ||
| 1389 | R | 27.1 | Very low | 28.8 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | trans | -40.2 | 132.3 | 176.9 | -88.6 | 172.7 | 157.5 | 150.8 | -8.9 | 108.1 | R1387 Q1391 E1465 | R1387-R1389 VanDerWaalsContact C-N 3.35Å; R1387-R1389 PolarHBondContact O-N 3.33Å; R1389-Q1391 PolarHBondContact O-N 2.89Å; R1389-E1465 IonicContact NH1-OE1 3.01Å | ||
| 1390 | A | 29.3 | Very low | 29.2 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 84% | 0.835 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -38.8 | 111.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1388 D1392 | T1388-A1390 PolarHBondContact O-N 2.99Å; A1390-D1392 PolarHBondContact O-N 3.12Å |
| 1391 | Q | 29.9 | Very low | 29.3 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 85% | 0.846 | 65% | 0.653 | S | S | * | * | trans | 19.4 | 91.6 | 152.4 | -78.8 | 170.7 | -32.1 | 0 | 0 | 115.8 | R1389 E1393 | R1389-Q1391 PolarHBondContact O-N 2.89Å; Q1391-E1393 PolarHBondContact O-N 3.42Å | ||
| 1392 | D | 25.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 119 Ų | 119 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | 55.9 | 54.5 | 110.4 | -56.7 | -7.3 | 0 | 0 | 0 | 117.2 | A1390 W1394 | A1390-D1392 PolarHBondContact O-N 3.12Å; D1392-W1394 PolarHBondContact OD1-NE1 3.03Å | |||
| 1393 | E | 25.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 114.3 Ų | 114.3 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | trans | -103.7 | 62.4 | 142.4 | -83.8 | -176.9 | -176.8 | 0 | 0 | 108.6 | Q1391 N1395 | Q1391-E1393 PolarHBondContact O-N 3.42Å; E1393-N1395 PolarHBondContact O-N 3.39Å | ||
| 1394 | W | 28 | Very low | 31 | Very low | 169 Ų | 169 | 116 Ų | 116 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | trans | -72.5 | 109.1 | 169.5 | -64.5 | 33.8 | 0 | 0 | 0 | 105.9 | D1392 E1396 | D1392-W1394 PolarHBondContact OD1-NE1 3.03Å; W1394-E1396 VanDerWaalsContact C-N 3.34Å; W1394-E1396 PolarHBondContact O-N 3.29Å | ||
| 1395 | N | 28.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | trans | -64.1 | 105 | 160.8 | -97 | -12.5 | 0 | 0 | 0 | 106.4 | E1393 D1397 N1472 | E1393-N1395 PolarHBondContact O-N 3.39Å; N1395-D1397 PolarHBondContact O-N 2.88Å; N1395-N1472 PolarHBondContact ND2-ND2 3.14Å | ||
| 1396 | E | 27.9 | Very low | 32.6 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -59.4 | 56.9 | -176.8 | -59.6 | 172.9 | 153.8 | 0 | 0 | 114.6 | R444 W1394 | R444-E1396 PolarHBondContact NH2-O 3.28Å; W1394-E1396 VanDerWaalsContact C-N 3.34Å; W1394-E1396 PolarHBondContact O-N 3.29Å |
| 1397 | D | 35.4 | Very low | 33.7 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | trans | -125.2 | 8.5 | 178.9 | -87.4 | 1.7 | 0 | 0 | 0 | 114.1 | R444 N1395 G1399 | R444-D1397 IonicContact CZ-OD1 3.16Å; R444-D1397 IonicContact NE-OD1 3.52Å; R444-D1397 PolarHBondContact NE-OD1 2.91Å; R444-D1397 IonicContact NH2-OD1 3.29Å; R444-D1397 PolarHBondContact NH2-OD1 3.32Å; R444-D1397 VanDerWaalsContact NH2-OD1 3.12Å; N1395-D1397 PolarHBondContact O-N 2.88Å; D1397-G1399 PolarHBondContact O-N 3.27Å | ||
| 1398 | D | 30 | Very low | 34.8 | Very low | 61 Ų | 61 | 118 Ų | 118 | 33% | 0.326 | 57% | 0.568 | S | S | . | * | trans | -85.6 | 98.8 | 168.1 | -63.7 | -29.9 | 0 | 0 | 0 | 110.2 | H1400 | D1398-H1400 PolarHBondContact O-N 3.4Š| ||
| 1399 | G | 35.4 | Very low | 35.6 | Very low | 26 Ų | 26 | 116.7 Ų | 116.7 | 27% | 0.268 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.3 | -23.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1397 I1403 D1461 | D1397-G1399 PolarHBondContact O-N 3.27Å; G1399-I1403 WeakPolarHBondContact O-CB 3.27Å; G1399-I1403 WeakPolarHBondContact O-CD1 3.27Å; G1399-I1403 WeakPolarHBondContact O-CG1 3.45Å; G1399-I1403 PolarHBondContact O-N 3.26Å; G1399-D1461 WeakPolarHBondContact CA-OD2 3.45Å; G1399-D1461 PolarHBondContact N-OD2 3.17Å |
| 1400 | H | 37.4 | Very low | 36.6 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.6 | -45.8 | -173.9 | -86.8 | -77.4 | 0 | 0 | 0 | 114.8 | D1398 I1403 R1404 D1461 | D1398-H1400 PolarHBondContact O-N 3.4Å; H1400-I1403 PolarHBondContact O-N 2.91Å; H1400-R1404 WeakPolarHBondContact O-CB 3.46Å; H1400-R1404 PolarHBondContact O-N 3.26Å; H1400-D1461 IonicContact CD2-OD2 2.74Å; H1400-D1461 PolarHBondContact CD2-OD2 2.91Å; H1400-D1461 PolarHBondContact N-OD2 3.48Å |
| 1401 | E | 33.8 | Very low | 37.5 | Very low | 79 Ų | 79 | 111 Ų | 111 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -78.7 | -27.3 | 178.1 | -162.6 | 63 | -164 | 0 | 0 | 111.6 | R1404 R1405 | E1401-R1404 PolarHBondContact O-N 3.32Å; E1401-R1404 WeakPolarHBondContact OE2-CD 3.5Å; E1401-R1405 WeakPolarHBondContact O-CB 3.42Å; E1401-R1405 PolarHBondContact O-N 3Å |
| 1402 | A | 35.9 | Very low | 38.2 | Very low | 45 Ų | 45 | 105.1 Ų | 105.1 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1406 | A1402-R1406 VanDerWaalsContact O-CB 3.27Å; A1402-R1406 WeakPolarHBondContact O-CB 3.46Å; A1402-R1406 WeakPolarHBondContact O-CG 3.4Å; A1402-R1406 PolarHBondContact O-N 3.12Å |
| 1403 | I | 43.9 | Very low | 39.2 | Very low | 73 Ų | 73 | 107 Ų | 107 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 169.8 | -71.4 | 163 | 0 | 0 | 0 | 109.8 | G1399 H1400 R1407 | G1399-I1403 WeakPolarHBondContact O-CB 3.27Å; G1399-I1403 WeakPolarHBondContact O-CD1 3.27Å; G1399-I1403 WeakPolarHBondContact O-CG1 3.45Å; G1399-I1403 PolarHBondContact O-N 3.26Å; H1400-I1403 PolarHBondContact O-N 2.91Å; I1403-R1407 HydrophobicContact CG2-CG 4.35Å; I1403-R1407 VanDerWaalsContact O-CB 3.25Å; I1403-R1407 WeakPolarHBondContact O-CB 3.41Å; I1403-R1407 VanDerWaalsContact O-CG 3.28Å; I1403-R1407 WeakPolarHBondContact O-CG 3.35Å; I1403-R1407 PolarHBondContact O-N 2.94Å |
| 1404 | R | 41.9 | Very low | 40.2 | Very low | 156 Ų | 156 | 108.9 Ų | 108.9 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 175.4 | -154.3 | -179.1 | -147.6 | -169.4 | 5.1 | 111.8 | H1400 E1401 R1407 L1408 | H1400-R1404 WeakPolarHBondContact O-CB 3.46Å; H1400-R1404 PolarHBondContact O-N 3.26Å; E1401-R1404 PolarHBondContact O-N 3.32Å; E1401-R1404 WeakPolarHBondContact OE2-CD 3.5Å; R1404-R1407 PolarHBondContact O-N 3.42Å; R1404-L1408 HydrophobicContact CG-CD1 4.27Å; R1404-L1408 WeakPolarHBondContact O-CB 3.27Å; R1404-L1408 VanDerWaalsContact O-CG 3.26Å; R1404-L1408 WeakPolarHBondContact O-CG 3.48Å; R1404-L1408 PolarHBondContact O-N 3.05Å |
| 1405 | R | 41.5 | Very low | 40.8 | Very low | 155 Ų | 155 | 108.9 Ų | 108.9 | 59% | 0.585 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -47.4 | 171.5 | -88.5 | -173.1 | 175.8 | 142.7 | -0.4 | 111.6 | E1401 R1407 L1408 E1409 | E1401-R1405 WeakPolarHBondContact O-CB 3.42Å; E1401-R1405 PolarHBondContact O-N 3Å; R1405-R1407 VanDerWaalsContact C-N 3.31Å; R1405-R1407 PolarHBondContact O-N 2.98Å; R1405-L1408 CarbonylContact O-C 3.48Å; R1405-L1408 PolarHBondContact O-N 2.99Å; R1405-E1409 WeakPolarHBondContact O-CB 3.26Å; R1405-E1409 WeakPolarHBondContact O-CG 3.47Å; R1405-E1409 PolarHBondContact O-N 3.36Å |
| 1406 | R | 48.1 | Very low | 41.1 | Very low | 182 Ų | 182 | 110.2 Ų | 110.2 | 69% | 0.687 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -33.1 | 175.3 | -78.4 | -173.5 | -156.8 | 163.6 | 9.4 | 113.3 | A1402 A1410 | A1402-R1406 VanDerWaalsContact O-CB 3.27Å; A1402-R1406 WeakPolarHBondContact O-CB 3.46Å; A1402-R1406 WeakPolarHBondContact O-CG 3.4Å; A1402-R1406 PolarHBondContact O-N 3.12Å; R1406-A1410 WeakPolarHBondContact O-CB 3.38Å; R1406-A1410 PolarHBondContact O-N 3.49Å |
| 1407 | R | 49.2 | Very low | 41.4 | Very low | 149 Ų | 149 | 111 Ų | 111 | 56% | 0.562 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.5 | -40.8 | 173.4 | -81 | 179.5 | -179.6 | -174.1 | -3.3 | 111.2 | I1403 R1404 R1405 N1411 | I1403-R1407 HydrophobicContact CG2-CG 4.35Å; I1403-R1407 VanDerWaalsContact O-CB 3.25Å; I1403-R1407 WeakPolarHBondContact O-CB 3.41Å; I1403-R1407 VanDerWaalsContact O-CG 3.28Å; I1403-R1407 WeakPolarHBondContact O-CG 3.35Å; I1403-R1407 PolarHBondContact O-N 2.94Å; R1404-R1407 PolarHBondContact O-N 3.42Å; R1405-R1407 VanDerWaalsContact C-N 3.31Å; R1405-R1407 PolarHBondContact O-N 2.98Å; R1407-N1411 VanDerWaalsContact O-CB 3.25Å; R1407-N1411 WeakPolarHBondContact O-CB 3.35Å; R1407-N1411 PolarHBondContact O-N 3Å; R1407-N1411 PolarHBondContact O-OD1 3.14Å |
| 1408 | L | 48.7 | Very low | 41.4 | Very low | 113 Ų | 113 | 113.8 Ų | 113.8 | 59% | 0.592 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.9 | -35.3 | 176.1 | -71.5 | 166.3 | 0 | 0 | 0 | 112 | R1404 R1405 A1412 | R1404-L1408 HydrophobicContact CG-CD1 4.27Å; R1404-L1408 WeakPolarHBondContact O-CB 3.27Å; R1404-L1408 VanDerWaalsContact O-CG 3.26Å; R1404-L1408 WeakPolarHBondContact O-CG 3.48Å; R1404-L1408 PolarHBondContact O-N 3.05Å; R1405-L1408 CarbonylContact O-C 3.48Å; R1405-L1408 PolarHBondContact O-N 2.99Å; L1408-A1412 WeakPolarHBondContact O-CB 3.11Å; L1408-A1412 PolarHBondContact O-N 3.31Å |
| 1409 | E | 45.5 | Very low | 41.3 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 50% | 0.5 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73 | -42 | 174.8 | -72.7 | 166.9 | -176.3 | 0 | 0 | 110.9 | R1405 A1412 E1413 | R1405-E1409 WeakPolarHBondContact O-CB 3.26Å; R1405-E1409 WeakPolarHBondContact O-CG 3.47Å; R1405-E1409 PolarHBondContact O-N 3.36Å; E1409-A1412 PolarHBondContact O-N 3.42Å; E1409-E1413 WeakPolarHBondContact O-CB 3.45Å; E1409-E1413 WeakPolarHBondContact O-CG 3.39Å; E1409-E1413 PolarHBondContact O-N 3.11Å |
| 1410 | A | 48.5 | Very low | 41.2 | Very low | 50 Ų | 50 | 119.5 Ų | 119.5 | 41% | 0.413 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1406 A1412 E1413 E1414 | R1406-A1410 WeakPolarHBondContact O-CB 3.38Å; R1406-A1410 PolarHBondContact O-N 3.49Å; A1410-A1412 VanDerWaalsContact C-N 3.34Å; A1410-E1413 PolarHBondContact O-N 3.34Å; A1410-E1414 PolarHBondContact O-N 2.96Å |
| 1411 | N | 46.4 | Very low | 41 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 57% | 0.572 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.6 | -28.9 | 173.7 | -71 | 3.5 | 0 | 0 | 0 | 112.1 | R1407 | R1407-N1411 VanDerWaalsContact O-CB 3.25Å; R1407-N1411 WeakPolarHBondContact O-CB 3.35Å; R1407-N1411 PolarHBondContact O-N 3Å; R1407-N1411 PolarHBondContact O-OD1 3.14Å |
| 1412 | A | 46 | Very low | 41 | Very low | 58 Ų | 58 | 123.9 Ų | 123.9 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76.4 | -27.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1408 E1409 A1410 | L1408-A1412 WeakPolarHBondContact O-CB 3.11Å; L1408-A1412 PolarHBondContact O-N 3.31Å; E1409-A1412 PolarHBondContact O-N 3.42Å; A1410-A1412 VanDerWaalsContact C-N 3.34Å |
| 1413 | E | 45.4 | Very low | 40.8 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.7 | -17.7 | 177.5 | -75.4 | -178.1 | 179.3 | 0 | 0 | 113.6 | E1409 A1410 | E1409-E1413 WeakPolarHBondContact O-CB 3.45Å; E1409-E1413 WeakPolarHBondContact O-CG 3.39Å; E1409-E1413 PolarHBondContact O-N 3.11Å; A1410-E1413 PolarHBondContact O-N 3.34Å |
| 1414 | E | 46.6 | Very low | 40.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -90 | -13 | 176.6 | -73.7 | -170.4 | 167.4 | 0 | 0 | 114.7 | A1410 | A1410-E1414 PolarHBondContact O-N 2.96Å |
| 1415 | E | 40.2 | Very low | 39.7 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.2 | -10.5 | 178.4 | -71.2 | -169.1 | 164.2 | 0 | 0 | 114.9 | I1417 | E1415-I1417 PolarHBondContact O-N 3.07Š|
| 1416 | D | 34.5 | Very low | 39.2 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | -103.9 | 58.4 | -177 | -84.7 | -22.1 | 0 | 0 | 0 | 113.7 | ||||
| 1417 | I | 36 | Very low | 38.3 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -134.5 | 67 | 159.7 | -48.9 | 177.3 | 0 | 0 | 0 | 109.6 | E1415 | E1415-I1417 PolarHBondContact O-N 3.07Š| ||
| 1418 | T | 34.9 | Very low | 37.5 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 87% | 0.871 | 73% | 0.73 | S | S | * | * | trans | -160.1 | 110.3 | 146.4 | 36.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1419 | C | 28.3 | Very low | 36.4 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | trans | -7.7 | 130.6 | 159.1 | -155.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1420 | G | 33.1 | Very low | 35.6 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | 121.8 | 94.8 | 127.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1421 | N | 32.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 121.4 | 134.6 | -113.6 | -4 | 0 | 0 | 0 | 122.7 | ||||
| 1422 | N | 33 | Very low | 34.1 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | trans | 86.9 | 108.6 | 139.6 | -68.3 | -35.3 | 0 | 0 | 0 | 122.9 | ||||
| 1423 | N | 32 | Very low | 33.4 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | 61.8 | 108.4 | 126.1 | -73.3 | -33.4 | 0 | 0 | 0 | 121.1 | |||||
| 1424 | R | 32.3 | Very low | 32.7 | Very low | 244 Ų | 244 | 153.9 Ų | 153.9 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | 163.9 | 116 | 112.2 | -91.4 | 170.6 | 174 | -179.8 | -1.3 | 115.3 | |||||
| 1425 | R | 31.7 | Very low | 31.9 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 10.1 | 127.7 | 142 | -67.8 | 178.7 | 172 | 171 | -2.6 | 122.4 | ||||
| 1426 | K | 29.7 | Very low | 31.4 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | 42.8 | 113.5 | 127.4 | -68.9 | -175.8 | 176.1 | 179.4 | 0 | 120.4 | |||||
| 1427 | N | 30.7 | Very low | 31.3 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | 167.3 | 135.5 | 117.2 | -87.8 | -13.4 | 0 | 0 | 0 | 112 | |||||
| 1428 | G | 30.4 | Very low | 31.2 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 96.2 | 109.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1429 | T | 26.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 34.7 | 135.4 | 132 | 50.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1430 | D | 29.4 | Very low | 31.5 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 85.2 | 116.3 | 164 | -54.3 | -24.9 | 0 | 0 | 0 | 115.6 | ||||
| 1431 | L | 32.8 | Very low | 31.6 | Very low | 160 Ų | 160 | 154.1 Ų | 154.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 155.9 | 79.9 | 140.1 | -87.2 | 140.7 | 0 | 0 | 0 | 110.6 | ||||
| 1432 | D | 28.9 | Very low | 31.8 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -64.7 | 126.5 | 136 | -73.3 | -39.9 | 0 | 0 | 0 | 106.6 | ||||
| 1433 | E | 31.8 | Very low | 31.9 | Very low | 172 Ų | 172 | 158.8 Ų | 158.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 158.3 | 143.3 | 149.6 | -91.3 | 174.2 | -173.2 | 0 | 0 | 110.6 | ||||
| 1434 | L | 30.5 | Very low | 32.2 | Very low | 171 Ų | 171 | 157.1 Ų | 157.1 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 90.3 | 95.2 | -171.1 | -55.5 | 151.7 | 0 | 0 | 0 | 110.7 | ||||
| 1435 | V | 30.5 | Very low | 32.3 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | -145.3 | 111.4 | 62.2 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L1437 | V1435-L1437 HydrophobicContact CG1-CB 3.91Å; V1435-L1437 HydrophobicContact CG1-CD1 3.82Å; V1435-L1437 HydrophobicContact CG1-CG 3.58Å | |||
| 1436 | D | 30.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -66.3 | 112.2 | 146.9 | -80.2 | -43.6 | 0 | 0 | 0 | 107.6 | ||||
| 1437 | L | 32 | Very low | 32.2 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -147.7 | 101.1 | 156.8 | -79.2 | -179.4 | 0 | 0 | 0 | 108.2 | V1435 | V1435-L1437 HydrophobicContact CG1-CB 3.91Å; V1435-L1437 HydrophobicContact CG1-CD1 3.82Å; V1435-L1437 HydrophobicContact CG1-CG 3.58Å | ||
| 1438 | D | 34.6 | Very low | 32.3 | Very low | 134 Ų | 134 | 129 Ų | 129 | 72% | 0.717 | 70% | 0.697 | S | S | * | * | trans | 25.4 | 113.7 | 147 | -57.8 | -35.9 | 0 | 0 | 0 | 118.3 | D1440 | D1438-D1440 PolarHBondContact O-N 3.15Š| ||
| 1439 | L | 32.3 | Very low | 32.4 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | trans | -58.7 | 83 | 150.2 | -72 | 157.6 | 0 | 0 | 0 | 109 | ||||
| 1440 | D | 36.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | trans | -134.3 | 106.3 | 156.5 | -80.6 | -36.5 | 0 | 0 | 0 | 106.5 | D1438 E1442 | D1438-D1440 PolarHBondContact O-N 3.15Å; D1440-E1442 PolarHBondContact O-N 3.39Å | ||
| 1441 | D | 35.6 | Very low | 33 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | trans | -70.5 | 59.2 | -172 | -65.5 | -44.3 | 0 | 0 | 0 | 113.8 | ||||
| 1442 | E | 37 | Very low | 33.1 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 76% | 0.757 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -91.6 | -15.1 | 172.5 | -83.3 | -169.3 | 162.6 | 0 | 0 | 114.1 | D1440 | D1440-E1442 PolarHBondContact O-N 3.39Š|
| 1443 | Y | 34.3 | Very low | 33.2 | Very low | 203 Ų | 203 | 121.6 Ų | 121.6 | 80% | 0.796 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -107.3 | -18.5 | 179.6 | -71.3 | -83.9 | 0 | 0 | 0 | 114.7 | A1445 | Y1443-A1445 PolarHBondContact O-N 3.23Š|
| 1444 | D | 39.6 | Very low | 33.1 | Very low | 103 Ų | 103 | 114.2 Ų | 114.2 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74 | -12.8 | 166.2 | -91.8 | -22.4 | 0 | 0 | 0 | 111.8 | E1446 A1447 A1448 | D1444-E1446 VanDerWaalsContact C-N 3.33Å; D1444-E1446 PolarHBondContact O-N 3.43Å; D1444-A1447 PolarHBondContact O-N 2.93Å; D1444-A1448 WeakPolarHBondContact O-CA 3.36Å; D1444-A1448 WeakPolarHBondContact O-CB 3.23Å; D1444-A1448 PolarHBondContact O-N 2.76Å |
| 1445 | A | 34.4 | Very low | 33.1 | Very low | 45 Ų | 45 | 109.8 Ų | 109.8 | 37% | 0.372 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.6 | -32.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1443 E1449 | Y1443-A1445 PolarHBondContact O-N 3.23Å; A1445-E1449 WeakPolarHBondContact O-CA 3.17Å; A1445-E1449 WeakPolarHBondContact O-CB 3.38Å; A1445-E1449 WeakPolarHBondContact O-CG 3.47Å; A1445-E1449 PolarHBondContact O-N 2.95Å |
| 1446 | E | 28.7 | Very low | 33 | Very low | 138 Ų | 138 | 108.4 Ų | 108.4 | 65% | 0.645 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -81.3 | -31.6 | 179 | -127.8 | 176.8 | -172.7 | 0 | 0 | 111.9 | D1444 L1450 | D1444-E1446 VanDerWaalsContact C-N 3.33Å; D1444-E1446 PolarHBondContact O-N 3.43Å; E1446-L1450 WeakPolarHBondContact O-CB 3.39Å; E1446-L1450 WeakPolarHBondContact O-CG 3.48Å; E1446-L1450 PolarHBondContact O-N 3.19Å |
| 1447 | A | 30.5 | Very low | 32.9 | Very low | 32 Ų | 32 | 108.4 Ų | 108.4 | 26% | 0.264 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.6 | -31.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | D1444 H1451 | D1444-A1447 PolarHBondContact O-N 2.93Å; A1447-H1451 WeakPolarHBondContact O-CB 3.5Å; A1447-H1451 PolarHBondContact O-N 2.84Å; A1447-H1451 VanDerWaalsContact O-N 3.16Å |
| 1448 | A | 32.6 | Very low | 32.9 | Very low | 36 Ų | 36 | 105.3 Ų | 105.3 | 30% | 0.298 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.9 | -39.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1444 L1450 H1451 E1452 | D1444-A1448 WeakPolarHBondContact O-CA 3.36Å; D1444-A1448 WeakPolarHBondContact O-CB 3.23Å; D1444-A1448 PolarHBondContact O-N 2.76Å; A1448-L1450 VanDerWaalsContact C-N 3.34Å; A1448-L1450 PolarHBondContact O-N 3.12Å; A1448-H1451 CarbonylContact O-C 3.6Å; A1448-H1451 VanDerWaalsContact O-CA 3.26Å; A1448-H1451 WeakPolarHBondContact O-CA 3.28Å; A1448-H1451 VanDerWaalsContact O-CB 3.27Å; A1448-H1451 WeakPolarHBondContact O-CB 3.33Å; A1448-H1451 PolarHBondContact O-N 3.2Å; A1448-E1452 WeakPolarHBondContact O-CB 3.44Å; A1448-E1452 VanDerWaalsContact O-CG 3.23Å; A1448-E1452 WeakPolarHBondContact O-CG 3.19Å; A1448-E1452 PolarHBondContact O-N 3.39Å |
| 1449 | E | 31.7 | Very low | 32.6 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 173.7 | -85.5 | -179.8 | 168.4 | 0 | 0 | 110.8 | A1445 H1451 E1452 I1453 | A1445-E1449 WeakPolarHBondContact O-CA 3.17Å; A1445-E1449 WeakPolarHBondContact O-CB 3.38Å; A1445-E1449 WeakPolarHBondContact O-CG 3.47Å; A1445-E1449 PolarHBondContact O-N 2.95Å; E1449-H1451 PolarHBondContact O-N 3.3Å; E1449-E1452 PolarHBondContact O-N 3.49Å; E1449-I1453 HydrophobicContact CB-CD1 4.14Å; E1449-I1453 WeakPolarHBondContact O-CB 3.18Å; E1449-I1453 WeakPolarHBondContact O-CD1 3.45Å; E1449-I1453 WeakPolarHBondContact O-CG1 3.44Å; E1449-I1453 PolarHBondContact O-N 2.85Å |
| 1450 | L | 33.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 97.2 Ų | 97.2 | 68% | 0.681 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.1 | -18.8 | 169.7 | -75.1 | 168.1 | 0 | 0 | 0 | 113.3 | E1446 A1448 | E1446-L1450 WeakPolarHBondContact O-CB 3.39Å; E1446-L1450 WeakPolarHBondContact O-CG 3.48Å; E1446-L1450 PolarHBondContact O-N 3.19Å; A1448-L1450 VanDerWaalsContact C-N 3.34Å; A1448-L1450 PolarHBondContact O-N 3.12Å |
| 1451 | H | 35.9 | Very low | 32.4 | Very low | 78 Ų | 78 | 92.1 Ų | 92.1 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -87.5 | -26.8 | 172.8 | -121.6 | -72.5 | 0 | 0 | 0 | 113.8 | A1447 A1448 E1449 K1459 | A1447-H1451 WeakPolarHBondContact O-CB 3.5Å; A1447-H1451 PolarHBondContact O-N 2.84Å; A1447-H1451 VanDerWaalsContact O-N 3.16Å; A1448-H1451 CarbonylContact O-C 3.6Å; A1448-H1451 VanDerWaalsContact O-CA 3.26Å; A1448-H1451 WeakPolarHBondContact O-CA 3.28Å; A1448-H1451 VanDerWaalsContact O-CB 3.27Å; A1448-H1451 WeakPolarHBondContact O-CB 3.33Å; A1448-H1451 PolarHBondContact O-N 3.2Å; E1449-H1451 PolarHBondContact O-N 3.3Å; H1451-K1459 VanDerWaalsContact CE1-CD 3.44Å; H1451-K1459 WeakPolarHBondContact CE1-CD 3.38Å; H1451-K1459 WeakPolarHBondContact CE1-CE 3.37Å; H1451-K1459 PolarHBondContact CE1-NZ 3.37Å; H1451-K1459 VanDerWaalsContact CE1-NZ 3.26Å; H1451-K1459 WeakPolarHBondContact NE2-CE 3.35Å; H1451-K1459 PolarHBondContact NE2-NZ 3.45Å |
| 1452 | E | 34.6 | Very low | 32 | Very low | 67 Ų | 67 | 87.9 Ų | 87.9 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -96.2 | -25.5 | -175.1 | -75.4 | -174.3 | 156.5 | 0 | 0 | 111.6 | R463 A1448 E1449 G1454 | R463-E1452 PolarHBondContact NE-O 3.31Å; R463-E1452 PolarHBondContact NH1-O 3.19Å; R463-E1452 VanDerWaalsContact NH2-CG 3.32Å; R463-E1452 PolarHBondContact NH2-O 2.85Å; A1448-E1452 WeakPolarHBondContact O-CB 3.44Å; A1448-E1452 VanDerWaalsContact O-CG 3.23Å; A1448-E1452 WeakPolarHBondContact O-CG 3.19Å; A1448-E1452 PolarHBondContact O-N 3.39Å; E1449-E1452 PolarHBondContact O-N 3.49Å; E1452-G1454 PolarHBondContact O-N 3.42Å |
| 1453 | I | 30.6 | Very low | 31.7 | Very low | 126 Ų | 126 | 84.8 Ų | 84.8 | 65% | 0.646 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -89.6 | 1.1 | -179.8 | -61.4 | 168.2 | 0 | 0 | 0 | 112.6 | E1449 | E1449-I1453 HydrophobicContact CB-CD1 4.14Å; E1449-I1453 WeakPolarHBondContact O-CB 3.18Å; E1449-I1453 WeakPolarHBondContact O-CD1 3.45Å; E1449-I1453 WeakPolarHBondContact O-CG1 3.44Å; E1449-I1453 PolarHBondContact O-N 2.85Å |
| 1454 | G | 30.5 | Very low | 31.6 | Very low | 17 Ų | 17 | 76.9 Ų | 76.9 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -105.8 | 106.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E1452 D1456 | E1452-G1454 PolarHBondContact O-N 3.42Å; G1454-D1456 PolarHBondContact O-N 2.78Å |
| 1455 | Q | 29.6 | Very low | 31.1 | Very low | 77 Ų | 77 | 79.2 Ų | 79.2 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -46.5 | 128.4 | 167.4 | -77.6 | 157.9 | -50.9 | 0 | 0 | 112.1 | R457 | R457-Q1455 HydrophobicContact CB-CG 4.48Å; R457-Q1455 VanDerWaalsContact CB-NE2 3.34Å; R457-Q1455 HydrophobicContact CG-CB 3.81Å; R457-Q1455 HydrophobicContact CG-CG 4.06Å |
| 1456 | D | 28 | Very low | 31 | Very low | 90 Ų | 90 | 84 Ų | 84 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | trans | 22.2 | 86.3 | 179.9 | -66.9 | -22.3 | 0 | 0 | 0 | 115.9 | Q576 G1454 | Q576-D1456 PolarHBondContact NE2-OD1 2.86Å; G1454-D1456 PolarHBondContact O-N 2.78Å | ||
| 1457 | R | 29 | Very low | 31 | Very low | 165 Ų | 165 | 82 Ų | 82 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | trans | -92.9 | 100.7 | 150.7 | -74.5 | -177 | 171.6 | 171.4 | -1.1 | 108 | K1459 | R1457-K1459 PolarHBondContact O-N 3.01Š| ||
| 1458 | D | 32.4 | Very low | 30.9 | Very low | 79 Ų | 79 | 86.2 Ų | 86.2 | 42% | 0.422 | 44% | 0.436 | S | S | . | . | trans | -60.4 | 85.5 | 161.2 | -78.7 | -17.9 | 0 | 0 | 0 | 109 | R450 D1460 | R450-D1458 IonicContact CZ-OD2 2.74Å; R450-D1458 IonicContact NE-OD2 3.35Å; R450-D1458 IonicContact NH2-OD2 2.88Å; R450-D1458 PolarHBondContact NH2-OD2 2.75Å; D1458-D1460 VanDerWaalsContact C-N 3.32Å; D1458-D1460 PolarHBondContact O-N 2.9Å; D1458-D1460 VanDerWaalsContact O-N 3.09Å | ||
| 1459 | K | 27.7 | Very low | 30.8 | Very low | 103 Ų | 103 | 91.7 Ų | 91.7 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | trans | -75.8 | 83.6 | 165.7 | -90 | -169.9 | 162.5 | 175.6 | 0 | 109.5 | H1451 R1457 | H1451-K1459 VanDerWaalsContact CE1-CD 3.44Å; H1451-K1459 WeakPolarHBondContact CE1-CD 3.38Å; H1451-K1459 WeakPolarHBondContact CE1-CE 3.37Å; H1451-K1459 PolarHBondContact CE1-NZ 3.37Å; H1451-K1459 VanDerWaalsContact CE1-NZ 3.26Å; H1451-K1459 WeakPolarHBondContact NE2-CE 3.35Å; H1451-K1459 PolarHBondContact NE2-NZ 3.45Å; R1457-K1459 PolarHBondContact O-N 3.01Å | ||
| 1460 | D | 31.9 | Very low | 30.7 | Very low | 28 Ų | 28 | 92.1 Ų | 92.1 | 15% | 0.15 | 47% | 0.466 | C | S | . | . | trans | -128.7 | 66.8 | 165.3 | -84.5 | -26.6 | 0 | 0 | 0 | 109.4 | K445 G1022 Y1023 D1458 | K445-D1460 VanDerWaalsContact CE-O 3.27Å; K445-D1460 WeakPolarHBondContact CE-O 3.47Å; K445-D1460 PolarHBondContact NZ-O 2.84Å; G1022-D1460 VanDerWaalsContact C-OD2 3.26Å; Y1023-D1460 PolarHBondContact N-OD2 3.11Å; D1458-D1460 VanDerWaalsContact C-N 3.32Å; D1458-D1460 PolarHBondContact O-N 2.9Å; D1458-D1460 VanDerWaalsContact O-N 3.09Å | ||
| 1461 | D | 32 | Very low | 30.3 | Very low | 26 Ų | 26 | 87.9 Ų | 87.9 | 14% | 0.139 | 45% | 0.453 | C | S | . | . | trans | -73.9 | 128.2 | 169.5 | -72.2 | -13.1 | 0 | 0 | 0 | 108.5 | K445 G1399 H1400 D1463 | K445-D1461 VanDerWaalsContact NZ-N 3.19Å; K445-D1461 IonicContact NZ-OD1 3.73Å; K445-D1461 PolarHBondContact NZ-OD1 3.27Å; G1399-D1461 WeakPolarHBondContact CA-OD2 3.45Å; G1399-D1461 PolarHBondContact N-OD2 3.17Å; H1400-D1461 IonicContact CD2-OD2 2.74Å; H1400-D1461 PolarHBondContact CD2-OD2 2.91Å; H1400-D1461 PolarHBondContact N-OD2 3.48Å; D1461-D1463 PolarHBondContact O-N 2.81Å | ||
| 1462 | G | 28 | Very low | 29.8 | Very low | 35 Ų | 35 | 88.8 Ų | 88.8 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | trans | -95.1 | 85.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1464 | G1462-D1464 VanDerWaalsContact C-N 3.35Å; G1462-D1464 PolarHBondContact O-N 3.09Å | ||
| 1463 | D | 29.7 | Very low | 29.3 | Very low | 98 Ų | 98 | 93.4 Ų | 93.4 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | trans | -74.3 | 93.6 | 166.5 | -72.6 | -30.1 | 0 | 0 | 0 | 109.3 | D1461 | D1461-D1463 PolarHBondContact O-N 2.81Š| ||
| 1464 | D | 33.4 | Very low | 29.1 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 20% | 0.198 | 49% | 0.49 | C | S | . | . | trans | -102.2 | 103.8 | -179.3 | -87.9 | -36.7 | 0 | 0 | 0 | 111 | R1238 G1462 Q1466 Q1467 | R1238-D1464 IonicContact CZ-OD1 3.6Å; R1238-D1464 IonicContact NH1-OD1 3.65Å; R1238-D1464 IonicContact NH2-OD1 3.73Å; R1238-D1464 PolarHBondContact NH2-OD1 3.48Å; G1462-D1464 VanDerWaalsContact C-N 3.35Å; G1462-D1464 PolarHBondContact O-N 3.09Å; D1464-Q1466 PolarHBondContact O-N 3.11Å; D1464-Q1467 HydrophobicContact CB-CB 3.33Å; D1464-Q1467 HydrophobicContact CB-CG 3.43Å; D1464-Q1467 VanDerWaalsContact CB-CG 3.43Å; D1464-Q1467 PolarHBondContact O-N 3.17Å; D1464-Q1467 WeakPolarHBondContact OD2-CG 3.29Å; D1464-Q1467 PolarHBondContact OD2-NE2 2.85Å | ||
| 1465 | E | 28.5 | Very low | 28.7 | Very low | 151 Ų | 151 | 101.6 Ų | 101.6 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 15.6 | 157.2 | -70.6 | -162.7 | 128.1 | 0 | 0 | 112.6 | R1389 | R1389-E1465 IonicContact NH1-OE1 3.01Š|
| 1466 | Q | 32.1 | Very low | 28.5 | Very low | 147 Ų | 147 | 106.4 Ų | 106.4 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 14 | 169 | -71.8 | -177.4 | -12.8 | 0 | 0 | 113.4 | D1464 D1468 | D1464-Q1466 PolarHBondContact O-N 3.11Å; Q1466-D1468 VanDerWaalsContact C-N 3.32Å |
| 1467 | Q | 29.1 | Very low | 28.5 | Very low | 96 Ų | 96 | 107.1 Ų | 107.1 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -84.3 | -7 | 169.9 | -100.5 | 177 | 19 | 0 | 0 | 112.9 | D1464 D1469 N1470 G1471 | D1464-Q1467 HydrophobicContact CB-CB 3.33Å; D1464-Q1467 HydrophobicContact CB-CG 3.43Å; D1464-Q1467 VanDerWaalsContact CB-CG 3.43Å; D1464-Q1467 PolarHBondContact O-N 3.17Å; D1464-Q1467 WeakPolarHBondContact OD2-CG 3.29Å; D1464-Q1467 PolarHBondContact OD2-NE2 2.85Å; Q1467-D1469 PolarHBondContact O-N 3.4Å; Q1467-N1470 CarbonylContact O-C 3.58Å; Q1467-N1470 WeakPolarHBondContact O-CA 3.44Å; Q1467-N1470 PolarHBondContact O-N 2.72Å; Q1467-G1471 PolarHBondContact O-N 2.88Å |
| 1468 | D | 27.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 103 Ų | 103 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -69.3 | -8.2 | 175 | -78.4 | -16 | 0 | 0 | 0 | 113.7 | Q1466 | Q1466-D1468 VanDerWaalsContact C-N 3.32Š|
| 1469 | D | 32.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 106 Ų | 106 | 81% | 0.807 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -92.4 | 0.5 | 165.3 | -90.6 | -16.3 | 0 | 0 | 0 | 113.6 | Q1467 | Q1467-D1469 PolarHBondContact O-N 3.4Š|
| 1470 | N | 28.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 103.8 Ų | 103.8 | 61% | 0.61 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -114.6 | 16.3 | 171.1 | -77.3 | -36.9 | 0 | 0 | 0 | 112.9 | Q1467 | Q1467-N1470 CarbonylContact O-C 3.58Å; Q1467-N1470 WeakPolarHBondContact O-CA 3.44Å; Q1467-N1470 PolarHBondContact O-N 2.72Å |
| 1471 | G | 24.7 | Very low | 28 | Very low | 41 Ų | 41 | 107.5 Ų | 107.5 | 42% | 0.423 | 55% | 0.554 | S | S | . | * | trans | -56.7 | 133 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1467 K1473 | Q1467-G1471 PolarHBondContact O-N 2.88Å; G1471-K1473 VanDerWaalsContact C-N 3.29Å; G1471-K1473 PolarHBondContact O-N 2.56Å | ||
| 1472 | N | 25.7 | Very low | 27.9 | Very low | 97 Ų | 97 | 109.6 Ų | 109.6 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -58 | 73.4 | -175.5 | -75.4 | -49.3 | 0 | 0 | 0 | 114.1 | N1395 | N1395-N1472 PolarHBondContact ND2-ND2 3.14Š|
| 1473 | K | 24.5 | Very low | 28.1 | Very low | 165 Ų | 165 | 109.5 Ų | 109.5 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | trans | -161.5 | 48.7 | 170 | -123.5 | 168.6 | -165.4 | 153.5 | 0 | 114.1 | G1471 | G1471-K1473 VanDerWaalsContact C-N 3.29Å; G1471-K1473 PolarHBondContact O-N 2.56Å | ||
| 1474 | W | 25.6 | Very low | 28.2 | Very low | 225 Ų | 225 | 110.9 Ų | 110.9 | 85% | 0.852 | 57% | 0.566 | S | S | * | * | trans | -118.4 | 99.1 | 170.8 | -71.1 | 63.9 | 0 | 0 | 0 | 110.4 | W1476 | W1474-W1476 PolarHBondContact O-N 2.87Å; W1474-W1476 VanDerWaalsContact O-N 3.16Å | ||
| 1475 | P | 23 | Very low | 28.2 | Very low | 90 Ų | 90 | 115 Ų | 115 | 58% | 0.584 | 59% | 0.588 | S | S | * | * | trans | -71 | 108.8 | 165.3 | 29 | -26.8 | 0 | 0 | 0 | 107.4 | N1477 | P1475-N1477 PolarHBondContact O-N 3.37Š| ||
| 1476 | W | 25.2 | Very low | 28.3 | Very low | 178 Ų | 178 | 113.6 Ų | 113.6 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 31.3 | 89.1 | 153.1 | -59.3 | 90.3 | 0 | 0 | 0 | 115.7 | K96 W1474 | K96-W1476 VanDerWaalsContact NZ-CE2 3.3Å; W1474-W1476 PolarHBondContact O-N 2.87Å; W1474-W1476 VanDerWaalsContact O-N 3.16Å |
| 1477 | N | 27 | Very low | 28.3 | Very low | 104 Ų | 104 | 114.6 Ų | 114.6 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | trans | -152.5 | 91.1 | 162.6 | -93 | -24.4 | 0 | 0 | 0 | 111.5 | R154 P1475 | R154-N1477 VanDerWaalsContact CZ-OD1 3.23Å; R154-N1477 PolarHBondContact NE-OD1 3.4Å; R154-N1477 VanDerWaalsContact NH2-CG 3.28Å; R154-N1477 PolarHBondContact NH2-OD1 3.15Å; P1475-N1477 PolarHBondContact O-N 3.37Å | ||
| 1478 | E | 28 | Very low | 28.6 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | trans | -60.3 | 135.2 | 161 | -71 | 149 | -168.5 | 0 | 0 | 109.7 | Q150 R154 | Q150-E1478 PolarHBondContact OE1-OE1 3.43Å; R154-E1478 PolarHBondContact NH1-O 3.43Å; R154-E1478 PolarHBondContact NH2-O 3.42Å | ||
| 1479 | L | 26.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 117.9 Ų | 117.9 | 75% | 0.749 | 61% | 0.605 | S | S | * | * | trans | -111.7 | 102.2 | 153.3 | -86.5 | 143.3 | 0 | 0 | 0 | 103.5 | S1483 | L1479-S1483 VanDerWaalsContact CD2-OG 3.25Å; L1479-S1483 WeakPolarHBondContact CD2-OG 3.27Å | ||
| 1480 | S | 27 | Very low | 28.3 | Very low | 57 Ų | 57 | 114.1 Ų | 114.1 | 40% | 0.399 | 60% | 0.602 | S | S | . | * | trans | -56.5 | 147.9 | 173.4 | 58.2 | 0 | 0 | 0 | 0 | 109.1 | S1482 S1483 | S1480-S1482 PolarHBondContact O-N 2.87Å; S1480-S1483 PolarHBondContact O-N 3.18Å; S1480-S1483 PolarHBondContact O-OG 3.42Å | ||
| 1481 | P | 28.8 | Very low | 28.4 | Very low | 106 Ų | 106 | 116 Ų | 116 | 69% | 0.688 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -53.7 | -20.6 | 179.9 | -24.7 | 33.3 | 0 | 0 | 0 | 113.9 | S1483 | P1481-S1483 VanDerWaalsContact C-N 3.28Å; P1481-S1483 PolarHBondContact O-N 2.98Å |
| 1482 | S | 30.3 | Very low | 28.5 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 48% | 0.483 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -67.5 | -19.8 | 177.1 | -34.1 | 0 | 0 | 0 | 0 | 114.4 | S1480 | S1480-S1482 PolarHBondContact O-N 2.87Š|
| 1483 | S | 31.1 | Very low | 28.6 | Very low | 33 Ų | 33 | 121.2 Ų | 121.2 | 23% | 0.231 | 63% | 0.634 | C | S | . | * | G | 310 helix | trans | -84.4 | -21.3 | -177.6 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | L1479 S1480 P1481 L1485 K1486 | L1479-S1483 VanDerWaalsContact CD2-OG 3.25Å; L1479-S1483 WeakPolarHBondContact CD2-OG 3.27Å; S1480-S1483 PolarHBondContact O-N 3.18Å; S1480-S1483 PolarHBondContact O-OG 3.42Å; P1481-S1483 VanDerWaalsContact C-N 3.28Å; P1481-S1483 PolarHBondContact O-N 2.98Å; S1483-L1485 VanDerWaalsContact C-N 3.26Å; S1483-L1485 PolarHBondContact O-N 3.34Å; S1483-K1486 PolarHBondContact O-N 3.08Å |
| 1484 | K | 33.6 | Very low | 28.6 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -27.1 | 170 | -90.9 | -179.2 | 172.5 | -178.1 | 0 | 112.4 | K1486 M1487 E1663 | K1484-K1486 VanDerWaalsContact C-N 3.28Å; K1484-K1486 PolarHBondContact O-N 2.93Å; K1484-M1487 PolarHBondContact O-N 3.16Å; K1484-E1663 IonicContact NZ-OE1 3.58Å; K1484-E1663 PolarHBondContact NZ-OE1 3.45Å |
| 1485 | L | 32.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.8 | -26.6 | 176.7 | -144 | 90.6 | 0 | 0 | 0 | 112.5 | S1483 | S1483-L1485 VanDerWaalsContact C-N 3.26Å; S1483-L1485 PolarHBondContact O-N 3.34Å |
| 1486 | K | 31.2 | Very low | 28.8 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 52% | 0.522 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -79.2 | -18.4 | 174.7 | -83.7 | 179.2 | 174.6 | 171.8 | 0 | 113.8 | E139 S1483 K1484 | E139-K1486 WeakPolarHBondContact OE1-CE 3.45Å; E139-K1486 IonicContact OE1-NZ 3.67Å; E139-K1486 PolarHBondContact OE1-NZ 3.19Å; E139-K1486 IonicContact OE2-NZ 2.71Å; E139-K1486 PolarHBondContact OE2-NZ 2.73Å; S1483-K1486 PolarHBondContact O-N 3.08Å; K1484-K1486 VanDerWaalsContact C-N 3.28Å; K1484-K1486 PolarHBondContact O-N 2.93Å |
| 1487 | M | 31.4 | Very low | 29.1 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 83% | 0.833 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.8 | -20.4 | 174.3 | -74.4 | -168.9 | 69.6 | 0 | 0 | 113.1 | K1484 | K1484-M1487 PolarHBondContact O-N 3.16Å |
| 1488 | L | 34.2 | Very low | 29.1 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -88.8 | -9.9 | 177.1 | -79.4 | 158.8 | 0 | 0 | 0 | 113.6 | ||
| 1489 | L | 28.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -122 | 104.2 | 178.1 | -70.4 | 165.9 | 0 | 0 | 0 | 109.1 | ||
| 1490 | G | 26 | Very low | 29.1 | Very low | 72 Ų | 72 | 126.2 Ų | 126.2 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | trans | -58.3 | 130.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1491 | N | 30 | Very low | 29.1 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | trans | -177.1 | 115.7 | 137.8 | -100.9 | -23.1 | 0 | 0 | 0 | 109.7 | ||||
| 1492 | P | 27.7 | Very low | 29.1 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 62% | 0.617 | 71% | 0.705 | S | S | * | * | trans | -94.6 | 104.1 | -179.7 | 33.9 | -25.8 | 0 | 0 | 0 | 110.3 | P1517 | P1492-P1517 HydrophobicContact CB-CG 4.1Å; P1492-P1517 HydrophobicContact CG-CB 4.16Å; P1492-P1517 HydrophobicContact CG-CG 4.09Å | ||
| 1493 | L | 27.4 | Very low | 28.8 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -139 | 103.2 | 169.1 | -91.4 | 162.3 | 0 | 0 | 0 | 110.9 | ||||
| 1494 | R | 25.7 | Very low | 28.6 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | 52.4 | 105.9 | 151.5 | -69.2 | 179.4 | 172 | 176.5 | -2.2 | 119 | ||||
| 1495 | S | 27.6 | Very low | 28.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -137.2 | 114.2 | 146 | 62 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1496 | E | 25.3 | Very low | 28 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | trans | -80.5 | 116.8 | 173.2 | -70.1 | -175.5 | 172.7 | 0 | 0 | 110.3 | R161 | R161-E1496 IonicContact CZ-OE2 3.72Å; R161-E1496 IonicContact NH1-OE2 2.58Å; R161-E1496 PolarHBondContact NH1-OE2 3.09Å; R161-E1496 IonicContact NH2-OE2 2.86Å | ||
| 1497 | H | 30.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -135.7 | 98.1 | 153.1 | -93.7 | -67.9 | 0 | 0 | 0 | 110.4 | T1499 | H1497-T1499 PolarHBondContact O-N 2.72Š| ||
| 1498 | K | 26.2 | Very low | 27.6 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -66.9 | 114.4 | 159.4 | -79.4 | 179 | 173.7 | 177.4 | 0 | 108.5 | ||||
| 1499 | T | 28.7 | Very low | 27.4 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -113.7 | 128.9 | 150.4 | 43.3 | 0 | 0 | 0 | 0 | 108.1 | H1497 T1501 | H1497-T1499 PolarHBondContact O-N 2.72Å; T1499-T1501 PolarHBondContact O-N 2.91Å | ||
| 1500 | T | 26.7 | Very low | 27.3 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | trans | -68.1 | 107.1 | 178.9 | 43.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1501 | T | 28 | Very low | 27.5 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 145.7 | 149.4 | 36.8 | 0 | 0 | 0 | 0 | 109.1 | T1499 | T1499-T1501 PolarHBondContact O-N 2.91Š| ||
| 1502 | S | 28.2 | Very low | 27.4 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -45.2 | 136 | -171.5 | 38.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1503 | K | 24.8 | Very low | 27.4 | Very low | 190 Ų | 190 | 154.1 Ų | 154.1 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -62.2 | 152.8 | 155 | -79.2 | 178.4 | 171.5 | -178.9 | 0 | 109.2 | ||
| 1504 | D | 25.2 | Very low | 27.4 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 83.2 | 65.3 | 174.3 | -49.2 | -24.3 | 0 | 0 | 0 | 116.1 | ||
| 1505 | T | 26.5 | Very low | 27.6 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | S | Bend | 172.8 | 117.7 | 114.1 | 34 | 0 | 0 | 0 | 0 | 109.9 | |||
| 1506 | N | 27.3 | Very low | 27.7 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -1 | 110.3 | 174.6 | -63.8 | -20.3 | 0 | 0 | 0 | 118.5 | D1508 | N1506-D1508 PolarHBondContact O-N 2.85Š| ||
| 1507 | S | 24.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -74.2 | 110.4 | 168.4 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1508 | D | 30.1 | Very low | 27.9 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | -111.2 | 143 | 159.8 | -77.4 | -30.8 | 0 | 0 | 0 | 110 | N1506 | N1506-D1508 PolarHBondContact O-N 2.85Š| ||
| 1509 | E | 29.5 | Very low | 28.2 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -77.3 | 112.3 | -152.5 | -63.4 | 168.8 | 157.8 | 0 | 0 | 113.9 | I1511 | E1509-I1511 HydrophobicContact CB-CG1 4.42Å; E1509-I1511 PolarHBondContact O-N 3.5Å | ||
| 1510 | F | 26.9 | Very low | 28.2 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | trans | -91.5 | 90.5 | 160.3 | -117.9 | -93.9 | 0 | 0 | 0 | 108.6 | Q1512 | F1510-Q1512 PolarHBondContact O-N 2.88Š| ||
| 1511 | I | 30.6 | Very low | 28.4 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 102.5 | 174.2 | -61.5 | 174.4 | 0 | 0 | 0 | 108.7 | E1509 | E1509-I1511 HydrophobicContact CB-CG1 4.42Å; E1509-I1511 PolarHBondContact O-N 3.5Å | ||
| 1512 | Q | 26.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -70.9 | 117 | 161.7 | -162.7 | 164.7 | 7.4 | 0 | 0 | 107.1 | F1510 T1514 | F1510-Q1512 PolarHBondContact O-N 2.88Å; Q1512-T1514 HydrophobicContact CG-CG2 4.46Å; Q1512-T1514 PolarHBondContact O-N 2.88Å | ||
| 1513 | W | 28.1 | Very low | 29 | Very low | 243 Ų | 243 | 144.4 Ų | 144.4 | 92% | 0.92 | 75% | 0.754 | S | S | * | * | trans | -67.9 | 82 | 172 | -86.1 | 29.7 | 0 | 0 | 0 | 109.4 | ||||
| 1514 | T | 28.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 59% | 0.589 | 74% | 0.743 | S | S | * | * | trans | -135.5 | 115.3 | 165.9 | 42.9 | 0 | 0 | 0 | 0 | 106.1 | Q1512 D1516 | Q1512-T1514 HydrophobicContact CG-CG2 4.46Å; Q1512-T1514 PolarHBondContact O-N 2.88Å; T1514-D1516 PolarHBondContact O-N 3.25Å | ||
| 1515 | A | 30.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -42.4 | 115.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1517 | A1515-P1517 WeakPolarHBondContact O-CD 3.41Š| ||
| 1516 | D | 30.2 | Very low | 30.4 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | -75.6 | 118.6 | 160.7 | -85.5 | -35.4 | 0 | 0 | 0 | 108.9 | T1514 E1518 | T1514-D1516 PolarHBondContact O-N 3.25Å; D1516-E1518 PolarHBondContact O-N 3.12Å | ||
| 1517 | P | 28.9 | Very low | 30.9 | Very low | 83 Ų | 83 | 136.8 Ų | 136.8 | 54% | 0.539 | 72% | 0.716 | S | S | . | * | trans | -96.2 | 80.6 | 177 | 34.9 | -24.4 | 0 | 0 | 0 | 108.6 | P1492 A1515 | P1492-P1517 HydrophobicContact CB-CG 4.1Å; P1492-P1517 HydrophobicContact CG-CB 4.16Å; P1492-P1517 HydrophobicContact CG-CG 4.09Å; A1515-P1517 WeakPolarHBondContact O-CD 3.41Å | ||
| 1518 | E | 30.3 | Very low | 31.5 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -179.1 | 62.8 | 163.5 | -104.5 | 167.1 | -150.2 | 0 | 0 | 111.7 | D1516 | D1516-E1518 PolarHBondContact O-N 3.12Š| ||
| 1519 | L | 31.7 | Very low | 31.7 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -156.1 | 107.3 | 160.5 | -99.2 | 144.4 | 0 | 0 | 0 | 109.3 | ||
| 1520 | N | 29.6 | Very low | 32.2 | Very low | 118 Ų | 118 | 138 Ų | 138 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | trans | 56.6 | 103.2 | 167.9 | -62.3 | -18.2 | 0 | 0 | 0 | 119.5 | S1522 | N1520-S1522 PolarHBondContact O-N 3.35Š| ||
| 1521 | Q | 31.2 | Very low | 32.9 | Very low | 209 Ų | 209 | 135 Ų | 135 | 98% | 0.977 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 32.2 | 172.5 | -75.2 | 174.8 | -23.1 | 0 | 0 | 115.1 | ||
| 1522 | S | 33.5 | Very low | 33 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 56% | 0.559 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.8 | -13 | 179.2 | 56 | 0 | 0 | 0 | 0 | 115 | N1520 | N1520-S1522 PolarHBondContact O-N 3.35Š|
| 1523 | D | 34.9 | Very low | 33.4 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 54% | 0.54 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -113.7 | 7.8 | -163.8 | -58.9 | -3.8 | 0 | 0 | 0 | 113.5 | ||
| 1524 | V | 34.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -87.5 | -11.2 | -176.3 | -175.9 | 0 | 0 | 0 | 0 | 113 | ||
| 1525 | D | 34.1 | Very low | 33.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -83 | -20.5 | 174.7 | -73 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 1526 | D | 36.1 | Very low | 34.2 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -23 | -176 | -73.9 | -15 | 0 | 0 | 0 | 114.2 | ||
| 1527 | E | 38.4 | Very low | 34.5 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -19.7 | 174.7 | -77.2 | -165.3 | 149.1 | 0 | 0 | 113.1 | ||
| 1528 | R | 36.8 | Very low | 34.7 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -22.7 | 176 | -74.6 | -178.6 | 171.6 | -171.1 | -1.1 | 113.1 | L1530 | R1528-L1530 VanDerWaalsContact C-N 3.32Å; R1528-L1530 PolarHBondContact O-N 2.83Å |
| 1529 | E | 34.2 | Very low | 35.1 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -18.2 | 176.1 | -75.6 | -164.1 | 154.3 | 0 | 0 | 114.3 | ||
| 1530 | L | 41.6 | Very low | 35.3 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 46% | 0.455 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -10.1 | 179.1 | -84.4 | 159.5 | 0 | 0 | 0 | 114.2 | R1528 | R1528-L1530 VanDerWaalsContact C-N 3.32Å; R1528-L1530 PolarHBondContact O-N 2.83Å |
| 1531 | I | 41 | Very low | 35.5 | Very low | 145 Ų | 145 | 148.3 Ų | 148.3 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -115.1 | -2.2 | -169.8 | -61 | 175.2 | 0 | 0 | 0 | 112.1 | E1533 | I1531-E1533 PolarHBondContact O-N 2.91Š|
| 1532 | Q | 32.6 | Very low | 35.7 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | -95.5 | 62.8 | 179.7 | -145.3 | 152.5 | 5.1 | 0 | 0 | 112.3 | N1534 | Q1532-N1534 VanDerWaalsContact C-N 3.28Å; Q1532-N1534 PolarHBondContact O-N 3.12Å | ||
| 1533 | E | 35.3 | Very low | 36 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 54% | 0.542 | 73% | 0.732 | S | S | . | * | trans | -70.3 | 78 | 169 | -74.5 | 176.4 | -179.5 | 0 | 0 | 109.9 | R1320 I1531 | R1320-E1533 IonicContact NH1-OE1 2.76Å; R1320-E1533 PolarHBondContact NH1-OE1 3.15Å; I1531-E1533 PolarHBondContact O-N 2.91Å | ||
| 1534 | N | 34.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -141.5 | 17 | 169.5 | -104.6 | -19.2 | 0 | 0 | 0 | 114.4 | Q1532 | Q1532-N1534 VanDerWaalsContact C-N 3.28Å; Q1532-N1534 PolarHBondContact O-N 3.12Å | ||
| 1535 | M | 31.7 | Very low | 37.8 | Very low | 175 Ų | 175 | 149.3 Ų | 149.3 | 86% | 0.862 | 73% | 0.73 | S | S | * | * | trans | -123.6 | 11.8 | 179.9 | -104.7 | -173.7 | -176.3 | 0 | 0 | 115.7 | R1537 | M1535-R1537 VanDerWaalsContact C-N 3.34Å; M1535-R1537 PolarHBondContact O-N 3.19Å; M1535-R1537 VanDerWaalsContact O-N 3.17Å | ||
| 1536 | E | 36.5 | Very low | 39.2 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 31.7 | -172.5 | -65.5 | -169.4 | 153.8 | 0 | 0 | 116 | ||
| 1537 | R | 36 | Very low | 40.6 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 2.3 | 172.7 | -74.5 | -169.4 | -133.2 | 167.6 | 5.8 | 115.5 | M1535 | M1535-R1537 VanDerWaalsContact C-N 3.34Å; M1535-R1537 PolarHBondContact O-N 3.19Å; M1535-R1537 VanDerWaalsContact O-N 3.17Å |
| 1538 | N | 34.1 | Very low | 42.3 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -129.5 | 15.5 | -171.2 | -77 | -19.9 | 0 | 0 | 0 | 116.3 | ||
| 1539 | I | 39.5 | Very low | 44.1 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | trans | -124.3 | 68.2 | -175.1 | -46.9 | 175.8 | 0 | 0 | 0 | 110.9 | ||||
| 1540 | E | 34 | Very low | 46 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 91% | 0.911 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -115.4 | 9.5 | 169.6 | -76.5 | -168.4 | 158.5 | 0 | 0 | 113.1 | ||
| 1541 | Q | 33.8 | Very low | 48 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | trans | -143.7 | 82.1 | 179.6 | -68 | -177.6 | -6 | 0 | 0 | 110.8 | ||||
| 1542 | E | 37.1 | Very low | 50 | Low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 67% | 0.667 | S | S | * | * | trans | -160.1 | 121.6 | 156.1 | -113.6 | 165.6 | -151.9 | 0 | 0 | 112.2 | ||||
| 1543 | N | 39.6 | Very low | 52.6 | Low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 64% | 0.639 | S | S | * | * | trans | -88.3 | 142.6 | -177.1 | -71.8 | -53.2 | 0 | 0 | 0 | 110.2 | ||||
| 1544 | A | 49.8 | Very low | 55 | Low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 59.4 | 110.4 | 170 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1546 | A1544-S1546 PolarHBondContact O-N 3.39Š|
| 1545 | I | 57.8 | Low | 57.5 | Low | 67 Ų | 67 | 124.1 Ų | 124.1 | 34% | 0.344 | 61% | 0.609 | S | S | . | * | trans | -47.1 | 126.3 | 170 | -62.3 | 166.3 | 0 | 0 | 0 | 109.2 | H1547 E1549 A1550 F1569 | I1545-H1547 PolarHBondContact O-N 3.5Å; I1545-E1549 HydrophobicContact CG2-CB 4.07Å; I1545-E1549 HydrophobicContact CG2-CG 4.39Å; I1545-A1550 HydrophobicContact CG2-CB 4.25Å; I1545-F1569 HydrophobicContact CD1-CE2 3.8Å | ||
| 1546 | S | 63.3 | Low | 60.2 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 43% | 0.427 | 59% | 0.587 | S | S | . | * | trans | -57.9 | 142.5 | -177.7 | 106.7 | 0 | 0 | 0 | 0 | 110.2 | A1544 D1548 E1549 A1550 | A1544-S1546 PolarHBondContact O-N 3.39Å; S1546-D1548 PolarHBondContact O-N 3.19Å; S1546-D1548 VanDerWaalsContact O-N 3.09Å; S1546-D1548 PolarHBondContact OG-N 3.1Å; S1546-E1549 PolarHBondContact O-N 3.27Å; S1546-E1549 PolarHBondContact OG-N 2.81Å; S1546-E1549 VanDerWaalsContact OG-N 3.13Å; S1546-A1550 PolarHBondContact O-N 3.27Å | ||
| 1547 | H | 65.7 | Low | 62.6 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.4 | -24.2 | -178 | -152.7 | -61.6 | 0 | 0 | 0 | 112.1 | I1545 R1551 | I1545-H1547 PolarHBondContact O-N 3.5Å; H1547-R1551 WeakPolarHBondContact O-CB 3.39Å; H1547-R1551 VanDerWaalsContact O-CG 3.27Å; H1547-R1551 WeakPolarHBondContact O-CG 3.49Å; H1547-R1551 PolarHBondContact O-N 3.18Å |
| 1548 | D | 74.1 | Confident | 65.1 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 54% | 0.535 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77.5 | -40.2 | 174.6 | -75.9 | -18.3 | 0 | 0 | 0 | 112.4 | S1546 R1551 K1552 | S1546-D1548 PolarHBondContact O-N 3.19Å; S1546-D1548 VanDerWaalsContact O-N 3.09Å; S1546-D1548 PolarHBondContact OG-N 3.1Å; D1548-R1551 PolarHBondContact O-N 3.47Å; D1548-K1552 WeakPolarHBondContact O-CG 3.33Å; D1548-K1552 PolarHBondContact O-N 2.9Å |
| 1549 | E | 74.3 | Confident | 67.7 | Low | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176.1 | -166.8 | -179 | 177.8 | 0 | 0 | 111.3 | I1545 S1546 R1551 K1552 R1553 | I1545-E1549 HydrophobicContact CG2-CB 4.07Å; I1545-E1549 HydrophobicContact CG2-CG 4.39Å; S1546-E1549 PolarHBondContact O-N 3.27Å; S1546-E1549 PolarHBondContact OG-N 2.81Å; S1546-E1549 VanDerWaalsContact OG-N 3.13Å; E1549-R1551 VanDerWaalsContact C-N 3.33Å; E1549-R1551 PolarHBondContact O-N 3.36Å; E1549-K1552 PolarHBondContact O-N 3.49Å; E1549-R1553 WeakPolarHBondContact O-CG 3.38Å; E1549-R1553 PolarHBondContact O-N 3.45Å; E1549-R1553 VanDerWaalsContact O-N 3.08Å |
| 1550 | A | 74.4 | Confident | 70 | Confident | 3 Ų | 3 | 95.7 Ų | 95.7 | 3% | 0.025 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1545 S1546 R1553 I1554 F1569 | I1545-A1550 HydrophobicContact CG2-CB 4.25Å; S1546-A1550 PolarHBondContact O-N 3.27Å; A1550-R1553 PolarHBondContact O-N 3.45Å; A1550-I1554 WeakPolarHBondContact O-CD1 3.38Å; A1550-I1554 VanDerWaalsContact O-CG1 3.24Å; A1550-I1554 WeakPolarHBondContact O-CG1 3.33Å; A1550-I1554 PolarHBondContact O-N 3.07Å; A1550-F1569 HydrophobicContact CB-CE1 4.48Å; A1550-F1569 HydrophobicContact CB-CZ 4.01Å |
| 1551 | R | 82.5 | Confident | 72.5 | Confident | 147 Ų | 147 | 87 Ų | 87 | 56% | 0.555 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 175.7 | -82.7 | 174.3 | 174.7 | 172.6 | -2.1 | 112.4 | H1547 D1548 E1549 R1553 I1554 T1555 | H1547-R1551 WeakPolarHBondContact O-CB 3.39Å; H1547-R1551 VanDerWaalsContact O-CG 3.27Å; H1547-R1551 WeakPolarHBondContact O-CG 3.49Å; H1547-R1551 PolarHBondContact O-N 3.18Å; D1548-R1551 PolarHBondContact O-N 3.47Å; E1549-R1551 VanDerWaalsContact C-N 3.33Å; E1549-R1551 PolarHBondContact O-N 3.36Å; R1551-R1553 VanDerWaalsContact C-N 3.34Å; R1551-R1553 PolarHBondContact O-N 2.72Å; R1551-I1554 PolarHBondContact O-N 3.27Å; R1551-T1555 WeakPolarHBondContact O-CB 3.44Å; R1551-T1555 PolarHBondContact O-N 2.58Å; R1551-T1555 PolarHBondContact O-OG1 3.24Å |
| 1552 | K | 84 | Confident | 74.8 | Confident | 157 Ų | 157 | 83 Ų | 83 | 68% | 0.683 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.9 | -45.5 | 176.3 | -73.9 | 177.4 | -177.8 | -177.7 | 0 | 111.3 | D1548 E1549 T1555 F1556 | D1548-K1552 WeakPolarHBondContact O-CG 3.33Å; D1548-K1552 PolarHBondContact O-N 2.9Å; E1549-K1552 PolarHBondContact O-N 3.49Å; K1552-T1555 PolarHBondContact O-N 2.82Å; K1552-F1556 WeakPolarHBondContact O-CB 3.4Å; K1552-F1556 PolarHBondContact O-N 3.08Å |
| 1553 | R | 85.9 | Confident | 77 | Confident | 40 Ų | 40 | 74 Ų | 74 | 15% | 0.151 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178 | -68 | 172.4 | 70.1 | -174.1 | -1.3 | 112.5 | E1326 E1549 A1550 R1551 F1556 V1557 F1569 | E1326-R1553 IonicContact OE1-CZ 2.56Å; E1326-R1553 VanDerWaalsContact OE1-CZ 3.3Å; E1326-R1553 IonicContact OE1-NE 3.45Å; E1326-R1553 PolarHBondContact OE1-NE 3.4Å; E1326-R1553 IonicContact OE1-NH2 2.72Å; E1326-R1553 PolarHBondContact OE1-NH2 3.44Å; E1326-R1553 IonicContact OE2-CZ 3.7Å; E1326-R1553 VanDerWaalsContact OE2-CZ 3.23Å; E1326-R1553 IonicContact OE2-NE 2.6Å; E1326-R1553 PolarHBondContact OE2-NE 3.01Å; E1326-R1553 IonicContact OE2-NH2 3.72Å; E1326-R1553 PolarHBondContact OE2-NH2 3.45Å; E1549-R1553 WeakPolarHBondContact O-CG 3.38Å; E1549-R1553 PolarHBondContact O-N 3.45Å; E1549-R1553 VanDerWaalsContact O-N 3.08Å; A1550-R1553 PolarHBondContact O-N 3.45Å; R1551-R1553 VanDerWaalsContact C-N 3.34Å; R1551-R1553 PolarHBondContact O-N 2.72Å; R1553-F1556 PolarHBondContact O-N 3.18Å; R1553-V1557 PolarHBondContact O-N 3.12Å; R1553-V1557 VanDerWaalsContact O-N 3.11Å; R1553-F1569 HydrophobicContact CB-CE1 4.31Å |
| 1554 | I | 85.9 | Confident | 79.4 | Confident | 37 Ų | 37 | 66.6 Ų | 66.6 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 176.1 | -65.8 | 166 | 0 | 0 | 0 | 111.4 | A1550 R1551 F1556 T1558 Y1567 F1569 | A1550-I1554 WeakPolarHBondContact O-CD1 3.38Å; A1550-I1554 VanDerWaalsContact O-CG1 3.24Å; A1550-I1554 WeakPolarHBondContact O-CG1 3.33Å; A1550-I1554 PolarHBondContact O-N 3.07Å; R1551-I1554 PolarHBondContact O-N 3.27Å; I1554-F1556 VanDerWaalsContact C-N 3.35Å; I1554-T1558 WeakPolarHBondContact O-CB 3.41Å; I1554-T1558 PolarHBondContact O-N 3.37Å; I1554-T1558 PolarHBondContact O-OG1 3.1Å; I1554-Y1567 HydrophobicContact CG1-CD1 4.13Å; I1554-Y1567 WeakPolarHBondContact CG2-O 3.41Å; I1554-F1569 HydrophobicContact CG1-CE1 4.33Å |
| 1555 | T | 87.3 | Confident | 81 | Confident | 93 Ų | 93 | 65.5 Ų | 65.5 | 57% | 0.571 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 178.8 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | R1551 K1552 T1558 S1559 | R1551-T1555 WeakPolarHBondContact O-CB 3.44Å; R1551-T1555 PolarHBondContact O-N 2.58Å; R1551-T1555 PolarHBondContact O-OG1 3.24Å; K1552-T1555 PolarHBondContact O-N 2.82Å; T1555-T1558 PolarHBondContact O-N 3.16Å; T1555-S1559 WeakPolarHBondContact O-CB 3.24Å; T1555-S1559 PolarHBondContact O-N 3.34Å; T1555-S1559 PolarHBondContact O-OG 3.5Å |
| 1556 | F | 89.2 | Confident | 82.4 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57 | -56.6 | 176.3 | 175.5 | -102.6 | 0 | 0 | 0 | 111.6 | K1552 R1553 I1554 T1558 S1559 L1560 | K1552-F1556 WeakPolarHBondContact O-CB 3.4Å; K1552-F1556 PolarHBondContact O-N 3.08Å; R1553-F1556 PolarHBondContact O-N 3.18Å; I1554-F1556 VanDerWaalsContact C-N 3.35Å; F1556-T1558 VanDerWaalsContact C-N 3.33Å; F1556-T1558 PolarHBondContact O-N 2.96Å; F1556-S1559 PolarHBondContact O-N 2.96Å; F1556-S1559 VanDerWaalsContact O-N 3.09Å; F1556-S1559 PolarHBondContact O-OG 3.39Å; F1556-L1560 HydrophobicContact CE1-CD1 4.42Å; F1556-L1560 HydrophobicContact CE1-CD2 4.48Å; F1556-L1560 HydrophobicContact CE2-CD2 4.48Å; F1556-L1560 HydrophobicContact CZ-CD2 4.16Å; F1556-L1560 PolarHBondContact O-N 3.06Å |
| 1557 | V | 86.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | -178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | E1326 F1330 R1553 S1559 L1560 F1564 Y1567 L1581 | E1326-V1557 HydrophobicContact CB-CG2 4.27Å; E1326-V1557 HydrophobicContact CG-CG2 4.06Å; F1330-V1557 HydrophobicContact CB-CG1 4.39Å; F1330-V1557 HydrophobicContact CD2-CG1 3.63Å; F1330-V1557 HydrophobicContact CD2-CG2 4.01Å; F1330-V1557 HydrophobicContact CE2-CG1 4.26Å; F1330-V1557 HydrophobicContact CG-CG1 4.24Å; R1553-V1557 PolarHBondContact O-N 3.12Å; R1553-V1557 VanDerWaalsContact O-N 3.11Å; V1557-S1559 PolarHBondContact O-N 3.2Å; V1557-L1560 WeakPolarHBondContact O-CB 3.28Å; V1557-L1560 PolarHBondContact O-N 2.58Å; V1557-F1564 WeakPolarHBondContact O-CD2 3.33Å; V1557-Y1567 HydrophobicContact CB-CD1 3.92Å; V1557-Y1567 HydrophobicContact CB-CD2 4.45Å; V1557-Y1567 HydrophobicContact CB-CG 3.87Å; V1557-Y1567 HydrophobicContact CG1-CD1 4.31Å; V1557-Y1567 HydrophobicContact CG1-CD2 3.95Å; V1557-Y1567 HydrophobicContact CG1-CG 3.76Å; V1557-Y1567 HydrophobicContact CG2-CD1 3.83Å; V1557-Y1567 HydrophobicContact CG2-CE1 3.94Å; V1557-Y1567 HydrophobicContact CG2-CG 4.13Å; V1557-L1581 HydrophobicContact CG1-CD1 3.82Å |
| 1558 | T | 87.1 | Confident | 84.8 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.8 | -27.1 | 179.5 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | I1554 T1555 F1556 F1564 | I1554-T1558 WeakPolarHBondContact O-CB 3.41Å; I1554-T1558 PolarHBondContact O-N 3.37Å; I1554-T1558 PolarHBondContact O-OG1 3.1Å; T1555-T1558 PolarHBondContact O-N 3.16Å; F1556-T1558 VanDerWaalsContact C-N 3.33Å; F1556-T1558 PolarHBondContact O-N 2.96Å; T1558-F1564 VanDerWaalsContact CG2-O 3.23Å; T1558-F1564 WeakPolarHBondContact CG2-O 3.44Å |
| 1559 | S | 89.6 | Confident | 85.4 | Confident | 89 Ų | 89 | 52.6 Ų | 52.6 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -79.3 | -13.4 | 178.9 | 71.6 | 0 | 0 | 0 | 0 | 115 | T1555 F1556 V1557 H1561 | T1555-S1559 WeakPolarHBondContact O-CB 3.24Å; T1555-S1559 PolarHBondContact O-N 3.34Å; T1555-S1559 PolarHBondContact O-OG 3.5Å; F1556-S1559 PolarHBondContact O-N 2.96Å; F1556-S1559 VanDerWaalsContact O-N 3.09Å; F1556-S1559 PolarHBondContact O-OG 3.39Å; V1557-S1559 PolarHBondContact O-N 3.2Å; S1559-H1561 PolarHBondContact O-N 3.49Å |
| 1560 | L | 88.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -67.7 | -31.6 | -175.2 | -67.5 | 172.5 | 0 | 0 | 0 | 113.8 | F1330 P1331 A1334 F1556 V1557 F1564 | F1330-L1560 HydrophobicContact CB-CD1 3.87Å; P1331-L1560 HydrophobicContact CB-CD2 4.44Å; P1331-L1560 HydrophobicContact CG-CD1 3.76Å; P1331-L1560 HydrophobicContact CG-CD2 4.02Å; A1334-L1560 HydrophobicContact CB-CB 4.25Å; F1556-L1560 HydrophobicContact CE1-CD1 4.42Å; F1556-L1560 HydrophobicContact CE1-CD2 4.48Å; F1556-L1560 HydrophobicContact CE2-CD2 4.48Å; F1556-L1560 HydrophobicContact CZ-CD2 4.16Å; F1556-L1560 PolarHBondContact O-N 3.06Å; V1557-L1560 WeakPolarHBondContact O-CB 3.28Å; V1557-L1560 PolarHBondContact O-N 2.58Å; L1560-F1564 HydrophobicContact CB-CD2 4.18Å; L1560-F1564 HydrophobicContact CB-CE2 4.14Å |
| 1561 | H | 85.6 | Confident | 86 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.284 | C | S | . | . | trans | -149.8 | 139.2 | -178.3 | -165.2 | -88.3 | 0 | 0 | 0 | 110.7 | A1334 L1337 N1338 S1559 R1563 F1564 | A1334-H1561 HydrophobicContact CB-CB 3.84Å; A1334-H1561 PolarHBondContact O-CD2 2.98Å; L1337-H1561 VanDerWaalsContact CD2-CE1 3.46Å; L1337-H1561 WeakPolarHBondContact CD2-CE1 3.46Å; N1338-H1561 PolarHBondContact OD1-NE2 3.06Å; S1559-H1561 PolarHBondContact O-N 3.49Å; H1561-R1563 WeakPolarHBondContact ND1-CB 3.38Å; H1561-R1563 PolarHBondContact ND1-N 2.99Å; H1561-R1563 VanDerWaalsContact ND1-N 3.12Å; H1561-R1563 PolarHBondContact O-N 3.19Å; H1561-R1563 VanDerWaalsContact O-N 3.12Å; H1561-F1564 HydrophobicContact CB-CD1 3.88Å; H1561-F1564 HydrophobicContact CB-CD2 3.87Å; H1561-F1564 HydrophobicContact CB-CE1 3.95Å; H1561-F1564 HydrophobicContact CB-CE2 3.96Å; H1561-F1564 HydrophobicContact CB-CG 3.83Å; H1561-F1564 HydrophobicContact CB-CZ 3.99Å; H1561-F1564 WeakPolarHBondContact O-CB 3.43Å; H1561-F1564 PolarHBondContact O-N 3.31Å | ||
| 1562 | A | 82.4 | Confident | 85.2 | Confident | 96 Ų | 96 | 55.3 Ų | 55.3 | 79% | 0.793 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1563 | R | 84.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -3.9 | 177.2 | -56 | -173.8 | -179.3 | -120.2 | 7 | 114.6 | H1561 S1565 I1583 C1584 M1585 E1590 G1591 | H1561-R1563 WeakPolarHBondContact ND1-CB 3.38Å; H1561-R1563 PolarHBondContact ND1-N 2.99Å; H1561-R1563 VanDerWaalsContact ND1-N 3.12Å; H1561-R1563 PolarHBondContact O-N 3.19Å; H1561-R1563 VanDerWaalsContact O-N 3.12Å; R1563-S1565 PolarHBondContact O-N 3.26Å; R1563-I1583 HydrophobicContact CB-CG2 4.22Å; R1563-I1583 CarbonylContact O-C 3.6Å; R1563-I1583 VanDerWaalsContact O-CA 3.31Å; R1563-I1583 WeakPolarHBondContact O-CA 3.42Å; R1563-C1584 HydrophobicContact CB-CB 4.5Å; R1563-C1584 PolarHBondContact O-N 3.44Å; R1563-M1585 PolarHBondContact NH1-O 3.28Å; R1563-E1590 IonicContact CZ-OE2 3.66Å; R1563-E1590 IonicContact NE-OE2 3.84Å; R1563-E1590 PolarHBondContact NE-OE2 3.46Å; R1563-E1590 IonicContact NH2-OE2 3.86Å; R1563-E1590 PolarHBondContact NH2-OE2 3.28Å; R1563-G1591 PolarHBondContact NH1-O 3.2Å; R1563-G1591 PolarHBondContact NH2-O 2.92Å; R1563-G1591 VanDerWaalsContact NH2-O 3.13Å |
| 1564 | F | 89.3 | Confident | 83.1 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.022 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 97.6 | 175.6 | -68.9 | -2.1 | 0 | 0 | 0 | 109.6 | F1330 L1333 A1334 L1337 V1557 T1558 L1560 H1561 L1581 T1582 I1583 | F1330-F1564 HydrophobicContact CB-CE2 4.46Å; L1333-F1564 HydrophobicContact CB-CZ 4.46Å; L1333-F1564 HydrophobicContact CD2-CE1 4.35Å; L1333-F1564 HydrophobicContact CD2-CZ 3.99Å; L1333-F1564 HydrophobicContact CG-CZ 4.07Å; A1334-F1564 HydrophobicContact CB-CE2 4.15Å; A1334-F1564 HydrophobicContact CB-CZ 4.14Å; L1337-F1564 HydrophobicContact CD2-CE1 4.3Å; V1557-F1564 WeakPolarHBondContact O-CD2 3.33Å; T1558-F1564 VanDerWaalsContact CG2-O 3.23Å; T1558-F1564 WeakPolarHBondContact CG2-O 3.44Å; L1560-F1564 HydrophobicContact CB-CD2 4.18Å; L1560-F1564 HydrophobicContact CB-CE2 4.14Å; H1561-F1564 HydrophobicContact CB-CD1 3.88Å; H1561-F1564 HydrophobicContact CB-CD2 3.87Å; H1561-F1564 HydrophobicContact CB-CE1 3.95Å; H1561-F1564 HydrophobicContact CB-CE2 3.96Å; H1561-F1564 HydrophobicContact CB-CG 3.83Å; H1561-F1564 HydrophobicContact CB-CZ 3.99Å; H1561-F1564 WeakPolarHBondContact O-CB 3.43Å; H1561-F1564 PolarHBondContact O-N 3.31Å; F1564-L1581 HydrophobicContact CD2-CD1 4.19Å; F1564-L1581 HydrophobicContact CE1-CD2 4.37Å; F1564-L1581 HydrophobicContact CG-CD1 4.21Å; F1564-L1581 HydrophobicContact CZ-CD2 4.29Å; F1564-T1582 CarbonylContact C-O 3.59Å; F1564-I1583 HydrophobicContact CD1-CD1 4.42Å; F1564-I1583 HydrophobicContact CD1-CG1 3.95Å; F1564-I1583 HydrophobicContact CE1-CD1 4.02Å; F1564-I1583 HydrophobicContact CE1-CG1 4.06Å |
| 1565 | S | 84 | Confident | 82.3 | Confident | 68 Ų | 68 | 55.7 Ų | 55.7 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -19 | -174.2 | 61.3 | 0 | 0 | 0 | 0 | 114.8 | R1563 T1582 | R1563-S1565 PolarHBondContact O-N 3.26Å; S1565-T1582 PolarHBondContact N-O 2.86Å; S1565-T1582 WeakPolarHBondContact OG-CB 3.49Å; S1565-T1582 WeakPolarHBondContact OG-CG2 3.48Å; S1565-T1582 PolarHBondContact OG-O 3.05Å |
| 1566 | G | 86.4 | Confident | 81.8 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 22% | 0.216 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 152.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1582 | G1566-T1582 PolarHBondContact N-O 3.49Å; G1566-T1582 PolarHBondContact O-N 2.88Å |
| 1567 | Y | 90.5 | Very high | 81.5 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.1 | 176.9 | 176.7 | -110.6 | 0 | 0 | 0 | 110.7 | E1326 F1330 I1554 V1557 F1569 A1579 R1580 L1581 | E1326-Y1567 HydrophobicContact CG-CE1 4.09Å; E1326-Y1567 VanDerWaalsContact CG-OH 3.22Å; E1326-Y1567 WeakPolarHBondContact CG-OH 3.42Å; E1326-Y1567 WeakPolarHBondContact OE1-CE1 3.02Å; E1326-Y1567 PolarHBondContact OE1-OH 3Å; F1330-Y1567 HydrophobicContact CD2-CE2 4.36Å; F1330-Y1567 AromaticContact CE2-CD2 3.93Å; F1330-Y1567 HydrophobicContact CE2-CD2 3.93Å; F1330-Y1567 AromaticContact CE2-CE2 3.38Å; F1330-Y1567 HydrophobicContact CE2-CE2 3.38Å; F1330-Y1567 AromaticContact CE2-CZ 3.99Å; F1330-Y1567 HydrophobicContact CZ-CD2 4.45Å; F1330-Y1567 AromaticContact CZ-CE2 3.92Å; F1330-Y1567 HydrophobicContact CZ-CE2 3.92Å; I1554-Y1567 HydrophobicContact CG1-CD1 4.13Å; I1554-Y1567 WeakPolarHBondContact CG2-O 3.41Å; V1557-Y1567 HydrophobicContact CB-CD1 3.92Å; V1557-Y1567 HydrophobicContact CB-CD2 4.45Å; V1557-Y1567 HydrophobicContact CB-CG 3.87Å; V1557-Y1567 HydrophobicContact CG1-CD1 4.31Å; V1557-Y1567 HydrophobicContact CG1-CD2 3.95Å; V1557-Y1567 HydrophobicContact CG1-CG 3.76Å; V1557-Y1567 HydrophobicContact CG2-CD1 3.83Å; V1557-Y1567 HydrophobicContact CG2-CE1 3.94Å; V1557-Y1567 HydrophobicContact CG2-CG 4.13Å; Y1567-F1569 HydrophobicContact CD1-CD1 4.36Å; Y1567-F1569 AromaticContact CE1-CD1 3.65Å; Y1567-F1569 HydrophobicContact CE1-CD1 3.65Å; Y1567-F1569 HydrophobicContact CE1-CE1 4.35Å; Y1567-F1569 HydrophobicContact CE1-CG 4.49Å; Y1567-A1579 HydrophobicContact CE2-CB 4.23Å; Y1567-R1580 CarbonylContact C-O 3.6Å; Y1567-R1580 VanDerWaalsContact CA-O 3.32Å; Y1567-R1580 WeakPolarHBondContact CA-O 3.45Å; Y1567-R1580 WeakPolarHBondContact CD2-O 3.27Å; Y1567-L1581 HydrophobicContact CD2-CD1 4.43Å |
| 1568 | D | 88.5 | Confident | 81.5 | Confident | 39 Ų | 39 | 56 Ų | 56 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 155.6 | 175.1 | -166.9 | 29.7 | 0 | 0 | 0 | 110.6 | R1571 W1578 A1579 R1580 | D1568-R1571 IonicContact OD1-CZ 3.43Å; D1568-R1571 IonicContact OD1-NE 3.56Å; D1568-R1571 PolarHBondContact OD1-NE 3.28Å; D1568-R1571 IonicContact OD1-NH2 2.57Å; D1568-R1571 PolarHBondContact OD1-NH2 2.92Å; D1568-W1578 HydrophobicContact CB-CZ3 4.32Å; D1568-W1578 WeakPolarHBondContact OD2-CH2 3.38Å; D1568-A1579 CarbonylContact O-C 3.6Å; D1568-R1580 PolarHBondContact N-O 3.48Å; D1568-R1580 PolarHBondContact O-N 3.03Å; D1568-R1580 IonicContact OD2-CZ 3.55Å; D1568-R1580 IonicContact OD2-NH2 2.58Å; D1568-R1580 PolarHBondContact OD2-NH2 3.37Å |
| 1569 | F | 87.6 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 165 | -178.5 | 63 | -87.7 | 0 | 0 | 0 | 111.3 | L1322 I1545 A1550 R1553 I1554 Y1567 R1571 A1579 | L1322-F1569 HydrophobicContact CD1-CB 4.19Å; L1322-F1569 HydrophobicContact CD2-CB 4.49Å; L1322-F1569 HydrophobicContact CD2-CD2 3.95Å; L1322-F1569 HydrophobicContact CD2-CG 4.39Å; I1545-F1569 HydrophobicContact CD1-CE2 3.8Å; A1550-F1569 HydrophobicContact CB-CE1 4.48Å; A1550-F1569 HydrophobicContact CB-CZ 4.01Å; R1553-F1569 HydrophobicContact CB-CE1 4.31Å; I1554-F1569 HydrophobicContact CG1-CE1 4.33Å; Y1567-F1569 HydrophobicContact CD1-CD1 4.36Å; Y1567-F1569 AromaticContact CE1-CD1 3.65Å; Y1567-F1569 HydrophobicContact CE1-CD1 3.65Å; Y1567-F1569 HydrophobicContact CE1-CE1 4.35Å; Y1567-F1569 HydrophobicContact CE1-CG 4.49Å; F1569-R1571 HydrophobicContact CD2-CG 4.45Å; F1569-R1571 HydrophobicContact CE2-CG 4.2Å; F1569-R1571 WeakPolarHBondContact O-CG 3.34Å; F1569-R1571 PolarHBondContact O-N 2.92Å; F1569-A1579 HydrophobicContact CB-CB 4.38Å |
| 1570 | D | 84.6 | Confident | 81.7 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | trans | -65.7 | 106.9 | 179.1 | -173.6 | 7.8 | 0 | 0 | 0 | 111.8 | K1572 N1573 P1576 K1577 W1578 | D1570-K1572 PolarHBondContact OD1-N 3.09Å; D1570-K1572 VanDerWaalsContact OD1-N 3.08Å; D1570-N1573 PolarHBondContact OD2-ND2 3.47Å; D1570-P1576 HydrophobicContact CB-CB 4.39Å; D1570-K1577 WeakPolarHBondContact OD2-CB 3.45Å; D1570-K1577 PolarHBondContact OD2-N 3.17Å; D1570-K1577 VanDerWaalsContact OD2-N 3.08Å; D1570-W1578 HydrophobicContact CB-CD2 4.27Å; D1570-W1578 HydrophobicContact CB-CG 4.28Å; D1570-W1578 HydrophobicContact CB-CZ2 4.47Å; D1570-W1578 PolarHBondContact N-O 3.37Å | ||
| 1571 | R | 76 | Confident | 81.8 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 37% | 0.366 | 28% | 0.278 | S | S | . | . | trans | -91.3 | -14.8 | 179.7 | -48.9 | -177.6 | -163.6 | 176.9 | 3.6 | 113.4 | D1568 F1569 | D1568-R1571 IonicContact OD1-CZ 3.43Å; D1568-R1571 IonicContact OD1-NE 3.56Å; D1568-R1571 PolarHBondContact OD1-NE 3.28Å; D1568-R1571 IonicContact OD1-NH2 2.57Å; D1568-R1571 PolarHBondContact OD1-NH2 2.92Å; F1569-R1571 HydrophobicContact CD2-CG 4.45Å; F1569-R1571 HydrophobicContact CE2-CG 4.2Å; F1569-R1571 WeakPolarHBondContact O-CG 3.34Å; F1569-R1571 PolarHBondContact O-N 2.92Å | ||
| 1572 | K | 65.3 | Low | 82 | Confident | 196 Ų | 196 | 52 Ų | 52 | 85% | 0.852 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -90.9 | -23.1 | -164.6 | -67.4 | -174.2 | 179.6 | -179.1 | 0 | 113.3 | D1570 | D1570-K1572 PolarHBondContact OD1-N 3.09Å; D1570-K1572 VanDerWaalsContact OD1-N 3.08Å |
| 1573 | N | 62.6 | Low | 82.3 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -109.8 | 141.5 | -175.5 | -64.8 | -44.8 | 0 | 0 | 0 | 111.4 | D1570 S1575 K1577 | D1570-N1573 PolarHBondContact OD2-ND2 3.47Å; N1573-S1575 WeakPolarHBondContact CB-O 3.46Å; N1573-S1575 PolarHBondContact O-N 2.75Å; N1573-S1575 VanDerWaalsContact O-N 3.12Å; N1573-K1577 WeakPolarHBondContact ND2-CD 3.27Å; N1573-K1577 VanDerWaalsContact ND2-CE 3.32Å; N1573-K1577 WeakPolarHBondContact ND2-CE 3.35Å |
| 1574 | S | 64.1 | Low | 82.5 | Confident | 122 Ų | 122 | 49.1 Ų | 49.1 | 85% | 0.853 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -60 | -20 | 170.9 | 117.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1575 | S | 69.2 | Low | 82.1 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -114.9 | 109 | 168.7 | 44.8 | 0 | 0 | 0 | 0 | 109.3 | N1573 K1577 | N1573-S1575 WeakPolarHBondContact CB-O 3.46Å; N1573-S1575 PolarHBondContact O-N 2.75Å; N1573-S1575 VanDerWaalsContact O-N 3.12Å; S1575-K1577 PolarHBondContact O-N 2.93Å |
| 1576 | P | 76.6 | Confident | 81.8 | Confident | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | trans | -62.5 | 132.1 | -179.1 | 24.6 | -34.2 | 0 | 0 | 0 | 110.4 | L1304 P1318 L1322 D1570 | L1304-P1576 HydrophobicContact CD1-CB 4.21Å; L1304-P1576 HydrophobicContact CD1-CG 4.27Å; L1304-P1576 WeakPolarHBondContact CD1-O 3.46Å; P1318-P1576 HydrophobicContact CB-CG 4.27Å; L1322-P1576 HydrophobicContact CB-CG 4.1Å; L1322-P1576 HydrophobicContact CD2-CB 3.77Å; L1322-P1576 HydrophobicContact CD2-CG 3.84Å; D1570-P1576 HydrophobicContact CB-CB 4.39Å | ||
| 1577 | K | 83.2 | Confident | 81.1 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 53% | 0.53 | 26% | 0.261 | S | S | . | . | trans | -95.5 | -27.4 | -179.7 | -65.2 | -176.6 | -179.4 | 177.2 | 0 | 114.1 | L1304 D1570 N1573 S1575 | L1304-K1577 PolarHBondContact N-O 2.74Å; D1570-K1577 WeakPolarHBondContact OD2-CB 3.45Å; D1570-K1577 PolarHBondContact OD2-N 3.17Å; D1570-K1577 VanDerWaalsContact OD2-N 3.08Å; N1573-K1577 WeakPolarHBondContact ND2-CD 3.27Å; N1573-K1577 VanDerWaalsContact ND2-CE 3.32Å; N1573-K1577 WeakPolarHBondContact ND2-CE 3.35Å; S1575-K1577 PolarHBondContact O-N 2.93Å | ||
| 1578 | W | 87.2 | Confident | 80.1 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 23% | 0.227 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 158 | -174.5 | 58.2 | -95.1 | 0 | 0 | 0 | 112.6 | F1302 D1568 D1570 R1580 | F1302-W1578 CarbonylContact O-C 3.47Å; F1302-W1578 WeakPolarHBondContact O-CA 3.49Å; D1568-W1578 HydrophobicContact CB-CZ3 4.32Å; D1568-W1578 WeakPolarHBondContact OD2-CH2 3.38Å; D1570-W1578 HydrophobicContact CB-CD2 4.27Å; D1570-W1578 HydrophobicContact CB-CG 4.28Å; D1570-W1578 HydrophobicContact CB-CZ2 4.47Å; D1570-W1578 PolarHBondContact N-O 3.37Å; W1578-R1580 HydrophobicContact CE3-CB 4.48Å; W1578-R1580 HydrophobicContact CE3-CG 3.81Å; W1578-R1580 HydrophobicContact CZ3-CB 4.28Å; W1578-R1580 HydrophobicContact CZ3-CG 3.91Å |
| 1579 | A | 89 | Confident | 79.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1301 F1302 L1322 L1325 Y1567 D1568 F1569 | E1301-A1579 CarbonylContact C-O 3.51Å; F1302-A1579 HydrophobicContact CB-CB 4.41Å; F1302-A1579 PolarHBondContact N-O 2.81Å; F1302-A1579 PolarHBondContact O-N 2.82Å; L1322-A1579 HydrophobicContact CD1-CB 3.82Å; L1325-A1579 HydrophobicContact CD1-CB 4.21Å; Y1567-A1579 HydrophobicContact CE2-CB 4.23Å; D1568-A1579 CarbonylContact O-C 3.6Å; F1569-A1579 HydrophobicContact CB-CB 4.38Å |
| 1580 | R | 90.6 | Very high | 78.2 | Confident | 85 Ų | 85 | 70.3 Ų | 70.3 | 32% | 0.321 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125 | -177 | -74.2 | -175.2 | -67.4 | 160.8 | 2.6 | 111.1 | T1299 F1300 E1301 Y1567 D1568 W1578 | T1299-R1580 HydrophobicContact CG2-CB 4.32Å; F1300-R1580 CarbonylContact O-C 3.34Å; F1300-R1580 VanDerWaalsContact O-CA 3.24Å; F1300-R1580 WeakPolarHBondContact O-CA 3.3Å; E1301-R1580 HydrophobicContact CB-CG 4.09Å; E1301-R1580 HydrophobicContact CG-CG 3.94Å; Y1567-R1580 CarbonylContact C-O 3.6Å; Y1567-R1580 VanDerWaalsContact CA-O 3.32Å; Y1567-R1580 WeakPolarHBondContact CA-O 3.45Å; Y1567-R1580 WeakPolarHBondContact CD2-O 3.27Å; D1568-R1580 PolarHBondContact N-O 3.48Å; D1568-R1580 PolarHBondContact O-N 3.03Å; D1568-R1580 IonicContact OD2-CZ 3.55Å; D1568-R1580 IonicContact OD2-NH2 2.58Å; D1568-R1580 PolarHBondContact OD2-NH2 3.37Å; W1578-R1580 HydrophobicContact CE3-CB 4.48Å; W1578-R1580 HydrophobicContact CE3-CG 3.81Å; W1578-R1580 HydrophobicContact CZ3-CB 4.28Å; W1578-R1580 HydrophobicContact CZ3-CG 3.91Å |
| 1581 | L | 91.1 | Very high | 77.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.3 | 174.9 | -179.9 | 69.5 | 0 | 0 | 0 | 109.9 | T1299 F1300 F1302 F1330 L1333 V1557 F1564 Y1567 I1583 | T1299-L1581 CarbonylContact C-O 3.58Å; T1299-L1581 WeakPolarHBondContact CA-O 3.21Å; F1300-L1581 PolarHBondContact N-O 3.31Å; F1300-L1581 PolarHBondContact O-N 3.33Å; F1302-L1581 HydrophobicContact CE2-CB 4.18Å; F1330-L1581 HydrophobicContact CD1-CD2 3.77Å; F1330-L1581 HydrophobicContact CE1-CB 4.3Å; F1330-L1581 HydrophobicContact CE1-CD2 3.88Å; F1330-L1581 HydrophobicContact CG-CD2 4.43Å; F1330-L1581 HydrophobicContact CZ-CB 4.38Å; L1333-L1581 HydrophobicContact CD2-CD2 3.77Å; V1557-L1581 HydrophobicContact CG1-CD1 3.82Å; F1564-L1581 HydrophobicContact CD2-CD1 4.19Å; F1564-L1581 HydrophobicContact CE1-CD2 4.37Å; F1564-L1581 HydrophobicContact CG-CD1 4.21Å; F1564-L1581 HydrophobicContact CZ-CD2 4.29Å; Y1567-L1581 HydrophobicContact CD2-CD1 4.43Å; L1581-I1583 HydrophobicContact CD2-CD1 4.21Å; L1581-I1583 HydrophobicContact CD2-CG1 4.26Å; L1581-I1583 HydrophobicContact CG-CG1 4.28Å |
| 1582 | T | 90.4 | Very high | 77.5 | Confident | 27 Ų | 27 | 73.9 Ų | 73.9 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.5 | 179.6 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | C1298 T1299 F1564 S1565 G1566 | C1298-T1582 CarbonylContact O-C 3.5Å; C1298-T1582 WeakPolarHBondContact O-CA 3.17Å; T1299-T1582 WeakPolarHBondContact OG1-CG2 3.36Å; T1299-T1582 PolarHBondContact OG1-OG1 3.08Å; T1299-T1582 VanDerWaalsContact OG1-OG1 3.1Å; F1564-T1582 CarbonylContact C-O 3.59Å; S1565-T1582 PolarHBondContact N-O 2.86Å; S1565-T1582 WeakPolarHBondContact OG-CB 3.49Å; S1565-T1582 WeakPolarHBondContact OG-CG2 3.48Å; S1565-T1582 PolarHBondContact OG-O 3.05Å; G1566-T1582 PolarHBondContact N-O 3.49Å; G1566-T1582 PolarHBondContact O-N 2.88Å |
| 1583 | I | 89 | Confident | 78 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.4 | -177.7 | -53.8 | 179.7 | 0 | 0 | 0 | 109.7 | S1297 C1298 F1300 L1333 R1563 F1564 L1581 I1593 L1597 | S1297-I1583 CarbonylContact C-O 3.46Å; S1297-I1583 WeakPolarHBondContact CA-O 3.3Å; C1298-I1583 PolarHBondContact N-O 2.96Å; C1298-I1583 PolarHBondContact O-N 2.86Å; F1300-I1583 HydrophobicContact CD2-CD1 4.18Å; F1300-I1583 HydrophobicContact CE2-CD1 4.02Å; L1333-I1583 HydrophobicContact CD2-CD1 4.22Å; R1563-I1583 HydrophobicContact CB-CG2 4.22Å; R1563-I1583 CarbonylContact O-C 3.6Å; R1563-I1583 VanDerWaalsContact O-CA 3.31Å; R1563-I1583 WeakPolarHBondContact O-CA 3.42Å; F1564-I1583 HydrophobicContact CD1-CD1 4.42Å; F1564-I1583 HydrophobicContact CD1-CG1 3.95Å; F1564-I1583 HydrophobicContact CE1-CD1 4.02Å; F1564-I1583 HydrophobicContact CE1-CG1 4.06Å; L1581-I1583 HydrophobicContact CD2-CD1 4.21Å; L1581-I1583 HydrophobicContact CD2-CG1 4.26Å; L1581-I1583 HydrophobicContact CG-CG1 4.28Å; I1583-I1593 HydrophobicContact CG2-CD1 4.29Å; I1583-L1597 HydrophobicContact CG2-CD1 4.31Å |
| 1584 | C | 86.9 | Confident | 78.5 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.2 | 173.9 | -164.3 | 0 | 0 | 0 | 0 | 110.5 | R1563 F1586 | R1563-C1584 HydrophobicContact CB-CB 4.5Å; R1563-C1584 PolarHBondContact O-N 3.44Å; C1584-F1586 PolarHBondContact SG-O 3.39Å |
| 1585 | M | 82 | Confident | 79.1 | Confident | 38 Ų | 38 | 62.4 Ų | 62.4 | 19% | 0.187 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -79.2 | -25.5 | -177 | -59.3 | -60 | -67.1 | 0 | 0 | 112.7 | D1296 C1298 R1563 R1592 I1593 L1597 | D1296-M1585 WeakPolarHBondContact O-CA 3.33Å; D1296-M1585 WeakPolarHBondContact O-CB 3.24Å; D1296-M1585 WeakPolarHBondContact O-CG 3.47Å; D1296-M1585 PolarHBondContact O-N 2.93Å; C1298-M1585 HydrophobicContact CB-CG 4.2Å; C1298-M1585 HydrophobicContact CB-SD 3.71Å; R1563-M1585 PolarHBondContact NH1-O 3.28Å; M1585-R1592 WeakPolarHBondContact O-CA 3.42Å; M1585-I1593 HydrophobicContact CE-CB 4.36Å; M1585-I1593 PolarHBondContact O-N 3.42Å; M1585-L1597 HydrophobicContact CE-CD1 3.9Å; M1585-L1597 HydrophobicContact SD-CD1 3.41Å; M1585-L1597 WeakPolarHBondContact SD-CD1 3.31Å |
| 1586 | F | 76.4 | Confident | 79.6 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.8 | -177 | -178.9 | -102.9 | 0 | 0 | 0 | 110.7 | D1296 C1584 P1588 R1592 | D1296-F1586 HydrophobicContact CB-CB 4.12Å; C1584-F1586 PolarHBondContact SG-O 3.39Å; F1586-P1588 HydrophobicContact CE1-CG 4.2Å; F1586-R1592 HydrophobicContact CD2-CB 4.16Å; F1586-R1592 HydrophobicContact CD2-CG 4.44Å |
| 1587 | D | 72.5 | Confident | 79.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.2 | 167 | -170.9 | -38.6 | 0 | 0 | 0 | 107.9 | K1589 E1590 G1591 | D1587-K1589 PolarHBondContact O-N 2.65Å; D1587-K1589 VanDerWaalsContact O-N 3.12Å; D1587-K1589 PolarHBondContact OD1-N 3.31Å; D1587-E1590 HydrophobicContact CB-CB 4.42Å; D1587-E1590 PolarHBondContact O-N 2.97Å; D1587-G1591 PolarHBondContact N-O 3.25Å; D1587-G1591 WeakPolarHBondContact O-CA 3.02Å; D1587-G1591 PolarHBondContact O-N 3.14Å |
| 1588 | P | 69.4 | Low | 79.9 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 73% | 0.734 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.1 | 177.1 | -24.8 | 32.4 | 0 | 0 | 0 | 114.8 | F1586 | F1586-P1588 HydrophobicContact CE1-CG 4.2Š|
| 1589 | K | 69.3 | Low | 79.7 | Confident | 196 Ų | 196 | 61.4 Ų | 61.4 | 85% | 0.852 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -34.1 | -176.3 | -66.5 | -178.4 | 179.8 | 177.6 | 0 | 113.6 | D1587 | D1587-K1589 PolarHBondContact O-N 2.65Å; D1587-K1589 VanDerWaalsContact O-N 3.12Å; D1587-K1589 PolarHBondContact OD1-N 3.31Å |
| 1590 | E | 65.8 | Low | 79.5 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -6.3 | -170.2 | -70.8 | -179.4 | 175.9 | 0 | 0 | 113.2 | R1563 D1587 | R1563-E1590 IonicContact CZ-OE2 3.66Å; R1563-E1590 IonicContact NE-OE2 3.84Å; R1563-E1590 PolarHBondContact NE-OE2 3.46Å; R1563-E1590 IonicContact NH2-OE2 3.86Å; R1563-E1590 PolarHBondContact NH2-OE2 3.28Å; D1587-E1590 HydrophobicContact CB-CB 4.42Å; D1587-E1590 PolarHBondContact O-N 2.97Å |
| 1591 | G | 71.6 | Confident | 79.3 | Confident | 28 Ų | 28 | 58 Ų | 58 | 29% | 0.289 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.4 | -171.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1563 D1587 | R1563-G1591 PolarHBondContact NH1-O 3.2Å; R1563-G1591 PolarHBondContact NH2-O 2.92Å; R1563-G1591 VanDerWaalsContact NH2-O 3.13Å; D1587-G1591 PolarHBondContact N-O 3.25Å; D1587-G1591 WeakPolarHBondContact O-CA 3.02Å; D1587-G1591 PolarHBondContact O-N 3.14Å |
| 1592 | R | 75 | Confident | 79 | Confident | 152 Ų | 152 | 59.4 Ų | 59.4 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 136.2 | -179 | -153.4 | 177.1 | -156.5 | 171.1 | 8 | 110.2 | D1296 M1585 F1586 S1594 | D1296-R1592 IonicContact OD1-CZ 3.52Å; D1296-R1592 IonicContact OD1-NH2 3.47Å; D1296-R1592 PolarHBondContact OD1-NH2 3.43Å; D1296-R1592 IonicContact OD2-NH2 3.92Å; M1585-R1592 WeakPolarHBondContact O-CA 3.42Å; F1586-R1592 HydrophobicContact CD2-CB 4.16Å; F1586-R1592 HydrophobicContact CD2-CG 4.44Å; R1592-S1594 PolarHBondContact O-N 3.09Å; R1592-S1594 VanDerWaalsContact O-N 3.15Å |
| 1593 | I | 75.2 | Confident | 78.7 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | trans | -62.2 | 116.7 | 172.1 | -59.2 | 176.6 | 0 | 0 | 0 | 108 | L1337 L1341 I1583 M1585 I1595 L1597 | L1337-I1593 HydrophobicContact CD1-CD1 4.35Å; L1341-I1593 HydrophobicContact CD2-CG1 4.4Å; I1583-I1593 HydrophobicContact CG2-CD1 4.29Å; M1585-I1593 HydrophobicContact CE-CB 4.36Å; M1585-I1593 PolarHBondContact O-N 3.42Å; I1593-I1595 HydrophobicContact CG2-CB 4.01Å; I1593-I1595 HydrophobicContact CG2-CD1 4.11Å; I1593-L1597 HydrophobicContact CD1-CD1 4.3Å; I1593-L1597 HydrophobicContact CG2-CD2 4.45Å; I1593-L1597 HydrophobicContact CG2-CG 4.37Å | ||
| 1594 | S | 74.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 65.8 Ų | 65.8 | 71% | 0.713 | 33% | 0.332 | S | S | * | . | trans | -95.3 | 2.1 | 171.2 | 68.4 | 0 | 0 | 0 | 0 | 114 | Q1344 R1592 | Q1344-S1594 VanDerWaalsContact NE2-C 3.3Å; Q1344-S1594 PolarHBondContact NE2-OG 3.38Å; R1592-S1594 PolarHBondContact O-N 3.09Å; R1592-S1594 VanDerWaalsContact O-N 3.15Å | ||
| 1595 | I | 75.7 | Confident | 78.5 | Confident | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.5 | 140.8 | 175 | -61.6 | 112.2 | 0 | 0 | 0 | 109.6 | E1340 Q1344 I1593 L1597 | E1340-I1595 HydrophobicContact CB-CD1 3.57Å; E1340-I1595 HydrophobicContact CB-CG1 3.98Å; Q1344-I1595 HydrophobicContact CG-CD1 4.22Å; I1593-I1595 HydrophobicContact CG2-CB 4.01Å; I1593-I1595 HydrophobicContact CG2-CD1 4.11Å; I1595-L1597 PolarHBondContact O-N 2.98Å; I1595-L1597 VanDerWaalsContact O-N 3.11Å |
| 1596 | D | 80.3 | Confident | 78.4 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | trans | -71.4 | 97.7 | 164.3 | 178.9 | 12.4 | 0 | 0 | 0 | 110.8 | E1598 T1599 L1600 | D1596-E1598 PolarHBondContact O-N 2.88Å; D1596-E1598 PolarHBondContact OD1-N 3.12Å; D1596-E1598 VanDerWaalsContact OD1-N 3.15Å; D1596-T1599 PolarHBondContact O-N 3.36Å; D1596-T1599 WeakPolarHBondContact OD2-CB 3.29Å; D1596-T1599 PolarHBondContact OD2-OG1 3.32Å; D1596-L1600 PolarHBondContact O-N 2.91Å | ||
| 1597 | L | 83.2 | Confident | 78.7 | Confident | 6 Ų | 6 | 68.1 Ų | 68.1 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -30.8 | -179.2 | -73.2 | 171.2 | 0 | 0 | 0 | 113 | F1300 L1337 I1583 M1585 I1593 I1595 L1600 I1601 | F1300-L1597 HydrophobicContact CE2-CB 4.15Å; F1300-L1597 HydrophobicContact CE2-CD1 4.25Å; F1300-L1597 HydrophobicContact CZ-CB 3.67Å; F1300-L1597 HydrophobicContact CZ-CD1 4.43Å; L1337-L1597 HydrophobicContact CD1-CD2 3.86Å; I1583-L1597 HydrophobicContact CG2-CD1 4.31Å; M1585-L1597 HydrophobicContact CE-CD1 3.9Å; M1585-L1597 HydrophobicContact SD-CD1 3.41Å; M1585-L1597 WeakPolarHBondContact SD-CD1 3.31Å; I1593-L1597 HydrophobicContact CD1-CD1 4.3Å; I1593-L1597 HydrophobicContact CG2-CD2 4.45Å; I1593-L1597 HydrophobicContact CG2-CG 4.37Å; I1595-L1597 PolarHBondContact O-N 2.98Å; I1595-L1597 VanDerWaalsContact O-N 3.11Å; L1597-L1600 PolarHBondContact O-N 3.41Å; L1597-I1601 WeakPolarHBondContact O-CB 3.3Å; L1597-I1601 VanDerWaalsContact O-CG1 3.3Å; L1597-I1601 WeakPolarHBondContact O-CG1 3.38Å; L1597-I1601 PolarHBondContact O-N 2.96Å |
| 1598 | E | 83.1 | Confident | 79.4 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 36% | 0.36 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 178.7 | -174 | -177.9 | 174.2 | 0 | 0 | 109.9 | D1596 L1600 I1601 M1602 | D1596-E1598 PolarHBondContact O-N 2.88Å; D1596-E1598 PolarHBondContact OD1-N 3.12Å; D1596-E1598 VanDerWaalsContact OD1-N 3.15Å; E1598-L1600 VanDerWaalsContact C-N 3.3Å; E1598-L1600 PolarHBondContact O-N 3.06Å; E1598-I1601 PolarHBondContact O-N 3.29Å; E1598-M1602 HydrophobicContact CG-CG 4.37Å; E1598-M1602 WeakPolarHBondContact O-CB 3.37Å; E1598-M1602 VanDerWaalsContact O-CG 3.24Å; E1598-M1602 WeakPolarHBondContact O-CG 3.25Å; E1598-M1602 PolarHBondContact O-N 3.17Å |
| 1599 | T | 82.5 | Confident | 80.1 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 176.3 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | D1596 R1603 | D1596-T1599 PolarHBondContact O-N 3.36Å; D1596-T1599 WeakPolarHBondContact OD2-CB 3.29Å; D1596-T1599 PolarHBondContact OD2-OG1 3.32Å; T1599-R1603 WeakPolarHBondContact O-CB 3.46Å; T1599-R1603 VanDerWaalsContact O-CG 3.26Å; T1599-R1603 WeakPolarHBondContact O-CG 3.14Å; T1599-R1603 PolarHBondContact O-N 3.23Å |
| 1600 | L | 84.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 177.3 | -176.5 | 66.8 | 0 | 0 | 0 | 112 | L1333 R1336 L1337 D1596 L1597 E1598 R1603 L1604 | L1333-L1600 HydrophobicContact CD1-CD2 3.97Å; L1333-L1600 HydrophobicContact CD1-CG 4.28Å; R1336-L1600 HydrophobicContact CB-CD1 4.35Å; L1337-L1600 HydrophobicContact CD1-CD2 4.47Å; D1596-L1600 PolarHBondContact O-N 2.91Å; L1597-L1600 PolarHBondContact O-N 3.41Å; E1598-L1600 VanDerWaalsContact C-N 3.3Å; E1598-L1600 PolarHBondContact O-N 3.06Å; L1600-R1603 PolarHBondContact O-N 3.26Å; L1600-L1604 HydrophobicContact CG-CD1 4.36Å; L1600-L1604 PolarHBondContact O-N 3.08Å |
| 1601 | I | 87.2 | Confident | 81.7 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.2 | -69 | 169 | 0 | 0 | 0 | 110.8 | I1287 F1300 F1302 L1333 L1597 E1598 L1604 I1605 | I1287-I1601 HydrophobicContact CD1-CG2 3.62Å; F1300-I1601 HydrophobicContact CD1-CD1 3.79Å; F1300-I1601 HydrophobicContact CD2-CD1 3.64Å; F1300-I1601 HydrophobicContact CE1-CD1 3.78Å; F1300-I1601 HydrophobicContact CE2-CD1 3.63Å; F1300-I1601 HydrophobicContact CG-CD1 3.71Å; F1300-I1601 HydrophobicContact CZ-CD1 3.71Å; F1302-I1601 HydrophobicContact CE1-CG2 3.97Å; F1302-I1601 HydrophobicContact CZ-CG2 4.15Å; L1333-I1601 HydrophobicContact CD1-CG1 3.82Å; L1333-I1601 HydrophobicContact CD2-CD1 4.37Å; L1333-I1601 HydrophobicContact CD2-CG1 4.14Å; L1597-I1601 WeakPolarHBondContact O-CB 3.3Å; L1597-I1601 VanDerWaalsContact O-CG1 3.3Å; L1597-I1601 WeakPolarHBondContact O-CG1 3.38Å; L1597-I1601 PolarHBondContact O-N 2.96Å; E1598-I1601 PolarHBondContact O-N 3.29Å; I1601-L1604 WeakPolarHBondContact O-CB 3.29Å; I1601-L1604 PolarHBondContact O-N 3.44Å; I1601-I1605 HydrophobicContact CG2-CD1 3.77Å; I1601-I1605 HydrophobicContact CG2-CG1 4.42Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.41Å; I1601-I1605 PolarHBondContact O-N 3.12Å |
| 1602 | M | 84.5 | Confident | 82.2 | Confident | 31 Ų | 31 | 51.7 Ų | 51.7 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 177.5 | -70.7 | -65 | -81.3 | 0 | 0 | 112 | T886 L1285 I1287 E1598 L1604 I1605 N1606 | T886-M1602 HydrophobicContact CG2-CE 3.85Å; L1285-M1602 HydrophobicContact CD1-CE 4.38Å; L1285-M1602 HydrophobicContact CD2-CE 4.09Å; L1285-M1602 HydrophobicContact CD2-SD 3.96Å; I1287-M1602 HydrophobicContact CD1-SD 3.84Å; I1287-M1602 HydrophobicContact CG1-SD 4.2Å; E1598-M1602 HydrophobicContact CG-CG 4.37Å; E1598-M1602 WeakPolarHBondContact O-CB 3.37Å; E1598-M1602 VanDerWaalsContact O-CG 3.24Å; E1598-M1602 WeakPolarHBondContact O-CG 3.25Å; E1598-M1602 PolarHBondContact O-N 3.17Å; M1602-L1604 VanDerWaalsContact C-N 3.33Å; M1602-L1604 PolarHBondContact O-N 3.45Å; M1602-I1605 PolarHBondContact O-N 3.02Å; M1602-I1605 HydrophobicContact SD-CD1 4.39Å; M1602-N1606 VanDerWaalsContact O-CG 3.25Å; M1602-N1606 PolarHBondContact O-N 3.31Å; M1602-N1606 VanDerWaalsContact O-N 3.09Å; M1602-N1606 PolarHBondContact O-ND2 2.89Å; M1602-N1606 VanDerWaalsContact O-ND2 3.17Å |
| 1603 | R | 83.3 | Confident | 82.6 | Confident | 159 Ų | 159 | 45.2 Ų | 45.2 | 60% | 0.6 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.3 | -41.7 | 171.9 | -77.9 | 176 | -176.8 | 174.9 | 2.8 | 111.9 | T1599 L1600 R1607 | T1599-R1603 WeakPolarHBondContact O-CB 3.46Å; T1599-R1603 VanDerWaalsContact O-CG 3.26Å; T1599-R1603 WeakPolarHBondContact O-CG 3.14Å; T1599-R1603 PolarHBondContact O-N 3.23Å; L1600-R1603 PolarHBondContact O-N 3.26Å; R1603-R1607 PolarHBondContact O-N 3.48Å |
| 1604 | L | 86.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -51.8 | 175.4 | -83.6 | 158.6 | 0 | 0 | 0 | 111.4 | L1329 D1332 L1333 L1600 I1601 M1602 N1606 R1607 S1608 | L1329-L1604 HydrophobicContact CD1-CB 3.92Å; D1332-L1604 HydrophobicContact CB-CD2 3.94Å; D1332-L1604 VanDerWaalsContact CG-CD2 3.42Å; D1332-L1604 WeakPolarHBondContact OD2-CD2 3.38Å; L1333-L1604 HydrophobicContact CB-CD1 3.86Å; L1333-L1604 HydrophobicContact CD1-CD1 3.47Å; L1333-L1604 VanDerWaalsContact CD1-CD1 3.47Å; L1333-L1604 HydrophobicContact CG-CD1 4.26Å; L1600-L1604 HydrophobicContact CG-CD1 4.36Å; L1600-L1604 PolarHBondContact O-N 3.08Å; I1601-L1604 WeakPolarHBondContact O-CB 3.29Å; I1601-L1604 PolarHBondContact O-N 3.44Å; M1602-L1604 VanDerWaalsContact C-N 3.33Å; M1602-L1604 PolarHBondContact O-N 3.45Å; L1604-N1606 VanDerWaalsContact C-N 3.32Å; L1604-N1606 PolarHBondContact O-N 3.49Å; L1604-R1607 PolarHBondContact O-N 3.06Å; L1604-R1607 VanDerWaalsContact O-N 3.08Å; L1604-S1608 PolarHBondContact O-N 3.44Å; L1604-S1608 PolarHBondContact O-OG 3.12Å |
| 1605 | I | 86.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.3 | -41.5 | -179.2 | -70.6 | 164.1 | 0 | 0 | 0 | 112.4 | L1279 L1283 I1287 F1302 L1329 I1601 M1602 R1607 S1608 | L1279-I1605 HydrophobicContact CB-CG2 4.35Å; L1279-I1605 HydrophobicContact CD2-CB 4.41Å; L1279-I1605 HydrophobicContact CD2-CG1 4Å; L1279-I1605 HydrophobicContact CD2-CG2 4.33Å; L1279-I1605 HydrophobicContact CG-CG2 4.23Å; L1283-I1605 HydrophobicContact CD1-CD1 4Å; L1283-I1605 HydrophobicContact CD1-CG1 4.25Å; L1283-I1605 HydrophobicContact CD1-CG2 4.13Å; I1287-I1605 HydrophobicContact CD1-CD1 3.26Å; I1287-I1605 HydrophobicContact CG1-CD1 4.21Å; F1302-I1605 HydrophobicContact CE1-CD1 4.16Å; L1329-I1605 HydrophobicContact CD1-CG1 4.34Å; L1329-I1605 HydrophobicContact CD2-CG1 4.38Å; I1601-I1605 HydrophobicContact CG2-CD1 3.77Å; I1601-I1605 HydrophobicContact CG2-CG1 4.42Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.41Å; I1601-I1605 PolarHBondContact O-N 3.12Å; M1602-I1605 PolarHBondContact O-N 3.02Å; M1602-I1605 HydrophobicContact SD-CD1 4.39Å; I1605-R1607 VanDerWaalsContact C-N 3.28Å; I1605-R1607 PolarHBondContact O-N 3.29Å; I1605-S1608 PolarHBondContact O-N 3.43Å |
| 1606 | N | 80 | Confident | 83.8 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -28.9 | 179.7 | -69.2 | -25.7 | 0 | 0 | 0 | 113.3 | T886 M1602 L1604 | T886-N1606 WeakPolarHBondContact CG2-ND2 3.1Å; M1602-N1606 VanDerWaalsContact O-CG 3.25Å; M1602-N1606 PolarHBondContact O-N 3.31Å; M1602-N1606 VanDerWaalsContact O-N 3.09Å; M1602-N1606 PolarHBondContact O-ND2 2.89Å; M1602-N1606 VanDerWaalsContact O-ND2 3.17Å; L1604-N1606 VanDerWaalsContact C-N 3.32Å; L1604-N1606 PolarHBondContact O-N 3.49Å |
| 1607 | R | 83.1 | Confident | 83.8 | Confident | 172 Ų | 172 | 47.6 Ų | 47.6 | 65% | 0.649 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -82 | -29.9 | 176.4 | -172.2 | 176.9 | 174.1 | 177.2 | -0.3 | 111.5 | R1603 L1604 I1605 | R1603-R1607 PolarHBondContact O-N 3.48Å; L1604-R1607 PolarHBondContact O-N 3.06Å; L1604-R1607 VanDerWaalsContact O-N 3.08Å; I1605-R1607 VanDerWaalsContact C-N 3.28Å; I1605-R1607 PolarHBondContact O-N 3.29Å |
| 1608 | S | 86.7 | Confident | 83.6 | Confident | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | trans | -71.5 | 131.7 | -177.8 | -65.6 | 0 | 0 | 0 | 0 | 113.6 | L1279 L1604 I1605 | L1279-S1608 PolarHBondContact N-O 3.24Å; L1604-S1608 PolarHBondContact O-N 3.44Å; L1604-S1608 PolarHBondContact O-OG 3.12Å; I1605-S1608 PolarHBondContact O-N 3.43Å | ||
| 1609 | V | 84.7 | Confident | 83.6 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.4 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | K1276 L1277 F1324 | K1276-V1609 HydrophobicContact CG-CG1 3.81Å; L1277-V1609 WeakPolarHBondContact O-CG1 3.4Å; F1324-V1609 WeakPolarHBondContact CE2-O 3.35Å; F1324-V1609 WeakPolarHBondContact CZ-O 3.44Å |
| 1610 | V | 84.2 | Confident | 83.7 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -39.7 | -174.5 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | L1277 L1279 T1282 V1316 V1321 F1324 | L1277-V1610 HydrophobicContact CD2-CB 4.36Å; L1277-V1610 PolarHBondContact O-N 2.94Å; L1279-V1610 HydrophobicContact CB-CG2 3.97Å; L1279-V1610 HydrophobicContact CD1-CG2 3.68Å; L1279-V1610 HydrophobicContact CG-CG2 4.45Å; T1282-V1610 HydrophobicContact CG2-CG2 4.4Å; V1316-V1610 HydrophobicContact CG1-CG1 3.93Å; V1321-V1610 HydrophobicContact CG2-CG1 4.3Å; F1324-V1610 HydrophobicContact CD1-CG2 4.45Å; F1324-V1610 HydrophobicContact CG-CG2 4.46Å |
| 1611 | S | 82.9 | Confident | 83.8 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 127 | 179.9 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | K1276 L1277 | K1276-S1611 CarbonylContact C-O 3.51Å; K1276-S1611 WeakPolarHBondContact CA-O 3.48Å; L1277-S1611 PolarHBondContact N-O 3.32Å |
| 1612 | S | 83.3 | Confident | 83.6 | Confident | 57 Ų | 57 | 52.8 Ų | 52.8 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | trans | -155.6 | 147.7 | 172.1 | 56.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1613 | V | 84.2 | Confident | 83.6 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -87.8 | 126.1 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | F1274 G1615 I1616 E1640 | F1274-V1613 HydrophobicContact CD1-CB 4.4Å; F1274-V1613 HydrophobicContact CD1-CG2 3.54Å; F1274-V1613 HydrophobicContact CE1-CG2 4.03Å; F1274-V1613 HydrophobicContact CG-CG2 4.45Å; V1613-G1615 PolarHBondContact O-N 3.46Å; V1613-I1616 HydrophobicContact CB-CB 4.3Å; V1613-I1616 HydrophobicContact CB-CD1 4.27Å; V1613-I1616 HydrophobicContact CG1-CB 4.47Å; V1613-I1616 HydrophobicContact CG1-CD1 3.82Å; V1613-I1616 HydrophobicContact CG1-CG1 4.19Å; V1613-I1616 PolarHBondContact O-N 3.37Å; V1613-I1616 VanDerWaalsContact O-N 3.15Å; V1613-E1640 HydrophobicContact CG1-CB 4.37Å; V1613-E1640 HydrophobicContact CG1-CG 3.98Å | ||
| 1614 | P | 84.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 66% | 0.656 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 134.3 | 176.8 | -25.3 | 34.1 | 0 | 0 | 0 | 111.4 | I1616 N1637 | P1614-I1616 VanDerWaalsContact C-N 3.27Å; P1614-I1616 PolarHBondContact O-N 3.17Å; P1614-N1637 PolarHBondContact O-ND2 3.43Å |
| 1615 | G | 80.9 | Confident | 82.6 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 46% | 0.464 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V1613 G1635 I1636 | V1613-G1615 PolarHBondContact O-N 3.46Å; G1615-G1635 CarbonylContact O-C 3.55Å; G1615-G1635 VanDerWaalsContact O-C 3.25Å; G1615-G1635 WeakPolarHBondContact O-CA 3.47Å; G1615-I1636 PolarHBondContact O-N 3.47Å |
| 1616 | I | 85.3 | Confident | 81.8 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.6 | 174.4 | -60.5 | 178.9 | 0 | 0 | 0 | 109.5 | F1274 V1613 P1614 T1619 V1633 N1637 M1641 | F1274-I1616 HydrophobicContact CB-CG2 4.41Å; F1274-I1616 HydrophobicContact CD2-CD1 4.18Å; F1274-I1616 HydrophobicContact CE2-CD1 4.38Å; F1274-I1616 HydrophobicContact CG-CD1 4.32Å; V1613-I1616 HydrophobicContact CB-CB 4.3Å; V1613-I1616 HydrophobicContact CB-CD1 4.27Å; V1613-I1616 HydrophobicContact CG1-CB 4.47Å; V1613-I1616 HydrophobicContact CG1-CD1 3.82Å; V1613-I1616 HydrophobicContact CG1-CG1 4.19Å; V1613-I1616 PolarHBondContact O-N 3.37Å; V1613-I1616 VanDerWaalsContact O-N 3.15Å; P1614-I1616 VanDerWaalsContact C-N 3.27Å; P1614-I1616 PolarHBondContact O-N 3.17Å; I1616-T1619 HydrophobicContact CG2-CG2 4.16Å; I1616-V1633 HydrophobicContact CB-CG1 4.25Å; I1616-V1633 HydrophobicContact CD1-CG1 3.99Å; I1616-V1633 HydrophobicContact CG1-CG1 3.86Å; I1616-V1633 HydrophobicContact CG2-CG1 3.56Å; I1616-N1637 HydrophobicContact CD1-CB 4.3Å; I1616-N1637 HydrophobicContact CG1-CB 4.01Å; I1616-M1641 HydrophobicContact CD1-CE 3.61Å |
| 1617 | E | 79.7 | Confident | 81.4 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -44.4 | 176.6 | -60.1 | -158.1 | 144.7 | 0 | 0 | 112 | E1634 | E1617-E1634 PolarHBondContact N-O 2.57Å |
| 1618 | K | 77.7 | Confident | 81.3 | Confident | 97 Ų | 97 | 66 Ų | 66 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 154.4 | -173 | -172 | 177.4 | 157.6 | -140.7 | 0 | 111.9 | V1633 E1634 | K1618-V1633 CarbonylContact O-C 3.22Å; K1618-V1633 WeakPolarHBondContact O-CA 3.32Å; K1618-E1634 HydrophobicContact CB-CB 4.09Å; K1618-E1634 HydrophobicContact CB-CG 4.33Å; K1618-E1634 PolarHBondContact N-O 3.19Å; K1618-E1634 IonicContact NZ-OE1 3.89Å; K1618-E1634 PolarHBondContact NZ-OE1 3.15Å; K1618-E1634 PolarHBondContact O-N 2.93Å |
| 1619 | T | 84.1 | Confident | 81.4 | Confident | 25 Ų | 25 | 67.8 Ų | 67.8 | 15% | 0.153 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 143.7 | 176 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | F1274 I1616 F1631 R1632 V1633 | F1274-T1619 HydrophobicContact CB-CG2 3.62Å; F1274-T1619 HydrophobicContact CD2-CG2 3.91Å; F1274-T1619 HydrophobicContact CG-CG2 4.29Å; I1616-T1619 HydrophobicContact CG2-CG2 4.16Å; T1619-F1631 HydrophobicContact CG2-CE1 4.06Å; T1619-F1631 HydrophobicContact CG2-CZ 4.07Å; T1619-R1632 CarbonylContact C-O 3.34Å; T1619-R1632 WeakPolarHBondContact CA-O 3.19Å; T1619-V1633 HydrophobicContact CG2-CG1 4.31Å; T1619-V1633 HydrophobicContact CG2-CG2 4.26Å |
| 1620 | I | 83.7 | Confident | 81.5 | Confident | 70 Ų | 70 | 67.6 Ų | 67.6 | 36% | 0.359 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.6 | 180 | -56.3 | 174.8 | 0 | 0 | 0 | 108.3 | R1632 | I1620-R1632 HydrophobicContact CB-CB 4.42Å; I1620-R1632 PolarHBondContact N-O 3.22Å; I1620-R1632 PolarHBondContact O-N 2.69Å |
| 1621 | I | 87.4 | Confident | 81.8 | Confident | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.185 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 109.2 | 172.2 | -56.3 | 177.9 | 0 | 0 | 0 | 107.9 | I1257 E1268 A1271 R1623 W1629 F1631 | I1257-I1621 HydrophobicContact CD1-CG2 4.22Å; E1268-I1621 HydrophobicContact CG-CD1 3.92Å; A1271-I1621 HydrophobicContact CB-CD1 4.16Å; I1621-R1623 HydrophobicContact CG2-CG 4.27Å; I1621-W1629 HydrophobicContact CG2-CE3 4.25Å; I1621-F1631 HydrophobicContact CD1-CD2 4.41Å; I1621-F1631 HydrophobicContact CD1-CE2 4.25Å; I1621-F1631 HydrophobicContact CG1-CD2 3.85Å; I1621-F1631 HydrophobicContact CG1-CE2 3.94Å |
| 1622 | D | 81.9 | Confident | 82 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 115.8 | 177.2 | -179.1 | 7 | 0 | 0 | 0 | 110.2 | S1624 M1630 R1632 | D1622-S1624 VanDerWaalsContact CG-OG 3.27Å; D1622-S1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-S1624 PolarHBondContact OD1-N 2.94Å; D1622-S1624 PolarHBondContact OD1-OG 3.39Å; D1622-S1624 PolarHBondContact OD2-OG 2.92Å; D1622-M1630 HydrophobicContact CB-CB 4.25Å; D1622-M1630 PolarHBondContact N-O 2.77Å; D1622-M1630 PolarHBondContact O-N 3.39Å; D1622-M1630 VanDerWaalsContact O-N 3.13Å; D1622-R1632 IonicContact OD2-CZ 3.07Å; D1622-R1632 IonicContact OD2-NE 2.63Å; D1622-R1632 IonicContact OD2-NH2 2.98Å; D1622-R1632 PolarHBondContact OD2-NH2 3.47Å |
| 1623 | R | 85.9 | Confident | 82.2 | Confident | 143 Ų | 143 | 67.6 Ų | 67.6 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | trans | -103.4 | 11.3 | -178.4 | -59.1 | 177.1 | 179.7 | 168.1 | -3.1 | 112.6 | E1268 I1621 K1625 | E1268-R1623 IonicContact OE1-CZ 2.81Å; E1268-R1623 IonicContact OE1-NH2 3.26Å; E1268-R1623 PolarHBondContact OE1-NH2 3.1Å; I1621-R1623 HydrophobicContact CG2-CG 4.27Å; R1623-K1625 VanDerWaalsContact C-N 3.29Å; R1623-K1625 PolarHBondContact O-N 2.9Å | ||
| 1624 | S | 72.6 | Confident | 82.2 | Confident | 85 Ų | 85 | 70.1 Ų | 70.1 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -59.7 | -36.1 | -176 | 57.2 | 0 | 0 | 0 | 0 | 113.5 | D1622 | D1622-S1624 VanDerWaalsContact CG-OG 3.27Å; D1622-S1624 WeakPolarHBondContact OD1-CB 3.39Å; D1622-S1624 PolarHBondContact OD1-N 2.94Å; D1622-S1624 PolarHBondContact OD1-OG 3.39Å; D1622-S1624 PolarHBondContact OD2-OG 2.92Å |
| 1625 | K | 75.3 | Confident | 82.1 | Confident | 133 Ų | 133 | 65.6 Ų | 65.6 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -103.3 | 112.1 | 175.5 | -66.5 | -179.4 | -176.6 | 174.9 | 0 | 110.1 | R1623 N1627 Q1628 | R1623-K1625 VanDerWaalsContact C-N 3.29Å; R1623-K1625 PolarHBondContact O-N 2.9Å; K1625-N1627 PolarHBondContact O-N 3.38Å; K1625-N1627 VanDerWaalsContact O-N 3.16Å; K1625-Q1628 CarbonylContact O-C 3.58Å; K1625-Q1628 PolarHBondContact O-N 3.03Å |
| 1626 | P | 69.5 | Low | 82.2 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 68% | 0.675 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.3 | -172.5 | 23.3 | -33 | 0 | 0 | 0 | 113.7 | ||
| 1627 | N | 72.9 | Confident | 82.3 | Confident | 149 Ų | 149 | 67 Ų | 67 | 80% | 0.797 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.9 | -177.7 | -65.8 | -3.8 | 0 | 0 | 0 | 113.9 | K1625 | K1625-N1627 PolarHBondContact O-N 3.38Å; K1625-N1627 VanDerWaalsContact O-N 3.16Å |
| 1628 | Q | 80.1 | Confident | 82.5 | Confident | 75 Ų | 75 | 61.4 Ų | 61.4 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | trans | -150.1 | 90.6 | -175.6 | -171.5 | 178.8 | 15.5 | 0 | 0 | 109 | P1256 K1625 M1630 | P1256-Q1628 HydrophobicContact CB-CG 4.5Å; K1625-Q1628 CarbonylContact O-C 3.58Å; K1625-Q1628 PolarHBondContact O-N 3.03Å; Q1628-M1630 HydrophobicContact CG-SD 4.28Å | ||
| 1629 | W | 88.5 | Confident | 82.9 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | trans | -72.7 | 136.4 | 173.9 | -66.1 | 12.2 | 0 | 0 | 0 | 108.9 | I1257 Q1264 I1621 | I1257-W1629 HydrophobicContact CB-CB 4.25Å; I1257-W1629 HydrophobicContact CD1-CB 3.86Å; I1257-W1629 HydrophobicContact CG1-CB 4.49Å; I1257-W1629 PolarHBondContact N-O 3.01Å; Q1264-W1629 HydrophobicContact CB-CE3 3.98Å; Q1264-W1629 HydrophobicContact CB-CH2 4.06Å; Q1264-W1629 HydrophobicContact CB-CZ3 3.58Å; Q1264-W1629 HydrophobicContact CG-CD2 3.98Å; Q1264-W1629 HydrophobicContact CG-CE3 3.59Å; Q1264-W1629 HydrophobicContact CG-CH2 4.08Å; Q1264-W1629 HydrophobicContact CG-CZ2 4.44Å; Q1264-W1629 HydrophobicContact CG-CZ3 3.66Å; I1621-W1629 HydrophobicContact CG2-CE3 4.25Å | ||
| 1630 | M | 87.7 | Confident | 83 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 16% | 0.163 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.1 | 179.9 | -67.1 | -65.4 | -62.8 | 0 | 0 | 109.8 | E1254 P1256 D1622 Q1628 | E1254-M1630 HydrophobicContact CB-CE 3.98Å; P1256-M1630 HydrophobicContact CB-SD 3.89Å; P1256-M1630 HydrophobicContact CG-CE 4.07Å; P1256-M1630 HydrophobicContact CG-SD 3.77Å; D1622-M1630 HydrophobicContact CB-CB 4.25Å; D1622-M1630 PolarHBondContact N-O 2.77Å; D1622-M1630 PolarHBondContact O-N 3.39Å; D1622-M1630 VanDerWaalsContact O-N 3.13Å; Q1628-M1630 HydrophobicContact CG-SD 4.28Å |
| 1631 | F | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.6 | 173 | -160.8 | -96.5 | 0 | 0 | 0 | 108.9 | E1254 V1255 I1257 I1270 A1271 F1274 T1619 I1621 V1633 F1648 | E1254-F1631 WeakPolarHBondContact CA-O 3.44Å; V1255-F1631 PolarHBondContact N-O 3.1Å; V1255-F1631 WeakPolarHBondContact O-CB 3.41Å; V1255-F1631 PolarHBondContact O-N 3.17Å; I1257-F1631 HydrophobicContact CD1-CB 4.13Å; I1257-F1631 HydrophobicContact CD1-CD2 4.27Å; I1257-F1631 HydrophobicContact CG1-CB 4.03Å; I1270-F1631 HydrophobicContact CG2-CZ 4.21Å; A1271-F1631 HydrophobicContact CB-CE2 4Å; A1271-F1631 HydrophobicContact CB-CZ 4.21Å; F1274-F1631 HydrophobicContact CD2-CE1 4.14Å; F1274-F1631 HydrophobicContact CD2-CZ 4.22Å; F1274-F1631 HydrophobicContact CE2-CE1 4.3Å; T1619-F1631 HydrophobicContact CG2-CE1 4.06Å; T1619-F1631 HydrophobicContact CG2-CZ 4.07Å; I1621-F1631 HydrophobicContact CD1-CD2 4.41Å; I1621-F1631 HydrophobicContact CD1-CE2 4.25Å; I1621-F1631 HydrophobicContact CG1-CD2 3.85Å; I1621-F1631 HydrophobicContact CG1-CE2 3.94Å; F1631-V1633 HydrophobicContact CD1-CG2 3.6Å; F1631-V1633 HydrophobicContact CE1-CG2 3.57Å; F1631-F1648 HydrophobicContact CB-CD1 4.22Å; F1631-F1648 HydrophobicContact CB-CE1 3.64Å; F1631-F1648 HydrophobicContact CB-CZ 4.46Å; F1631-F1648 AromaticContact CD1-CE1 3.85Å; F1631-F1648 HydrophobicContact CD1-CE1 3.85Å; F1631-F1648 AromaticContact CD1-CZ 3.8Å; F1631-F1648 HydrophobicContact CD1-CZ 3.8Å; F1631-F1648 AromaticContact CD2-CE1 3.79Å; F1631-F1648 HydrophobicContact CD2-CE1 3.79Å; F1631-F1648 HydrophobicContact CD2-CZ 4.07Å; F1631-F1648 HydrophobicContact CE1-CE1 4.44Å; F1631-F1648 AromaticContact CE1-CZ 3.97Å; F1631-F1648 HydrophobicContact CE1-CZ 3.97Å; F1631-F1648 HydrophobicContact CE2-CE1 4.39Å; F1631-F1648 HydrophobicContact CE2-CZ 4.23Å; F1631-F1648 HydrophobicContact CG-CD1 4.49Å; F1631-F1648 AromaticContact CG-CE1 3.49Å; F1631-F1648 HydrophobicContact CG-CE1 3.49Å; F1631-F1648 VanDerWaalsContact CG-CE1 3.49Å; F1631-F1648 AromaticContact CG-CZ 3.86Å; F1631-F1648 HydrophobicContact CG-CZ 3.86Å; F1631-F1648 HydrophobicContact CZ-CZ 4.19Å |
| 1632 | R | 87.2 | Confident | 83.1 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 36% | 0.362 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.7 | 178.6 | -54.1 | -167 | -166.6 | -165.4 | 5.3 | 110.1 | M1253 E1254 T1619 I1620 D1622 | M1253-R1632 CarbonylContact O-C 3.43Å; M1253-R1632 WeakPolarHBondContact O-CA 3.4Å; E1254-R1632 HydrophobicContact CG-CG 4.23Å; E1254-R1632 IonicContact OE1-CZ 3.44Å; E1254-R1632 IonicContact OE1-NE 3.1Å; E1254-R1632 IonicContact OE1-NH1 3.75Å; T1619-R1632 CarbonylContact C-O 3.34Å; T1619-R1632 WeakPolarHBondContact CA-O 3.19Å; I1620-R1632 HydrophobicContact CB-CB 4.42Å; I1620-R1632 PolarHBondContact N-O 3.22Å; I1620-R1632 PolarHBondContact O-N 2.69Å; D1622-R1632 IonicContact OD2-CZ 3.07Å; D1622-R1632 IonicContact OD2-NE 2.63Å; D1622-R1632 IonicContact OD2-NH2 2.98Å; D1622-R1632 PolarHBondContact OD2-NH2 3.47Å |
| 1633 | V | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.8 | -177.7 | -175 | 0 | 0 | 0 | 0 | 108.4 | C1252 M1253 I1616 K1618 T1619 F1631 M1641 | C1252-V1633 CarbonylContact C-O 3.58Å; C1252-V1633 VanDerWaalsContact CA-O 3.26Å; C1252-V1633 WeakPolarHBondContact CA-O 3.46Å; M1253-V1633 HydrophobicContact CB-CB 4.29Å; M1253-V1633 HydrophobicContact CE-CB 4.03Å; M1253-V1633 HydrophobicContact CE-CG1 3.84Å; M1253-V1633 PolarHBondContact N-O 3.29Å; M1253-V1633 PolarHBondContact O-N 3.18Å; I1616-V1633 HydrophobicContact CB-CG1 4.25Å; I1616-V1633 HydrophobicContact CD1-CG1 3.99Å; I1616-V1633 HydrophobicContact CG1-CG1 3.86Å; I1616-V1633 HydrophobicContact CG2-CG1 3.56Å; K1618-V1633 CarbonylContact O-C 3.22Å; K1618-V1633 WeakPolarHBondContact O-CA 3.32Å; T1619-V1633 HydrophobicContact CG2-CG1 4.31Å; T1619-V1633 HydrophobicContact CG2-CG2 4.26Å; F1631-V1633 HydrophobicContact CD1-CG2 3.6Å; F1631-V1633 HydrophobicContact CE1-CG2 3.57Å; V1633-M1641 HydrophobicContact CG2-SD 4.16Å |
| 1634 | E | 84.1 | Confident | 83.6 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.6 | 168.9 | -64.2 | 172.1 | -157.3 | 0 | 0 | 107.5 | E1617 K1618 | E1617-E1634 PolarHBondContact N-O 2.57Å; K1618-E1634 HydrophobicContact CB-CB 4.09Å; K1618-E1634 HydrophobicContact CB-CG 4.33Å; K1618-E1634 PolarHBondContact N-O 3.19Å; K1618-E1634 IonicContact NZ-OE1 3.89Å; K1618-E1634 PolarHBondContact NZ-OE1 3.15Å; K1618-E1634 PolarHBondContact O-N 2.93Å |
| 1635 | G | 82.2 | Confident | 84.3 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 112.9 | 168 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1251 G1615 | P1251-G1635 PolarHBondContact O-N 2.97Å; G1615-G1635 CarbonylContact O-C 3.55Å; G1615-G1635 VanDerWaalsContact O-C 3.25Å; G1615-G1635 WeakPolarHBondContact O-CA 3.47Å |
| 1636 | I | 83.2 | Confident | 84.9 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | trans | -121.5 | 115.4 | -179.1 | -65.8 | 153 | 0 | 0 | 0 | 109.4 | P1251 G1615 N1657 V1660 | P1251-I1636 HydrophobicContact CB-CD1 3.49Å; P1251-I1636 VanDerWaalsContact CB-CD1 3.49Å; P1251-I1636 HydrophobicContact CB-CG1 3.77Å; G1615-I1636 PolarHBondContact O-N 3.47Å; I1636-N1657 HydrophobicContact CD1-CB 3.58Å; I1636-N1657 WeakPolarHBondContact CD1-ND2 3.31Å; I1636-V1660 HydrophobicContact CD1-CG2 4.43Å; I1636-V1660 HydrophobicContact CG2-CG1 3.96Å; I1636-V1660 HydrophobicContact CG2-CG2 4.27Å | ||
| 1637 | N | 86.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | trans | -157.1 | 81 | 165.5 | -170.9 | -16.6 | 0 | 0 | 0 | 109.4 | M1253 P1614 I1616 I1639 E1640 M1641 | M1253-N1637 VanDerWaalsContact CE-N 3.29Å; P1614-N1637 PolarHBondContact O-ND2 3.43Å; I1616-N1637 HydrophobicContact CD1-CB 4.3Å; I1616-N1637 HydrophobicContact CG1-CB 4.01Å; N1637-I1639 VanDerWaalsContact C-N 3.3Å; N1637-I1639 PolarHBondContact O-N 3.15Å; N1637-I1639 PolarHBondContact OD1-N 2.9Å; N1637-E1640 HydrophobicContact CB-CB 4.48Å; N1637-E1640 PolarHBondContact O-N 3.29Å; N1637-E1640 PolarHBondContact OD1-N 2.88Å; N1637-E1640 VanDerWaalsContact OD1-N 3.13Å; N1637-M1641 PolarHBondContact O-N 2.79Å | ||
| 1638 | M | 85.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.044 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.4 | -32.6 | -178.2 | -64.4 | 172.5 | 75 | 0 | 0 | 112.1 | M1253 E1640 M1641 M1642 L1653 T1655 V1660 T1664 Y1665 | M1253-M1638 HydrophobicContact SD-CG 3.72Å; M1638-E1640 VanDerWaalsContact C-N 3.26Å; M1638-E1640 PolarHBondContact O-N 3.46Å; M1638-M1641 WeakPolarHBondContact O-CB 3.3Å; M1638-M1641 PolarHBondContact O-N 3.19Å; M1638-M1642 HydrophobicContact CB-CE 4.46Å; M1638-M1642 HydrophobicContact CE-CE 4.49Å; M1638-M1642 WeakPolarHBondContact O-CG 3.35Å; M1638-M1642 PolarHBondContact O-N 3.36Å; M1638-L1653 HydrophobicContact CE-CD2 3.41Å; M1638-L1653 VanDerWaalsContact CE-CD2 3.41Å; M1638-L1653 HydrophobicContact CG-CD2 4.36Å; M1638-T1655 HydrophobicContact SD-CG2 4.46Å; M1638-V1660 HydrophobicContact SD-CG1 3.56Å; M1638-V1660 VanDerWaalsContact SD-CG1 3.56Å; M1638-T1664 HydrophobicContact CE-CG2 3.68Å; M1638-T1664 HydrophobicContact SD-CG2 4.16Å; M1638-Y1665 HydrophobicContact CE-CD2 3.8Å; M1638-Y1665 HydrophobicContact CE-CE2 3.18Å |
| 1639 | I | 86.3 | Confident | 87.1 | Confident | 124 Ų | 124 | 45.6 Ų | 45.6 | 64% | 0.636 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.6 | -40.3 | 179.7 | -60.4 | 172.6 | 0 | 0 | 0 | 110.3 | N1637 M1642 | N1637-I1639 VanDerWaalsContact C-N 3.3Å; N1637-I1639 PolarHBondContact O-N 3.15Å; N1637-I1639 PolarHBondContact OD1-N 2.9Å; I1639-M1642 PolarHBondContact O-N 2.89Å |
| 1640 | E | 86.3 | Confident | 87 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -35.4 | 176.3 | -162.3 | 66.2 | -157.7 | 0 | 0 | 112.3 | F1274 V1613 N1637 M1638 M1642 R1643 | F1274-E1640 HydrophobicContact CE1-CG 3.77Å; F1274-E1640 HydrophobicContact CZ-CG 3.87Å; V1613-E1640 HydrophobicContact CG1-CB 4.37Å; V1613-E1640 HydrophobicContact CG1-CG 3.98Å; N1637-E1640 HydrophobicContact CB-CB 4.48Å; N1637-E1640 PolarHBondContact O-N 3.29Å; N1637-E1640 PolarHBondContact OD1-N 2.88Å; N1637-E1640 VanDerWaalsContact OD1-N 3.13Å; M1638-E1640 VanDerWaalsContact C-N 3.26Å; M1638-E1640 PolarHBondContact O-N 3.46Å; E1640-M1642 VanDerWaalsContact C-N 3.34Å; E1640-R1643 VanDerWaalsContact CD-NH1 3.3Å; E1640-R1643 WeakPolarHBondContact O-CB 3.26Å; E1640-R1643 PolarHBondContact O-N 3.11Å; E1640-R1643 IonicContact OE1-CZ 3Å; E1640-R1643 IonicContact OE1-NE 2.77Å; E1640-R1643 IonicContact OE1-NH1 3.82Å; E1640-R1643 PolarHBondContact OE1-NH1 3.28Å; E1640-R1643 IonicContact OE2-CZ 2.81Å; E1640-R1643 IonicContact OE2-NE 2.75Å; E1640-R1643 PolarHBondContact OE2-NE 2.75Å; E1640-R1643 IonicContact OE2-NH1 3.71Å; E1640-R1643 PolarHBondContact OE2-NH1 3.37Å; E1640-R1643 IonicContact OE2-NH2 3.36Å |
| 1641 | M | 86.6 | Confident | 87 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 175.5 | -63 | -52.1 | 96.3 | 0 | 0 | 111.8 | M1253 F1274 I1616 V1633 N1637 M1638 R1643 Y1644 L1653 | M1253-M1641 HydrophobicContact CE-CG 4.01Å; F1274-M1641 HydrophobicContact CD2-CE 4Å; F1274-M1641 HydrophobicContact CE1-CE 4.49Å; F1274-M1641 HydrophobicContact CE2-CE 3.11Å; F1274-M1641 HydrophobicContact CE2-SD 3.99Å; F1274-M1641 HydrophobicContact CZ-CE 3.4Å; F1274-M1641 VanDerWaalsContact CZ-CE 3.4Å; I1616-M1641 HydrophobicContact CD1-CE 3.61Å; V1633-M1641 HydrophobicContact CG2-SD 4.16Å; N1637-M1641 PolarHBondContact O-N 2.79Å; M1638-M1641 WeakPolarHBondContact O-CB 3.3Å; M1638-M1641 PolarHBondContact O-N 3.19Å; M1641-R1643 PolarHBondContact O-N 3.38Å; M1641-R1643 VanDerWaalsContact O-N 3.09Å; M1641-Y1644 PolarHBondContact O-N 3.33Å; M1641-Y1644 VanDerWaalsContact O-N 3.13Å; M1641-L1653 HydrophobicContact CB-CD1 3.98Å; M1641-L1653 HydrophobicContact CG-CD1 4.36Å |
| 1642 | M | 86.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 53.6 Ų | 53.6 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -14.2 | -179.6 | -70.2 | 179.4 | -175.7 | 0 | 0 | 113.6 | M1638 I1639 E1640 Y1644 T1664 | M1638-M1642 HydrophobicContact CB-CE 4.46Å; M1638-M1642 HydrophobicContact CE-CE 4.49Å; M1638-M1642 WeakPolarHBondContact O-CG 3.35Å; M1638-M1642 PolarHBondContact O-N 3.36Å; I1639-M1642 PolarHBondContact O-N 2.89Å; E1640-M1642 VanDerWaalsContact C-N 3.34Å; M1642-Y1644 PolarHBondContact O-N 3.45Å; M1642-T1664 HydrophobicContact CE-CG2 3.88Å |
| 1643 | R | 88 | Confident | 87 | Confident | 156 Ų | 156 | 49.6 Ų | 49.6 | 59% | 0.589 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.7 | 174.8 | -65.3 | 178.6 | 174.9 | -177.6 | -5 | 113.9 | E1640 M1641 P1645 | E1640-R1643 VanDerWaalsContact CD-NH1 3.3Å; E1640-R1643 WeakPolarHBondContact O-CB 3.26Å; E1640-R1643 PolarHBondContact O-N 3.11Å; E1640-R1643 IonicContact OE1-CZ 3Å; E1640-R1643 IonicContact OE1-NE 2.77Å; E1640-R1643 IonicContact OE1-NH1 3.82Å; E1640-R1643 PolarHBondContact OE1-NH1 3.28Å; E1640-R1643 IonicContact OE2-CZ 2.81Å; E1640-R1643 IonicContact OE2-NE 2.75Å; E1640-R1643 PolarHBondContact OE2-NE 2.75Å; E1640-R1643 IonicContact OE2-NH1 3.71Å; E1640-R1643 PolarHBondContact OE2-NH1 3.37Å; E1640-R1643 IonicContact OE2-NH2 3.36Å; M1641-R1643 PolarHBondContact O-N 3.38Å; M1641-R1643 VanDerWaalsContact O-N 3.09Å; R1643-P1645 WeakPolarHBondContact O-CD 3.5Å |
| 1644 | Y | 88.8 | Confident | 87.1 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | trans | -122 | 51.7 | -172.8 | -58.6 | -76.2 | 0 | 0 | 0 | 114.4 | I1270 K1273 F1274 M1641 M1642 Q1646 V1647 F1648 | I1270-Y1644 HydrophobicContact CD1-CD1 3.67Å; I1270-Y1644 HydrophobicContact CD1-CD2 4.28Å; I1270-Y1644 HydrophobicContact CD1-CE1 4.11Å; I1270-Y1644 HydrophobicContact CD1-CG 3.75Å; I1270-Y1644 HydrophobicContact CG1-CD1 4.22Å; I1270-Y1644 HydrophobicContact CG1-CE1 4.14Å; I1270-Y1644 HydrophobicContact CG1-CG 4.5Å; K1273-Y1644 PolarHBondContact NZ-OH 3.43Å; F1274-Y1644 HydrophobicContact CE1-CE2 4.34Å; F1274-Y1644 HydrophobicContact CZ-CD2 4.39Å; F1274-Y1644 AromaticContact CZ-CE2 3.9Å; F1274-Y1644 HydrophobicContact CZ-CE2 3.9Å; M1641-Y1644 PolarHBondContact O-N 3.33Å; M1641-Y1644 VanDerWaalsContact O-N 3.13Å; M1642-Y1644 PolarHBondContact O-N 3.45Å; Y1644-Q1646 PolarHBondContact O-N 3.42Å; Y1644-V1647 PolarHBondContact O-N 2.95Å; Y1644-V1647 VanDerWaalsContact O-N 3.12Å; Y1644-F1648 HydrophobicContact CD2-CE2 4.48Å; Y1644-F1648 HydrophobicContact CG-CE2 4.49Å; Y1644-F1648 PolarHBondContact O-N 3.13Å; Y1644-F1648 VanDerWaalsContact O-N 3.15Å | ||
| 1645 | P | 88.6 | Confident | 87.4 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 47% | 0.468 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24 | -178.5 | 27.8 | -36.3 | 0 | 0 | 0 | 114.1 | W1258 R1643 V1647 F1648 L1650 | W1258-P1645 PolarHBondContact NE1-O 3.24Å; R1643-P1645 WeakPolarHBondContact O-CD 3.5Å; P1645-V1647 VanDerWaalsContact C-N 3.27Å; P1645-V1647 PolarHBondContact O-N 3.33Å; P1645-F1648 VanDerWaalsContact O-O 3.13Å; P1645-L1650 HydrophobicContact CB-CD1 3.93Å |
| 1646 | Q | 87.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 48 Ų | 48 | 53% | 0.528 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -18.5 | 177.5 | 68.3 | -78.1 | 6.3 | 0 | 0 | 113.7 | Y1644 | Y1644-Q1646 PolarHBondContact O-N 3.42Š|
| 1647 | V | 88.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -43.8 | -179.5 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | I1257 W1258 A1263 L1266 I1270 Y1644 P1645 | I1257-V1647 HydrophobicContact CG2-CG1 4.33Å; W1258-V1647 VanDerWaalsContact CD1-C 3.47Å; W1258-V1647 VanDerWaalsContact CD1-O 3.29Å; W1258-V1647 PolarHBondContact N-O 3.29Å; A1263-V1647 HydrophobicContact CB-CG1 4.26Å; A1263-V1647 WeakPolarHBondContact O-CG1 3.24Å; L1266-V1647 HydrophobicContact CB-CG2 3.61Å; L1266-V1647 HydrophobicContact CD1-CG2 3.94Å; L1266-V1647 HydrophobicContact CG-CG2 4.43Å; I1270-V1647 HydrophobicContact CD1-CB 4.17Å; I1270-V1647 HydrophobicContact CD1-CG1 4.16Å; I1270-V1647 HydrophobicContact CD1-CG2 3.87Å; Y1644-V1647 PolarHBondContact O-N 2.95Å; Y1644-V1647 VanDerWaalsContact O-N 3.12Å; P1645-V1647 VanDerWaalsContact C-N 3.27Å; P1645-V1647 PolarHBondContact O-N 3.33Å |
| 1648 | F | 90.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -105.1 | 138.6 | -172.4 | -60.1 | -51.9 | 0 | 0 | 0 | 111.7 | V1255 I1257 W1258 I1270 F1631 Y1644 P1645 L1650 | V1255-F1648 HydrophobicContact CB-CB 4.47Å; V1255-F1648 HydrophobicContact CB-CD1 4.45Å; V1255-F1648 HydrophobicContact CG1-CB 3.69Å; V1255-F1648 HydrophobicContact CG1-CD1 4.49Å; V1255-F1648 HydrophobicContact CG1-CG 4.28Å; I1257-F1648 HydrophobicContact CG1-CD1 4.18Å; I1257-F1648 HydrophobicContact CG1-CE1 4.16Å; W1258-F1648 PolarHBondContact NE1-O 2.66Å; I1270-F1648 HydrophobicContact CD1-CE2 4.03Å; I1270-F1648 HydrophobicContact CD1-CZ 4.13Å; I1270-F1648 HydrophobicContact CG2-CE2 4.29Å; I1270-F1648 HydrophobicContact CG2-CZ 4.13Å; F1631-F1648 HydrophobicContact CB-CD1 4.22Å; F1631-F1648 HydrophobicContact CB-CE1 3.64Å; F1631-F1648 HydrophobicContact CB-CZ 4.46Å; F1631-F1648 AromaticContact CD1-CE1 3.85Å; F1631-F1648 HydrophobicContact CD1-CE1 3.85Å; F1631-F1648 AromaticContact CD1-CZ 3.8Å; F1631-F1648 HydrophobicContact CD1-CZ 3.8Å; F1631-F1648 AromaticContact CD2-CE1 3.79Å; F1631-F1648 HydrophobicContact CD2-CE1 3.79Å; F1631-F1648 HydrophobicContact CD2-CZ 4.07Å; F1631-F1648 HydrophobicContact CE1-CE1 4.44Å; F1631-F1648 AromaticContact CE1-CZ 3.97Å; F1631-F1648 HydrophobicContact CE1-CZ 3.97Å; F1631-F1648 HydrophobicContact CE2-CE1 4.39Å; F1631-F1648 HydrophobicContact CE2-CZ 4.23Å; F1631-F1648 HydrophobicContact CG-CD1 4.49Å; F1631-F1648 AromaticContact CG-CE1 3.49Å; F1631-F1648 HydrophobicContact CG-CE1 3.49Å; F1631-F1648 VanDerWaalsContact CG-CE1 3.49Å; F1631-F1648 AromaticContact CG-CZ 3.86Å; F1631-F1648 HydrophobicContact CG-CZ 3.86Å; F1631-F1648 HydrophobicContact CZ-CZ 4.19Å; Y1644-F1648 HydrophobicContact CD2-CE2 4.48Å; Y1644-F1648 HydrophobicContact CG-CE2 4.49Å; Y1644-F1648 PolarHBondContact O-N 3.13Å; Y1644-F1648 VanDerWaalsContact O-N 3.15Å; P1645-F1648 VanDerWaalsContact O-O 3.13Å; F1648-L1650 HydrophobicContact CB-CD2 4.18Å; F1648-L1650 PolarHBondContact O-N 3.39Å; F1648-L1650 VanDerWaalsContact O-N 3.1Å |
| 1649 | D | 89.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | trans | -79.5 | 89.4 | 168.3 | -176.2 | 5.5 | 0 | 0 | 0 | 109.7 | P1256 W1258 S1651 Q1652 | P1256-D1649 HydrophobicContact CB-CB 4.36Å; P1256-D1649 PolarHBondContact O-N 2.88Å; W1258-D1649 HydrophobicContact CD2-CB 4.36Å; W1258-D1649 HydrophobicContact CH2-CB 4.03Å; W1258-D1649 HydrophobicContact CZ2-CB 3.79Å; W1258-D1649 HydrophobicContact CZ3-CB 4.41Å; D1649-S1651 VanDerWaalsContact CG-OG 3.31Å; D1649-S1651 PolarHBondContact O-N 3.35Å; D1649-S1651 WeakPolarHBondContact OD1-CB 3.38Å; D1649-S1651 PolarHBondContact OD1-N 3.49Å; D1649-S1651 VanDerWaalsContact OD1-N 3.16Å; D1649-S1651 PolarHBondContact OD1-OG 3.18Å; D1649-S1651 PolarHBondContact OD2-OG 3.16Å; D1649-Q1652 PolarHBondContact O-N 2.81Å; D1649-Q1652 PolarHBondContact OD2-NE2 3.03Å | ||
| 1650 | L | 87.2 | Confident | 88.6 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 22% | 0.22 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -65.7 | -14.5 | -178.9 | -59.9 | 177.8 | 0 | 0 | 0 | 113.4 | P1645 F1648 Q1652 L1653 Y1665 | P1645-L1650 HydrophobicContact CB-CD1 3.93Å; F1648-L1650 HydrophobicContact CB-CD2 4.18Å; F1648-L1650 PolarHBondContact O-N 3.39Å; F1648-L1650 VanDerWaalsContact O-N 3.1Å; L1650-Q1652 PolarHBondContact O-N 2.92Å; L1650-L1653 HydrophobicContact CD2-CD1 4.14Å; L1650-Y1665 PolarHBondContact O-OH 3.46Å |
| 1651 | S | 87.1 | Confident | 88.8 | Confident | 103 Ų | 103 | 40.5 Ų | 40.5 | 72% | 0.72 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -71 | -21.1 | 175.9 | 74.4 | 0 | 0 | 0 | 0 | 112.7 | D1649 | D1649-S1651 VanDerWaalsContact CG-OG 3.31Å; D1649-S1651 PolarHBondContact O-N 3.35Å; D1649-S1651 WeakPolarHBondContact OD1-CB 3.38Å; D1649-S1651 PolarHBondContact OD1-N 3.49Å; D1649-S1651 VanDerWaalsContact OD1-N 3.16Å; D1649-S1651 PolarHBondContact OD1-OG 3.18Å; D1649-S1651 PolarHBondContact OD2-OG 3.16Å |
| 1652 | Q | 86.5 | Confident | 89 | Confident | 104 Ų | 104 | 42.1 Ų | 42.1 | 49% | 0.486 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -115.5 | 18 | -180 | -66.6 | -177.8 | 53.5 | 0 | 0 | 112.3 | P1256 D1649 L1650 Y1654 | P1256-Q1652 HydrophobicContact CG-CB 3.74Å; D1649-Q1652 PolarHBondContact O-N 2.81Å; D1649-Q1652 PolarHBondContact OD2-NE2 3.03Å; L1650-Q1652 PolarHBondContact O-N 2.92Å; Q1652-Y1654 PolarHBondContact O-N 2.91Å |
| 1653 | L | 90.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | trans | -64.4 | 127.4 | 175 | -178.9 | 150.7 | 0 | 0 | 0 | 109.8 | V1255 M1638 M1641 L1650 Y1665 | V1255-L1653 HydrophobicContact CG1-CB 4.2Å; V1255-L1653 HydrophobicContact CG2-CB 4.25Å; V1255-L1653 HydrophobicContact CG2-CD1 3.72Å; V1255-L1653 HydrophobicContact CG2-CG 3.76Å; M1638-L1653 HydrophobicContact CE-CD2 3.41Å; M1638-L1653 VanDerWaalsContact CE-CD2 3.41Å; M1638-L1653 HydrophobicContact CG-CD2 4.36Å; M1641-L1653 HydrophobicContact CB-CD1 3.98Å; M1641-L1653 HydrophobicContact CG-CD1 4.36Å; L1650-L1653 HydrophobicContact CD2-CD1 4.14Å; L1653-Y1665 HydrophobicContact CD2-CE2 4.01Å | ||
| 1654 | Y | 90.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 40.1 Ų | 40.1 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 142 | -178.1 | 176.3 | -105.3 | 0 | 0 | 0 | 110.5 | M1253 E1254 Q1652 M1661 A1673 R1676 E1677 | M1253-Y1654 CarbonylContact C-O 3.56Å; M1253-Y1654 VanDerWaalsContact CA-O 3.28Å; M1253-Y1654 WeakPolarHBondContact CA-O 3.49Å; E1254-Y1654 HydrophobicContact CB-CD1 4.43Å; E1254-Y1654 HydrophobicContact CG-CD1 4.42Å; E1254-Y1654 PolarHBondContact N-O 3.4Å; E1254-Y1654 PolarHBondContact O-N 3.42Å; Q1652-Y1654 PolarHBondContact O-N 2.91Å; Y1654-M1661 HydrophobicContact CD2-CE 4.13Å; Y1654-A1673 HydrophobicContact CE2-CB 4.27Å; Y1654-R1676 HydrophobicContact CE2-CG 4.28Å; Y1654-E1677 VanDerWaalsContact OH-CD 3.26Å; Y1654-E1677 VanDerWaalsContact OH-CG 3.3Å; Y1654-E1677 WeakPolarHBondContact OH-CG 3.09Å; Y1654-E1677 PolarHBondContact OH-OE1 3.3Å |
| 1655 | T | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 145.8 | 168.1 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | C1252 M1638 N1657 M1661 | C1252-T1655 WeakPolarHBondContact O-CA 3.44Å; C1252-T1655 PolarHBondContact O-OG1 3.2Å; M1638-T1655 HydrophobicContact SD-CG2 4.46Å; T1655-N1657 PolarHBondContact O-N 3.32Å; T1655-N1657 PolarHBondContact OG1-N 3.3Å; T1655-M1661 HydrophobicContact CG2-CE 4.2Å; T1655-M1661 HydrophobicContact CG2-CG 3.5Å; T1655-M1661 VanDerWaalsContact CG2-CG 3.5Å; T1655-M1661 HydrophobicContact CG2-SD 3.54Å; T1655-M1661 VanDerWaalsContact CG2-SD 3.54Å |
| 1656 | N | 89.5 | Confident | 89.3 | Confident | 16 Ų | 16 | 41 Ų | 41 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -81.8 | -1 | 176.8 | 70.9 | -14.8 | 0 | 0 | 0 | 112.9 | R1236 I1248 T1250 C1252 E1677 | R1236-N1656 PolarHBondContact NH2-O 3.32Å; I1248-N1656 WeakPolarHBondContact CD1-OD1 3.37Å; T1250-N1656 PolarHBondContact O-ND2 3.44Å; C1252-N1656 PolarHBondContact N-OD1 3.41Å; C1252-N1656 PolarHBondContact O-N 2.89Å; C1252-N1656 VanDerWaalsContact O-N 3.14Å; C1252-N1656 PolarHBondContact O-OD1 3.2Å; C1252-N1656 VanDerWaalsContact O-OD1 3.12Å; N1656-E1677 WeakPolarHBondContact CB-OE1 3.45Å |
| 1657 | N | 90 | Very high | 89.6 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | trans | -92.9 | 104.6 | 172.3 | -168.3 | -29.1 | 0 | 0 | 0 | 111.1 | S1246 I1248 I1636 T1655 T1659 V1660 M1661 | S1246-N1657 PolarHBondContact O-ND2 3.32Å; I1248-N1657 HydrophobicContact CD1-CB 3.77Å; I1248-N1657 HydrophobicContact CG1-CB 4.42Å; I1636-N1657 HydrophobicContact CD1-CB 3.58Å; I1636-N1657 WeakPolarHBondContact CD1-ND2 3.31Å; T1655-N1657 PolarHBondContact O-N 3.32Å; T1655-N1657 PolarHBondContact OG1-N 3.3Å; N1657-T1659 PolarHBondContact O-N 3.03Å; N1657-T1659 PolarHBondContact OD1-N 3.07Å; N1657-T1659 VanDerWaalsContact OD1-N 3.09Å; N1657-T1659 PolarHBondContact OD1-OG1 3Å; N1657-V1660 HydrophobicContact CB-CB 4.18Å; N1657-V1660 HydrophobicContact CB-CG2 4.12Å; N1657-V1660 PolarHBondContact O-N 3.22Å; N1657-V1660 PolarHBondContact OD1-N 2.91Å; N1657-M1661 PolarHBondContact O-N 2.82Å; N1657-M1661 VanDerWaalsContact O-N 3.1Å | ||
| 1658 | I | 91.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.4 | -36.5 | -176.6 | -59.7 | 157.3 | 0 | 0 | 0 | 111.6 | I1240 V1660 M1661 N1662 A1670 L1674 Y1707 | I1240-I1658 HydrophobicContact CG1-CD1 4.45Å; I1240-I1658 HydrophobicContact CG2-CD1 3.82Å; I1658-V1660 VanDerWaalsContact C-N 3.34Å; I1658-V1660 PolarHBondContact O-N 2.88Å; I1658-M1661 WeakPolarHBondContact O-CB 3.32Å; I1658-M1661 PolarHBondContact O-N 3.4Å; I1658-N1662 PolarHBondContact O-N 3.24Å; I1658-A1670 HydrophobicContact CG2-CB 3.94Å; I1658-L1674 HydrophobicContact CD1-CB 4.14Å; I1658-L1674 HydrophobicContact CD1-CD1 3.66Å; I1658-L1674 HydrophobicContact CD1-CG 4.49Å; I1658-L1674 HydrophobicContact CG1-CB 4.47Å; I1658-Y1707 HydrophobicContact CB-CD1 4.4Å; I1658-Y1707 HydrophobicContact CB-CE1 4.3Å; I1658-Y1707 HydrophobicContact CD1-CE2 4.4Å; I1658-Y1707 HydrophobicContact CG2-CD1 4.01Å; I1658-Y1707 HydrophobicContact CG2-CD2 4.09Å; I1658-Y1707 HydrophobicContact CG2-CE1 4.27Å; I1658-Y1707 HydrophobicContact CG2-CE2 4.38Å; I1658-Y1707 HydrophobicContact CG2-CG 3.87Å |
| 1659 | T | 89.5 | Confident | 90 | Very high | 28 Ų | 28 | 45 Ų | 45 | 17% | 0.172 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 179.4 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | N1657 N1662 E1663 Y1707 | N1657-T1659 PolarHBondContact O-N 3.03Å; N1657-T1659 PolarHBondContact OD1-N 3.07Å; N1657-T1659 VanDerWaalsContact OD1-N 3.09Å; N1657-T1659 PolarHBondContact OD1-OG1 3Å; T1659-N1662 WeakPolarHBondContact O-CB 3.33Å; T1659-N1662 PolarHBondContact O-N 3.33Å; T1659-E1663 WeakPolarHBondContact O-CG 3.3Å; T1659-E1663 PolarHBondContact O-N 3.04Å; T1659-Y1707 HydrophobicContact CG2-CD1 3.94Å; T1659-Y1707 HydrophobicContact CG2-CE1 4.27Å |
| 1660 | V | 89.1 | Confident | 90.1 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.9 | -36.1 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | I1636 M1638 N1657 I1658 E1663 T1664 | I1636-V1660 HydrophobicContact CD1-CG2 4.43Å; I1636-V1660 HydrophobicContact CG2-CG1 3.96Å; I1636-V1660 HydrophobicContact CG2-CG2 4.27Å; M1638-V1660 HydrophobicContact SD-CG1 3.56Å; M1638-V1660 VanDerWaalsContact SD-CG1 3.56Å; N1657-V1660 HydrophobicContact CB-CB 4.18Å; N1657-V1660 HydrophobicContact CB-CG2 4.12Å; N1657-V1660 PolarHBondContact O-N 3.22Å; N1657-V1660 PolarHBondContact OD1-N 2.91Å; I1658-V1660 VanDerWaalsContact C-N 3.34Å; I1658-V1660 PolarHBondContact O-N 2.88Å; V1660-E1663 PolarHBondContact O-N 2.81Å; V1660-T1664 WeakPolarHBondContact O-CB 3.4Å; V1660-T1664 PolarHBondContact O-N 2.83Å; V1660-T1664 PolarHBondContact O-OG1 2.95Å |
| 1661 | M | 90.7 | Very high | 90.4 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.054 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 170.9 | -77.8 | -61.2 | -133.9 | 0 | 0 | 111.7 | Y1654 T1655 N1657 I1658 T1664 Y1665 G1666 A1670 A1673 | Y1654-M1661 HydrophobicContact CD2-CE 4.13Å; T1655-M1661 HydrophobicContact CG2-CE 4.2Å; T1655-M1661 HydrophobicContact CG2-CG 3.5Å; T1655-M1661 VanDerWaalsContact CG2-CG 3.5Å; T1655-M1661 HydrophobicContact CG2-SD 3.54Å; T1655-M1661 VanDerWaalsContact CG2-SD 3.54Å; N1657-M1661 PolarHBondContact O-N 2.82Å; N1657-M1661 VanDerWaalsContact O-N 3.1Å; I1658-M1661 WeakPolarHBondContact O-CB 3.32Å; I1658-M1661 PolarHBondContact O-N 3.4Å; M1661-T1664 PolarHBondContact O-N 3.28Å; M1661-Y1665 PolarHBondContact O-N 3.01Å; M1661-Y1665 HydrophobicContact SD-CD2 3.68Å; M1661-Y1665 HydrophobicContact SD-CE2 4.16Å; M1661-G1666 PolarHBondContact O-N 2.87Å; M1661-A1670 HydrophobicContact CB-CB 4.25Å; M1661-A1673 HydrophobicContact CE-CB 4.24Å; M1661-A1673 HydrophobicContact CG-CB 4.1Å |
| 1662 | N | 90.4 | Very high | 90.7 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -45.7 | 178.5 | -172.8 | 34.5 | 0 | 0 | 0 | 111.6 | I1658 T1659 T1664 G1666 I1667 A1670 | I1658-N1662 PolarHBondContact O-N 3.24Å; T1659-N1662 WeakPolarHBondContact O-CB 3.33Å; T1659-N1662 PolarHBondContact O-N 3.33Å; N1662-T1664 VanDerWaalsContact C-N 3.31Å; N1662-T1664 PolarHBondContact O-N 3.03Å; N1662-G1666 VanDerWaalsContact O-CA 3.26Å; N1662-G1666 WeakPolarHBondContact O-CA 3.5Å; N1662-G1666 PolarHBondContact O-N 2.96Å; N1662-G1666 VanDerWaalsContact O-N 3.17Å; N1662-I1667 VanDerWaalsContact OD1-CA 3.28Å; N1662-I1667 WeakPolarHBondContact OD1-CA 3.38Å; N1662-I1667 WeakPolarHBondContact OD1-CD1 3.43Å; N1662-I1667 PolarHBondContact OD1-N 3.33Å; N1662-A1670 HydrophobicContact CB-CB 3.81Å |
| 1663 | E | 88.9 | Confident | 91 | Very high | 131 Ų | 131 | 36.9 Ų | 36.9 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.4 | -31.2 | 179.3 | -70.3 | 179.8 | 171 | 0 | 0 | 112.7 | K1484 T1659 V1660 | K1484-E1663 IonicContact NZ-OE1 3.58Å; K1484-E1663 PolarHBondContact NZ-OE1 3.45Å; T1659-E1663 WeakPolarHBondContact O-CG 3.3Å; T1659-E1663 PolarHBondContact O-N 3.04Å; V1660-E1663 PolarHBondContact O-N 2.81Å |
| 1664 | T | 88 | Confident | 91.1 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -99.2 | -47.7 | -172.9 | -48.2 | 0 | 0 | 0 | 0 | 114.3 | M1638 M1642 V1660 M1661 N1662 | M1638-T1664 HydrophobicContact CE-CG2 3.68Å; M1638-T1664 HydrophobicContact SD-CG2 4.16Å; M1642-T1664 HydrophobicContact CE-CG2 3.88Å; V1660-T1664 WeakPolarHBondContact O-CB 3.4Å; V1660-T1664 PolarHBondContact O-N 2.83Å; V1660-T1664 PolarHBondContact O-OG1 2.95Å; M1661-T1664 PolarHBondContact O-N 3.28Å; N1662-T1664 VanDerWaalsContact C-N 3.31Å; N1662-T1664 PolarHBondContact O-N 3.03Å |
| 1665 | Y | 89.4 | Confident | 91.2 | Very high | 101 Ų | 101 | 37.5 Ų | 37.5 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -108.8 | -9.3 | -175.6 | -71 | -72.4 | 0 | 0 | 0 | 113.4 | M1638 L1650 L1653 M1661 A1669 | M1638-Y1665 HydrophobicContact CE-CD2 3.8Å; M1638-Y1665 HydrophobicContact CE-CE2 3.18Å; L1650-Y1665 PolarHBondContact O-OH 3.46Å; L1653-Y1665 HydrophobicContact CD2-CE2 4.01Å; M1661-Y1665 PolarHBondContact O-N 3.01Å; M1661-Y1665 HydrophobicContact SD-CD2 3.68Å; M1661-Y1665 HydrophobicContact SD-CE2 4.16Å; Y1665-A1669 VanDerWaalsContact CB-CB 3.46Å; Y1665-A1669 HydrophobicContact CG-CB 4.46Å |
| 1666 | G | 91.8 | Very high | 91.3 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | trans | 94.3 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1661 N1662 E1668 A1669 A1670 | M1661-G1666 PolarHBondContact O-N 2.87Å; N1662-G1666 VanDerWaalsContact O-CA 3.26Å; N1662-G1666 WeakPolarHBondContact O-CA 3.5Å; N1662-G1666 PolarHBondContact O-N 2.96Å; N1662-G1666 VanDerWaalsContact O-N 3.17Å; G1666-E1668 PolarHBondContact O-N 3.47Å; G1666-A1669 PolarHBondContact O-N 3.42Å; G1666-A1670 PolarHBondContact O-N 3.03Å | ||
| 1667 | I | 93.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.8 | -34.8 | -167.3 | -166.5 | 64.1 | 0 | 0 | 0 | 114 | N1662 A1669 A1670 R1671 T1702 | N1662-I1667 VanDerWaalsContact OD1-CA 3.28Å; N1662-I1667 WeakPolarHBondContact OD1-CA 3.38Å; N1662-I1667 WeakPolarHBondContact OD1-CD1 3.43Å; N1662-I1667 PolarHBondContact OD1-N 3.33Å; I1667-A1669 VanDerWaalsContact C-N 3.34Å; I1667-A1669 PolarHBondContact O-N 3.2Å; I1667-A1670 HydrophobicContact CD1-CB 4.48Å; I1667-A1670 WeakPolarHBondContact O-CB 3.44Å; I1667-A1670 PolarHBondContact O-N 2.84Å; I1667-R1671 WeakPolarHBondContact O-CB 3.44Å; I1667-R1671 PolarHBondContact O-N 3.34Å; I1667-T1702 HydrophobicContact CD1-CG2 3.63Å; I1667-T1702 HydrophobicContact CG1-CG2 4.02Å |
| 1668 | E | 93.6 | Very high | 91.4 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.2 | -35.2 | 177.7 | -74.7 | -59.5 | 146.6 | 0 | 0 | 112.4 | G1666 A1670 R1671 A1672 | G1666-E1668 PolarHBondContact O-N 3.47Å; E1668-A1670 VanDerWaalsContact C-N 3.35Å; E1668-R1671 WeakPolarHBondContact O-CB 3.43Å; E1668-R1671 PolarHBondContact O-N 3.25Å; E1668-R1671 WeakPolarHBondContact OE2-CD 3.5Å; E1668-R1671 IonicContact OE2-NE 3.64Å; E1668-R1671 PolarHBondContact OE2-NE 3.04Å; E1668-A1672 PolarHBondContact O-N 3.07Å |
| 1669 | A | 92.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y1665 G1666 I1667 A1672 A1673 | Y1665-A1669 VanDerWaalsContact CB-CB 3.46Å; Y1665-A1669 HydrophobicContact CG-CB 4.46Å; G1666-A1669 PolarHBondContact O-N 3.42Å; I1667-A1669 VanDerWaalsContact C-N 3.34Å; I1667-A1669 PolarHBondContact O-N 3.2Å; A1669-A1672 PolarHBondContact O-N 3.21Å; A1669-A1673 VanDerWaalsContact O-CB 3.32Å; A1669-A1673 WeakPolarHBondContact O-CB 3.38Å; A1669-A1673 PolarHBondContact O-N 3.45Å |
| 1670 | A | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1658 M1661 N1662 G1666 I1667 E1668 A1673 L1674 | I1658-A1670 HydrophobicContact CG2-CB 3.94Å; M1661-A1670 HydrophobicContact CB-CB 4.25Å; N1662-A1670 HydrophobicContact CB-CB 3.81Å; G1666-A1670 PolarHBondContact O-N 3.03Å; I1667-A1670 HydrophobicContact CD1-CB 4.48Å; I1667-A1670 WeakPolarHBondContact O-CB 3.44Å; I1667-A1670 PolarHBondContact O-N 2.84Å; E1668-A1670 VanDerWaalsContact C-N 3.35Å; A1670-A1673 PolarHBondContact O-N 2.95Å; A1670-L1674 VanDerWaalsContact O-CB 3.28Å; A1670-L1674 WeakPolarHBondContact O-CB 3.35Å; A1670-L1674 PolarHBondContact O-N 2.95Å |
| 1671 | R | 94.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 47 Ų | 47 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 174.4 | -171.8 | -165.9 | 96.7 | 73.5 | 0.1 | 111.8 | I1667 E1668 L1674 Q1675 S1695 D1699 T1702 | I1667-R1671 WeakPolarHBondContact O-CB 3.44Å; I1667-R1671 PolarHBondContact O-N 3.34Å; E1668-R1671 WeakPolarHBondContact O-CB 3.43Å; E1668-R1671 PolarHBondContact O-N 3.25Å; E1668-R1671 WeakPolarHBondContact OE2-CD 3.5Å; E1668-R1671 IonicContact OE2-NE 3.64Å; E1668-R1671 PolarHBondContact OE2-NE 3.04Å; R1671-L1674 WeakPolarHBondContact O-CB 3.3Å; R1671-L1674 PolarHBondContact O-N 3.25Å; R1671-Q1675 PolarHBondContact O-N 2.94Å; R1671-S1695 PolarHBondContact NH1-OG 3.09Å; R1671-D1699 WeakPolarHBondContact CD-OD1 3.3Å; R1671-D1699 IonicContact CZ-OD1 3.02Å; R1671-D1699 IonicContact NE-OD1 3.29Å; R1671-D1699 IonicContact NH1-OD1 3.74Å; R1671-D1699 PolarHBondContact NH1-OD1 3.16Å; R1671-D1699 IonicContact NH1-OD2 3.59Å; R1671-T1702 HydrophobicContact CB-CG2 4.19Å |
| 1672 | A | 92.8 | Very high | 90.9 | Very high | 51 Ų | 51 | 46.6 Ų | 46.6 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1668 A1669 Q1675 R1676 | E1668-A1672 PolarHBondContact O-N 3.07Å; A1669-A1672 PolarHBondContact O-N 3.21Å; A1672-Q1675 PolarHBondContact O-N 3.03Å; A1672-R1676 WeakPolarHBondContact O-CB 3.28Å; A1672-R1676 PolarHBondContact O-N 2.9Å |
| 1673 | A | 92.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1654 M1661 A1669 A1670 R1676 E1677 | Y1654-A1673 HydrophobicContact CE2-CB 4.27Å; M1661-A1673 HydrophobicContact CE-CB 4.24Å; M1661-A1673 HydrophobicContact CG-CB 4.1Å; A1669-A1673 VanDerWaalsContact O-CB 3.32Å; A1669-A1673 WeakPolarHBondContact O-CB 3.38Å; A1669-A1673 PolarHBondContact O-N 3.45Å; A1670-A1673 PolarHBondContact O-N 2.95Å; A1673-R1676 PolarHBondContact O-N 3.21Å; A1673-E1677 WeakPolarHBondContact O-CB 3.31Å; A1673-E1677 WeakPolarHBondContact O-CG 3.44Å; A1673-E1677 PolarHBondContact O-N 3.41Å |
| 1674 | L | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 175.6 | 173.3 | 64.1 | 0 | 0 | 0 | 111.7 | I1240 I1658 A1670 R1671 R1676 E1677 V1678 L1701 Y1707 | I1240-L1674 HydrophobicContact CG2-CD1 3.27Å; I1658-L1674 HydrophobicContact CD1-CB 4.14Å; I1658-L1674 HydrophobicContact CD1-CD1 3.66Å; I1658-L1674 HydrophobicContact CD1-CG 4.49Å; I1658-L1674 HydrophobicContact CG1-CB 4.47Å; A1670-L1674 VanDerWaalsContact O-CB 3.28Å; A1670-L1674 WeakPolarHBondContact O-CB 3.35Å; A1670-L1674 PolarHBondContact O-N 2.95Å; R1671-L1674 WeakPolarHBondContact O-CB 3.3Å; R1671-L1674 PolarHBondContact O-N 3.25Å; L1674-R1676 VanDerWaalsContact C-N 3.31Å; L1674-R1676 PolarHBondContact O-N 2.72Å; L1674-E1677 PolarHBondContact O-N 2.7Å; L1674-V1678 HydrophobicContact CD1-CG2 4.1Å; L1674-V1678 WeakPolarHBondContact O-CG2 3.4Å; L1674-V1678 PolarHBondContact O-N 3.4Å; L1674-L1701 HydrophobicContact CD1-CD1 4.42Å; L1674-L1701 HydrophobicContact CD2-CB 4.05Å; L1674-L1701 HydrophobicContact CD2-CD1 3.76Å; L1674-Y1707 HydrophobicContact CD1-CE2 4.32Å; L1674-Y1707 HydrophobicContact CD2-CD2 4.49Å; L1674-Y1707 HydrophobicContact CD2-CE2 4.38Å |
| 1675 | Q | 92.4 | Very high | 89.2 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.3 | -174.3 | -178.3 | 2.5 | 0 | 0 | 112 | R1671 A1672 S1679 L1694 | R1671-Q1675 PolarHBondContact O-N 2.94Å; A1672-Q1675 PolarHBondContact O-N 3.03Å; Q1675-S1679 WeakPolarHBondContact O-CB 3.45Å; Q1675-S1679 PolarHBondContact O-N 2.87Å; Q1675-L1694 HydrophobicContact CG-CB 3.98Å |
| 1676 | R | 91.6 | Very high | 88.6 | Confident | 142 Ų | 142 | 43.4 Ų | 43.4 | 54% | 0.536 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 178.3 | 179.8 | 171.6 | 171.4 | 159.2 | -5.6 | 112.3 | E1254 Y1654 A1672 A1673 L1674 G1680 | E1254-R1676 IonicContact OE2-NH2 3.83Å; Y1654-R1676 HydrophobicContact CE2-CG 4.28Å; A1672-R1676 WeakPolarHBondContact O-CB 3.28Å; A1672-R1676 PolarHBondContact O-N 2.9Å; A1673-R1676 PolarHBondContact O-N 3.21Å; L1674-R1676 VanDerWaalsContact C-N 3.31Å; L1674-R1676 PolarHBondContact O-N 2.72Å; R1676-G1680 PolarHBondContact O-N 3.29Å |
| 1677 | E | 90.6 | Very high | 88.2 | Confident | 29 Ų | 29 | 42.8 Ų | 42.8 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 177.7 | -77.9 | -67.6 | 126.1 | 0 | 0 | 111.4 | R1236 I1240 Y1654 N1656 A1673 L1674 S1679 G1680 V1681 | R1236-E1677 IonicContact CZ-OE2 3.31Å; R1236-E1677 IonicContact NE-OE2 2.8Å; R1236-E1677 PolarHBondContact NE-OE2 2.87Å; R1236-E1677 IonicContact NH2-OE2 3.07Å; R1236-E1677 PolarHBondContact NH2-OE2 2.95Å; I1240-E1677 HydrophobicContact CD1-CB 3.89Å; Y1654-E1677 VanDerWaalsContact OH-CD 3.26Å; Y1654-E1677 VanDerWaalsContact OH-CG 3.3Å; Y1654-E1677 WeakPolarHBondContact OH-CG 3.09Å; Y1654-E1677 PolarHBondContact OH-OE1 3.3Å; N1656-E1677 WeakPolarHBondContact CB-OE1 3.45Å; A1673-E1677 WeakPolarHBondContact O-CB 3.31Å; A1673-E1677 WeakPolarHBondContact O-CG 3.44Å; A1673-E1677 PolarHBondContact O-N 3.41Å; L1674-E1677 PolarHBondContact O-N 2.7Å; E1677-S1679 PolarHBondContact O-N 2.71Å; E1677-G1680 PolarHBondContact O-N 2.89Å; E1677-G1680 VanDerWaalsContact O-N 3.16Å; E1677-V1681 WeakPolarHBondContact O-CG2 3.4Å; E1677-V1681 PolarHBondContact O-N 2.93Å |
| 1678 | V | 91.3 | Very high | 88 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | -179.3 | 177.8 | 0 | 0 | 0 | 0 | 111 | L1237 I1240 L1241 L1674 G1680 V1681 F1682 L1694 | L1237-V1678 HydrophobicContact CD2-CG1 4.15Å; I1240-V1678 HydrophobicContact CG2-CG2 4.07Å; L1241-V1678 HydrophobicContact CD2-CG2 4.2Å; L1674-V1678 HydrophobicContact CD1-CG2 4.1Å; L1674-V1678 WeakPolarHBondContact O-CG2 3.4Å; L1674-V1678 PolarHBondContact O-N 3.4Å; V1678-G1680 VanDerWaalsContact C-N 3.32Å; V1678-G1680 PolarHBondContact O-N 3.14Å; V1678-V1681 PolarHBondContact O-N 3.43Å; V1678-F1682 HydrophobicContact CG1-CD2 4.09Å; V1678-F1682 HydrophobicContact CG1-CE2 3.74Å; V1678-F1682 VanDerWaalsContact O-CD2 3.26Å; V1678-F1682 WeakPolarHBondContact O-CD2 3.44Å; V1678-F1682 PolarHBondContact O-N 3.41Å; V1678-L1694 HydrophobicContact CB-CD2 4.43Å; V1678-L1694 HydrophobicContact CG1-CD2 3.62Å |
| 1679 | S | 91.3 | Very high | 87.8 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -40 | 174.1 | -175 | 0 | 0 | 0 | 0 | 112.1 | Q1675 E1677 V1681 F1682 G1683 | Q1675-S1679 WeakPolarHBondContact O-CB 3.45Å; Q1675-S1679 PolarHBondContact O-N 2.87Å; E1677-S1679 PolarHBondContact O-N 2.71Å; S1679-V1681 VanDerWaalsContact C-N 3.34Å; S1679-V1681 PolarHBondContact O-N 3.1Å; S1679-F1682 PolarHBondContact O-N 2.81Å; S1679-G1683 PolarHBondContact O-N 3.47Å |
| 1680 | G | 87.5 | Confident | 87.7 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1676 E1677 V1678 G1683 H1684 | R1676-G1680 PolarHBondContact O-N 3.29Å; E1677-G1680 PolarHBondContact O-N 2.89Å; E1677-G1680 VanDerWaalsContact O-N 3.16Å; V1678-G1680 VanDerWaalsContact C-N 3.32Å; V1678-G1680 PolarHBondContact O-N 3.14Å; G1680-G1683 PolarHBondContact O-N 2.99Å; G1680-H1684 PolarHBondContact O-N 3.06Å; G1680-H1684 PolarHBondContact O-ND1 3.44Å |
| 1681 | V | 85.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | M1215 R1236 L1237 E1677 V1678 S1679 G1683 H1684 Y1685 | M1215-V1681 HydrophobicContact CE-CG1 3.86Å; R1236-V1681 HydrophobicContact CB-CG2 4.36Å; R1236-V1681 HydrophobicContact CG-CG2 3.86Å; L1237-V1681 HydrophobicContact CD1-CG1 3.93Å; L1237-V1681 HydrophobicContact CD2-CB 4.19Å; L1237-V1681 HydrophobicContact CD2-CG1 4.2Å; L1237-V1681 HydrophobicContact CD2-CG2 4.49Å; L1237-V1681 HydrophobicContact CG-CB 4.26Å; L1237-V1681 HydrophobicContact CG-CG1 3.73Å; E1677-V1681 WeakPolarHBondContact O-CG2 3.4Å; E1677-V1681 PolarHBondContact O-N 2.93Å; V1678-V1681 PolarHBondContact O-N 3.43Å; S1679-V1681 VanDerWaalsContact C-N 3.34Å; S1679-V1681 PolarHBondContact O-N 3.1Å; V1681-G1683 PolarHBondContact O-N 2.9Å; V1681-H1684 PolarHBondContact O-N 2.92Å; V1681-Y1685 VanDerWaalsContact O-CD2 3.31Å; V1681-Y1685 WeakPolarHBondContact O-CD2 3.17Å |
| 1682 | F | 86.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 177.9 | -70.1 | -60.5 | 0 | 0 | 0 | 112.9 | V1208 P1211 M1215 L1237 V1678 S1679 H1684 Y1685 I1687 V1689 | V1208-F1682 HydrophobicContact CB-CZ 4.37Å; V1208-F1682 HydrophobicContact CG1-CE2 4.2Å; V1208-F1682 HydrophobicContact CG1-CZ 3.87Å; V1208-F1682 HydrophobicContact CG2-CE2 4.35Å; P1211-F1682 HydrophobicContact CB-CD1 4.27Å; P1211-F1682 HydrophobicContact CB-CE1 3.96Å; M1215-F1682 HydrophobicContact SD-CD1 3.79Å; M1215-F1682 HydrophobicContact SD-CE1 3.75Å; L1237-F1682 HydrophobicContact CD1-CE1 4.08Å; L1237-F1682 HydrophobicContact CD1-CZ 4.01Å; L1237-F1682 HydrophobicContact CD2-CE2 4.36Å; L1237-F1682 HydrophobicContact CD2-CZ 4.4Å; V1678-F1682 HydrophobicContact CG1-CD2 4.09Å; V1678-F1682 HydrophobicContact CG1-CE2 3.74Å; V1678-F1682 VanDerWaalsContact O-CD2 3.26Å; V1678-F1682 WeakPolarHBondContact O-CD2 3.44Å; V1678-F1682 PolarHBondContact O-N 3.41Å; S1679-F1682 PolarHBondContact O-N 2.81Å; F1682-H1684 VanDerWaalsContact C-N 3.26Å; F1682-H1684 PolarHBondContact O-N 3.26Å; F1682-Y1685 PolarHBondContact O-N 2.95Å; F1682-I1687 CarbonylContact C-O 3.46Å; F1682-I1687 HydrophobicContact CB-CB 4.17Å; F1682-I1687 HydrophobicContact CB-CG2 4.17Å; F1682-I1687 WeakPolarHBondContact CB-O 3.39Å; F1682-I1687 HydrophobicContact CD1-CB 4.39Å; F1682-I1687 HydrophobicContact CD1-CG2 3.97Å; F1682-I1687 HydrophobicContact CG-CG2 4.33Å; F1682-I1687 PolarHBondContact O-N 2.98Å; F1682-I1687 VanDerWaalsContact O-N 3.14Å; F1682-V1689 HydrophobicContact CB-CG2 4.46Å; F1682-V1689 HydrophobicContact CD1-CG2 4.45Å; F1682-V1689 HydrophobicContact CD2-CG2 3.79Å; F1682-V1689 HydrophobicContact CE2-CG2 4.09Å; F1682-V1689 HydrophobicContact CG-CG2 3.99Å |
| 1683 | G | 83.3 | Confident | 87.6 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59 | -33.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1679 G1680 V1681 Y1685 G1686 | S1679-G1683 PolarHBondContact O-N 3.47Å; G1680-G1683 PolarHBondContact O-N 2.99Å; V1681-G1683 PolarHBondContact O-N 2.9Å; G1683-Y1685 PolarHBondContact O-N 2.89Å; G1683-G1686 PolarHBondContact O-N 3.16Å; G1683-G1686 VanDerWaalsContact O-N 3.13Å |
| 1684 | H | 73.8 | Confident | 87.6 | Confident | 149 Ų | 149 | 42.4 Ų | 42.4 | 69% | 0.69 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -24 | 175.4 | -80.6 | 80 | 0 | 0 | 0 | 113.3 | M1228 G1680 V1681 F1682 | M1228-H1684 WeakPolarHBondContact CE-O 3.32Å; G1680-H1684 PolarHBondContact O-N 3.06Å; G1680-H1684 PolarHBondContact O-ND1 3.44Å; V1681-H1684 PolarHBondContact O-N 2.92Å; F1682-H1684 VanDerWaalsContact C-N 3.26Å; F1682-H1684 PolarHBondContact O-N 3.26Å |
| 1685 | Y | 73 | Confident | 87.7 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 4.5 | 178.4 | -66.2 | -90.7 | 0 | 0 | 0 | 113 | M1215 V1230 G1233 V1681 F1682 G1683 I1687 | M1215-Y1685 HydrophobicContact CB-CD1 4.37Å; M1215-Y1685 HydrophobicContact CB-CE1 4.41Å; M1215-Y1685 HydrophobicContact CE-CD2 3.5Å; M1215-Y1685 HydrophobicContact CE-CE1 4.46Å; M1215-Y1685 HydrophobicContact CE-CE2 3.24Å; M1215-Y1685 HydrophobicContact CE-CG 4.26Å; M1215-Y1685 HydrophobicContact CG-CD1 4.06Å; M1215-Y1685 HydrophobicContact CG-CD2 4.03Å; M1215-Y1685 HydrophobicContact CG-CE1 4.44Å; M1215-Y1685 HydrophobicContact CG-CE2 4.46Å; M1215-Y1685 HydrophobicContact CG-CG 3.84Å; M1215-Y1685 HydrophobicContact SD-CD2 4.19Å; M1215-Y1685 HydrophobicContact SD-CE2 4.47Å; V1230-Y1685 WeakPolarHBondContact CA-OH 3.49Å; V1230-Y1685 HydrophobicContact CB-CE1 4.33Å; V1230-Y1685 HydrophobicContact CG1-CE1 3.93Å; V1230-Y1685 HydrophobicContact CG2-CE1 4.45Å; V1230-Y1685 PolarHBondContact O-OH 3.26Å; G1233-Y1685 PolarHBondContact N-OH 3.34Å; V1681-Y1685 VanDerWaalsContact O-CD2 3.31Å; V1681-Y1685 WeakPolarHBondContact O-CD2 3.17Å; F1682-Y1685 PolarHBondContact O-N 2.95Å; G1683-Y1685 PolarHBondContact O-N 2.89Å; Y1685-I1687 PolarHBondContact O-N 3.03Å |
| 1686 | G | 77.6 | Confident | 87.8 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 54% | 0.536 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 19.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1683 | G1683-G1686 PolarHBondContact O-N 3.16Å; G1683-G1686 VanDerWaalsContact O-N 3.13Å |
| 1687 | I | 84.5 | Confident | 87.9 | Confident | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.067 | 21% | 0.208 | C | C | . | . | trans | -92.5 | 124.7 | 177.6 | -64.5 | 174.5 | 0 | 0 | 0 | 107.7 | P1211 M1215 F1682 Y1685 V1689 | P1211-I1687 HydrophobicContact CB-CD1 4.05Å; P1211-I1687 HydrophobicContact CB-CG2 3.58Å; P1211-I1687 HydrophobicContact CG-CG2 4.21Å; M1215-I1687 HydrophobicContact CG-CD1 3.62Å; M1215-I1687 HydrophobicContact SD-CD1 4.46Å; F1682-I1687 CarbonylContact C-O 3.46Å; F1682-I1687 HydrophobicContact CB-CB 4.17Å; F1682-I1687 HydrophobicContact CB-CG2 4.17Å; F1682-I1687 WeakPolarHBondContact CB-O 3.39Å; F1682-I1687 HydrophobicContact CD1-CB 4.39Å; F1682-I1687 HydrophobicContact CD1-CG2 3.97Å; F1682-I1687 HydrophobicContact CG-CG2 4.33Å; F1682-I1687 PolarHBondContact O-N 2.98Å; F1682-I1687 VanDerWaalsContact O-N 3.14Å; Y1685-I1687 PolarHBondContact O-N 3.03Å; I1687-V1689 HydrophobicContact CG2-CG2 4.27Å | ||
| 1688 | H | 87.4 | Confident | 88.1 | Confident | 136 Ų | 136 | 32.5 Ų | 32.5 | 63% | 0.63 | 20% | 0.202 | S | C | * | . | trans | -103.7 | 124 | 174.3 | -61.5 | -59.9 | 0 | 0 | 0 | 109.6 | K647 | K647-H1688 WeakPolarHBondContact CE-O 3.25Š| ||
| 1689 | V | 89.8 | Confident | 88.2 | Confident | 19 Ų | 19 | 33.4 Ų | 33.4 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | trans | -111.9 | 134 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | P1211 F1682 I1687 S1691 H1693 L1694 | P1211-V1689 HydrophobicContact CG-CG2 4.45Å; F1682-V1689 HydrophobicContact CB-CG2 4.46Å; F1682-V1689 HydrophobicContact CD1-CG2 4.45Å; F1682-V1689 HydrophobicContact CD2-CG2 3.79Å; F1682-V1689 HydrophobicContact CE2-CG2 4.09Å; F1682-V1689 HydrophobicContact CG-CG2 3.99Å; I1687-V1689 HydrophobicContact CG2-CG2 4.27Å; V1689-S1691 PolarHBondContact O-N 3.07Å; V1689-H1693 HydrophobicContact CG1-CB 4.43Å; V1689-L1694 HydrophobicContact CG1-CD2 4.01Å; V1689-L1694 HydrophobicContact CG1-CG 4.09Å | ||
| 1690 | N | 91.6 | Very high | 88.3 | Confident | 30 Ų | 30 | 31.1 Ų | 31.1 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | trans | -61.8 | 139.2 | -179.6 | -166.5 | -75 | 0 | 0 | 0 | 111.2 | K647 V1062 R1692 H1693 | K647-N1690 WeakPolarHBondContact O-CB 3.39Å; K647-N1690 PolarHBondContact O-N 3.22Å; V1062-N1690 HydrophobicContact CG1-CB 3.71Å; V1062-N1690 HydrophobicContact CG2-CB 4.17Å; N1690-R1692 PolarHBondContact ND2-NH1 3.45Å; N1690-R1692 PolarHBondContact O-N 3.02Å; N1690-R1692 WeakPolarHBondContact OD1-CB 3.35Å; N1690-R1692 VanDerWaalsContact OD1-CG 3.3Å; N1690-R1692 WeakPolarHBondContact OD1-CG 3.41Å; N1690-R1692 PolarHBondContact OD1-N 2.87Å; N1690-R1692 PolarHBondContact OD1-NH1 3.44Å; N1690-H1693 PolarHBondContact O-N 3.15Å | ||
| 1691 | S | 90.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 47% | 0.469 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61 | -26.6 | -178.5 | 55 | 0 | 0 | 0 | 0 | 113.5 | V1689 H1693 L1694 S1695 | V1689-S1691 PolarHBondContact O-N 3.07Å; S1691-H1693 PolarHBondContact O-N 3.29Å; S1691-L1694 PolarHBondContact O-N 3.06Å; S1691-S1695 WeakPolarHBondContact O-CB 3.42Å; S1691-S1695 PolarHBondContact O-N 3.34Å |
| 1692 | R | 92.1 | Very high | 88.9 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 179.1 | -62.8 | -173.1 | -172.2 | 83.5 | -1 | 112.2 | Y1055 D1058 V1060 V1062 N1690 S1695 L1696 | Y1055-R1692 HydrophobicContact CE1-CB 4.31Å; Y1055-R1692 HydrophobicContact CE2-CB 4.48Å; D1058-R1692 IonicContact OD1-CZ 3.02Å; D1058-R1692 IonicContact OD1-NE 3.89Å; D1058-R1692 PolarHBondContact OD1-NE 3.2Å; D1058-R1692 IonicContact OD1-NH2 3.11Å; D1058-R1692 IonicContact OD2-CZ 3.39Å; D1058-R1692 IonicContact OD2-NE 3.41Å; D1058-R1692 PolarHBondContact OD2-NE 3.42Å; D1058-R1692 IonicContact OD2-NH2 3.7Å; D1058-R1692 PolarHBondContact OD2-NH2 2.91Å; V1060-R1692 WeakPolarHBondContact O-CD 3.25Å; V1060-R1692 PolarHBondContact O-NE 3.39Å; V1062-R1692 HydrophobicContact CG2-CB 4.22Å; N1690-R1692 PolarHBondContact ND2-NH1 3.45Å; N1690-R1692 PolarHBondContact O-N 3.02Å; N1690-R1692 WeakPolarHBondContact OD1-CB 3.35Å; N1690-R1692 VanDerWaalsContact OD1-CG 3.3Å; N1690-R1692 WeakPolarHBondContact OD1-CG 3.41Å; N1690-R1692 PolarHBondContact OD1-N 2.87Å; N1690-R1692 PolarHBondContact OD1-NH1 3.44Å; R1692-S1695 PolarHBondContact O-N 3.11Å; R1692-L1696 PolarHBondContact O-N 2.76Å; R1692-L1696 VanDerWaalsContact O-N 3.07Å |
| 1693 | H | 93.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.2 | -63.3 | -45.7 | 0 | 0 | 0 | 111.7 | P646 Y1055 A1204 S1207 V1689 N1690 S1691 S1695 L1696 I1697 | P646-H1693 PolarHBondContact O-NE2 3.04Å; Y1055-H1693 PolarHBondContact OH-CE1 3.41Å; Y1055-H1693 PolarHBondContact OH-ND1 3.34Å; Y1055-H1693 VanDerWaalsContact OH-ND1 3.14Å; A1204-H1693 HydrophobicContact CB-CB 3.92Å; S1207-H1693 PolarHBondContact OG-CD2 3.37Å; S1207-H1693 PolarHBondContact OG-NE2 3.29Å; V1689-H1693 HydrophobicContact CG1-CB 4.43Å; N1690-H1693 PolarHBondContact O-N 3.15Å; S1691-H1693 PolarHBondContact O-N 3.29Å; H1693-S1695 VanDerWaalsContact C-N 3.35Å; H1693-L1696 PolarHBondContact O-N 2.77Å; H1693-I1697 WeakPolarHBondContact O-CG1 3.47Å; H1693-I1697 PolarHBondContact O-N 2.78Å |
| 1694 | L | 93.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 179 | -60 | -177.8 | 0 | 0 | 0 | 112.2 | V1208 Q1675 V1678 V1689 S1691 S1698 | V1208-L1694 HydrophobicContact CG2-CD2 4.13Å; Q1675-L1694 HydrophobicContact CG-CB 3.98Å; V1678-L1694 HydrophobicContact CB-CD2 4.43Å; V1678-L1694 HydrophobicContact CG1-CD2 3.62Å; V1689-L1694 HydrophobicContact CG1-CD2 4.01Å; V1689-L1694 HydrophobicContact CG1-CG 4.09Å; S1691-L1694 PolarHBondContact O-N 3.06Å; L1694-S1698 WeakPolarHBondContact O-CB 3.48Å; L1694-S1698 PolarHBondContact O-N 3.26Å; L1694-S1698 PolarHBondContact O-OG 3.31Å |
| 1695 | S | 94.2 | Very high | 89.7 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 174.4 | -163.8 | 0 | 0 | 0 | 0 | 110.4 | R1671 S1691 R1692 H1693 I1697 S1698 D1699 | R1671-S1695 PolarHBondContact NH1-OG 3.09Å; S1691-S1695 WeakPolarHBondContact O-CB 3.42Å; S1691-S1695 PolarHBondContact O-N 3.34Å; R1692-S1695 PolarHBondContact O-N 3.11Å; H1693-S1695 VanDerWaalsContact C-N 3.35Å; S1695-I1697 VanDerWaalsContact C-N 3.35Å; S1695-I1697 PolarHBondContact O-N 3.07Å; S1695-S1698 PolarHBondContact O-N 3.35Å; S1695-S1698 VanDerWaalsContact O-N 3.1Å; S1695-D1699 PolarHBondContact O-N 3.44Å |
| 1696 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 178.3 | -179.7 | 63.1 | 0 | 0 | 0 | 112.7 | L1035 V1043 I1051 Q1052 Y1055 V1200 A1204 R1692 H1693 S1698 D1699 Y1700 | L1035-L1696 HydrophobicContact CD1-CD1 4.22Å; L1035-L1696 HydrophobicContact CD1-CG 4.44Å; V1043-L1696 HydrophobicContact CG1-CD1 3.96Å; I1051-L1696 HydrophobicContact CG2-CD1 4.13Å; Q1052-L1696 HydrophobicContact CG-CD1 3.98Å; Q1052-L1696 VanDerWaalsContact NE2-CA 3.26Å; Y1055-L1696 HydrophobicContact CE2-CD2 4.34Å; V1200-L1696 HydrophobicContact CB-CD2 4.12Å; V1200-L1696 HydrophobicContact CG2-CD2 3.89Å; A1204-L1696 HydrophobicContact CB-CD2 4.14Å; R1692-L1696 PolarHBondContact O-N 2.76Å; R1692-L1696 VanDerWaalsContact O-N 3.07Å; H1693-L1696 PolarHBondContact O-N 2.77Å; L1696-S1698 VanDerWaalsContact C-N 3.34Å; L1696-D1699 PolarHBondContact O-N 3.25Å; L1696-Y1700 WeakPolarHBondContact O-CB 3.36Å; L1696-Y1700 PolarHBondContact O-N 3Å |
| 1697 | I | 94.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 175 | -70.8 | 169.5 | 0 | 0 | 0 | 110.4 | L1032 A1204 V1208 L1241 H1693 S1695 D1699 Y1700 L1701 F1710 | L1032-I1697 HydrophobicContact CD1-CG1 3.9Å; A1204-I1697 HydrophobicContact CB-CD1 4.29Å; A1204-I1697 HydrophobicContact CB-CG1 4.22Å; V1208-I1697 HydrophobicContact CB-CD1 4.38Å; V1208-I1697 HydrophobicContact CG2-CD1 3.46Å; V1208-I1697 VanDerWaalsContact CG2-CD1 3.46Å; L1241-I1697 HydrophobicContact CD2-CG2 4.18Å; H1693-I1697 WeakPolarHBondContact O-CG1 3.47Å; H1693-I1697 PolarHBondContact O-N 2.78Å; S1695-I1697 VanDerWaalsContact C-N 3.35Å; S1695-I1697 PolarHBondContact O-N 3.07Å; I1697-D1699 PolarHBondContact O-N 3.45Å; I1697-Y1700 PolarHBondContact O-N 3.45Å; I1697-L1701 HydrophobicContact CG2-CD1 3.69Å; I1697-L1701 HydrophobicContact CG2-CG 4.34Å; I1697-L1701 WeakPolarHBondContact O-CG 3.47Å; I1697-L1701 PolarHBondContact O-N 3.2Å; I1697-F1710 HydrophobicContact CG2-CE2 4.09Å; I1697-F1710 HydrophobicContact CG2-CZ 3.98Å |
| 1698 | S | 93.8 | Very high | 91 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -44.7 | -179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L1694 S1695 L1696 Y1700 L1701 T1702 | L1694-S1698 WeakPolarHBondContact O-CB 3.48Å; L1694-S1698 PolarHBondContact O-N 3.26Å; L1694-S1698 PolarHBondContact O-OG 3.31Å; S1695-S1698 PolarHBondContact O-N 3.35Å; S1695-S1698 VanDerWaalsContact O-N 3.1Å; L1696-S1698 VanDerWaalsContact C-N 3.34Å; S1698-Y1700 PolarHBondContact O-N 3.05Å; S1698-L1701 PolarHBondContact O-N 3.3Å; S1698-T1702 WeakPolarHBondContact O-CG2 3.25Å; S1698-T1702 PolarHBondContact O-N 3.41Å; S1698-T1702 PolarHBondContact O-OG1 3.3Å |
| 1699 | D | 94.2 | Very high | 91.1 | Very high | 23 Ų | 23 | 26.9 Ų | 26.9 | 12% | 0.123 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 179.2 | -63.3 | -13.7 | 0 | 0 | 0 | 111.9 | I1051 Q1052 R1671 S1695 L1696 I1697 T1702 K1703 | I1051-D1699 HydrophobicContact CG2-CB 4.14Å; Q1052-D1699 HydrophobicContact CG-CB 4.25Å; Q1052-D1699 WeakPolarHBondContact CG-OD2 3.47Å; Q1052-D1699 PolarHBondContact NE2-OD2 2.79Å; R1671-D1699 WeakPolarHBondContact CD-OD1 3.3Å; R1671-D1699 IonicContact CZ-OD1 3.02Å; R1671-D1699 IonicContact NE-OD1 3.29Å; R1671-D1699 IonicContact NH1-OD1 3.74Å; R1671-D1699 PolarHBondContact NH1-OD1 3.16Å; R1671-D1699 IonicContact NH1-OD2 3.59Å; S1695-D1699 PolarHBondContact O-N 3.44Å; L1696-D1699 PolarHBondContact O-N 3.25Å; I1697-D1699 PolarHBondContact O-N 3.45Å; D1699-T1702 CarbonylContact O-C 3.44Å; D1699-T1702 PolarHBondContact O-N 3.33Å; D1699-T1702 PolarHBondContact O-OG1 3.1Å; D1699-K1703 WeakPolarHBondContact O-CA 3.46Å; D1699-K1703 PolarHBondContact O-N 3.34Å |
| 1700 | Y | 93.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 26.2 Ų | 26.2 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -44.3 | 175.7 | -175.9 | -86.9 | 0 | 0 | 0 | 111.9 | H1031 L1032 L1035 I1051 L1696 I1697 S1698 T1702 K1703 F1710 | H1031-Y1700 HydrophobicContact CB-CE1 3.87Å; H1031-Y1700 WeakPolarHBondContact O-CE2 3.45Å; H1031-Y1700 PolarHBondContact O-OH 2.94Å; L1032-Y1700 HydrophobicContact CD2-CD1 3.81Å; L1032-Y1700 HydrophobicContact CD2-CD2 3.7Å; L1032-Y1700 HydrophobicContact CD2-CE1 4.24Å; L1032-Y1700 HydrophobicContact CD2-CE2 4.09Å; L1032-Y1700 HydrophobicContact CD2-CG 3.51Å; L1035-Y1700 HydrophobicContact CD1-CD2 3.86Å; L1035-Y1700 HydrophobicContact CD1-CE2 4.42Å; L1035-Y1700 HydrophobicContact CD2-CD2 4.35Å; L1035-Y1700 HydrophobicContact CD2-CE2 4.43Å; I1051-Y1700 HydrophobicContact CD1-CD2 4.42Å; L1696-Y1700 WeakPolarHBondContact O-CB 3.36Å; L1696-Y1700 PolarHBondContact O-N 3Å; I1697-Y1700 PolarHBondContact O-N 3.45Å; S1698-Y1700 PolarHBondContact O-N 3.05Å; Y1700-T1702 PolarHBondContact O-N 2.98Å; Y1700-K1703 HydrophobicContact CD2-CD 4.31Å; Y1700-K1703 HydrophobicContact CE2-CD 4.45Å; Y1700-K1703 WeakPolarHBondContact O-CG 3.29Å; Y1700-K1703 PolarHBondContact O-N 2.74Å; Y1700-F1710 AromaticContact CD1-CE1 3.79Å; Y1700-F1710 HydrophobicContact CD1-CE1 3.79Å; Y1700-F1710 HydrophobicContact CE1-CD1 4.39Å; Y1700-F1710 AromaticContact CE1-CE1 3.96Å; Y1700-F1710 HydrophobicContact CE1-CE1 3.96Å |
| 1701 | L | 93 | Very high | 90.8 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -20.1 | 179.6 | -63.9 | 171.4 | 0 | 0 | 0 | 112.3 | L1241 L1674 I1697 S1698 Y1707 H1708 F1710 | L1241-L1701 HydrophobicContact CD2-CD1 3.83Å; L1674-L1701 HydrophobicContact CD1-CD1 4.42Å; L1674-L1701 HydrophobicContact CD2-CB 4.05Å; L1674-L1701 HydrophobicContact CD2-CD1 3.76Å; I1697-L1701 HydrophobicContact CG2-CD1 3.69Å; I1697-L1701 HydrophobicContact CG2-CG 4.34Å; I1697-L1701 WeakPolarHBondContact O-CG 3.47Å; I1697-L1701 PolarHBondContact O-N 3.2Å; S1698-L1701 PolarHBondContact O-N 3.3Å; L1701-Y1707 HydrophobicContact CB-CD2 4.44Å; L1701-Y1707 WeakPolarHBondContact O-CA 3.5Å; L1701-H1708 WeakPolarHBondContact CB-O 3.48Å; L1701-H1708 WeakPolarHBondContact CD2-O 3.34Å; L1701-H1708 PolarHBondContact O-N 3.34Å; L1701-F1710 HydrophobicContact CD1-CE2 4.3Å; L1701-F1710 HydrophobicContact CD1-CZ 4.36Å; L1701-F1710 HydrophobicContact CD2-CD1 3.8Å; L1701-F1710 HydrophobicContact CD2-CD2 4.18Å; L1701-F1710 HydrophobicContact CD2-CE1 3.64Å; L1701-F1710 HydrophobicContact CD2-CE2 4.02Å; L1701-F1710 HydrophobicContact CD2-CG 4.08Å; L1701-F1710 HydrophobicContact CD2-CZ 3.75Å; L1701-F1710 HydrophobicContact CG-CE1 4.39Å; L1701-F1710 HydrophobicContact CG-CZ 4.16Å |
| 1702 | T | 92.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 28.2 Ų | 28.2 | 7% | 0.074 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 5.8 | 178.8 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | I1667 R1671 S1698 D1699 Y1700 F1704 G1705 | I1667-T1702 HydrophobicContact CD1-CG2 3.63Å; I1667-T1702 HydrophobicContact CG1-CG2 4.02Å; R1671-T1702 HydrophobicContact CB-CG2 4.19Å; S1698-T1702 WeakPolarHBondContact O-CG2 3.25Å; S1698-T1702 PolarHBondContact O-N 3.41Å; S1698-T1702 PolarHBondContact O-OG1 3.3Å; D1699-T1702 CarbonylContact O-C 3.44Å; D1699-T1702 PolarHBondContact O-N 3.33Å; D1699-T1702 PolarHBondContact O-OG1 3.1Å; Y1700-T1702 PolarHBondContact O-N 2.98Å; T1702-F1704 PolarHBondContact O-N 3.4Å; T1702-F1704 VanDerWaalsContact O-N 3.1Å; T1702-G1705 PolarHBondContact O-N 3.32Å |
| 1703 | K | 89.3 | Confident | 89.7 | Confident | 61 Ų | 61 | 36 Ų | 36 | 27% | 0.265 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.5 | -169.8 | 73.5 | -174.7 | -178.3 | 179.9 | 0 | 115.5 | I1051 D1699 Y1700 | I1051-K1703 HydrophobicContact CD1-CB 4.32Å; I1051-K1703 HydrophobicContact CD1-CD 3.75Å; D1699-K1703 WeakPolarHBondContact O-CA 3.46Å; D1699-K1703 PolarHBondContact O-N 3.34Å; Y1700-K1703 HydrophobicContact CD2-CD 4.31Å; Y1700-K1703 HydrophobicContact CE2-CD 4.45Å; Y1700-K1703 WeakPolarHBondContact O-CG 3.29Å; Y1700-K1703 PolarHBondContact O-N 2.74Å |
| 1704 | F | 84.3 | Confident | 89.2 | Confident | 103 Ų | 103 | 36.3 Ų | 36.3 | 45% | 0.452 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 8.3 | -179.9 | -62.8 | -66 | 0 | 0 | 0 | 113.5 | T1702 V1706 H1708 S1717 | T1702-F1704 PolarHBondContact O-N 3.4Å; T1702-F1704 VanDerWaalsContact O-N 3.1Å; F1704-V1706 PolarHBondContact O-N 3.14Å; F1704-H1708 AromaticContact CD2-CD2 3.78Å; F1704-S1717 VanDerWaalsContact CE2-OG 3.25Å; F1704-S1717 WeakPolarHBondContact CE2-OG 3.48Å; F1704-S1717 VanDerWaalsContact CZ-OG 3.27Å; F1704-S1717 WeakPolarHBondContact CZ-OG 3.44Å |
| 1705 | G | 85.4 | Confident | 88.9 | Confident | 40 Ų | 40 | 36.3 Ų | 36.3 | 41% | 0.412 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 75.7 | 5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1702 | T1702-G1705 PolarHBondContact O-N 3.32Š|
| 1706 | V | 86.4 | Confident | 88.4 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -133.2 | 146 | 175 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | F1704 H1708 | F1704-V1706 PolarHBondContact O-N 3.14Å; V1706-H1708 PolarHBondContact O-N 2.96Å |
| 1707 | Y | 88.9 | Confident | 87.7 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | trans | -73.1 | 112.5 | 173.6 | 165.3 | -118.9 | 0 | 0 | 0 | 110.8 | I1240 I1658 T1659 L1674 L1701 | I1240-Y1707 VanDerWaalsContact C-OH 3.32Å; I1240-Y1707 WeakPolarHBondContact CA-OH 3.24Å; I1240-Y1707 PolarHBondContact O-OH 2.9Å; I1658-Y1707 HydrophobicContact CB-CD1 4.4Å; I1658-Y1707 HydrophobicContact CB-CE1 4.3Å; I1658-Y1707 HydrophobicContact CD1-CE2 4.4Å; I1658-Y1707 HydrophobicContact CG2-CD1 4.01Å; I1658-Y1707 HydrophobicContact CG2-CD2 4.09Å; I1658-Y1707 HydrophobicContact CG2-CE1 4.27Å; I1658-Y1707 HydrophobicContact CG2-CE2 4.38Å; I1658-Y1707 HydrophobicContact CG2-CG 3.87Å; T1659-Y1707 HydrophobicContact CG2-CD1 3.94Å; T1659-Y1707 HydrophobicContact CG2-CE1 4.27Å; L1674-Y1707 HydrophobicContact CD1-CE2 4.32Å; L1674-Y1707 HydrophobicContact CD2-CD2 4.49Å; L1674-Y1707 HydrophobicContact CD2-CE2 4.38Å; L1701-Y1707 HydrophobicContact CB-CD2 4.44Å; L1701-Y1707 WeakPolarHBondContact O-CA 3.5Å | ||
| 1708 | H | 88 | Confident | 87.3 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | trans | -113.7 | 125.8 | 173.6 | -75.2 | -74 | 0 | 0 | 0 | 109.5 | L1701 F1704 V1706 | L1701-H1708 WeakPolarHBondContact CB-O 3.48Å; L1701-H1708 WeakPolarHBondContact CD2-O 3.34Å; L1701-H1708 PolarHBondContact O-N 3.34Å; F1704-H1708 AromaticContact CD2-CD2 3.78Å; V1706-H1708 PolarHBondContact O-N 2.96Å | ||
| 1709 | A | 88.7 | Confident | 87 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | trans | -80.4 | 165.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1242 N1711 S1714 | M1242-A1709 WeakPolarHBondContact O-CB 3.5Å; A1709-N1711 VanDerWaalsContact C-N 3.31Å; A1709-N1711 PolarHBondContact O-N 3.21Å; A1709-S1714 WeakPolarHBondContact O-CB 3.45Å; A1709-S1714 PolarHBondContact O-OG 2.91Å | ||
| 1710 | F | 89.6 | Confident | 86.8 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -71.6 | 77.4 | 176.4 | -61.2 | -56.1 | 0 | 0 | 0 | 112.2 | A1028 H1031 L1032 L1241 I1697 Y1700 L1701 | A1028-F1710 HydrophobicContact CB-CD2 4.26Å; A1028-F1710 HydrophobicContact CB-CE2 4.17Å; H1031-F1710 HydrophobicContact CB-CD1 3.53Å; H1031-F1710 HydrophobicContact CB-CE1 3.73Å; H1031-F1710 AromaticContact CD2-CD1 3.93Å; H1031-F1710 AromaticContact CG-CD1 3.49Å; H1031-F1710 VanDerWaalsContact CG-CD1 3.49Å; H1031-F1710 AromaticContact ND1-CD1 3.8Å; L1032-F1710 HydrophobicContact CD1-CE1 4.39Å; L1032-F1710 HydrophobicContact CD1-CZ 3.99Å; L1032-F1710 HydrophobicContact CD2-CE1 4.14Å; L1032-F1710 HydrophobicContact CD2-CZ 4.37Å; L1032-F1710 HydrophobicContact CG-CE1 4.16Å; L1032-F1710 HydrophobicContact CG-CZ 4.26Å; L1241-F1710 HydrophobicContact CB-CD2 4.15Å; L1241-F1710 HydrophobicContact CD2-CE2 4.25Å; L1241-F1710 VanDerWaalsContact O-CB 3.28Å; L1241-F1710 WeakPolarHBondContact O-CB 3.5Å; L1241-F1710 VanDerWaalsContact O-CD2 3.3Å; L1241-F1710 WeakPolarHBondContact O-CD2 3.08Å; L1241-F1710 PolarHBondContact O-N 3.24Å; I1697-F1710 HydrophobicContact CG2-CE2 4.09Å; I1697-F1710 HydrophobicContact CG2-CZ 3.98Å; Y1700-F1710 AromaticContact CD1-CE1 3.79Å; Y1700-F1710 HydrophobicContact CD1-CE1 3.79Å; Y1700-F1710 HydrophobicContact CE1-CD1 4.39Å; Y1700-F1710 AromaticContact CE1-CE1 3.96Å; Y1700-F1710 HydrophobicContact CE1-CE1 3.96Å; L1701-F1710 HydrophobicContact CD1-CE2 4.3Å; L1701-F1710 HydrophobicContact CD1-CZ 4.36Å; L1701-F1710 HydrophobicContact CD2-CD1 3.8Å; L1701-F1710 HydrophobicContact CD2-CD2 4.18Å; L1701-F1710 HydrophobicContact CD2-CE1 3.64Å; L1701-F1710 HydrophobicContact CD2-CE2 4.02Å; L1701-F1710 HydrophobicContact CD2-CG 4.08Å; L1701-F1710 HydrophobicContact CD2-CZ 3.75Å; L1701-F1710 HydrophobicContact CG-CE1 4.39Å; L1701-F1710 HydrophobicContact CG-CZ 4.16Å |
| 1711 | N | 85.7 | Confident | 86.7 | Confident | 39 Ų | 39 | 44.1 Ų | 44.1 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -136.9 | -179.8 | 178.7 | 62.2 | 40.4 | 0 | 0 | 0 | 111.9 | H1031 M1242 A1709 R1713 S1714 M1715 | H1031-N1711 PolarHBondContact NE2-O 2.88Å; M1242-N1711 WeakPolarHBondContact O-CB 3.26Å; M1242-N1711 PolarHBondContact O-ND2 3.05Å; A1709-N1711 VanDerWaalsContact C-N 3.31Å; A1709-N1711 PolarHBondContact O-N 3.21Å; N1711-R1713 PolarHBondContact O-N 2.84Å; N1711-R1713 WeakPolarHBondContact OD1-CA 3.29Å; N1711-R1713 VanDerWaalsContact OD1-CB 3.31Å; N1711-R1713 WeakPolarHBondContact OD1-CB 3.32Å; N1711-R1713 PolarHBondContact OD1-N 3.18Å; N1711-S1714 PolarHBondContact N-OG 2.85Å; N1711-S1714 VanDerWaalsContact N-OG 3.11Å; N1711-S1714 PolarHBondContact O-N 3.46Å; N1711-S1714 PolarHBondContact O-OG 3.34Å; N1711-S1714 PolarHBondContact OD1-N 3.45Å; N1711-S1714 VanDerWaalsContact OD1-N 3.12Å; N1711-M1715 PolarHBondContact O-N 2.84Å; N1711-M1715 VanDerWaalsContact O-N 3.08Å |
| 1712 | R | 81 | Confident | 86.7 | Confident | 100 Ų | 100 | 44.2 Ų | 44.2 | 38% | 0.377 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.4 | -33.9 | 178.6 | -161.1 | 177.2 | 166.1 | -169.1 | 1.8 | 114.1 | M1715 S1716 E1728 T1729 N1732 | R1712-M1715 PolarHBondContact O-N 3.12Å; R1712-S1716 PolarHBondContact O-N 2.83Å; R1712-S1716 VanDerWaalsContact O-N 3.07Å; R1712-E1728 VanDerWaalsContact CB-OE1 3.25Å; R1712-E1728 WeakPolarHBondContact CB-OE1 3.43Å; R1712-E1728 HydrophobicContact CG-CG 4.26Å; R1712-T1729 PolarHBondContact NE-OG1 2.85Å; R1712-T1729 VanDerWaalsContact NH2-CG2 3.35Å; R1712-T1729 PolarHBondContact NH2-OG1 2.83Å; R1712-N1732 PolarHBondContact NH2-ND2 2.95Å |
| 1713 | R | 79.6 | Confident | 86.7 | Confident | 188 Ų | 188 | 43.7 Ų | 43.7 | 71% | 0.709 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -72.6 | -35.6 | -176.2 | -56.1 | -179.4 | -177.2 | 176.5 | 2.8 | 111.4 | N1711 S1716 | N1711-R1713 PolarHBondContact O-N 2.84Å; N1711-R1713 WeakPolarHBondContact OD1-CA 3.29Å; N1711-R1713 VanDerWaalsContact OD1-CB 3.31Å; N1711-R1713 WeakPolarHBondContact OD1-CB 3.32Å; N1711-R1713 PolarHBondContact OD1-N 3.18Å; R1713-S1716 PolarHBondContact O-OG 2.66Å |
| 1714 | S | 83.3 | Confident | 86.8 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -37.5 | 171.5 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | H1031 A1709 N1711 S1716 S1717 | H1031-S1714 PolarHBondContact NE2-OG 2.86Å; A1709-S1714 WeakPolarHBondContact O-CB 3.45Å; A1709-S1714 PolarHBondContact O-OG 2.91Å; N1711-S1714 PolarHBondContact N-OG 2.85Å; N1711-S1714 VanDerWaalsContact N-OG 3.11Å; N1711-S1714 PolarHBondContact O-N 3.46Å; N1711-S1714 PolarHBondContact O-OG 3.34Å; N1711-S1714 PolarHBondContact OD1-N 3.45Å; N1711-S1714 VanDerWaalsContact OD1-N 3.12Å; S1714-S1716 VanDerWaalsContact C-N 3.32Å; S1714-S1716 PolarHBondContact O-N 2.8Å; S1714-S1717 PolarHBondContact O-N 3.21Å; S1714-S1717 PolarHBondContact O-OG 3.2Å |
| 1715 | M | 85.7 | Confident | 87 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.3 | -30.6 | -179.7 | -174.2 | 57.7 | 74.4 | 0 | 0 | 112.5 | K1030 H1031 N1711 R1712 S1717 H1718 Q1724 F1727 | K1030-M1715 HydrophobicContact CB-CE 4.26Å; K1030-M1715 WeakPolarHBondContact O-CE 3.32Å; H1031-M1715 HydrophobicContact CB-CE 4.38Å; N1711-M1715 PolarHBondContact O-N 2.84Å; N1711-M1715 VanDerWaalsContact O-N 3.08Å; R1712-M1715 PolarHBondContact O-N 3.12Å; M1715-S1717 PolarHBondContact O-N 3.38Å; M1715-S1717 VanDerWaalsContact O-N 3.15Å; M1715-H1718 WeakPolarHBondContact O-CB 3.29Å; M1715-H1718 PolarHBondContact O-N 2.95Å; M1715-H1718 HydrophobicContact SD-CB 3.82Å; M1715-Q1724 HydrophobicContact CG-CB 4.35Å; M1715-Q1724 HydrophobicContact CG-CG 4.15Å; M1715-Q1724 WeakPolarHBondContact O-CG 3.27Å; M1715-Q1724 PolarHBondContact O-NE2 2.82Å; M1715-Q1724 HydrophobicContact SD-CG 4.36Å; M1715-F1727 HydrophobicContact CB-CD1 4.01Å; M1715-F1727 HydrophobicContact CB-CE1 4.37Å; M1715-F1727 HydrophobicContact CE-CB 4.37Å; M1715-F1727 HydrophobicContact CE-CD1 4.47Å; M1715-F1727 HydrophobicContact CE-CG 4.22Å; M1715-F1727 HydrophobicContact CG-CB 4.23Å; M1715-F1727 HydrophobicContact CG-CD1 3.87Å; M1715-F1727 HydrophobicContact CG-CG 4.27Å |
| 1716 | S | 83.4 | Confident | 87.2 | Confident | 72 Ų | 72 | 35.1 Ų | 35.1 | 50% | 0.503 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.8 | -179.5 | 50.3 | 0 | 0 | 0 | 0 | 114.7 | R1712 R1713 S1714 Q1724 | R1712-S1716 PolarHBondContact O-N 2.83Å; R1712-S1716 VanDerWaalsContact O-N 3.07Å; R1713-S1716 PolarHBondContact O-OG 2.66Å; S1714-S1716 VanDerWaalsContact C-N 3.32Å; S1714-S1716 PolarHBondContact O-N 2.8Å; S1716-Q1724 PolarHBondContact O-NE2 3.27Å |
| 1717 | S | 81 | Confident | 87.1 | Confident | 60 Ų | 60 | 32.6 Ų | 32.6 | 42% | 0.42 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.7 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | F1704 S1714 M1715 | F1704-S1717 VanDerWaalsContact CE2-OG 3.25Å; F1704-S1717 WeakPolarHBondContact CE2-OG 3.48Å; F1704-S1717 VanDerWaalsContact CZ-OG 3.27Å; F1704-S1717 WeakPolarHBondContact CZ-OG 3.44Å; S1714-S1717 PolarHBondContact O-N 3.21Å; S1714-S1717 PolarHBondContact O-OG 3.2Å; M1715-S1717 PolarHBondContact O-N 3.38Å; M1715-S1717 VanDerWaalsContact O-N 3.15Å |
| 1718 | H | 87 | Confident | 86.6 | Confident | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | trans | -68.5 | 140.6 | 178.8 | -165.5 | -84.5 | 0 | 0 | 0 | 111.9 | D1034 S1046 M1715 S1720 Q1723 Q1724 | D1034-H1718 IonicContact OD1-NE2 3.12Å; D1034-H1718 IonicContact OD2-CE1 3.16Å; D1034-H1718 PolarHBondContact OD2-CE1 3.27Å; D1034-H1718 VanDerWaalsContact OD2-CE1 3.31Å; D1034-H1718 IonicContact OD2-NE2 3.69Å; D1034-H1718 PolarHBondContact OD2-NE2 2.94Å; D1034-H1718 VanDerWaalsContact OD2-NE2 3.1Å; S1046-H1718 PolarHBondContact OG-CE1 3.45Å; M1715-H1718 WeakPolarHBondContact O-CB 3.29Å; M1715-H1718 PolarHBondContact O-N 2.95Å; M1715-H1718 HydrophobicContact SD-CB 3.82Å; H1718-S1720 PolarHBondContact ND1-N 2.78Å; H1718-S1720 PolarHBondContact O-N 3.42Å; H1718-Q1723 PolarHBondContact CE1-OE1 3.5Å; H1718-Q1723 PolarHBondContact NE2-NE2 3.45Å; H1718-Q1724 HydrophobicContact CB-CG 4.14Å; H1718-Q1724 PolarHBondContact O-NE2 2.97Å | ||
| 1719 | P | 86.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 32.4 Ų | 32.4 | 38% | 0.377 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -65.9 | -27.8 | -174.3 | 23.2 | -35.4 | 0 | 0 | 0 | 115.7 | P1721 | P1719-P1721 WeakPolarHBondContact O-CD 3.29Š|
| 1720 | S | 90.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -96.2 | 112 | -179.7 | 171.6 | 0 | 0 | 0 | 0 | 112.5 | H1718 I1722 Q1723 Q1724 D1744 S1748 | H1718-S1720 PolarHBondContact ND1-N 2.78Å; H1718-S1720 PolarHBondContact O-N 3.42Å; S1720-I1722 VanDerWaalsContact C-N 3.31Å; S1720-I1722 PolarHBondContact O-N 3.47Å; S1720-Q1723 PolarHBondContact O-N 3.4Å; S1720-Q1723 PolarHBondContact OG-N 2.89Å; S1720-Q1724 WeakPolarHBondContact O-CG 3.42Å; S1720-Q1724 PolarHBondContact O-N 2.9Å; S1720-D1744 PolarHBondContact OG-OD2 3.47Å; S1720-S1748 PolarHBondContact OG-OG 3.18Å | ||
| 1721 | P | 91.4 | Very high | 86.1 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.058 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.9 | -36.5 | 173.5 | -28.7 | 36.3 | 0 | 0 | 0 | 114.4 | Y14 P1719 Q1724 M1725 S1737 D1744 | Y14-P1721 HydrophobicContact CE2-CB 4.12Å; Y14-P1721 HydrophobicContact CE2-CG 4.31Å; P1719-P1721 WeakPolarHBondContact O-CD 3.29Å; P1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; P1721-Q1724 PolarHBondContact O-N 3.34Å; P1721-M1725 HydrophobicContact CB-CE 4.26Å; P1721-M1725 WeakPolarHBondContact O-CG 3.25Å; P1721-M1725 PolarHBondContact O-N 2.89Å; P1721-S1737 WeakPolarHBondContact CB-OG 3.47Å; P1721-D1744 WeakPolarHBondContact CD-OD2 3.42Å |
| 1722 | I | 92.3 | Very high | 86.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | -179.1 | -64.8 | 172.9 | 0 | 0 | 0 | 110.3 | L12 Y14 F449 S1720 Q1724 M1725 T1726 D1744 L1746 A1751 V1754 | L12-I1722 HydrophobicContact CD1-CD1 3.97Å; Y14-I1722 WeakPolarHBondContact OH-CG1 3.34Å; F449-I1722 HydrophobicContact CE1-CG2 4.42Å; S1720-I1722 VanDerWaalsContact C-N 3.31Å; S1720-I1722 PolarHBondContact O-N 3.47Å; I1722-Q1724 VanDerWaalsContact C-N 3.29Å; I1722-Q1724 PolarHBondContact O-N 2.96Å; I1722-M1725 WeakPolarHBondContact O-CB 3.45Å; I1722-M1725 PolarHBondContact O-N 3.18Å; I1722-M1725 VanDerWaalsContact O-N 3.1Å; I1722-T1726 HydrophobicContact CG2-CG2 4.2Å; I1722-T1726 WeakPolarHBondContact O-CG2 3.44Å; I1722-T1726 PolarHBondContact O-N 3.12Å; I1722-D1744 WeakPolarHBondContact CB-OD2 3.33Å; I1722-D1744 HydrophobicContact CD1-CB 4.28Å; I1722-D1744 HydrophobicContact CG1-CB 4.45Å; I1722-D1744 WeakPolarHBondContact CG1-OD2 3.46Å; I1722-D1744 PolarHBondContact N-OD2 3.36Å; I1722-L1746 HydrophobicContact CD1-CD2 3.7Å; I1722-A1751 HydrophobicContact CB-CB 3.93Å; I1722-A1751 HydrophobicContact CD1-CB 4.05Å; I1722-A1751 HydrophobicContact CG2-CB 4.18Å; I1722-V1754 HydrophobicContact CG2-CB 4.02Å; I1722-V1754 HydrophobicContact CG2-CG1 4.36Å; I1722-V1754 HydrophobicContact CG2-CG2 3.69Å |
| 1723 | Q | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175 | -172.5 | 172.1 | -14.7 | 0 | 0 | 111.2 | K1030 H1718 S1720 M1725 T1726 F1727 | K1030-Q1723 PolarHBondContact O-NE2 3.29Å; H1718-Q1723 PolarHBondContact CE1-OE1 3.5Å; H1718-Q1723 PolarHBondContact NE2-NE2 3.45Å; S1720-Q1723 PolarHBondContact O-N 3.4Å; S1720-Q1723 PolarHBondContact OG-N 2.89Å; Q1723-M1725 PolarHBondContact O-N 3.33Å; Q1723-T1726 PolarHBondContact O-N 2.66Å; Q1723-T1726 PolarHBondContact O-OG1 2.72Å; Q1723-F1727 PolarHBondContact O-N 3.31Å |
| 1724 | Q | 91.2 | Very high | 87 | Confident | 17 Ų | 17 | 23 Ų | 23 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -44.1 | 172.5 | -60 | -176.9 | 9.7 | 0 | 0 | 112 | M1715 S1716 H1718 S1720 P1721 I1722 T1726 F1727 V1733 | M1715-Q1724 HydrophobicContact CG-CB 4.35Å; M1715-Q1724 HydrophobicContact CG-CG 4.15Å; M1715-Q1724 WeakPolarHBondContact O-CG 3.27Å; M1715-Q1724 PolarHBondContact O-NE2 2.82Å; M1715-Q1724 HydrophobicContact SD-CG 4.36Å; S1716-Q1724 PolarHBondContact O-NE2 3.27Å; H1718-Q1724 HydrophobicContact CB-CG 4.14Å; H1718-Q1724 PolarHBondContact O-NE2 2.97Å; S1720-Q1724 WeakPolarHBondContact O-CG 3.42Å; S1720-Q1724 PolarHBondContact O-N 2.9Å; P1721-Q1724 WeakPolarHBondContact O-CB 3.3Å; P1721-Q1724 PolarHBondContact O-N 3.34Å; I1722-Q1724 VanDerWaalsContact C-N 3.29Å; I1722-Q1724 PolarHBondContact O-N 2.96Å; Q1724-T1726 PolarHBondContact O-N 3.01Å; Q1724-F1727 PolarHBondContact O-N 2.99Å; Q1724-V1733 HydrophobicContact CB-CG1 3.72Å; Q1724-V1733 HydrophobicContact CB-CG2 4Å |
| 1725 | M | 90.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.034 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.3 | -67.4 | 176 | -158.5 | 0 | 0 | 112.5 | Y14 F449 P1721 I1722 Q1723 F1727 V1730 V1733 L1734 | Y14-M1725 HydrophobicContact CE1-CE 3.93Å; F449-M1725 HydrophobicContact CE1-CB 4.25Å; F449-M1725 HydrophobicContact CZ-CB 4.3Å; F449-M1725 HydrophobicContact CZ-SD 4.03Å; P1721-M1725 HydrophobicContact CB-CE 4.26Å; P1721-M1725 WeakPolarHBondContact O-CG 3.25Å; P1721-M1725 PolarHBondContact O-N 2.89Å; I1722-M1725 WeakPolarHBondContact O-CB 3.45Å; I1722-M1725 PolarHBondContact O-N 3.18Å; I1722-M1725 VanDerWaalsContact O-N 3.1Å; Q1723-M1725 PolarHBondContact O-N 3.33Å; M1725-F1727 PolarHBondContact O-N 3.17Å; M1725-V1730 HydrophobicContact CB-CB 4.48Å; M1725-V1730 HydrophobicContact CB-CG1 4.19Å; M1725-V1730 HydrophobicContact CB-CG2 4.23Å; M1725-V1730 HydrophobicContact CG-CG1 4.11Å; M1725-V1730 VanDerWaalsContact O-CG2 3.26Å; M1725-V1730 WeakPolarHBondContact O-CG2 3.3Å; M1725-V1730 HydrophobicContact SD-CG1 4.26Å; M1725-V1733 HydrophobicContact CE-CG1 3.99Å; M1725-V1733 HydrophobicContact CG-CB 3.94Å; M1725-V1733 HydrophobicContact CG-CG1 3.69Å; M1725-L1734 HydrophobicContact CE-CB 3.92Å; M1725-L1734 HydrophobicContact CE-CD1 3.82Å; M1725-L1734 HydrophobicContact CE-CG 4.5Å |
| 1726 | T | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -70.1 | -19.5 | 179 | 70.5 | 0 | 0 | 0 | 0 | 113.9 | F449 M454 R1026 I1722 Q1723 Q1724 S1750 V1754 | F449-T1726 HydrophobicContact CD1-CG2 4.05Å; M454-T1726 HydrophobicContact CE-CG2 4.41Å; M454-T1726 HydrophobicContact CG-CG2 4.26Å; M454-T1726 HydrophobicContact SD-CG2 4.06Å; R1026-T1726 PolarHBondContact NH2-O 3.38Å; I1722-T1726 HydrophobicContact CG2-CG2 4.2Å; I1722-T1726 WeakPolarHBondContact O-CG2 3.44Å; I1722-T1726 PolarHBondContact O-N 3.12Å; Q1723-T1726 PolarHBondContact O-N 2.66Å; Q1723-T1726 PolarHBondContact O-OG1 2.72Å; Q1724-T1726 PolarHBondContact O-N 3.01Å; T1726-S1750 PolarHBondContact OG1-OG 3.49Å; T1726-V1754 HydrophobicContact CG2-CG2 4.29Å |
| 1727 | F | 85.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.5 | -69 | 176.4 | -176.1 | -123.3 | 0 | 0 | 0 | 109.9 | R1026 K1030 M1715 Q1723 Q1724 M1725 | R1026-F1727 PolarHBondContact NH2-O 3.04Å; R1026-F1727 VanDerWaalsContact NH2-O 3.16Å; K1030-F1727 HydrophobicContact CB-CD2 3.76Å; K1030-F1727 HydrophobicContact CB-CE2 4.43Å; K1030-F1727 HydrophobicContact CG-CD2 4.08Å; M1715-F1727 HydrophobicContact CB-CD1 4.01Å; M1715-F1727 HydrophobicContact CB-CE1 4.37Å; M1715-F1727 HydrophobicContact CE-CB 4.37Å; M1715-F1727 HydrophobicContact CE-CD1 4.47Å; M1715-F1727 HydrophobicContact CE-CG 4.22Å; M1715-F1727 HydrophobicContact CG-CB 4.23Å; M1715-F1727 HydrophobicContact CG-CD1 3.87Å; M1715-F1727 HydrophobicContact CG-CG 4.27Å; Q1723-F1727 PolarHBondContact O-N 3.31Å; Q1724-F1727 PolarHBondContact O-N 2.99Å; M1725-F1727 PolarHBondContact O-N 3.17Å |
| 1728 | E | 79.3 | Confident | 87.8 | Confident | 61 Ų | 61 | 21 Ų | 21 | 29% | 0.285 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -167.2 | 162.1 | 177.9 | 58.8 | -169.6 | 171.4 | 0 | 0 | 112.7 | R1712 | R1712-E1728 VanDerWaalsContact CB-OE1 3.25Å; R1712-E1728 WeakPolarHBondContact CB-OE1 3.43Å; R1712-E1728 HydrophobicContact CG-CG 4.26Å |
| 1729 | T | 81.7 | Confident | 87.8 | Confident | 28 Ų | 28 | 21.9 Ų | 21.9 | 17% | 0.172 | 12% | 0.116 | C | C | . | . | trans | 58.8 | 47.8 | 172.4 | 69.2 | 0 | 0 | 0 | 0 | 116.5 | E443 R1712 A1731 N1732 V1733 | E443-T1729 WeakPolarHBondContact OE1-CA 3.35Å; R1712-T1729 PolarHBondContact NE-OG1 2.85Å; R1712-T1729 VanDerWaalsContact NH2-CG2 3.35Å; R1712-T1729 PolarHBondContact NH2-OG1 2.83Å; T1729-A1731 PolarHBondContact O-N 3.35Å; T1729-A1731 VanDerWaalsContact O-N 3.11Å; T1729-N1732 PolarHBondContact O-N 2.95Å; T1729-N1732 VanDerWaalsContact O-N 3.08Å; T1729-V1733 PolarHBondContact O-N 2.81Å | ||
| 1730 | V | 87.8 | Confident | 87.7 | Confident | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -43 | -45.5 | 179.5 | -178.9 | 0 | 0 | 0 | 0 | 113.2 | L442 E443 F449 M1725 N1732 V1733 L1734 | L442-V1730 HydrophobicContact CB-CB 4.28Å; L442-V1730 HydrophobicContact CB-CG1 4.16Å; L442-V1730 HydrophobicContact CD1-CG1 4.26Å; E443-V1730 HydrophobicContact CG-CB 4.08Å; E443-V1730 PolarHBondContact OE1-N 3.08Å; F449-V1730 HydrophobicContact CD2-CG1 3.89Å; F449-V1730 HydrophobicContact CD2-CG2 3.76Å; F449-V1730 HydrophobicContact CE2-CG1 3.48Å; F449-V1730 VanDerWaalsContact CE2-CG1 3.48Å; F449-V1730 HydrophobicContact CE2-CG2 4.22Å; F449-V1730 HydrophobicContact CG-CG2 4.39Å; F449-V1730 HydrophobicContact CZ-CG1 4.29Å; M1725-V1730 HydrophobicContact CB-CB 4.48Å; M1725-V1730 HydrophobicContact CB-CG1 4.19Å; M1725-V1730 HydrophobicContact CB-CG2 4.23Å; M1725-V1730 HydrophobicContact CG-CG1 4.11Å; M1725-V1730 VanDerWaalsContact O-CG2 3.26Å; M1725-V1730 WeakPolarHBondContact O-CG2 3.3Å; M1725-V1730 HydrophobicContact SD-CG1 4.26Å; V1730-N1732 PolarHBondContact O-N 3.41Å; V1730-V1733 PolarHBondContact O-N 3.42Å; V1730-L1734 WeakPolarHBondContact O-CB 3.47Å; V1730-L1734 PolarHBondContact O-N 3.24Å |
| 1731 | A | 86 | Confident | 87.4 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.6 | -36.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | F89 Y411 R439 E443 T1729 K1735 | F89-A1731 HydrophobicContact CE2-CB 4.5Å; Y411-A1731 HydrophobicContact CE2-CB 4.35Å; R439-A1731 HydrophobicContact CG-CB 4.24Å; E443-A1731 HydrophobicContact CG-CB 4.39Å; E443-A1731 WeakPolarHBondContact OE1-CA 3.38Å; E443-A1731 WeakPolarHBondContact OE1-CB 3.41Å; E443-A1731 PolarHBondContact OE1-N 3.41Å; T1729-A1731 PolarHBondContact O-N 3.35Å; T1729-A1731 VanDerWaalsContact O-N 3.11Å; A1731-K1735 VanDerWaalsContact O-CB 3.24Å; A1731-K1735 WeakPolarHBondContact O-CB 3.14Å; A1731-K1735 PolarHBondContact O-N 3.48Å |
| 1732 | N | 86.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 23.2 Ų | 23.2 | 40% | 0.396 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -70.7 | -42.4 | 176.9 | -77.9 | 1.9 | 0 | 0 | 0 | 111.7 | R1712 T1729 V1730 K1735 H1736 | R1712-N1732 PolarHBondContact NH2-ND2 2.95Å; T1729-N1732 PolarHBondContact O-N 2.95Å; T1729-N1732 VanDerWaalsContact O-N 3.08Å; V1730-N1732 PolarHBondContact O-N 3.41Å; N1732-K1735 WeakPolarHBondContact O-CB 3.45Å; N1732-K1735 PolarHBondContact O-N 3.12Å; N1732-H1736 PolarHBondContact O-N 3.35Å |
| 1733 | V | 88.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 28.2 Ų | 28.2 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 109.8 | Q1724 M1725 T1729 V1730 K1735 H1736 S1737 | Q1724-V1733 HydrophobicContact CB-CG1 3.72Å; Q1724-V1733 HydrophobicContact CB-CG2 4Å; M1725-V1733 HydrophobicContact CE-CG1 3.99Å; M1725-V1733 HydrophobicContact CG-CB 3.94Å; M1725-V1733 HydrophobicContact CG-CG1 3.69Å; T1729-V1733 PolarHBondContact O-N 2.81Å; V1730-V1733 PolarHBondContact O-N 3.42Å; V1733-K1735 PolarHBondContact O-N 2.87Å; V1733-H1736 PolarHBondContact O-N 3.32Å; V1733-S1737 WeakPolarHBondContact O-CB 3.44Å; V1733-S1737 PolarHBondContact O-N 2.86Å; V1733-S1737 PolarHBondContact O-OG 3.4Å |
| 1734 | L | 89.6 | Confident | 86.8 | Confident | 42 Ų | 42 | 28.4 Ų | 28.4 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.7 | -38.7 | 177.7 | -177.7 | 63.5 | 0 | 0 | 0 | 111.7 | Y14 F89 M1725 V1730 S1737 L1738 | Y14-L1734 HydrophobicContact CD1-CD1 3.58Å; Y14-L1734 HydrophobicContact CE1-CD1 3.82Å; F89-L1734 HydrophobicContact CE2-CD2 4.5Å; F89-L1734 HydrophobicContact CZ-CB 4.19Å; F89-L1734 HydrophobicContact CZ-CD2 4.16Å; F89-L1734 HydrophobicContact CZ-CG 3.98Å; M1725-L1734 HydrophobicContact CE-CB 3.92Å; M1725-L1734 HydrophobicContact CE-CD1 3.82Å; M1725-L1734 HydrophobicContact CE-CG 4.5Å; V1730-L1734 WeakPolarHBondContact O-CB 3.47Å; V1730-L1734 PolarHBondContact O-N 3.24Å; L1734-S1737 PolarHBondContact O-N 3.28Å; L1734-L1738 HydrophobicContact CD1-CD1 4.28Å; L1734-L1738 HydrophobicContact CG-CD1 4.06Å; L1734-L1738 WeakPolarHBondContact O-CB 3.37Å; L1734-L1738 WeakPolarHBondContact O-CG 3.45Å; L1734-L1738 PolarHBondContact O-N 3.5Å |
| 1735 | K | 88.3 | Confident | 86.7 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 176.5 | -177.6 | 176.6 | -177.5 | 161.8 | 0 | 112 | F89 M90 D92 A1731 N1732 V1733 Q1739 | F89-K1735 HydrophobicContact CE1-CB 3.83Å; F89-K1735 HydrophobicContact CE1-CG 4.19Å; F89-K1735 HydrophobicContact CE2-CB 4.31Å; F89-K1735 HydrophobicContact CZ-CB 3.58Å; F89-K1735 HydrophobicContact CZ-CG 4.37Å; F89-K1735 WeakPolarHBondContact O-CE 3.5Å; F89-K1735 PolarHBondContact O-NZ 2.89Å; M90-K1735 HydrophobicContact CE-CG 3.96Å; M90-K1735 HydrophobicContact SD-CG 4.08Å; D92-K1735 IonicContact OD2-NZ 3.06Å; D92-K1735 PolarHBondContact OD2-NZ 3.26Å; A1731-K1735 VanDerWaalsContact O-CB 3.24Å; A1731-K1735 WeakPolarHBondContact O-CB 3.14Å; A1731-K1735 PolarHBondContact O-N 3.48Å; N1732-K1735 WeakPolarHBondContact O-CB 3.45Å; N1732-K1735 PolarHBondContact O-N 3.12Å; V1733-K1735 PolarHBondContact O-N 2.87Å; K1735-Q1739 VanDerWaalsContact O-CG 3.27Å; K1735-Q1739 WeakPolarHBondContact O-CG 3.48Å; K1735-Q1739 PolarHBondContact O-N 3.33Å |
| 1736 | H | 86.2 | Confident | 86.6 | Confident | 62 Ų | 62 | 32.2 Ų | 32.2 | 29% | 0.287 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66 | -44.8 | 176.2 | -175 | -97.1 | 0 | 0 | 0 | 111.5 | N1732 V1733 L1738 Q1739 N1740 | N1732-H1736 PolarHBondContact O-N 3.35Å; V1733-H1736 PolarHBondContact O-N 3.32Å; H1736-L1738 VanDerWaalsContact C-N 3.3Å; H1736-L1738 PolarHBondContact O-N 3.14Å; H1736-Q1739 PolarHBondContact O-N 2.84Å; H1736-Q1739 VanDerWaalsContact O-N 3.15Å; H1736-N1740 PolarHBondContact CE1-ND2 3.36Å; H1736-N1740 PolarHBondContact NE2-ND2 3.35Å; H1736-N1740 PolarHBondContact O-N 3.39Å |
| 1737 | S | 88.5 | Confident | 86.6 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -39.4 | 175.9 | -66.8 | 0 | 0 | 0 | 0 | 113.1 | P1721 V1733 L1734 D1741 S1742 | P1721-S1737 WeakPolarHBondContact CB-OG 3.47Å; V1733-S1737 WeakPolarHBondContact O-CB 3.44Å; V1733-S1737 PolarHBondContact O-N 2.86Å; V1733-S1737 PolarHBondContact O-OG 3.4Å; L1734-S1737 PolarHBondContact O-N 3.28Å; S1737-D1741 PolarHBondContact O-N 3.13Å; S1737-S1742 WeakPolarHBondContact CA-OG 3.49Å; S1737-S1742 WeakPolarHBondContact CB-OG 3.47Å; S1737-S1742 PolarHBondContact O-N 3.19Å; S1737-S1742 PolarHBondContact O-OG 3.39Å; S1737-S1742 VanDerWaalsContact O-OG 3.05Å; S1737-S1742 PolarHBondContact OG-OG 3.39Å |
| 1738 | L | 88.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 33.9 Ų | 33.9 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.1 | -42.5 | 174.2 | -80.5 | 164.5 | 0 | 0 | 0 | 111.9 | G15 F16 F89 M90 M296 L1734 H1736 N1740 D1741 | G15-L1738 VanDerWaalsContact N-CD2 3.35Å; F16-L1738 HydrophobicContact CD2-CD2 4.43Å; F16-L1738 HydrophobicContact CE1-CD1 4.42Å; F16-L1738 HydrophobicContact CE2-CB 4.3Å; F16-L1738 HydrophobicContact CE2-CD2 4.18Å; F16-L1738 HydrophobicContact CZ-CB 4.28Å; F16-L1738 HydrophobicContact CZ-CD1 4.24Å; F16-L1738 HydrophobicContact CZ-CD2 4.39Å; F89-L1738 HydrophobicContact CD1-CD1 4.3Å; F89-L1738 HydrophobicContact CE1-CD1 3.46Å; F89-L1738 VanDerWaalsContact CE1-CD1 3.46Å; F89-L1738 HydrophobicContact CZ-CD1 4.1Å; M90-L1738 HydrophobicContact CE-CB 3.79Å; M90-L1738 HydrophobicContact CE-CD1 4.44Å; M296-L1738 WeakPolarHBondContact CB-O 3.23Å; L1734-L1738 HydrophobicContact CD1-CD1 4.28Å; L1734-L1738 HydrophobicContact CG-CD1 4.06Å; L1734-L1738 WeakPolarHBondContact O-CB 3.37Å; L1734-L1738 WeakPolarHBondContact O-CG 3.45Å; L1734-L1738 PolarHBondContact O-N 3.5Å; H1736-L1738 VanDerWaalsContact C-N 3.3Å; H1736-L1738 PolarHBondContact O-N 3.14Å; L1738-N1740 VanDerWaalsContact C-N 3.29Å; L1738-N1740 PolarHBondContact O-N 2.93Å; L1738-D1741 PolarHBondContact O-N 3.04Å |
| 1739 | Q | 86.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 177.7 | -76.8 | 169 | 11.8 | 0 | 0 | 112.5 | M90 P295 M296 K1735 H1736 | M90-Q1739 HydrophobicContact CE-CG 4.17Å; P295-Q1739 VanDerWaalsContact CD-O 3.32Å; P295-Q1739 WeakPolarHBondContact CD-O 3.45Å; M296-Q1739 PolarHBondContact N-O 3.19Å; M296-Q1739 HydrophobicContact SD-CG 4.19Å; K1735-Q1739 VanDerWaalsContact O-CG 3.27Å; K1735-Q1739 WeakPolarHBondContact O-CG 3.48Å; K1735-Q1739 PolarHBondContact O-N 3.33Å; H1736-Q1739 PolarHBondContact O-N 2.84Å; H1736-Q1739 VanDerWaalsContact O-N 3.15Å |
| 1740 | N | 83.9 | Confident | 88 | Confident | 28 Ų | 28 | 30.8 Ų | 30.8 | 15% | 0.15 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.1 | -176.6 | -66.6 | -4.1 | 0 | 0 | 0 | 114 | H1736 L1738 S1742 | H1736-N1740 PolarHBondContact CE1-ND2 3.36Å; H1736-N1740 PolarHBondContact NE2-ND2 3.35Å; H1736-N1740 PolarHBondContact O-N 3.39Å; L1738-N1740 VanDerWaalsContact C-N 3.29Å; L1738-N1740 PolarHBondContact O-N 2.93Å; N1740-S1742 PolarHBondContact O-N 3.21Å |
| 1741 | D | 85.2 | Confident | 88.2 | Confident | 40 Ų | 40 | 30.6 Ų | 30.6 | 21% | 0.214 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42 | -173.7 | -171.1 | 31.2 | 0 | 0 | 0 | 112.2 | R13 P295 S1737 L1738 | R13-D1741 IonicContact CZ-OD1 3.02Å; R13-D1741 IonicContact CZ-OD2 3.8Å; R13-D1741 IonicContact NE-OD1 3.2Å; R13-D1741 PolarHBondContact NE-OD1 2.89Å; R13-D1741 IonicContact NE-OD2 2.83Å; R13-D1741 IonicContact NH2-OD1 3.04Å; R13-D1741 PolarHBondContact NH2-OD1 3.44Å; R13-D1741 IonicContact NH2-OD2 2.97Å; R13-D1741 PolarHBondContact NH2-OD2 2.98Å; P295-D1741 HydrophobicContact CB-CB 4.37Å; S1737-D1741 PolarHBondContact O-N 3.13Å; L1738-D1741 PolarHBondContact O-N 3.04Å |
| 1742 | S | 83.8 | Confident | 88.4 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 21% | 0.21 | 16% | 0.162 | C | C | . | . | trans | -68.4 | 151.2 | -177.5 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | Y14 S1737 N1740 | Y14-S1742 WeakPolarHBondContact CD2-O 3.31Å; S1737-S1742 WeakPolarHBondContact CA-OG 3.49Å; S1737-S1742 WeakPolarHBondContact CB-OG 3.47Å; S1737-S1742 PolarHBondContact O-N 3.19Å; S1737-S1742 PolarHBondContact O-OG 3.39Å; S1737-S1742 VanDerWaalsContact O-OG 3.05Å; S1737-S1742 PolarHBondContact OG-OG 3.39Å; N1740-S1742 PolarHBondContact O-N 3.21Å | ||
| 1743 | M | 88 | Confident | 88.6 | Confident | 111 Ų | 111 | 31.1 Ų | 31.1 | 55% | 0.547 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.7 | 172.6 | -172 | 178.6 | -139.1 | 0 | 0 | 108.9 | L12 | L12-M1743 WeakPolarHBondContact O-CA 3.22Å; L12-M1743 WeakPolarHBondContact O-CG 3.48Å |
| 1744 | D | 90.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.4 | 170.8 | -162.1 | -39.3 | 0 | 0 | 0 | 109.4 | G11 L12 Y14 S1720 P1721 I1722 L1746 | G11-D1744 CarbonylContact C-O 3.49Å; G11-D1744 WeakPolarHBondContact CA-O 3.39Å; L12-D1744 PolarHBondContact N-O 3.4Å; L12-D1744 PolarHBondContact O-N 3.06Å; Y14-D1744 HydrophobicContact CE2-CB 4.43Å; S1720-D1744 PolarHBondContact OG-OD2 3.47Å; P1721-D1744 WeakPolarHBondContact CD-OD2 3.42Å; I1722-D1744 WeakPolarHBondContact CB-OD2 3.33Å; I1722-D1744 HydrophobicContact CD1-CB 4.28Å; I1722-D1744 HydrophobicContact CG1-CB 4.45Å; I1722-D1744 WeakPolarHBondContact CG1-OD2 3.46Å; I1722-D1744 PolarHBondContact N-OD2 3.36Å; D1744-L1746 PolarHBondContact O-N 3.01Å; D1744-L1746 PolarHBondContact OD1-N 3.01Å |
| 1745 | N | 88.6 | Confident | 88.8 | Confident | 104 Ų | 104 | 31.6 Ų | 31.6 | 56% | 0.556 | 17% | 0.173 | S | C | * | . | trans | -80.9 | 1.2 | -179.4 | -65.9 | -29.7 | 0 | 0 | 0 | 113.4 | V1747 | N1745-V1747 HydrophobicContact CB-CG2 4.08Å; N1745-V1747 PolarHBondContact O-N 3.31Å; N1745-V1747 VanDerWaalsContact O-N 3.11Å | ||
| 1746 | L | 88.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 58.3 | 23.9 | 177.9 | -53.9 | 178.7 | 0 | 0 | 0 | 114.8 | I9 L12 I1722 D1744 A1751 S1752 A1755 | I9-L1746 HydrophobicContact CB-CD1 4.32Å; I9-L1746 HydrophobicContact CG2-CD1 3.65Å; L12-L1746 HydrophobicContact CD1-CD2 3.96Å; L12-L1746 HydrophobicContact CG-CD1 4.32Å; L12-L1746 HydrophobicContact CG-CD2 4.17Å; I1722-L1746 HydrophobicContact CD1-CD2 3.7Å; D1744-L1746 PolarHBondContact O-N 3.01Å; D1744-L1746 PolarHBondContact OD1-N 3.01Å; L1746-A1751 HydrophobicContact CD2-CB 3.92Å; L1746-S1752 PolarHBondContact O-OG 2.89Å; L1746-A1755 HydrophobicContact CD1-CB 3.86Å; L1746-A1755 HydrophobicContact CD2-CB 4.18Å |
| 1747 | V | 88.7 | Confident | 88.7 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | trans | -78.7 | -35.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | N1745 Y1761 | N1745-V1747 HydrophobicContact CB-CG2 4.08Å; N1745-V1747 PolarHBondContact O-N 3.31Å; N1745-V1747 VanDerWaalsContact O-N 3.11Å; V1747-Y1761 HydrophobicContact CG1-CD2 4Å | ||
| 1748 | S | 90.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -63.6 | 146.7 | 179.8 | 68.7 | 0 | 0 | 0 | 0 | 111.3 | S1720 S1750 A1751 S1752 | S1720-S1748 PolarHBondContact OG-OG 3.18Å; S1748-S1750 VanDerWaalsContact C-N 3.31Å; S1748-S1750 PolarHBondContact O-N 3.44Å; S1748-A1751 PolarHBondContact O-N 3.23Å; S1748-A1751 VanDerWaalsContact O-N 3.13Å; S1748-A1751 WeakPolarHBondContact OG-CB 3.44Å; S1748-A1751 PolarHBondContact OG-N 2.98Å; S1748-S1752 PolarHBondContact O-N 3.34Å |
| 1749 | P | 91.8 | Very high | 88.5 | Confident | 23 Ų | 23 | 39.3 Ų | 39.3 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 177.8 | -26.6 | 35.2 | 0 | 0 | 0 | 112.6 | E1033 A1751 S1752 L1753 V1759 | E1033-P1749 WeakPolarHBondContact O-CG 3.29Å; P1749-A1751 PolarHBondContact O-N 2.94Å; P1749-S1752 PolarHBondContact O-N 3.38Å; P1749-L1753 WeakPolarHBondContact O-CB 3.32Å; P1749-L1753 WeakPolarHBondContact O-CG 3.17Å; P1749-L1753 PolarHBondContact O-N 3.11Å; P1749-V1759 HydrophobicContact CB-CG1 4.24Å; P1749-V1759 HydrophobicContact CB-CG2 4.36Å; P1749-V1759 HydrophobicContact CG-CG1 4.1Å |
| 1750 | S | 92 | Very high | 88.2 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 174.9 | -74.4 | 0 | 0 | 0 | 0 | 112.6 | K1030 E1033 T1726 S1748 L1753 V1754 | K1030-S1750 PolarHBondContact NZ-OG 3.34Å; E1033-S1750 VanDerWaalsContact OE1-CB 3.24Å; E1033-S1750 WeakPolarHBondContact OE1-CB 3.4Å; E1033-S1750 PolarHBondContact OE1-N 3.02Å; E1033-S1750 PolarHBondContact OE1-OG 3.29Å; E1033-S1750 PolarHBondContact OE2-OG 2.98Å; T1726-S1750 PolarHBondContact OG1-OG 3.49Å; S1748-S1750 VanDerWaalsContact C-N 3.31Å; S1748-S1750 PolarHBondContact O-N 3.44Å; S1750-L1753 PolarHBondContact O-N 3Å; S1750-V1754 WeakPolarHBondContact O-CG2 3.47Å; S1750-V1754 PolarHBondContact O-N 2.92Å |
| 1751 | A | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1722 L1746 S1748 P1749 L1753 V1754 A1755 | I1722-A1751 HydrophobicContact CB-CB 3.93Å; I1722-A1751 HydrophobicContact CD1-CB 4.05Å; I1722-A1751 HydrophobicContact CG2-CB 4.18Å; L1746-A1751 HydrophobicContact CD2-CB 3.92Å; S1748-A1751 PolarHBondContact O-N 3.23Å; S1748-A1751 VanDerWaalsContact O-N 3.13Å; S1748-A1751 WeakPolarHBondContact OG-CB 3.44Å; S1748-A1751 PolarHBondContact OG-N 2.98Å; P1749-A1751 PolarHBondContact O-N 2.94Å; A1751-L1753 PolarHBondContact O-N 3.38Å; A1751-V1754 PolarHBondContact O-N 3.31Å; A1751-A1755 WeakPolarHBondContact O-CB 3.41Å; A1751-A1755 PolarHBondContact O-N 3.46Å |
| 1752 | S | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 173.8 | -81.1 | 0 | 0 | 0 | 0 | 111.8 | L1746 S1748 P1749 A1755 G1756 R1757 | L1746-S1752 PolarHBondContact O-OG 2.89Å; S1748-S1752 PolarHBondContact O-N 3.34Å; P1749-S1752 PolarHBondContact O-N 3.38Å; S1752-A1755 PolarHBondContact O-N 2.99Å; S1752-G1756 PolarHBondContact O-N 3.44Å; S1752-R1757 CarbonylContact C-O 3.52Å; S1752-R1757 PolarHBondContact O-N 3.48Å |
| 1753 | L | 91 | Very high | 88 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 46% | 0.461 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 179.5 | -71.8 | 172.9 | 0 | 0 | 0 | 113.1 | M454 P1749 S1750 A1751 G1756 | M454-L1753 HydrophobicContact CE-CB 3.77Å; P1749-L1753 WeakPolarHBondContact O-CB 3.32Å; P1749-L1753 WeakPolarHBondContact O-CG 3.17Å; P1749-L1753 PolarHBondContact O-N 3.11Å; S1750-L1753 PolarHBondContact O-N 3Å; A1751-L1753 PolarHBondContact O-N 3.38Å; L1753-G1756 PolarHBondContact O-N 2.85Å |
| 1754 | V | 91.5 | Very high | 88.1 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | F449 M453 M454 I1722 T1726 S1750 A1751 G1756 | F449-V1754 HydrophobicContact CD1-CG2 4.17Å; F449-V1754 HydrophobicContact CE1-CG1 4.37Å; F449-V1754 HydrophobicContact CE1-CG2 4.27Å; M453-V1754 HydrophobicContact CB-CG2 4.24Å; M453-V1754 HydrophobicContact CE-CG1 4.36Å; M453-V1754 HydrophobicContact SD-CG1 3.83Å; M453-V1754 HydrophobicContact SD-CG2 4.14Å; M454-V1754 HydrophobicContact CE-CB 4.47Å; M454-V1754 HydrophobicContact CE-CG2 3.42Å; M454-V1754 VanDerWaalsContact CE-CG2 3.42Å; I1722-V1754 HydrophobicContact CG2-CB 4.02Å; I1722-V1754 HydrophobicContact CG2-CG1 4.36Å; I1722-V1754 HydrophobicContact CG2-CG2 3.69Å; T1726-V1754 HydrophobicContact CG2-CG2 4.29Å; S1750-V1754 WeakPolarHBondContact O-CG2 3.47Å; S1750-V1754 PolarHBondContact O-N 2.92Å; A1751-V1754 PolarHBondContact O-N 3.31Å; V1754-G1756 VanDerWaalsContact C-N 3.26Å; V1754-G1756 PolarHBondContact O-N 3.04Å |
| 1755 | A | 89.5 | Confident | 87.9 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 26% | 0.256 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -76 | -9.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L1746 A1751 S1752 R1757 | L1746-A1755 HydrophobicContact CD1-CB 3.86Å; L1746-A1755 HydrophobicContact CD2-CB 4.18Å; A1751-A1755 WeakPolarHBondContact O-CB 3.41Å; A1751-A1755 PolarHBondContact O-N 3.46Å; S1752-A1755 PolarHBondContact O-N 2.99Å; A1755-R1757 VanDerWaalsContact C-N 3.28Å |
| 1756 | G | 87 | Confident | 87.9 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 70% | 0.701 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 22.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1752 L1753 V1754 | S1752-G1756 PolarHBondContact O-N 3.44Å; L1753-G1756 PolarHBondContact O-N 2.85Å; V1754-G1756 VanDerWaalsContact C-N 3.26Å; V1754-G1756 PolarHBondContact O-N 3.04Å |
| 1757 | R | 85.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 151 | 176.5 | -166.8 | 177.7 | 173.3 | -172.6 | -11.9 | 110 | I9 V10 S1752 A1755 H1760 | I9-R1757 PolarHBondContact O-NH1 3.42Å; V10-R1757 PolarHBondContact O-NH1 3.1Å; S1752-R1757 CarbonylContact C-O 3.52Å; S1752-R1757 PolarHBondContact O-N 3.48Å; A1755-R1757 VanDerWaalsContact C-N 3.28Å; R1757-H1760 VanDerWaalsContact CZ-NE2 3.3Å; R1757-H1760 PolarHBondContact NE-CD2 2.95Å; R1757-H1760 PolarHBondContact NE-NE2 2.99Å; R1757-H1760 PolarHBondContact NH2-CD2 3.26Å; R1757-H1760 PolarHBondContact NH2-NE2 3.23Å |
| 1758 | I | 85.2 | Confident | 87.7 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 55% | 0.549 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 137.5 | 169 | -60.3 | 173.6 | 0 | 0 | 0 | 108.1 | H1760 N1765 | I1758-H1760 PolarHBondContact O-CD2 3.2Å; I1758-H1760 PolarHBondContact O-N 2.99Å; I1758-N1765 HydrophobicContact CG2-CB 4.08Å; I1758-N1765 WeakPolarHBondContact CG2-ND2 3.32Å |
| 1759 | V | 87.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 119.8 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | P1749 A1762 N1765 | P1749-V1759 HydrophobicContact CB-CG1 4.24Å; P1749-V1759 HydrophobicContact CB-CG2 4.36Å; P1749-V1759 HydrophobicContact CG-CG1 4.1Å; V1759-A1762 HydrophobicContact CG1-CB 4Å; V1759-N1765 VanDerWaalsContact O-CB 3.25Å; V1759-N1765 WeakPolarHBondContact O-CB 3.12Å |
| 1760 | H | 80.4 | Confident | 87.2 | Confident | 34 Ų | 34 | 65 Ų | 65 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -89.6 | 153.4 | 177.6 | -70.3 | -88.2 | 0 | 0 | 0 | 111.3 | R1757 I1758 A1762 | R1757-H1760 VanDerWaalsContact CZ-NE2 3.3Å; R1757-H1760 PolarHBondContact NE-CD2 2.95Å; R1757-H1760 PolarHBondContact NE-NE2 2.99Å; R1757-H1760 PolarHBondContact NH2-CD2 3.26Å; R1757-H1760 PolarHBondContact NH2-NE2 3.23Å; I1758-H1760 PolarHBondContact O-CD2 3.2Å; I1758-H1760 PolarHBondContact O-N 2.99Å; H1760-A1762 PolarHBondContact O-N 3.48Å; H1760-A1762 VanDerWaalsContact O-N 3.16Å |
| 1761 | Y | 77.8 | Confident | 86.8 | Confident | 157 Ų | 157 | 73.1 Ų | 73.1 | 62% | 0.616 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 63.4 | 13.8 | 177.5 | -50.1 | -73.9 | 0 | 0 | 0 | 115.8 | S1036 V1747 N1765 | S1036-Y1761 PolarHBondContact OG-O 2.92Å; V1747-Y1761 HydrophobicContact CG1-CD2 4Å; Y1761-N1765 PolarHBondContact N-O 3.01Å |
| 1762 | A | 83.9 | Confident | 86.6 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 19% | 0.19 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -137.1 | 149.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1759 H1760 N1765 | V1759-A1762 HydrophobicContact CG1-CB 4Å; H1760-A1762 PolarHBondContact O-N 3.48Å; H1760-A1762 VanDerWaalsContact O-N 3.16Å; A1762-N1765 PolarHBondContact O-N 3.01Å |
| 1763 | G | 86.6 | Confident | 86.1 | Confident | 38 Ų | 38 | 89 Ų | 89 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | 57.8 | -134.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1197 N1765 C1766 | G1197-G1763 PolarHBondContact O-N 3.05Å; G1763-N1765 PolarHBondContact O-N 2.98Å; G1763-C1766 PolarHBondContact O-SG 3.33Å |
| 1764 | T | 90 | Very high | 85.6 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -72.6 | -13.9 | -178.6 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | E632 L636 | E632-T1764 HydrophobicContact CG-CG2 4.18Å; E632-T1764 WeakPolarHBondContact OE1-CB 3.41Å; E632-T1764 PolarHBondContact OE1-OG1 3.25Å; L636-T1764 HydrophobicContact CD1-CG2 3.68Å |
| 1765 | N | 87.1 | Confident | 83.6 | Confident | 64 Ų | 64 | 97.6 Ų | 97.6 | 34% | 0.342 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -105.3 | 23.5 | -179.8 | -59.7 | -60.8 | 0 | 0 | 0 | 112.2 | I1758 V1759 Y1761 A1762 G1763 F1767 | I1758-N1765 HydrophobicContact CG2-CB 4.08Å; I1758-N1765 WeakPolarHBondContact CG2-ND2 3.32Å; V1759-N1765 VanDerWaalsContact O-CB 3.25Å; V1759-N1765 WeakPolarHBondContact O-CB 3.12Å; Y1761-N1765 PolarHBondContact N-O 3.01Å; A1762-N1765 PolarHBondContact O-N 3.01Å; G1763-N1765 PolarHBondContact O-N 2.98Å; N1765-F1767 PolarHBondContact O-N 2.75Å |
| 1766 | C | 87.7 | Confident | 83.3 | Confident | 23 Ų | 23 | 100.9 Ų | 100.9 | 16% | 0.155 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -72.8 | -13 | 168.3 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | Y1039 G1763 | Y1039-C1766 HydrophobicContact CE2-CB 4.49Å; G1763-C1766 PolarHBondContact O-SG 3.33Å |
| 1767 | F | 89.3 | Confident | 83.1 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 42% | 0.421 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -132.6 | 165.2 | 172.4 | 60.3 | -87.8 | 0 | 0 | 0 | 110.7 | Y1039 N1765 L1769 | Y1039-F1767 WeakPolarHBondContact OH-CD1 3.19Å; N1765-F1767 PolarHBondContact O-N 2.75Å; F1767-L1769 HydrophobicContact CD2-CD2 4.25Å; F1767-L1769 HydrophobicContact CD2-CG 4.3Å; F1767-L1769 HydrophobicContact CE2-CD1 4.47Å; F1767-L1769 HydrophobicContact CE2-CD2 3.77Å; F1767-L1769 HydrophobicContact CE2-CG 3.87Å |
| 1768 | E | 85.8 | Confident | 83 | Confident | 152 Ų | 152 | 105.2 Ų | 105.2 | 71% | 0.71 | 57% | 0.568 | S | S | * | * | trans | -108.8 | 142.3 | 173.1 | -65.8 | -176.9 | 171.4 | 0 | 0 | 110.4 | ||||
| 1769 | L | 85 | Confident | 82.8 | Confident | 155 Ų | 155 | 105.1 Ų | 105.1 | 81% | 0.812 | 57% | 0.57 | S | S | * | * | trans | -95.1 | 115.9 | 175.8 | -72.9 | 171.4 | 0 | 0 | 0 | 110 | F1767 | F1767-L1769 HydrophobicContact CD2-CD2 4.25Å; F1767-L1769 HydrophobicContact CD2-CG 4.3Å; F1767-L1769 HydrophobicContact CE2-CD1 4.47Å; F1767-L1769 HydrophobicContact CE2-CD2 3.77Å; F1767-L1769 HydrophobicContact CE2-CG 3.87Å | ||
| 1770 | L | 85.8 | Confident | 82.6 | Confident | 153 Ų | 153 | 109.6 Ų | 109.6 | 80% | 0.801 | 59% | 0.593 | S | S | * | * | trans | -108.1 | 124.2 | 175.2 | -59.8 | 175.7 | 0 | 0 | 0 | 109.7 | K1772 | L1770-K1772 PolarHBondContact O-N 3.04Š| ||
| 1771 | Q | 84.2 | Confident | 82.7 | Confident | 170 Ų | 170 | 114.6 Ų | 114.6 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | trans | -76.1 | 120.7 | 172.5 | -175 | 175.4 | 4.4 | 0 | 0 | 109.3 | L1773 | Q1771-L1773 PolarHBondContact O-N 3.35Š| ||
| 1772 | K | 86.4 | Confident | 83.1 | Confident | 202 Ų | 202 | 111.6 Ų | 111.6 | 88% | 0.878 | 62% | 0.622 | S | S | * | * | trans | -67.8 | 102.8 | 170.4 | -171 | 175.6 | -177.7 | 177.7 | 0 | 108.9 | L1770 A1774 | L1770-K1772 PolarHBondContact O-N 3.04Å; K1772-A1774 PolarHBondContact O-N 3.4Å | ||
| 1773 | L | 82.2 | Confident | 83 | Confident | 131 Ų | 131 | 118.4 Ų | 118.4 | 69% | 0.686 | 66% | 0.655 | S | S | * | * | trans | -64.9 | 131.4 | 172.4 | -63 | 174.5 | 0 | 0 | 0 | 108.6 | Q1771 C1775 | Q1771-L1773 PolarHBondContact O-N 3.35Å; L1773-C1775 PolarHBondContact O-N 3.38Å; L1773-C1775 VanDerWaalsContact O-N 3.12Å | ||
| 1774 | A | 79.5 | Confident | 82.7 | Confident | 106 Ų | 106 | 125.1 Ų | 125.1 | 88% | 0.876 | 68% | 0.677 | S | S | * | * | trans | -73.3 | 100.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107 | K1772 | K1772-A1774 PolarHBondContact O-N 3.4Š| ||
| 1775 | C | 49.4 | Very low | 82 | Confident | 198 Ų | 198 | 131.8 Ų | 131.8 | 100% | 1.338 | 71% | 0.71 | S | S | * | * | trans | -68.1 | 0 | 170.8 | -69.4 | 0 | 0 | 0 | 0 | 111.3 | L1773 | L1773-C1775 PolarHBondContact O-N 3.38Å; L1773-C1775 VanDerWaalsContact O-N 3.12Å |
Retrieved 1,775 of 1,775 residues in 528 ms
(Link to these results)