| 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 | 25.4 | Very low | 34.6 | Very low | 190 Ų | 190 | 113.5 Ų | 113.5 | 94% | 0.936 | 64% | 0.641 | S | S | * | * | 0 | 131.7 | 0 | -73.4 | -173.7 | 173.3 | 0 | 0 | 108.1 | V4 | M1-V4 HydrophobicContact SD-CG2 3.93Š| |||
| 2 | P | 26.7 | Very low | 36.2 | Very low | 123 Ų | 123 | 106.9 Ų | 106.9 | 80% | 0.799 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 167.3 | 149.7 | -14.7 | 31.3 | 0 | 0 | 0 | 110.5 | V4 | P2-V4 PolarHBondContact O-N 2.65Š|
| 3 | S | 27.6 | Very low | 37.9 | Very low | 120 Ų | 120 | 107.2 Ų | 107.2 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 122.8 | -169.8 | 52.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 4 | V | 30.9 | Very low | 40.1 | Very low | 113 Ų | 113 | 101.1 Ų | 101.1 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 128.1 | 163.3 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | M1 P2 | M1-V4 HydrophobicContact SD-CG2 3.93Å; P2-V4 PolarHBondContact O-N 2.65Å |
| 5 | S | 28 | Very low | 42.6 | Very low | 75 Ų | 75 | 104.9 Ų | 104.9 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 157.4 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | T7 | S5-T7 PolarHBondContact O-N 3.15Å; S5-T7 PolarHBondContact OG-OG1 3.36Å |
| 6 | K | 32.8 | Very low | 44.9 | Very low | 222 Ų | 222 | 107.5 Ų | 107.5 | 97% | 0.965 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -65.8 | -5.7 | 178.5 | -77.6 | -176.2 | 173.5 | -180 | 0 | 114.4 | G8 | K6-G8 PolarHBondContact O-N 3.08Š|
| 7 | T | 35.8 | Very low | 47.1 | Very low | 107 Ų | 107 | 103.6 Ų | 103.6 | 66% | 0.656 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -92.7 | 70.6 | 171.4 | 55.6 | 0 | 0 | 0 | 0 | 109.5 | S5 N9 | S5-T7 PolarHBondContact O-N 3.15Å; S5-T7 PolarHBondContact OG-OG1 3.36Å; T7-N9 PolarHBondContact O-N 2.91Å |
| 8 | G | 35.4 | Very low | 49.1 | Very low | 51 Ų | 51 | 109.9 Ų | 109.9 | 53% | 0.526 | 60% | 0.598 | S | S | . | * | trans | -59.9 | 119.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K6 R10 | K6-G8 PolarHBondContact O-N 3.08Å; G8-R10 PolarHBondContact O-N 3.14Å; G8-R10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | N | 40.8 | Very low | 50.8 | Low | 93 Ų | 93 | 109.6 Ų | 109.6 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | -57.3 | 118.1 | 178.9 | -67.8 | -22.1 | 0 | 0 | 0 | 110 | T7 I11 G14 | T7-N9 PolarHBondContact O-N 2.91Å; N9-I11 VanDerWaalsContact C-N 3.32Å; N9-I11 CarbonylContact C-O 3.6Å; N9-I11 CarbonylContact O-C 3.59Å; N9-I11 PolarHBondContact O-N 3.18Å; N9-G14 PolarHBondContact ND2-O 2.67Å | ||
| 10 | R | 43.8 | Very low | 52.3 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 47% | 0.468 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -66.5 | -34.1 | -171.4 | -63.6 | -176.2 | -178.4 | 169.6 | 1.8 | 112.3 | G8 D88 W155 G156 L157 | G8-R10 PolarHBondContact O-N 3.14Å; G8-R10 VanDerWaalsContact O-N 3.14Å; R10-D88 IonicContact CZ-OD2 3.76Å; R10-D88 IonicContact NH1-OD2 3.43Å; R10-D88 PolarHBondContact NH1-OD2 2.7Å; R10-D88 IonicContact NH2-OD2 3.97Å; R10-D88 PolarHBondContact NH2-OD2 3.18Å; R10-W155 WeakPolarHBondContact CD-O 3.2Å; R10-G156 CarbonylContact C-O 3.54Å; R10-G156 CarbonylContact O-C 3.56Å; R10-L157 WeakPolarHBondContact O-CA 3Å |
| 11 | I | 53.3 | Low | 53.9 | Low | 30 Ų | 30 | 103.5 Ų | 103.5 | 15% | 0.154 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -80.7 | 121.1 | 159.8 | -61.8 | 178 | 0 | 0 | 0 | 107.8 | N9 N13 G14 G154 | N9-I11 VanDerWaalsContact C-N 3.32Å; N9-I11 CarbonylContact C-O 3.6Å; N9-I11 CarbonylContact O-C 3.59Å; N9-I11 PolarHBondContact O-N 3.18Å; I11-N13 PolarHBondContact O-N 3.23Å; I11-G14 PolarHBondContact O-N 2.66Å; I11-G154 WeakPolarHBondContact CD1-O 3.35Å |
| 12 | S | 54.2 | Low | 56.9 | Low | 35 Ų | 35 | 96.4 Ų | 96.4 | 25% | 0.245 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 121.8 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 112 | G14 N189 | S12-G14 PolarHBondContact O-N 2.81Å; S12-N189 VanDerWaalsContact CB-ND2 3.28Å; S12-N189 WeakPolarHBondContact CB-ND2 3.33Å; S12-N189 WeakPolarHBondContact OG-CB 3.05Å; S12-N189 PolarHBondContact OG-ND2 3.07Å |
| 13 | N | 57.8 | Low | 60 | Low | 111 Ų | 111 | 91.2 Ų | 91.2 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 14.3 | -173.2 | -45.5 | -27.7 | 0 | 0 | 0 | 115.3 | I11 S187 | I11-N13 PolarHBondContact O-N 3.23Å; N13-S187 PolarHBondContact ND2-O 2.99Å |
| 14 | G | 69 | Low | 63 | Low | 22 Ų | 22 | 86.5 Ų | 86.5 | 23% | 0.227 | 46% | 0.455 | C | S | . | . | trans | -66.5 | 170.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N9 I11 S12 | N9-G14 PolarHBondContact ND2-O 2.67Å; I11-G14 PolarHBondContact O-N 2.66Å; S12-G14 PolarHBondContact O-N 2.81Å | ||
| 15 | I | 77.5 | Confident | 65.9 | Low | 157 Ų | 157 | 81.8 Ų | 81.8 | 81% | 0.805 | 43% | 0.426 | S | S | * | . | trans | -119.8 | 158.1 | 164.5 | 56.6 | 172.3 | 0 | 0 | 0 | 108.2 | A17 | I15-A17 PolarHBondContact O-N 3.06Š| ||
| 16 | E | 79.4 | Confident | 69 | Low | 147 Ų | 147 | 78.2 Ų | 78.2 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 130.4 | 170.7 | -162.7 | -173.7 | 156.5 | 0 | 0 | 109.5 | H85 | E16-H85 IonicContact OE1-CD2 2.65Å; E16-H85 IonicContact OE1-CE1 3.34Å; E16-H85 IonicContact OE1-NE2 3.9Å; E16-H85 PolarHBondContact OE1-NE2 2.76Å |
| 17 | A | 83 | Confident | 71.7 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 157.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | I15 H85 | I15-A17 PolarHBondContact O-N 3.06Å; A17-H85 PolarHBondContact O-CE1 2.76Å |
| 18 | R | 82.8 | Confident | 74.3 | Confident | 216 Ų | 216 | 62.8 Ų | 62.8 | 82% | 0.815 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 140.9 | 168.3 | -70.7 | -177.1 | 179.8 | -174.7 | 0 | 108.4 | H20 S21 | R18-H20 PolarHBondContact O-N 3.33Å; R18-H20 VanDerWaalsContact O-N 3.15Å; R18-S21 WeakPolarHBondContact O-CB 3.46Å; R18-S21 PolarHBondContact O-N 2.84Å; R18-S21 PolarHBondContact O-OG 3.14Å |
| 19 | K | 81.7 | Confident | 76.9 | Confident | 105 Ų | 105 | 61.1 Ų | 61.1 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 122.8 | -177.4 | -156.5 | -173.5 | -178.4 | -173.7 | 0 | 111.2 | S21 H85 D91 | K19-S21 VanDerWaalsContact C-N 3.31Å; K19-S21 PolarHBondContact O-N 3.38Å; K19-H85 HydrophobicContact CG-CB 3.8Å; K19-D91 WeakPolarHBondContact CE-OD2 3.45Å; K19-D91 IonicContact NZ-OD2 2.75Å; K19-D91 PolarHBondContact NZ-OD2 3.17Å |
| 20 | H | 79.7 | Confident | 79.2 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19.8 | -175.3 | -38.7 | -69.2 | 0 | 0 | 0 | 116.9 | R18 H22 G83 D91 S93 F130 | R18-H20 PolarHBondContact O-N 3.33Å; R18-H20 VanDerWaalsContact O-N 3.15Å; H20-H22 PolarHBondContact O-N 3.18Å; H20-G83 PolarHBondContact CE1-O 3.42Å; H20-G83 PolarHBondContact ND1-O 3.17Å; H20-D91 IonicContact CE1-OD2 3.66Å; H20-S93 PolarHBondContact CE1-OG 2.99Å; H20-F130 HydrophobicContact CB-CD1 4.19Å; H20-F130 AromaticContact CD2-CD1 3.54Å; H20-F130 AromaticContact CD2-CE1 3.86Å; H20-F130 AromaticContact CG-CD1 3.65Å; H20-F130 AromaticContact ND1-CD1 3.97Å; H20-F130 AromaticContact NE2-CD1 3.84Å |
| 21 | S | 86.3 | Confident | 81.1 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 36% | 0.357 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -71.4 | -8.4 | 177.6 | 67.9 | 0 | 0 | 0 | 0 | 115.1 | R18 K19 | R18-S21 WeakPolarHBondContact O-CB 3.46Å; R18-S21 PolarHBondContact O-N 2.84Å; R18-S21 PolarHBondContact O-OG 3.14Å; K19-S21 VanDerWaalsContact C-N 3.31Å; K19-S21 PolarHBondContact O-N 3.38Å |
| 22 | H | 88.8 | Confident | 81.8 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -131.7 | 69.8 | 178.7 | -56.6 | -62.6 | 0 | 0 | 0 | 109.8 | H20 W24 Q25 T153 | H20-H22 PolarHBondContact O-N 3.18Å; H22-W24 HydrophobicContact CB-CZ2 4.06Å; H22-W24 AromaticContact ND1-CZ2 3.54Å; H22-W24 PolarHBondContact O-N 2.89Å; H22-Q25 HydrophobicContact CB-CB 4.39Å; H22-Q25 VanDerWaalsContact O-CB 3.24Å; H22-Q25 WeakPolarHBondContact O-CB 3.3Å; H22-Q25 PolarHBondContact O-N 3.25Å; H22-T153 HydrophobicContact CB-CG2 4.34Å |
| 23 | P | 90.8 | Very high | 82.4 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -8.1 | -168.6 | 27.6 | -37.3 | 0 | 0 | 0 | 115.2 | I131 Q132 | P23-I131 WeakPolarHBondContact O-CA 3.31Å; P23-Q132 CarbonylContact C-O 3.45Å; P23-Q132 HydrophobicContact CB-CB 3.99Å; P23-Q132 HydrophobicContact CB-CG 3.98Å; P23-Q132 HydrophobicContact CG-CB 3.87Å; P23-Q132 HydrophobicContact CG-CG 3.97Å; P23-Q132 PolarHBondContact O-N 3.25Å |
| 24 | W | 92.2 | Very high | 82.7 | Confident | 20 Ų | 20 | 62.1 Ų | 62.1 | 8% | 0.076 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -11.9 | 171.8 | 53 | 83.3 | 0 | 0 | 0 | 114.1 | H22 A26 S42 L43 Q132 I134 F170 | H22-W24 HydrophobicContact CB-CZ2 4.06Å; H22-W24 AromaticContact ND1-CZ2 3.54Å; H22-W24 PolarHBondContact O-N 2.89Å; W24-A26 PolarHBondContact O-N 2.84Å; W24-S42 WeakPolarHBondContact O-CA 3.27Å; W24-L43 PolarHBondContact O-N 3.32Å; W24-Q132 WeakPolarHBondContact CA-O 3.43Å; W24-Q132 VanDerWaalsContact CB-O 3.24Å; W24-Q132 WeakPolarHBondContact CB-O 3.25Å; W24-Q132 PolarHBondContact N-O 2.87Å; W24-I134 HydrophobicContact CB-CB 3.79Å; W24-I134 HydrophobicContact CB-CG2 4.26Å; W24-I134 HydrophobicContact CD2-CB 4.05Å; W24-I134 HydrophobicContact CD2-CD1 4.17Å; W24-I134 HydrophobicContact CD2-CG1 4.32Å; W24-I134 HydrophobicContact CG-CB 3.7Å; W24-I134 HydrophobicContact CG-CD1 4.24Å; W24-I134 HydrophobicContact CG-CG1 4.38Å; W24-I134 HydrophobicContact CG-CG2 4.36Å; W24-I134 HydrophobicContact CZ2-CD1 4.5Å; W24-F170 HydrophobicContact CH2-CB 3.77Å; W24-F170 AromaticContact CH2-CD2 3.44Å; W24-F170 HydrophobicContact CH2-CD2 3.44Å; W24-F170 VanDerWaalsContact CH2-CD2 3.44Å; W24-F170 HydrophobicContact CH2-CE2 4.13Å; W24-F170 AromaticContact CH2-CG 3.67Å; W24-F170 HydrophobicContact CH2-CG 3.67Å; W24-F170 HydrophobicContact CZ2-CB 4Å; W24-F170 HydrophobicContact CZ2-CD1 4.46Å; W24-F170 HydrophobicContact CZ2-CD2 4.11Å; W24-F170 AromaticContact CZ2-CG 3.94Å; W24-F170 HydrophobicContact CZ2-CG 3.94Å; W24-F170 HydrophobicContact CZ3-CB 4.31Å; W24-F170 HydrophobicContact CZ3-CD2 4.28Å |
| 25 | Q | 91.5 | Very high | 82.8 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 120.1 | -175.9 | -177.7 | 67.7 | 33.3 | 0 | 0 | 110.4 | H22 T153 W155 | H22-Q25 HydrophobicContact CB-CB 4.39Å; H22-Q25 VanDerWaalsContact O-CB 3.24Å; H22-Q25 WeakPolarHBondContact O-CB 3.3Å; H22-Q25 PolarHBondContact O-N 3.25Å; Q25-T153 PolarHBondContact OE1-OG1 2.93Å; Q25-W155 HydrophobicContact CB-CH2 4.49Å; Q25-W155 HydrophobicContact CG-CH2 3.43Å; Q25-W155 VanDerWaalsContact CG-CH2 3.43Å; Q25-W155 HydrophobicContact CG-CZ2 3.9Å; Q25-W155 HydrophobicContact CG-CZ3 3.83Å |
| 26 | A | 91.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 140.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W24 G40 G41 I55 V80 L82 W155 | W24-A26 PolarHBondContact O-N 2.84Å; A26-G40 CarbonylContact O-C 3.57Å; A26-G41 PolarHBondContact N-O 2.85Å; A26-G41 PolarHBondContact O-N 2.61Å; A26-I55 HydrophobicContact CB-CD1 4.08Å; A26-I55 HydrophobicContact CB-CG2 4.21Å; A26-V80 HydrophobicContact CB-CG1 3.98Å; A26-L82 HydrophobicContact CB-CD2 3.59Å; A26-W155 WeakPolarHBondContact O-CZ3 3.13Å |
| 27 | L | 90.4 | Very high | 83 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.4 | 167.6 | 174.5 | 74.2 | 0 | 0 | 0 | 108.6 | I29 K38 V80 Y81 V87 W155 | L27-I29 HydrophobicContact CD2-CD1 3.81Å; L27-I29 HydrophobicContact CD2-CG1 3.98Å; L27-I29 HydrophobicContact CG-CD1 4.33Å; L27-I29 HydrophobicContact CG-CG1 3.93Å; L27-K38 HydrophobicContact CD1-CB 4.29Å; L27-V80 CarbonylContact O-C 3.59Å; L27-V80 WeakPolarHBondContact O-CA 3.33Å; L27-Y81 HydrophobicContact CD2-CD2 4.32Å; L27-Y81 PolarHBondContact N-O 2.87Å; L27-Y81 PolarHBondContact O-N 3.36Å; L27-V87 HydrophobicContact CD1-CG1 4.27Å; L27-V87 HydrophobicContact CD1-CG2 4.17Å; L27-V87 HydrophobicContact CD2-CB 4.49Å; L27-V87 HydrophobicContact CD2-CG1 3.82Å; L27-V87 HydrophobicContact CD2-CG2 4.03Å; L27-W155 HydrophobicContact CB-CE3 4.27Å; L27-W155 HydrophobicContact CB-CH2 3.87Å; L27-W155 HydrophobicContact CB-CZ3 3.59Å; L27-W155 HydrophobicContact CD1-CE3 3.93Å; L27-W155 HydrophobicContact CD1-CZ3 4.09Å; L27-W155 HydrophobicContact CG-CZ3 4.46Å |
| 28 | V | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 123.3 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | C39 I55 T57 V78 L119 | V28-C39 HydrophobicContact CB-CB 4.16Å; V28-C39 PolarHBondContact N-O 3.35Å; V28-C39 PolarHBondContact O-N 2.88Å; V28-I55 HydrophobicContact CG2-CG2 4.28Å; V28-T57 HydrophobicContact CG2-CG2 4.44Å; V28-V78 HydrophobicContact CG1-CG1 3.88Å; V28-L119 HydrophobicContact CG1-CD1 3.81Å; V28-L119 HydrophobicContact CG2-CD1 3.98Å |
| 29 | I | 89.3 | Confident | 83.3 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.2 | 176.8 | -54.8 | -166.7 | 0 | 0 | 0 | 109.1 | L27 I36 K37 V78 H79 Y81 | L27-I29 HydrophobicContact CD2-CD1 3.81Å; L27-I29 HydrophobicContact CD2-CG1 3.98Å; L27-I29 HydrophobicContact CG-CD1 4.33Å; L27-I29 HydrophobicContact CG-CG1 3.93Å; I29-I36 HydrophobicContact CG2-CG2 3.45Å; I29-I36 VanDerWaalsContact CG2-CG2 3.45Å; I29-K37 WeakPolarHBondContact CA-O 2.99Å; I29-V78 CarbonylContact O-C 3.53Å; I29-V78 WeakPolarHBondContact O-CA 3.42Å; I29-H79 PolarHBondContact N-O 3.33Å; I29-H79 PolarHBondContact O-N 3.15Å; I29-Y81 HydrophobicContact CD1-CD2 3.91Å; I29-Y81 HydrophobicContact CD1-CE2 3.59Å; I29-Y81 HydrophobicContact CG1-CD2 4.23Å; I29-Y81 HydrophobicContact CG1-CE2 4.22Å |
| 30 | T | 88.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.9 | 177.5 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | E32 K37 C61 A73 V78 | T30-E32 HydrophobicContact CG2-CG 3.9Å; T30-K37 PolarHBondContact N-O 2.8Å; T30-K37 PolarHBondContact O-N 3.19Å; T30-C61 WeakPolarHBondContact CB-O 3.35Å; T30-C61 PolarHBondContact OG1-O 3.4Å; T30-A73 HydrophobicContact CG2-CB 3.59Å; T30-V78 HydrophobicContact CG2-CG2 4.09Å |
| 31 | H | 84 | Confident | 84.1 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 102.5 | 179.1 | -67.3 | -97.3 | 0 | 0 | 0 | 110.6 | D77 H79 | H31-D77 PolarHBondContact CD2-O 3.19Å; H31-D77 PolarHBondContact N-O 2.67Å; H31-H79 AromaticContact CD2-ND1 3.98Å |
| 32 | E | 69.2 | Low | 84.4 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 97.9 | -176.5 | -66.4 | -175.5 | -179.7 | 0 | 0 | 111.1 | T30 G34 A35 K37 D65 | T30-E32 HydrophobicContact CG2-CG 3.9Å; E32-G34 PolarHBondContact O-N 3.03Å; E32-A35 PolarHBondContact N-O 3.37Å; E32-A35 WeakPolarHBondContact O-CA 3.32Å; E32-A35 PolarHBondContact O-N 3.06Å; E32-K37 WeakPolarHBondContact OE1-CD 3.5Å; E32-K37 WeakPolarHBondContact OE1-CE 3.39Å; E32-K37 IonicContact OE1-NZ 2.61Å; E32-K37 PolarHBondContact OE1-NZ 3.32Å; E32-K37 WeakPolarHBondContact OE2-CE 3.36Å; E32-K37 IonicContact OE2-NZ 3.51Å; E32-K37 PolarHBondContact OE2-NZ 3.02Å; E32-D65 PolarHBondContact OE2-N 3.14Å |
| 33 | R | 65.5 | Low | 84.7 | Confident | 214 Ų | 214 | 39.4 Ų | 39.4 | 81% | 0.808 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 38.9 | 167.5 | -61.7 | -175.7 | -179.8 | -174.8 | 2 | 116.2 | ||
| 34 | G | 64.5 | Low | 84.7 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 91% | 0.907 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | -12.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | E32 | E32-G34 PolarHBondContact O-N 3.03Š|
| 35 | A | 71.5 | Confident | 84.4 | Confident | 50 Ų | 50 | 41 Ų | 41 | 41% | 0.413 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 151.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111 | E32 | E32-A35 PolarHBondContact N-O 3.37Å; E32-A35 WeakPolarHBondContact O-CA 3.32Å; E32-A35 PolarHBondContact O-N 3.06Å |
| 36 | I | 76.6 | Confident | 83.7 | Confident | 102 Ų | 102 | 45 Ų | 45 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 111.1 | 173.2 | -59.1 | 174.9 | 0 | 0 | 0 | 107.4 | I29 K38 | I29-I36 HydrophobicContact CG2-CG2 3.45Å; I29-I36 VanDerWaalsContact CG2-CG2 3.45Å; I36-K38 HydrophobicContact CG2-CG 4.47Å |
| 37 | K | 83.7 | Confident | 82.8 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.3 | 169.6 | -77.9 | -178.2 | -179.5 | 166.1 | 0 | 109.1 | I29 T30 E32 H60 I63 D65 | I29-K37 WeakPolarHBondContact CA-O 2.99Å; T30-K37 PolarHBondContact N-O 2.8Å; T30-K37 PolarHBondContact O-N 3.19Å; E32-K37 WeakPolarHBondContact OE1-CD 3.5Å; E32-K37 WeakPolarHBondContact OE1-CE 3.39Å; E32-K37 IonicContact OE1-NZ 2.61Å; E32-K37 PolarHBondContact OE1-NZ 3.32Å; E32-K37 WeakPolarHBondContact OE2-CE 3.36Å; E32-K37 IonicContact OE2-NZ 3.51Å; E32-K37 PolarHBondContact OE2-NZ 3.02Å; K37-H60 PolarHBondContact NZ-O 3.23Å; K37-H60 VanDerWaalsContact NZ-O 3.09Å; K37-I63 PolarHBondContact NZ-O 3.15Å; K37-D65 WeakPolarHBondContact CE-OD2 3.32Å; K37-D65 IonicContact NZ-OD2 3.71Å; K37-D65 PolarHBondContact NZ-OD2 2.97Å; K37-D65 VanDerWaalsContact NZ-OD2 3.17Å |
| 38 | K | 84.2 | Confident | 81.9 | Confident | 112 Ų | 112 | 57.2 Ų | 57.2 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 117.2 | 170.9 | -66.9 | -173.5 | 179.9 | -172.3 | 0 | 108.7 | L27 I36 V87 D88 | L27-K38 HydrophobicContact CD1-CB 4.29Å; I36-K38 HydrophobicContact CG2-CG 4.47Å; K38-V87 HydrophobicContact CD-CG1 3.89Å; K38-D88 IonicContact NZ-OD1 3.21Å |
| 39 | C | 87.1 | Confident | 81.3 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 14% | 0.142 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 161.4 | -176.9 | -91.7 | 0 | 0 | 0 | 0 | 112.7 | V28 C61 | V28-C39 HydrophobicContact CB-CB 4.16Å; V28-C39 PolarHBondContact N-O 3.35Å; V28-C39 PolarHBondContact O-N 2.88Å; C39-C61 HydrophobicContact CB-CB 3.53Å; C39-C61 WeakPolarHBondContact CB-SG 3.42Å; C39-C61 WeakPolarHBondContact SG-CB 3.02Å; C39-C61 CovalentContact SG-SG 2.03Å; C39-C61 PolarHBondContact SG-SG 3.37Å |
| 40 | G | 87.3 | Confident | 81.1 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 147.3 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | A26 T57 | A26-G40 CarbonylContact O-C 3.57Å; G40-T57 PolarHBondContact O-OG1 2.57Å |
| 41 | G | 91.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | -179.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | A26 L56 | A26-G41 PolarHBondContact N-O 2.85Å; A26-G41 PolarHBondContact O-N 2.61Å; G41-L56 CarbonylContact C-O 3.6Å; G41-L56 WeakPolarHBondContact CA-O 3.26Å |
| 42 | S | 93.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.1 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | W24 I44 I55 L56 P161 | W24-S42 WeakPolarHBondContact O-CA 3.27Å; S42-I44 PolarHBondContact O-N 3.22Å; S42-I55 CarbonylContact O-C 3.55Å; S42-I55 WeakPolarHBondContact O-CA 3.34Å; S42-L56 PolarHBondContact N-O 2.91Å; S42-L56 PolarHBondContact O-N 3.02Å; S42-P161 WeakPolarHBondContact OG-CB 3.44Å; S42-P161 VanDerWaalsContact OG-CG 3.29Å; S42-P161 WeakPolarHBondContact OG-CG 3.21Å |
| 43 | L | 94.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 118.7 | 164.8 | -175 | 69.9 | 0 | 0 | 0 | 108.2 | W24 I55 L82 L121 Y127 I131 G133 I134 | W24-L43 PolarHBondContact O-N 3.32Å; L43-I55 HydrophobicContact CB-CD1 4.02Å; L43-I55 HydrophobicContact CD1-CD1 3.73Å; L43-L82 HydrophobicContact CB-CD2 4.26Å; L43-L82 HydrophobicContact CD1-CD1 4.34Å; L43-L82 HydrophobicContact CD2-CD1 4.27Å; L43-L121 HydrophobicContact CD1-CD1 4.47Å; L43-Y127 HydrophobicContact CD2-CD1 4.26Å; L43-Y127 HydrophobicContact CD2-CE1 4Å; L43-I131 HydrophobicContact CD2-CG2 3.71Å; L43-G133 CarbonylContact O-C 3.52Å; L43-G133 VanDerWaalsContact O-CA 3.3Å; L43-G133 WeakPolarHBondContact O-CA 3.13Å; L43-I134 PolarHBondContact O-N 3.44Å |
| 44 | I | 91.7 | Very high | 83.7 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.7 | -176.1 | 57.4 | 170.6 | 0 | 0 | 0 | 111.6 | S42 W46 S52 L54 L56 I134 L136 L172 | S42-I44 PolarHBondContact O-N 3.22Å; I44-W46 HydrophobicContact CD1-CB 4.36Å; I44-S52 VanDerWaalsContact O-CB 3.25Å; I44-S52 WeakPolarHBondContact O-CB 3.29Å; I44-S52 PolarHBondContact O-OG 2.81Å; I44-L54 HydrophobicContact CD1-CB 3.85Å; I44-L54 HydrophobicContact CD1-CD1 4.15Å; I44-L54 HydrophobicContact CG1-CB 3.62Å; I44-L54 WeakPolarHBondContact CG1-O 3.46Å; I44-L54 PolarHBondContact N-O 3.01Å; I44-L56 HydrophobicContact CG2-CB 3.76Å; I44-L56 HydrophobicContact CG2-CD2 4.46Å; I44-I134 HydrophobicContact CG2-CG2 4.38Å; I44-L136 HydrophobicContact CB-CD2 4.46Å; I44-L136 HydrophobicContact CD1-CD1 4.3Å; I44-L136 HydrophobicContact CG2-CD2 4.05Å; I44-L172 HydrophobicContact CG2-CD2 4.11Å |
| 45 | H | 86.2 | Confident | 85.1 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 103.7 | 167.8 | -171 | 115.2 | 0 | 0 | 0 | 107.9 | K47 G49 Y127 I134 | H45-K47 PolarHBondContact NE2-O 2.86Å; H45-G49 PolarHBondContact CE1-O 2.92Å; H45-Y127 AromaticContact CE1-CE2 3.79Å; H45-Y127 AromaticContact ND1-CE2 3.27Å; H45-Y127 VanDerWaalsContact ND1-CE2 3.27Å; H45-Y127 WeakPolarHBondContact ND1-CE2 3.3Å; H45-Y127 AromaticContact ND1-CZ 3.59Å; H45-Y127 PolarHBondContact ND1-OH 2.81Å; H45-I134 PolarHBondContact N-O 3Å |
| 46 | W | 76 | Confident | 86.1 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | trans | -117.6 | -23.3 | -169.1 | 74 | -91.9 | 0 | 0 | 0 | 114.7 | I44 D53 L54 | I44-W46 HydrophobicContact CD1-CB 4.36Å; W46-D53 PolarHBondContact NE1-OD1 2.94Å; W46-L54 HydrophobicContact CD2-CD1 4.02Å; W46-L54 HydrophobicContact CG-CD1 3.88Å; W46-L54 HydrophobicContact CZ2-CD1 4.48Å | ||
| 47 | K | 73 | Confident | 86.8 | Confident | 67 Ų | 67 | 40.7 Ų | 40.7 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -125.8 | 158.7 | 177 | 62.4 | 175.7 | -178.1 | 179.1 | 0 | 109.5 | H45 G49 E124 | H45-K47 PolarHBondContact NE2-O 2.86Å; K47-G49 PolarHBondContact O-N 2.81Å; K47-E124 WeakPolarHBondContact CE-OE1 3.41Å; K47-E124 IonicContact NZ-OE1 3.18Å; K47-E124 PolarHBondContact NZ-OE1 3.03Å; K47-E124 IonicContact NZ-OE2 2.82Å; K47-E124 PolarHBondContact NZ-OE2 3.38Å |
| 48 | E | 71.4 | Confident | 87.1 | Confident | 193 Ų | 193 | 39 Ų | 39 | 90% | 0.902 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -60.5 | 133.9 | 168.9 | -66.3 | -169.8 | 163.5 | 0 | 0 | 110.6 | ||
| 49 | G | 78.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 33.7 Ų | 33.7 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 142.8 | 172 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H45 K47 | H45-G49 PolarHBondContact CE1-O 2.92Å; K47-G49 PolarHBondContact O-N 2.81Å |
| 50 | N | 85.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 34 Ų | 34 | 71% | 0.711 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -100.1 | 32.7 | 178.9 | -74.3 | -22.7 | 0 | 0 | 0 | 112.5 | A126 Y127 | N50-A126 WeakPolarHBondContact O-CA 3.37Å; N50-Y127 VanDerWaalsContact C-CE2 3.45Å; N50-Y127 VanDerWaalsContact CA-CD2 3.49Å; N50-Y127 HydrophobicContact CB-CD2 4.33Å; N50-Y127 WeakPolarHBondContact O-CD2 3.48Å; N50-Y127 PolarHBondContact O-N 2.96Å |
| 51 | S | 88 | Confident | 87.2 | Confident | 29 Ų | 29 | 33.1 Ų | 33.1 | 20% | 0.203 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 158.7 | -177.1 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | E124 I125 Y127 | S51-E124 VanDerWaalsContact CB-OE1 3.26Å; S51-E124 WeakPolarHBondContact CB-OE1 3.37Å; S51-E124 VanDerWaalsContact OG-CD 3.29Å; S51-E124 PolarHBondContact OG-OE1 2.82Å; S51-I125 CarbonylContact C-O 3.57Å; S51-I125 WeakPolarHBondContact CA-O 3.47Å; S51-I125 VanDerWaalsContact CB-O 3.29Å; S51-I125 WeakPolarHBondContact CB-O 3.31Å; S51-Y127 VanDerWaalsContact N-CE2 3.34Å; S51-Y127 PolarHBondContact O-OH 3.45Å |
| 52 | S | 91.7 | Very high | 87 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 147.7 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 112 | I44 L54 I125 Y127 | I44-S52 VanDerWaalsContact O-CB 3.25Å; I44-S52 WeakPolarHBondContact O-CB 3.29Å; I44-S52 PolarHBondContact O-OG 2.81Å; S52-L54 PolarHBondContact OG-N 2.94Å; S52-I125 PolarHBondContact N-O 2.73Å; S52-I125 PolarHBondContact O-N 3.49Å; S52-Y127 WeakPolarHBondContact CB-OH 3.13Å |
| 53 | D | 90.6 | Very high | 86.4 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 7.3 | 173.2 | 63 | -28.4 | 0 | 0 | 0 | 112.8 | W46 R120 L121 E124 | W46-D53 PolarHBondContact NE1-OD1 2.94Å; D53-R120 CarbonylContact O-C 3.48Å; D53-R120 WeakPolarHBondContact O-CA 3.39Å; D53-R120 IonicContact OD2-CZ 2.84Å; D53-R120 IonicContact OD2-NE 3.68Å; D53-R120 PolarHBondContact OD2-NE 2.88Å; D53-R120 IonicContact OD2-NH2 3.9Å; D53-R120 PolarHBondContact OD2-NH2 3.49Å; D53-L121 WeakPolarHBondContact O-CG 2.98Å; D53-L121 PolarHBondContact O-N 2.96Å; D53-E124 HydrophobicContact CB-CB 4.24Å |
| 54 | L | 92.3 | Very high | 85.3 | Confident | 26 Ų | 26 | 34.5 Ų | 34.5 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.8 | -173.3 | -60.6 | -172.4 | 0 | 0 | 0 | 113.7 | I44 W46 S52 I118 R120 | I44-L54 HydrophobicContact CD1-CB 3.85Å; I44-L54 HydrophobicContact CD1-CD1 4.15Å; I44-L54 HydrophobicContact CG1-CB 3.62Å; I44-L54 WeakPolarHBondContact CG1-O 3.46Å; I44-L54 PolarHBondContact N-O 3.01Å; W46-L54 HydrophobicContact CD2-CD1 4.02Å; W46-L54 HydrophobicContact CG-CD1 3.88Å; W46-L54 HydrophobicContact CZ2-CD1 4.48Å; S52-L54 PolarHBondContact OG-N 2.94Å; L54-I118 HydrophobicContact CB-CG2 4.33Å; L54-I118 HydrophobicContact CD1-CG2 4.39Å; L54-I118 HydrophobicContact CD2-CG2 4.03Å; L54-I118 HydrophobicContact CG-CG2 4.49Å; L54-R120 HydrophobicContact CD2-CB 4.07Å; L54-R120 HydrophobicContact CD2-CG 4Å |
| 55 | I | 93.6 | Very high | 84 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.2 | 170.6 | -54.9 | -62.8 | 0 | 0 | 0 | 109.8 | A26 V28 S42 L43 V80 L82 I118 L119 L121 | A26-I55 HydrophobicContact CB-CD1 4.08Å; A26-I55 HydrophobicContact CB-CG2 4.21Å; V28-I55 HydrophobicContact CG2-CG2 4.28Å; S42-I55 CarbonylContact O-C 3.55Å; S42-I55 WeakPolarHBondContact O-CA 3.34Å; L43-I55 HydrophobicContact CB-CD1 4.02Å; L43-I55 HydrophobicContact CD1-CD1 3.73Å; I55-V80 HydrophobicContact CD1-CG1 4.01Å; I55-V80 HydrophobicContact CG1-CG1 3.99Å; I55-V80 HydrophobicContact CG1-CG2 4.18Å; I55-L82 HydrophobicContact CD1-CD2 4.04Å; I55-I118 CarbonylContact O-C 3.47Å; I55-I118 VanDerWaalsContact O-CA 3.31Å; I55-I118 WeakPolarHBondContact O-CA 3.32Å; I55-L119 HydrophobicContact CB-CB 4.16Å; I55-L119 HydrophobicContact CB-CD1 4.45Å; I55-L119 HydrophobicContact CB-CG 4.4Å; I55-L119 HydrophobicContact CG2-CD1 4.35Å; I55-L119 PolarHBondContact N-O 2.87Å; I55-L119 PolarHBondContact O-N 3.05Å; I55-L121 HydrophobicContact CD1-CD1 4.23Å; I55-L121 HydrophobicContact CG1-CD1 4.21Å; I55-L121 HydrophobicContact CG1-CD2 3.89Å; I55-L121 HydrophobicContact CG1-CG 4.14Å |
| 56 | L | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.3 | 169.4 | -161.1 | 67.2 | 0 | 0 | 0 | 110.7 | G41 S42 I44 L116 I118 L172 I175 I196 L203 | G41-L56 CarbonylContact C-O 3.6Å; G41-L56 WeakPolarHBondContact CA-O 3.26Å; S42-L56 PolarHBondContact N-O 2.91Å; S42-L56 PolarHBondContact O-N 3.02Å; I44-L56 HydrophobicContact CG2-CB 3.76Å; I44-L56 HydrophobicContact CG2-CD2 4.46Å; L56-L116 HydrophobicContact CD1-CD1 3.92Å; L56-L116 HydrophobicContact CD1-CD2 4.4Å; L56-L116 HydrophobicContact CD1-CG 4.08Å; L56-L116 HydrophobicContact CD2-CD1 4.23Å; L56-L116 HydrophobicContact CG-CD1 3.97Å; L56-I118 HydrophobicContact CD1-CG1 3.89Å; L56-L172 HydrophobicContact CB-CD2 4.49Å; L56-L172 HydrophobicContact CD2-CD2 3.75Å; L56-I175 HydrophobicContact CD2-CD1 4.47Å; L56-I175 HydrophobicContact CD2-CG1 4.07Å; L56-I175 HydrophobicContact CG-CD1 4.42Å; L56-I175 HydrophobicContact CG-CG1 4.16Å; L56-I196 HydrophobicContact CD2-CD1 3.65Å; L56-I196 HydrophobicContact CD2-CG1 4.2Å; L56-L203 HydrophobicContact CD1-CD2 3.62Å |
| 57 | T | 91.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | -178.9 | -179.9 | -169.4 | 0 | 0 | 0 | 0 | 110.8 | V28 G40 A117 L119 | V28-T57 HydrophobicContact CG2-CG2 4.44Å; G40-T57 PolarHBondContact O-OG1 2.57Å; T57-A117 HydrophobicContact CG2-CB 4.16Å; T57-A117 PolarHBondContact N-O 2.99Å; T57-A117 PolarHBondContact O-N 2.9Å; T57-L119 HydrophobicContact CG2-CD1 4.04Å; T57-L119 HydrophobicContact CG2-CD2 4.15Å; T57-L119 HydrophobicContact CG2-CG 4.03Å |
| 58 | A | 89 | Confident | 80.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | trans | -83.6 | 147.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H60 C61 D115 I175 V176 | A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 VanDerWaalsContact CB-CE1 3.42Å; A58-H60 WeakPolarHBondContact CB-CE1 3.5Å; A58-H60 PolarHBondContact O-N 2.85Å; A58-C61 VanDerWaalsContact O-CB 3.31Å; A58-C61 WeakPolarHBondContact O-CB 3.39Å; A58-C61 PolarHBondContact O-N 3.31Å; A58-D115 WeakPolarHBondContact CA-O 3.22Å; A58-I175 HydrophobicContact CB-CG2 3.98Å; A58-V176 WeakPolarHBondContact CB-O 3.33Å | ||
| 59 | A | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -67.7 | -34.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C61 V62 I63 A104 F107 D115 A117 | A59-C61 PolarHBondContact O-N 3.06Å; A59-C61 VanDerWaalsContact O-N 3.07Å; A59-V62 WeakPolarHBondContact O-CG2 3.24Å; A59-V62 PolarHBondContact O-N 2.74Å; A59-I63 HydrophobicContact CB-CD1 3.91Å; A59-I63 WeakPolarHBondContact O-CG1 3.45Å; A59-I63 PolarHBondContact O-N 3.37Å; A59-A104 HydrophobicContact CB-CB 4.16Å; A59-F107 HydrophobicContact CB-CB 3.7Å; A59-F107 HydrophobicContact CB-CG 4.24Å; A59-D115 PolarHBondContact N-O 2.81Å; A59-D115 PolarHBondContact N-OD1 3.25Å; A59-A117 HydrophobicContact CB-CB 4.49Å |
| 60 | H | 86.2 | Confident | 78.9 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61 | -17.4 | 176.5 | 71.7 | -102.6 | 0 | 0 | 0 | 114.2 | K37 A58 V62 F107 D115 S177 | K37-H60 PolarHBondContact NZ-O 3.23Å; K37-H60 VanDerWaalsContact NZ-O 3.09Å; A58-H60 VanDerWaalsContact C-N 3.34Å; A58-H60 VanDerWaalsContact CB-CE1 3.42Å; A58-H60 WeakPolarHBondContact CB-CE1 3.5Å; A58-H60 PolarHBondContact O-N 2.85Å; H60-V62 VanDerWaalsContact C-N 3.33Å; H60-F107 HydrophobicContact CB-CD1 4.19Å; H60-F107 HydrophobicContact CB-CE1 3.61Å; H60-F107 HydrophobicContact CB-CZ 3.87Å; H60-D115 IonicContact CE1-OD2 3.61Å; H60-D115 IonicContact CG-OD1 2.76Å; H60-D115 IonicContact CG-OD2 2.76Å; H60-D115 PolarHBondContact N-OD1 3.03Å; H60-D115 VanDerWaalsContact ND1-CG 3.32Å; H60-D115 IonicContact ND1-OD1 3.18Å; H60-D115 PolarHBondContact ND1-OD1 3.19Å; H60-D115 IonicContact ND1-OD2 3.06Å; H60-D115 PolarHBondContact ND1-OD2 3Å; H60-S177 PolarHBondContact CE1-O 3.3Å |
| 61 | C | 87 | Confident | 78.2 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -75.5 | -19.2 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | T30 C39 A58 A59 | T30-C61 WeakPolarHBondContact CB-O 3.35Å; T30-C61 PolarHBondContact OG1-O 3.4Å; C39-C61 HydrophobicContact CB-CB 3.53Å; C39-C61 WeakPolarHBondContact CB-SG 3.42Å; C39-C61 WeakPolarHBondContact SG-CB 3.02Å; C39-C61 CovalentContact SG-SG 2.03Å; C39-C61 PolarHBondContact SG-SG 3.37Å; A58-C61 VanDerWaalsContact O-CB 3.31Å; A58-C61 WeakPolarHBondContact O-CB 3.39Å; A58-C61 PolarHBondContact O-N 3.31Å; A59-C61 PolarHBondContact O-N 3.06Å; A59-C61 VanDerWaalsContact O-N 3.07Å |
| 62 | V | 86.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -126.3 | 13.3 | -177.4 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | A59 H60 L72 A73 V78 I102 A117 L119 | A59-V62 WeakPolarHBondContact O-CG2 3.24Å; A59-V62 PolarHBondContact O-N 2.74Å; H60-V62 VanDerWaalsContact C-N 3.33Å; V62-L72 HydrophobicContact CG2-CD2 4.03Å; V62-L72 CarbonylContact O-C 3.56Å; V62-L72 WeakPolarHBondContact O-CA 3.02Å; V62-A73 PolarHBondContact O-N 2.82Å; V62-V78 HydrophobicContact CG1-CG1 4.32Å; V62-V78 HydrophobicContact CG1-CG2 4.27Å; V62-I102 HydrophobicContact CB-CG2 4.32Å; V62-I102 HydrophobicContact CG2-CG2 3.95Å; V62-A117 HydrophobicContact CG2-CB 3.9Å; V62-L119 HydrophobicContact CG1-CD2 3.85Å |
| 63 | I | 81.2 | Confident | 77.2 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -117.9 | 128.4 | 178 | -71.2 | 171.2 | 0 | 0 | 0 | 109.4 | K37 A59 D65 L72 F107 | K37-I63 PolarHBondContact NZ-O 3.15Å; A59-I63 HydrophobicContact CB-CD1 3.91Å; A59-I63 WeakPolarHBondContact O-CG1 3.45Å; A59-I63 PolarHBondContact O-N 3.37Å; I63-D65 PolarHBondContact O-N 3Å; I63-L72 HydrophobicContact CD1-CD2 4.33Å; I63-L72 HydrophobicContact CG1-CD2 3.65Å; I63-F107 HydrophobicContact CD1-CB 3.74Å; I63-F107 HydrophobicContact CD1-CD1 4.26Å; I63-F107 HydrophobicContact CD1-CG 4.46Å |
| 64 | D | 71.5 | Confident | 76.8 | Confident | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | trans | -52.4 | 124.4 | 179.6 | -178.2 | -28.2 | 0 | 0 | 0 | 111.5 | H66 P71 K109 | D64-H66 VanDerWaalsContact C-N 3.33Å; D64-H66 PolarHBondContact O-N 2.8Å; D64-H66 WeakPolarHBondContact OD1-CB 3.24Å; D64-H66 IonicContact OD1-CD2 2.67Å; D64-H66 PolarHBondContact OD1-CD2 2.94Å; D64-H66 IonicContact OD1-CG 3.06Å; D64-H66 PolarHBondContact OD1-N 3.26Å; D64-P71 HydrophobicContact CB-CG 4.36Å; D64-P71 PolarHBondContact N-O 3.41Å; D64-K109 PolarHBondContact O-NZ 3.49Å; D64-K109 VanDerWaalsContact O-NZ 3.14Å | ||
| 65 | D | 64 | Low | 76.6 | Confident | 82 Ų | 82 | 46.9 Ų | 46.9 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.1 | -173.8 | -119 | -37.6 | 0 | 0 | 0 | 115.3 | E32 K37 I63 Q67 K109 | E32-D65 PolarHBondContact OE2-N 3.14Å; K37-D65 WeakPolarHBondContact CE-OD2 3.32Å; K37-D65 IonicContact NZ-OD2 3.71Å; K37-D65 PolarHBondContact NZ-OD2 2.97Å; K37-D65 VanDerWaalsContact NZ-OD2 3.17Å; I63-D65 PolarHBondContact O-N 3Å; D65-Q67 VanDerWaalsContact C-N 3.32Å; D65-Q67 PolarHBondContact O-N 3.31Å; D65-K109 PolarHBondContact O-NZ 3.06Å; D65-K109 WeakPolarHBondContact OD1-CE 3.45Å; D65-K109 IonicContact OD1-NZ 3.5Å; D65-K109 PolarHBondContact OD1-NZ 2.86Å |
| 66 | H | 60.3 | Low | 76.3 | Confident | 150 Ų | 150 | 50.5 Ų | 50.5 | 69% | 0.694 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -13.1 | -172.9 | -65.6 | -74.5 | 0 | 0 | 0 | 114.3 | D64 | D64-H66 VanDerWaalsContact C-N 3.33Å; D64-H66 PolarHBondContact O-N 2.8Å; D64-H66 WeakPolarHBondContact OD1-CB 3.24Å; D64-H66 IonicContact OD1-CD2 2.67Å; D64-H66 PolarHBondContact OD1-CD2 2.94Å; D64-H66 IonicContact OD1-CG 3.06Å; D64-H66 PolarHBondContact OD1-N 3.26Å |
| 67 | Q | 54 | Low | 76.1 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -118.8 | 149.4 | 179 | -62 | -169.4 | -2.2 | 0 | 0 | 112.4 | D65 N69 G70 K109 | D65-Q67 VanDerWaalsContact C-N 3.32Å; D65-Q67 PolarHBondContact O-N 3.31Å; Q67-N69 PolarHBondContact O-N 2.99Å; Q67-G70 PolarHBondContact O-N 2.94Å; Q67-K109 PolarHBondContact O-NZ 3.43Å |
| 68 | K | 47.7 | Very low | 76.2 | Confident | 168 Ų | 168 | 53.1 Ų | 53.1 | 73% | 0.73 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 112.3 | 163.8 | -86 | -178.9 | 172.2 | 176.2 | 0 | 107.2 | ||
| 69 | N | 54.5 | Low | 76.3 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 56.3 | -171 | -48.9 | 5.3 | 0 | 0 | 0 | 111.2 | Q67 | Q67-N69 PolarHBondContact O-N 2.99Š|
| 70 | G | 61.6 | Low | 76.6 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 160.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q67 | Q67-G70 PolarHBondContact O-N 2.94Š|
| 71 | P | 71.1 | Confident | 76.9 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 154.6 | 174 | 28.2 | -35.5 | 0 | 0 | 0 | 110.9 | D64 | D64-P71 HydrophobicContact CB-CG 4.36Å; D64-P71 PolarHBondContact N-O 3.41Å |
| 72 | L | 76.3 | Confident | 77.1 | Confident | 58 Ų | 58 | 55.1 Ų | 55.1 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 141.1 | 164.7 | -70.6 | 167.3 | 0 | 0 | 0 | 109.4 | V62 I63 I102 A104 | V62-L72 HydrophobicContact CG2-CD2 4.03Å; V62-L72 CarbonylContact O-C 3.56Å; V62-L72 WeakPolarHBondContact O-CA 3.02Å; I63-L72 HydrophobicContact CD1-CD2 4.33Å; I63-L72 HydrophobicContact CG1-CD2 3.65Å; L72-I102 HydrophobicContact CD1-CG2 4.44Å; L72-I102 HydrophobicContact CD2-CG2 4.09Å; L72-A104 HydrophobicContact CD1-CB 4.5Å; L72-A104 HydrophobicContact CD2-CB 3.62Å |
| 73 | A | 82 | Confident | 77.1 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 13% | 0.132 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -54 | 147.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T30 V62 V78 I102 | T30-A73 HydrophobicContact CG2-CB 3.59Å; V62-A73 PolarHBondContact O-N 2.82Å; A73-V78 HydrophobicContact CB-CG2 3.69Å; A73-I102 WeakPolarHBondContact O-CD1 3.3Å |
| 74 | K | 83.6 | Confident | 77.3 | Confident | 139 Ų | 139 | 55.5 Ų | 55.5 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 147.4 | 172.8 | -57.7 | 177.5 | -179.4 | 178 | 0 | 108.3 | S76 D77 | K74-S76 WeakPolarHBondContact CB-OG 3.43Å; K74-S76 PolarHBondContact O-N 2.7Å; K74-S76 VanDerWaalsContact O-N 3.15Å; K74-D77 HydrophobicContact CB-CB 4.49Å; K74-D77 WeakPolarHBondContact CB-OD2 3.25Å; K74-D77 WeakPolarHBondContact O-CA 3.48Å; K74-D77 WeakPolarHBondContact O-CB 3.45Å; K74-D77 PolarHBondContact O-N 2.9Å |
| 75 | P | 86.5 | Confident | 77.9 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 29% | 0.286 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -54 | -35.3 | 175.7 | -25.6 | 34.3 | 0 | 0 | 0 | 113.1 | D77 V78 V99 K100 I102 | P75-D77 PolarHBondContact O-N 3.18Å; P75-V78 PolarHBondContact O-N 3.45Å; P75-V78 VanDerWaalsContact O-O 3.12Å; P75-V99 CarbonylContact C-O 3.13Å; P75-V99 HydrophobicContact CB-CB 4.43Å; P75-V99 HydrophobicContact CB-CG1 4.28Å; P75-V99 WeakPolarHBondContact CB-O 3.33Å; P75-K100 WeakPolarHBondContact CB-O 3.27Å; P75-K100 WeakPolarHBondContact CG-O 3.44Å; P75-I102 HydrophobicContact CG-CD1 4.38Å; P75-I102 HydrophobicContact CG-CG1 4.39Å |
| 76 | S | 87.5 | Confident | 78.7 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -59.6 | -25.2 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 115.6 | K74 H79 | K74-S76 WeakPolarHBondContact CB-OG 3.43Å; K74-S76 PolarHBondContact O-N 2.7Å; K74-S76 VanDerWaalsContact O-N 3.15Å; S76-H79 PolarHBondContact O-CE1 2.75Å |
| 77 | D | 89.4 | Confident | 79.4 | Confident | 56 Ų | 56 | 49.2 Ų | 49.2 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -93.9 | -3.5 | -175.2 | -51.2 | -18.2 | 0 | 0 | 0 | 110.9 | H31 K74 P75 | H31-D77 PolarHBondContact CD2-O 3.19Å; H31-D77 PolarHBondContact N-O 2.67Å; K74-D77 HydrophobicContact CB-CB 4.49Å; K74-D77 WeakPolarHBondContact CB-OD2 3.25Å; K74-D77 WeakPolarHBondContact O-CA 3.48Å; K74-D77 WeakPolarHBondContact O-CB 3.45Å; K74-D77 PolarHBondContact O-N 2.9Å; P75-D77 PolarHBondContact O-N 3.18Å |
| 78 | V | 92.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127 | -178.5 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | V28 I29 T30 V62 A73 P75 V99 I102 L119 | V28-V78 HydrophobicContact CG1-CG1 3.88Å; I29-V78 CarbonylContact O-C 3.53Å; I29-V78 WeakPolarHBondContact O-CA 3.42Å; T30-V78 HydrophobicContact CG2-CG2 4.09Å; V62-V78 HydrophobicContact CG1-CG1 4.32Å; V62-V78 HydrophobicContact CG1-CG2 4.27Å; A73-V78 HydrophobicContact CB-CG2 3.69Å; P75-V78 PolarHBondContact O-N 3.45Å; P75-V78 VanDerWaalsContact O-O 3.12Å; V78-V99 HydrophobicContact CB-CB 4.32Å; V78-V99 HydrophobicContact CB-CG2 4.05Å; V78-V99 HydrophobicContact CG1-CG2 3.78Å; V78-I102 HydrophobicContact CB-CD1 4.29Å; V78-I102 HydrophobicContact CG2-CD1 3.71Å; V78-L119 HydrophobicContact CG1-CD1 4.15Å |
| 79 | H | 91.7 | Very high | 81.6 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.7 | 177.5 | -64.5 | 87.9 | 0 | 0 | 0 | 110.7 | I29 H31 S76 Y81 R96 | I29-H79 PolarHBondContact N-O 3.33Å; I29-H79 PolarHBondContact O-N 3.15Å; H31-H79 AromaticContact CD2-ND1 3.98Å; S76-H79 PolarHBondContact O-CE1 2.75Å; H79-Y81 HydrophobicContact CB-CE2 4.43Å; H79-R96 PolarHBondContact CD2-NE 2.73Å; H79-R96 VanDerWaalsContact CD2-NE 3.32Å; H79-R96 PolarHBondContact CD2-NH2 2.85Å; H79-R96 VanDerWaalsContact CD2-NH2 3.25Å; H79-R96 PolarHBondContact NE2-NH2 2.82Å |
| 80 | V | 93.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.4 | 177.1 | -179.3 | 0 | 0 | 0 | 0 | 109 | A26 L27 I55 L82 R96 I97 V99 L119 L121 | A26-V80 HydrophobicContact CB-CG1 3.98Å; L27-V80 CarbonylContact O-C 3.59Å; L27-V80 WeakPolarHBondContact O-CA 3.33Å; I55-V80 HydrophobicContact CD1-CG1 4.01Å; I55-V80 HydrophobicContact CG1-CG1 3.99Å; I55-V80 HydrophobicContact CG1-CG2 4.18Å; V80-L82 HydrophobicContact CG1-CD2 4.24Å; V80-L82 HydrophobicContact CG1-CG 4.24Å; V80-R96 CarbonylContact O-C 3.58Å; V80-R96 WeakPolarHBondContact O-CA 3.39Å; V80-I97 PolarHBondContact N-O 3.33Å; V80-I97 PolarHBondContact O-N 2.82Å; V80-V99 HydrophobicContact CG2-CG2 3.94Å; V80-L119 HydrophobicContact CG2-CD1 4.08Å; V80-L121 HydrophobicContact CB-CD2 3.95Å; V80-L121 HydrophobicContact CG1-CD2 4.43Å; V80-L121 HydrophobicContact CG2-CD2 3.85Å |
| 81 | Y | 91.9 | Very high | 83.2 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.3 | 167.6 | -66 | -106.9 | 0 | 0 | 0 | 109.7 | L27 I29 H79 L90 E95 R96 | L27-Y81 HydrophobicContact CD2-CD2 4.32Å; L27-Y81 PolarHBondContact N-O 2.87Å; L27-Y81 PolarHBondContact O-N 3.36Å; I29-Y81 HydrophobicContact CD1-CD2 3.91Å; I29-Y81 HydrophobicContact CD1-CE2 3.59Å; I29-Y81 HydrophobicContact CG1-CD2 4.23Å; I29-Y81 HydrophobicContact CG1-CE2 4.22Å; H79-Y81 HydrophobicContact CB-CE2 4.43Å; Y81-L90 HydrophobicContact CD1-CD1 3.7Å; Y81-L90 HydrophobicContact CD1-CD2 4.27Å; Y81-L90 HydrophobicContact CE1-CD1 3.39Å; Y81-E95 VanDerWaalsContact CA-O 3.3Å; Y81-E95 WeakPolarHBondContact CA-O 3.09Å; Y81-R96 HydrophobicContact CD1-CB 3.9Å; Y81-R96 HydrophobicContact CD1-CG 4.44Å; Y81-R96 HydrophobicContact CE1-CB 3.58Å; Y81-R96 HydrophobicContact CE1-CG 3.91Å; Y81-R96 HydrophobicContact CE2-CG 4.02Å; Y81-R96 WeakPolarHBondContact OH-CD 3.36Å |
| 82 | L | 91.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 152.9 | 174.1 | -65.3 | 176.1 | 0 | 0 | 0 | 110.1 | A26 L43 I55 V80 A84 S94 E95 I97 I125 I131 | A26-L82 HydrophobicContact CB-CD2 3.59Å; L43-L82 HydrophobicContact CB-CD2 4.26Å; L43-L82 HydrophobicContact CD1-CD1 4.34Å; L43-L82 HydrophobicContact CD2-CD1 4.27Å; I55-L82 HydrophobicContact CD1-CD2 4.04Å; V80-L82 HydrophobicContact CG1-CD2 4.24Å; V80-L82 HydrophobicContact CG1-CG 4.24Å; L82-A84 PolarHBondContact O-N 2.81Å; L82-A84 VanDerWaalsContact O-N 3.17Å; L82-S94 CarbonylContact O-C 3.48Å; L82-S94 WeakPolarHBondContact O-CA 3.27Å; L82-E95 PolarHBondContact N-O 2.03Å; L82-E95 PolarHBondContact O-N 3.09Å; L82-I97 HydrophobicContact CD1-CD1 3.57Å; L82-I97 HydrophobicContact CG-CD1 4.06Å; L82-I125 HydrophobicContact CD1-CB 4.43Å; L82-I125 HydrophobicContact CD1-CG1 4.1Å; L82-I125 HydrophobicContact CD1-CG2 4.1Å; L82-I131 HydrophobicContact CB-CD1 3.69Å; L82-I131 HydrophobicContact CB-CG1 3.95Å; L82-I131 HydrophobicContact CB-CG2 4.06Å; L82-I131 HydrophobicContact CD1-CG2 3.87Å; L82-I131 HydrophobicContact CG-CG2 4.44Å |
| 83 | G | 86.6 | Confident | 83.4 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 76.8 | -9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | H20 | H20-G83 PolarHBondContact CE1-O 3.42Å; H20-G83 PolarHBondContact ND1-O 3.17Å |
| 84 | A | 85.8 | Confident | 83.2 | Confident | 13 Ų | 13 | 53 Ų | 53 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | trans | -63.5 | 142.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L82 L90 S94 | L82-A84 PolarHBondContact O-N 2.81Å; L82-A84 VanDerWaalsContact O-N 3.17Å; A84-L90 HydrophobicContact CB-CD2 3.74Å; A84-S94 WeakPolarHBondContact CA-OG 3.42Å | ||
| 85 | H | 82.8 | Confident | 83.3 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -110.6 | -56.1 | 172 | -178.9 | 74.1 | 0 | 0 | 0 | 111.5 | E16 A17 K19 W155 | E16-H85 IonicContact OE1-CD2 2.65Å; E16-H85 IonicContact OE1-CE1 3.34Å; E16-H85 IonicContact OE1-NE2 3.9Å; E16-H85 PolarHBondContact OE1-NE2 2.76Å; A17-H85 PolarHBondContact O-CE1 2.76Å; K19-H85 HydrophobicContact CG-CB 3.8Å; H85-W155 PolarHBondContact O-NE1 2.83Å |
| 86 | D | 80.6 | Confident | 83.5 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | trans | -96.7 | 128.2 | 171.3 | -170.3 | -16.4 | 0 | 0 | 0 | 109.5 | D88 Q89 | D86-D88 PolarHBondContact OD1-N 3.46Å; D86-Q89 HydrophobicContact CB-CB 4.15Å; D86-Q89 CarbonylContact O-C 3.54Å; D86-Q89 PolarHBondContact OD1-N 2.9Å | ||
| 87 | V | 75.1 | Confident | 83.7 | Confident | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -83.3 | -17.2 | -178.9 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | L27 K38 W155 | L27-V87 HydrophobicContact CD1-CG1 4.27Å; L27-V87 HydrophobicContact CD1-CG2 4.17Å; L27-V87 HydrophobicContact CD2-CB 4.49Å; L27-V87 HydrophobicContact CD2-CG1 3.82Å; L27-V87 HydrophobicContact CD2-CG2 4.03Å; K38-V87 HydrophobicContact CD-CG1 3.89Å; V87-W155 HydrophobicContact CB-CG 4.45Å; V87-W155 HydrophobicContact CG2-CB 3.85Å; V87-W155 VanDerWaalsContact CG2-CD1 3.45Å; V87-W155 HydrophobicContact CG2-CD2 3.47Å; V87-W155 VanDerWaalsContact CG2-CD2 3.47Å; V87-W155 HydrophobicContact CG2-CE3 4.14Å; V87-W155 HydrophobicContact CG2-CG 3.33Å; V87-W155 HydrophobicContact CG2-CZ2 4.34Å |
| 88 | D | 72.5 | Confident | 83.8 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 49% | 0.492 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -101.5 | -12.4 | 176.6 | -53.2 | -44.5 | 0 | 0 | 0 | 111.1 | R10 K38 D86 | R10-D88 IonicContact CZ-OD2 3.76Å; R10-D88 IonicContact NH1-OD2 3.43Å; R10-D88 PolarHBondContact NH1-OD2 2.7Å; R10-D88 IonicContact NH2-OD2 3.97Å; R10-D88 PolarHBondContact NH2-OD2 3.18Å; K38-D88 IonicContact NZ-OD1 3.21Å; D86-D88 PolarHBondContact OD1-N 3.46Å |
| 89 | Q | 75.1 | Confident | 83.9 | Confident | 148 Ų | 148 | 48.8 Ų | 48.8 | 69% | 0.692 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -133 | 80.6 | 168.5 | -62.3 | -170 | 12.5 | 0 | 0 | 112.1 | D86 | D86-Q89 HydrophobicContact CB-CB 4.15Å; D86-Q89 CarbonylContact O-C 3.54Å; D86-Q89 PolarHBondContact OD1-N 2.9Å |
| 90 | L | 75.1 | Confident | 83.6 | Confident | 82 Ų | 82 | 52.7 Ų | 52.7 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | trans | -64.6 | 137.6 | 173.1 | -62 | 174.2 | 0 | 0 | 0 | 110.9 | Y81 A84 | Y81-L90 HydrophobicContact CD1-CD1 3.7Å; Y81-L90 HydrophobicContact CD1-CD2 4.27Å; Y81-L90 HydrophobicContact CE1-CD1 3.39Å; A84-L90 HydrophobicContact CB-CD2 3.74Å | ||
| 91 | D | 74.7 | Confident | 83.1 | Confident | 38 Ų | 38 | 55.6 Ų | 55.6 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | trans | -114.6 | 180 | -174.2 | 64.1 | 14.5 | 0 | 0 | 0 | 113.1 | K19 H20 S93 S94 | K19-D91 WeakPolarHBondContact CE-OD2 3.45Å; K19-D91 IonicContact NZ-OD2 2.75Å; K19-D91 PolarHBondContact NZ-OD2 3.17Å; H20-D91 IonicContact CE1-OD2 3.66Å; D91-S93 PolarHBondContact O-N 3.31Å; D91-S93 VanDerWaalsContact O-N 3.08Å; D91-S93 PolarHBondContact OD1-N 3.25Å; D91-S93 PolarHBondContact OD1-OG 2.95Å; D91-S93 PolarHBondContact OD2-OG 3.07Å; D91-S94 PolarHBondContact N-OG 3.25Å; D91-S94 VanDerWaalsContact N-OG 3.14Å; D91-S94 WeakPolarHBondContact O-CB 3.48Å; D91-S94 PolarHBondContact O-N 2.86Å; D91-S94 PolarHBondContact O-OG 2.68Å; D91-S94 PolarHBondContact OD1-N 3.12Å; D91-S94 PolarHBondContact OD1-OG 3.49Å | ||
| 92 | Y | 73.9 | Confident | 82.8 | Confident | 195 Ų | 195 | 54.5 Ų | 54.5 | 77% | 0.765 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.9 | -178.6 | 67.1 | -96.6 | 0 | 0 | 0 | 114.5 | F130 | Y92-F130 HydrophobicContact CE2-CE2 4.43Š|
| 93 | S | 77.5 | Confident | 82.4 | Confident | 10 Ų | 10 | 57 Ų | 57 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -6.7 | 174.1 | 28.4 | 0 | 0 | 0 | 0 | 113.3 | H20 D91 | H20-S93 PolarHBondContact CE1-OG 2.99Å; D91-S93 PolarHBondContact O-N 3.31Å; D91-S93 VanDerWaalsContact O-N 3.08Å; D91-S93 PolarHBondContact OD1-N 3.25Å; D91-S93 PolarHBondContact OD1-OG 2.95Å; D91-S93 PolarHBondContact OD2-OG 3.07Å |
| 94 | S | 79.5 | Confident | 82 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | trans | -87.4 | 111.6 | -177.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | L82 A84 D91 | L82-S94 CarbonylContact O-C 3.48Å; L82-S94 WeakPolarHBondContact O-CA 3.27Å; A84-S94 WeakPolarHBondContact CA-OG 3.42Å; D91-S94 PolarHBondContact N-OG 3.25Å; D91-S94 VanDerWaalsContact N-OG 3.14Å; D91-S94 WeakPolarHBondContact O-CB 3.48Å; D91-S94 PolarHBondContact O-N 2.86Å; D91-S94 PolarHBondContact O-OG 2.68Å; D91-S94 PolarHBondContact OD1-N 3.12Å; D91-S94 PolarHBondContact OD1-OG 3.49Å | ||
| 95 | E | 84.3 | Confident | 81.2 | Confident | 65 Ų | 65 | 57 Ų | 57 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.2 | -179 | -167.7 | 177.8 | 179.4 | 0 | 0 | 111.5 | Y81 L82 I97 K123 I131 | Y81-E95 VanDerWaalsContact CA-O 3.3Å; Y81-E95 WeakPolarHBondContact CA-O 3.09Å; L82-E95 PolarHBondContact N-O 2.03Å; L82-E95 PolarHBondContact O-N 3.09Å; E95-I97 HydrophobicContact CG-CD1 4.33Å; E95-I97 HydrophobicContact CG-CG1 4.12Å; E95-K123 VanDerWaalsContact OE1-CE 3.25Å; E95-K123 WeakPolarHBondContact OE1-CE 3.33Å; E95-K123 IonicContact OE1-NZ 3.99Å; E95-K123 PolarHBondContact OE1-NZ 3.49Å; E95-I131 HydrophobicContact CB-CD1 4.23Å |
| 96 | R | 90.4 | Very high | 80.4 | Confident | 145 Ų | 145 | 59.9 Ų | 59.9 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.9 | 174 | -177.3 | -170.5 | 169.7 | -154 | -5.1 | 110.5 | H79 V80 Y81 | H79-R96 PolarHBondContact CD2-NE 2.73Å; H79-R96 VanDerWaalsContact CD2-NE 3.32Å; H79-R96 PolarHBondContact CD2-NH2 2.85Å; H79-R96 VanDerWaalsContact CD2-NH2 3.25Å; H79-R96 PolarHBondContact NE2-NH2 2.82Å; V80-R96 CarbonylContact O-C 3.58Å; V80-R96 WeakPolarHBondContact O-CA 3.39Å; Y81-R96 HydrophobicContact CD1-CB 3.9Å; Y81-R96 HydrophobicContact CD1-CG 4.44Å; Y81-R96 HydrophobicContact CE1-CB 3.58Å; Y81-R96 HydrophobicContact CE1-CG 3.91Å; Y81-R96 HydrophobicContact CE2-CG 4.02Å; Y81-R96 WeakPolarHBondContact OH-CD 3.36Å |
| 97 | I | 92.7 | Very high | 79.5 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.5 | -178.6 | -53.5 | 142.1 | 0 | 0 | 0 | 108.7 | V80 L82 E95 L121 K123 I125 | V80-I97 PolarHBondContact N-O 3.33Å; V80-I97 PolarHBondContact O-N 2.82Å; L82-I97 HydrophobicContact CD1-CD1 3.57Å; L82-I97 HydrophobicContact CG-CD1 4.06Å; E95-I97 HydrophobicContact CG-CD1 4.33Å; E95-I97 HydrophobicContact CG-CG1 4.12Å; I97-L121 HydrophobicContact CB-CD2 4.36Å; I97-L121 HydrophobicContact CD1-CD1 4.33Å; I97-L121 HydrophobicContact CG2-CB 3.91Å; I97-L121 HydrophobicContact CG2-CD1 4.31Å; I97-L121 HydrophobicContact CG2-CD2 3.99Å; I97-L121 HydrophobicContact CG2-CG 4.29Å; I97-K123 HydrophobicContact CG2-CG 4.09Å; I97-I125 HydrophobicContact CD1-CD1 3.42Å; I97-I125 VanDerWaalsContact CD1-CD1 3.42Å; I97-I125 HydrophobicContact CD1-CG1 3.69Å; I97-I125 HydrophobicContact CG1-CD1 3.86Å |
| 98 | G | 91.7 | Very high | 78.9 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 161 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E122 | G98-E122 VanDerWaalsContact CA-OE2 3.27Å; G98-E122 WeakPolarHBondContact CA-OE2 3.31Å; G98-E122 PolarHBondContact N-OE2 2.81Å; G98-E122 PolarHBondContact O-N 2.85Å |
| 99 | V | 93.7 | Very high | 78.4 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 130.6 | 175.7 | 179 | 0 | 0 | 0 | 0 | 109 | P75 V78 V80 E101 I102 L119 R120 | P75-V99 CarbonylContact C-O 3.13Å; P75-V99 HydrophobicContact CB-CB 4.43Å; P75-V99 HydrophobicContact CB-CG1 4.28Å; P75-V99 WeakPolarHBondContact CB-O 3.33Å; V78-V99 HydrophobicContact CB-CB 4.32Å; V78-V99 HydrophobicContact CB-CG2 4.05Å; V78-V99 HydrophobicContact CG1-CG2 3.78Å; V80-V99 HydrophobicContact CG2-CG2 3.94Å; V99-E101 VanDerWaalsContact CG1-O 3.27Å; V99-E101 WeakPolarHBondContact CG1-O 3.28Å; V99-I102 HydrophobicContact CG1-CD1 4.25Å; V99-I102 HydrophobicContact CG1-CG1 3.6Å; V99-L119 HydrophobicContact CG1-CB 3.99Å; V99-L119 HydrophobicContact CG2-CB 4.17Å; V99-L119 HydrophobicContact CG2-CD1 4.31Å; V99-R120 CarbonylContact C-O 3.44Å; V99-R120 WeakPolarHBondContact CG1-O 2.93Å |
| 100 | K | 85.1 | Confident | 77.5 | Confident | 111 Ų | 111 | 56.7 Ų | 56.7 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -49.8 | 175.1 | -171.6 | -169.6 | 178.5 | -134.6 | 0 | 111.5 | P75 R120 E122 | P75-K100 WeakPolarHBondContact CB-O 3.27Å; P75-K100 WeakPolarHBondContact CG-O 3.44Å; K100-R120 PolarHBondContact N-O 2.96Å; K100-E122 HydrophobicContact CB-CG 4.37Å |
| 101 | E | 84.9 | Confident | 76.9 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.6 | -173.5 | -73.3 | 151 | -143.4 | 0 | 0 | 110.7 | V99 F103 R120 | V99-E101 VanDerWaalsContact CG1-O 3.27Å; V99-E101 WeakPolarHBondContact CG1-O 3.28Å; E101-F103 HydrophobicContact CB-CD2 4.48Å; E101-F103 HydrophobicContact CB-CE2 3.65Å; E101-F103 HydrophobicContact CB-CZ 4.04Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.41Å; E101-R120 HydrophobicContact CB-CB 4.14Å; E101-R120 PolarHBondContact N-O 2.88Å; E101-R120 PolarHBondContact O-N 2.69Å |
| 102 | I | 84.9 | Confident | 76.3 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118.5 | -177.9 | -62.2 | 173.4 | 0 | 0 | 0 | 109.5 | V62 L72 A73 P75 V78 V99 L119 | V62-I102 HydrophobicContact CB-CG2 4.32Å; V62-I102 HydrophobicContact CG2-CG2 3.95Å; L72-I102 HydrophobicContact CD1-CG2 4.44Å; L72-I102 HydrophobicContact CD2-CG2 4.09Å; A73-I102 WeakPolarHBondContact O-CD1 3.3Å; P75-I102 HydrophobicContact CG-CD1 4.38Å; P75-I102 HydrophobicContact CG-CG1 4.39Å; V78-I102 HydrophobicContact CB-CD1 4.29Å; V78-I102 HydrophobicContact CG2-CD1 3.71Å; V99-I102 HydrophobicContact CG1-CD1 4.25Å; V99-I102 HydrophobicContact CG1-CG1 3.6Å; I102-L119 HydrophobicContact CB-CD2 4.46Å; I102-L119 HydrophobicContact CG1-CD2 4.06Å; I102-L119 HydrophobicContact CG2-CD2 3.95Å |
| 103 | F | 82.3 | Confident | 76.1 | Confident | 53 Ų | 53 | 50 Ų | 50 | 23% | 0.232 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 97.6 | 178.3 | -56.1 | -90.2 | 0 | 0 | 0 | 109.7 | E101 A117 I118 W202 | E101-F103 HydrophobicContact CB-CD2 4.48Å; E101-F103 HydrophobicContact CB-CE2 3.65Å; E101-F103 HydrophobicContact CB-CZ 4.04Å; E101-F103 WeakPolarHBondContact OE2-CZ 3.41Å; F103-A117 CarbonylContact O-C 3.57Å; F103-A117 VanDerWaalsContact O-CA 3.29Å; F103-A117 WeakPolarHBondContact O-CA 3.18Å; F103-I118 HydrophobicContact CB-CB 4.29Å; F103-I118 PolarHBondContact N-O 3.43Å; F103-I118 PolarHBondContact O-N 2.84Å; F103-W202 WeakPolarHBondContact O-CH2 3.49Å |
| 104 | A | 79.8 | Confident | 75.9 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 148.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A59 L72 L116 A117 K215 | A59-A104 HydrophobicContact CB-CB 4.16Å; L72-A104 HydrophobicContact CD1-CB 4.5Å; L72-A104 HydrophobicContact CD2-CB 3.62Å; A104-L116 WeakPolarHBondContact CA-O 3.32Å; A104-A117 HydrophobicContact CB-CB 3.79Å; A104-K215 PolarHBondContact O-NZ 2.85Å |
| 105 | G | 67.7 | Low | 76.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | trans | -70.8 | 178 | 168 | 0 | 0 | 0 | 0 | 0 | 113.5 | F107 L116 | G105-F107 VanDerWaalsContact C-N 3.25Å; G105-F107 PolarHBondContact O-N 3.28Å; G105-L116 PolarHBondContact N-O 2.86Å | ||
| 106 | E | 66.4 | Low | 76.3 | Confident | 102 Ų | 102 | 48.9 Ų | 48.9 | 48% | 0.477 | 25% | 0.251 | S | S | . | . | trans | -80.3 | 64.9 | -175.7 | -64.8 | -171.4 | -168 | 0 | 0 | 112.9 | N108 E114 L218 | E106-N108 PolarHBondContact O-N 3.21Å; E106-E114 PolarHBondContact N-OE2 3.03Å; E106-L218 HydrophobicContact CB-CD1 4.49Å; E106-L218 VanDerWaalsContact CD-CD2 3.49Å; E106-L218 HydrophobicContact CG-CD1 4.2Å; E106-L218 WeakPolarHBondContact OE1-CD2 3.18Å; E106-L218 WeakPolarHBondContact OE2-CD1 3.46Å; E106-L218 WeakPolarHBondContact OE2-CD2 3.43Å | ||
| 107 | F | 61.6 | Low | 76.1 | Confident | 19 Ų | 19 | 42 Ų | 42 | 8% | 0.083 | 23% | 0.225 | C | C | . | . | trans | -59 | 106.6 | -175.6 | 179 | -118.6 | 0 | 0 | 0 | 113.7 | A59 H60 I63 G105 K109 V113 D115 | A59-F107 HydrophobicContact CB-CB 3.7Å; A59-F107 HydrophobicContact CB-CG 4.24Å; H60-F107 HydrophobicContact CB-CD1 4.19Å; H60-F107 HydrophobicContact CB-CE1 3.61Å; H60-F107 HydrophobicContact CB-CZ 3.87Å; I63-F107 HydrophobicContact CD1-CB 3.74Å; I63-F107 HydrophobicContact CD1-CD1 4.26Å; I63-F107 HydrophobicContact CD1-CG 4.46Å; G105-F107 VanDerWaalsContact C-N 3.25Å; G105-F107 PolarHBondContact O-N 3.28Å; F107-K109 HydrophobicContact CD1-CG 4.16Å; F107-K109 HydrophobicContact CE1-CG 3.56Å; F107-K109 HydrophobicContact CZ-CG 4.22Å; F107-V113 WeakPolarHBondContact CA-O 3.11Å; F107-D115 HydrophobicContact CD2-CB 3.45Å; F107-D115 VanDerWaalsContact CD2-CB 3.45Å; F107-D115 HydrophobicContact CE2-CB 3.61Å; F107-D115 WeakPolarHBondContact CE2-OD2 3.28Å; F107-D115 HydrophobicContact CG-CB 4.48Å | ||
| 108 | N | 63.2 | Low | 76 | Confident | 65 Ų | 65 | 42 Ų | 42 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -96 | 105.1 | 175.9 | -179.2 | -21.8 | 0 | 0 | 0 | 110.3 | E106 V110 S111 S112 V113 | E106-N108 PolarHBondContact O-N 3.21Å; N108-V110 PolarHBondContact O-N 2.85Å; N108-V110 WeakPolarHBondContact OD1-CB 3.41Å; N108-V110 PolarHBondContact OD1-N 3.49Å; N108-S111 WeakPolarHBondContact CB-OG 3.48Å; N108-S111 PolarHBondContact O-N 3.3Å; N108-S112 PolarHBondContact O-N 3.18Å; N108-V113 PolarHBondContact N-O 3.22Å |
| 109 | K | 61 | Low | 76 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 24% | 0.235 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -22.6 | 178.8 | -74.6 | -177.1 | 178.6 | 175.8 | 0 | 115.7 | D64 D65 Q67 F107 | D64-K109 PolarHBondContact O-NZ 3.49Å; D64-K109 VanDerWaalsContact O-NZ 3.14Å; D65-K109 PolarHBondContact O-NZ 3.06Å; D65-K109 WeakPolarHBondContact OD1-CE 3.45Å; D65-K109 IonicContact OD1-NZ 3.5Å; D65-K109 PolarHBondContact OD1-NZ 2.86Å; Q67-K109 PolarHBondContact O-NZ 3.43Å; F107-K109 HydrophobicContact CD1-CG 4.16Å; F107-K109 HydrophobicContact CE1-CG 3.56Å; F107-K109 HydrophobicContact CZ-CG 4.22Å |
| 110 | V | 57.2 | Low | 75.9 | Confident | 111 Ų | 111 | 45.6 Ų | 45.6 | 67% | 0.673 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -28.5 | -178.1 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | N108 | N108-V110 PolarHBondContact O-N 2.85Å; N108-V110 WeakPolarHBondContact OD1-CB 3.41Å; N108-V110 PolarHBondContact OD1-N 3.49Å |
| 111 | S | 63.1 | Low | 76.2 | Confident | 63 Ų | 63 | 40.5 Ų | 40.5 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -13.1 | -177.5 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | N108 V113 | N108-S111 WeakPolarHBondContact CB-OG 3.48Å; N108-S111 PolarHBondContact O-N 3.3Å; S111-V113 PolarHBondContact O-N 3.24Å; S111-V113 WeakPolarHBondContact OG-CG2 3.29Å |
| 112 | S | 61.9 | Low | 76.6 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 33.7 | -170.9 | -57.7 | 0 | 0 | 0 | 0 | 113.2 | N108 | N108-S112 PolarHBondContact O-N 3.18Š|
| 113 | V | 68.7 | Low | 76.8 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | B | Isolated β-bridge | trans | -84.2 | 140.7 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 108.5 | F107 N108 S111 D115 | F107-V113 WeakPolarHBondContact CA-O 3.11Å; N108-V113 PolarHBondContact N-O 3.22Å; S111-V113 PolarHBondContact O-N 3.24Å; S111-V113 WeakPolarHBondContact OG-CG2 3.29Å; V113-D115 PolarHBondContact O-N 2.83Å |
| 114 | E | 73.1 | Confident | 77 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | trans | 57.5 | 39 | 176.1 | -69.9 | 179.1 | -150.7 | 0 | 0 | 116.2 | E106 L116 Y199 | E106-E114 PolarHBondContact N-OE2 3.03Å; E114-L116 PolarHBondContact O-N 2.82Å; E114-Y199 HydrophobicContact CG-CE1 4.31Å | ||
| 115 | D | 84.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -75.4 | 49.5 | 171.7 | -159.6 | 3.1 | 0 | 0 | 0 | 114.4 | A58 A59 H60 F107 V113 S177 M194 | A58-D115 WeakPolarHBondContact CA-O 3.22Å; A59-D115 PolarHBondContact N-O 2.81Å; A59-D115 PolarHBondContact N-OD1 3.25Å; H60-D115 IonicContact CE1-OD2 3.61Å; H60-D115 IonicContact CG-OD1 2.76Å; H60-D115 IonicContact CG-OD2 2.76Å; H60-D115 PolarHBondContact N-OD1 3.03Å; H60-D115 VanDerWaalsContact ND1-CG 3.32Å; H60-D115 IonicContact ND1-OD1 3.18Å; H60-D115 PolarHBondContact ND1-OD1 3.19Å; H60-D115 IonicContact ND1-OD2 3.06Å; H60-D115 PolarHBondContact ND1-OD2 3Å; F107-D115 HydrophobicContact CD2-CB 3.45Å; F107-D115 VanDerWaalsContact CD2-CB 3.45Å; F107-D115 HydrophobicContact CE2-CB 3.61Å; F107-D115 WeakPolarHBondContact CE2-OD2 3.28Å; F107-D115 HydrophobicContact CG-CB 4.48Å; V113-D115 PolarHBondContact O-N 2.83Å; D115-S177 WeakPolarHBondContact CB-OG 3.48Å; D115-S177 WeakPolarHBondContact OD2-CA 3.29Å; D115-S177 VanDerWaalsContact OD2-CB 3.24Å; D115-S177 WeakPolarHBondContact OD2-CB 3.44Å; D115-S177 PolarHBondContact OD2-OG 3.45Å; D115-M194 VanDerWaalsContact CA-SD 3.54Å; D115-M194 HydrophobicContact CB-CG 4.22Å; D115-M194 HydrophobicContact CB-SD 3.91Å; D115-M194 PolarHBondContact N-SD 2.79Å | ||
| 116 | L | 87.9 | Confident | 78.5 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | trans | -128.4 | 137.8 | -178.6 | -165.4 | 67.2 | 0 | 0 | 0 | 111.2 | L56 A104 G105 E114 I175 M194 I196 Y199 W202 | L56-L116 HydrophobicContact CD1-CD1 3.92Å; L56-L116 HydrophobicContact CD1-CD2 4.4Å; L56-L116 HydrophobicContact CD1-CG 4.08Å; L56-L116 HydrophobicContact CD2-CD1 4.23Å; L56-L116 HydrophobicContact CG-CD1 3.97Å; A104-L116 WeakPolarHBondContact CA-O 3.32Å; G105-L116 PolarHBondContact N-O 2.86Å; E114-L116 PolarHBondContact O-N 2.82Å; L116-I175 HydrophobicContact CD1-CB 4.09Å; L116-I175 HydrophobicContact CD1-CG1 3.94Å; L116-I175 HydrophobicContact CD1-CG2 4.45Å; L116-M194 HydrophobicContact CB-SD 3.74Å; L116-I196 HydrophobicContact CD1-CD1 3.75Å; L116-I196 HydrophobicContact CD2-CD1 4.14Å; L116-Y199 HydrophobicContact CD2-CD2 4.34Å; L116-Y199 HydrophobicContact CD2-CG 3.98Å; L116-W202 HydrophobicContact CB-CZ3 4.47Å; L116-W202 HydrophobicContact CD2-CE3 4Å; L116-W202 HydrophobicContact CD2-CZ3 3.68Å; L116-W202 HydrophobicContact CG-CZ3 3.98Å | ||
| 117 | A | 88.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T57 A59 V62 F103 A104 | T57-A117 HydrophobicContact CG2-CB 4.16Å; T57-A117 PolarHBondContact N-O 2.99Å; T57-A117 PolarHBondContact O-N 2.9Å; A59-A117 HydrophobicContact CB-CB 4.49Å; V62-A117 HydrophobicContact CG2-CB 3.9Å; F103-A117 CarbonylContact O-C 3.57Å; F103-A117 VanDerWaalsContact O-CA 3.29Å; F103-A117 WeakPolarHBondContact O-CA 3.18Å; A104-A117 HydrophobicContact CB-CB 3.79Å |
| 118 | I | 89.7 | Confident | 80.8 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.5 | 170.3 | -48 | 161.4 | 0 | 0 | 0 | 107.3 | L54 I55 L56 F103 W202 L203 A206 | L54-I118 HydrophobicContact CB-CG2 4.33Å; L54-I118 HydrophobicContact CD1-CG2 4.39Å; L54-I118 HydrophobicContact CD2-CG2 4.03Å; L54-I118 HydrophobicContact CG-CG2 4.49Å; I55-I118 CarbonylContact O-C 3.47Å; I55-I118 VanDerWaalsContact O-CA 3.31Å; I55-I118 WeakPolarHBondContact O-CA 3.32Å; L56-I118 HydrophobicContact CD1-CG1 3.89Å; F103-I118 HydrophobicContact CB-CB 4.29Å; F103-I118 PolarHBondContact N-O 3.43Å; F103-I118 PolarHBondContact O-N 2.84Å; I118-W202 HydrophobicContact CD1-CE3 4.27Å; I118-W202 HydrophobicContact CD1-CH2 3.85Å; I118-W202 HydrophobicContact CD1-CZ3 3.69Å; I118-W202 HydrophobicContact CG1-CH2 3.85Å; I118-W202 HydrophobicContact CG1-CZ3 3.75Å; I118-L203 HydrophobicContact CD1-CD2 3.65Å; I118-L203 HydrophobicContact CG1-CD2 3.76Å; I118-A206 HydrophobicContact CD1-CB 4.44Å |
| 119 | L | 91.4 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 171.6 | -38.3 | 177.5 | 0 | 0 | 0 | 107.8 | V28 I55 T57 V62 V78 V80 V99 I102 | V28-L119 HydrophobicContact CG1-CD1 3.81Å; V28-L119 HydrophobicContact CG2-CD1 3.98Å; I55-L119 HydrophobicContact CB-CB 4.16Å; I55-L119 HydrophobicContact CB-CD1 4.45Å; I55-L119 HydrophobicContact CB-CG 4.4Å; I55-L119 HydrophobicContact CG2-CD1 4.35Å; I55-L119 PolarHBondContact N-O 2.87Å; I55-L119 PolarHBondContact O-N 3.05Å; T57-L119 HydrophobicContact CG2-CD1 4.04Å; T57-L119 HydrophobicContact CG2-CD2 4.15Å; T57-L119 HydrophobicContact CG2-CG 4.03Å; V62-L119 HydrophobicContact CG1-CD2 3.85Å; V78-L119 HydrophobicContact CG1-CD1 4.15Å; V80-L119 HydrophobicContact CG2-CD1 4.08Å; V99-L119 HydrophobicContact CG1-CB 3.99Å; V99-L119 HydrophobicContact CG2-CB 4.17Å; V99-L119 HydrophobicContact CG2-CD1 4.31Å; I102-L119 HydrophobicContact CB-CD2 4.46Å; I102-L119 HydrophobicContact CG1-CD2 4.06Å; I102-L119 HydrophobicContact CG2-CD2 3.95Å |
| 120 | R | 91.2 | Very high | 82.9 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.7 | 171.5 | -169.9 | 170.7 | -161.5 | 153.5 | 15.1 | 109.2 | D53 L54 V99 K100 E101 | D53-R120 CarbonylContact O-C 3.48Å; D53-R120 WeakPolarHBondContact O-CA 3.39Å; D53-R120 IonicContact OD2-CZ 2.84Å; D53-R120 IonicContact OD2-NE 3.68Å; D53-R120 PolarHBondContact OD2-NE 2.88Å; D53-R120 IonicContact OD2-NH2 3.9Å; D53-R120 PolarHBondContact OD2-NH2 3.49Å; L54-R120 HydrophobicContact CD2-CB 4.07Å; L54-R120 HydrophobicContact CD2-CG 4Å; V99-R120 CarbonylContact C-O 3.44Å; V99-R120 WeakPolarHBondContact CG1-O 2.93Å; K100-R120 PolarHBondContact N-O 2.96Å; E101-R120 HydrophobicContact CB-CB 4.14Å; E101-R120 PolarHBondContact N-O 2.88Å; E101-R120 PolarHBondContact O-N 2.69Å |
| 121 | L | 93.2 | Very high | 84.5 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 154.1 | -179.5 | -60.4 | 177.8 | 0 | 0 | 0 | 111.4 | L43 D53 I55 V80 I97 K123 I125 | L43-L121 HydrophobicContact CD1-CD1 4.47Å; D53-L121 WeakPolarHBondContact O-CG 2.98Å; D53-L121 PolarHBondContact O-N 2.96Å; I55-L121 HydrophobicContact CD1-CD1 4.23Å; I55-L121 HydrophobicContact CG1-CD1 4.21Å; I55-L121 HydrophobicContact CG1-CD2 3.89Å; I55-L121 HydrophobicContact CG1-CG 4.14Å; V80-L121 HydrophobicContact CB-CD2 3.95Å; V80-L121 HydrophobicContact CG1-CD2 4.43Å; V80-L121 HydrophobicContact CG2-CD2 3.85Å; I97-L121 HydrophobicContact CB-CD2 4.36Å; I97-L121 HydrophobicContact CD1-CD1 4.33Å; I97-L121 HydrophobicContact CG2-CB 3.91Å; I97-L121 HydrophobicContact CG2-CD1 4.31Å; I97-L121 HydrophobicContact CG2-CD2 3.99Å; I97-L121 HydrophobicContact CG2-CG 4.29Å; L121-K123 WeakPolarHBondContact CB-O 3.16Å; L121-K123 PolarHBondContact O-N 2.93Å; L121-I125 HydrophobicContact CD1-CG1 3.85Å |
| 122 | E | 91.5 | Very high | 85.9 | Confident | 132 Ų | 132 | 52.2 Ų | 52.2 | 62% | 0.617 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -24 | 174.9 | -72.7 | 173.2 | 154.1 | 0 | 0 | 113.6 | G98 K100 | G98-E122 VanDerWaalsContact CA-OE2 3.27Å; G98-E122 WeakPolarHBondContact CA-OE2 3.31Å; G98-E122 PolarHBondContact N-OE2 2.81Å; G98-E122 PolarHBondContact O-N 2.85Å; K100-E122 HydrophobicContact CB-CG 4.37Å |
| 123 | K | 89.9 | Confident | 87.3 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150 | 177.4 | 63.3 | 178.1 | -173.8 | 176.3 | 0 | 110.7 | E95 I97 L121 I125 | E95-K123 VanDerWaalsContact OE1-CE 3.25Å; E95-K123 WeakPolarHBondContact OE1-CE 3.33Å; E95-K123 IonicContact OE1-NZ 3.99Å; E95-K123 PolarHBondContact OE1-NZ 3.49Å; I97-K123 HydrophobicContact CG2-CG 4.09Å; L121-K123 WeakPolarHBondContact CB-O 3.16Å; L121-K123 PolarHBondContact O-N 2.93Å; K123-I125 HydrophobicContact CD-CD1 4.21Å; K123-I125 HydrophobicContact CG-CD1 3.85Å |
| 124 | E | 87.2 | Confident | 88.4 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 40% | 0.402 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.8 | 172.7 | 175.4 | 158 | -162 | 0 | 0 | 110.6 | K47 S51 D53 | K47-E124 WeakPolarHBondContact CE-OE1 3.41Å; K47-E124 IonicContact NZ-OE1 3.18Å; K47-E124 PolarHBondContact NZ-OE1 3.03Å; K47-E124 IonicContact NZ-OE2 2.82Å; K47-E124 PolarHBondContact NZ-OE2 3.38Å; S51-E124 VanDerWaalsContact CB-OE1 3.26Å; S51-E124 WeakPolarHBondContact CB-OE1 3.37Å; S51-E124 VanDerWaalsContact OG-CD 3.29Å; S51-E124 PolarHBondContact OG-OE1 2.82Å; D53-E124 HydrophobicContact CB-CB 4.24Å |
| 125 | I | 89.9 | Confident | 89.2 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 119.3 | -173.8 | -54.9 | -59.7 | 0 | 0 | 0 | 109.8 | S51 S52 L82 I97 L121 K123 I131 | S51-I125 CarbonylContact C-O 3.57Å; S51-I125 WeakPolarHBondContact CA-O 3.47Å; S51-I125 VanDerWaalsContact CB-O 3.29Å; S51-I125 WeakPolarHBondContact CB-O 3.31Å; S52-I125 PolarHBondContact N-O 2.73Å; S52-I125 PolarHBondContact O-N 3.49Å; L82-I125 HydrophobicContact CD1-CB 4.43Å; L82-I125 HydrophobicContact CD1-CG1 4.1Å; L82-I125 HydrophobicContact CD1-CG2 4.1Å; I97-I125 HydrophobicContact CD1-CD1 3.42Å; I97-I125 VanDerWaalsContact CD1-CD1 3.42Å; I97-I125 HydrophobicContact CD1-CG1 3.69Å; I97-I125 HydrophobicContact CG1-CD1 3.86Å; L121-I125 HydrophobicContact CD1-CG1 3.85Å; K123-I125 HydrophobicContact CD-CD1 4.21Å; K123-I125 HydrophobicContact CG-CD1 3.85Å; I125-I131 HydrophobicContact CG2-CG2 3.94Å |
| 126 | A | 88.4 | Confident | 89.4 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | N50 | N50-A126 WeakPolarHBondContact O-CA 3.37Å |
| 127 | Y | 90.7 | Very high | 89.3 | Confident | 45 Ų | 45 | 47.7 Ų | 47.7 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | trans | -70 | 142.3 | 174.8 | -53.1 | -35 | 0 | 0 | 0 | 110.7 | L43 H45 N50 S51 S52 I131 | L43-Y127 HydrophobicContact CD2-CD1 4.26Å; L43-Y127 HydrophobicContact CD2-CE1 4Å; H45-Y127 AromaticContact CE1-CE2 3.79Å; H45-Y127 AromaticContact ND1-CE2 3.27Å; H45-Y127 VanDerWaalsContact ND1-CE2 3.27Å; H45-Y127 WeakPolarHBondContact ND1-CE2 3.3Å; H45-Y127 AromaticContact ND1-CZ 3.59Å; H45-Y127 PolarHBondContact ND1-OH 2.81Å; N50-Y127 VanDerWaalsContact C-CE2 3.45Å; N50-Y127 VanDerWaalsContact CA-CD2 3.49Å; N50-Y127 HydrophobicContact CB-CD2 4.33Å; N50-Y127 WeakPolarHBondContact O-CD2 3.48Å; N50-Y127 PolarHBondContact O-N 2.96Å; S51-Y127 VanDerWaalsContact N-CE2 3.34Å; S51-Y127 PolarHBondContact O-OH 3.45Å; S52-Y127 WeakPolarHBondContact CB-OH 3.13Å; Y127-I131 CarbonylContact C-O 3.35Å; Y127-I131 WeakPolarHBondContact CA-O 3.47Å | ||
| 128 | G | 85.7 | Confident | 88.7 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | trans | -148.7 | -157.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | F130 I131 Q132 | G128-F130 VanDerWaalsContact C-N 3.31Å; G128-F130 PolarHBondContact O-N 3.41Å; G128-I131 PolarHBondContact N-O 2.81Å; G128-Q132 VanDerWaalsContact O-CG 3.32Å; G128-Q132 WeakPolarHBondContact O-CG 3.45Å; G128-Q132 PolarHBondContact O-NE2 2.88Å | ||
| 129 | K | 82 | Confident | 87.6 | Confident | 174 Ų | 174 | 55.2 Ų | 55.2 | 76% | 0.757 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -68.6 | -27.7 | -177.4 | -172.4 | 173.5 | 177.9 | 178.4 | 0 | 113.8 | ||
| 130 | F | 86.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 63 Ų | 63 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -116.6 | -14.4 | -171.5 | -47.9 | -60.1 | 0 | 0 | 0 | 113.9 | H20 Y92 G128 | H20-F130 HydrophobicContact CB-CD1 4.19Å; H20-F130 AromaticContact CD2-CD1 3.54Å; H20-F130 AromaticContact CD2-CE1 3.86Å; H20-F130 AromaticContact CG-CD1 3.65Å; H20-F130 AromaticContact ND1-CD1 3.97Å; H20-F130 AromaticContact NE2-CD1 3.84Å; Y92-F130 HydrophobicContact CE2-CE2 4.43Å; G128-F130 VanDerWaalsContact C-N 3.31Å; G128-F130 PolarHBondContact O-N 3.41Å |
| 131 | I | 91.1 | Very high | 85.4 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | trans | -134.7 | 122.2 | -175 | -57.5 | 173.5 | 0 | 0 | 0 | 108 | P23 L43 L82 E95 I125 Y127 G128 | P23-I131 WeakPolarHBondContact O-CA 3.31Å; L43-I131 HydrophobicContact CD2-CG2 3.71Å; L82-I131 HydrophobicContact CB-CD1 3.69Å; L82-I131 HydrophobicContact CB-CG1 3.95Å; L82-I131 HydrophobicContact CB-CG2 4.06Å; L82-I131 HydrophobicContact CD1-CG2 3.87Å; L82-I131 HydrophobicContact CG-CG2 4.44Å; E95-I131 HydrophobicContact CB-CD1 4.23Å; I125-I131 HydrophobicContact CG2-CG2 3.94Å; Y127-I131 CarbonylContact C-O 3.35Å; Y127-I131 WeakPolarHBondContact CA-O 3.47Å; G128-I131 PolarHBondContact N-O 2.81Å | ||
| 132 | Q | 91 | Very high | 84.2 | Confident | 86 Ų | 86 | 69 Ų | 69 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | trans | -149.8 | 149.6 | 179.6 | -59.2 | -178.6 | -3.7 | 0 | 0 | 109.9 | P23 W24 G128 | P23-Q132 CarbonylContact C-O 3.45Å; P23-Q132 HydrophobicContact CB-CB 3.99Å; P23-Q132 HydrophobicContact CB-CG 3.98Å; P23-Q132 HydrophobicContact CG-CB 3.87Å; P23-Q132 HydrophobicContact CG-CG 3.97Å; P23-Q132 PolarHBondContact O-N 3.25Å; W24-Q132 WeakPolarHBondContact CA-O 3.43Å; W24-Q132 VanDerWaalsContact CB-O 3.24Å; W24-Q132 WeakPolarHBondContact CB-O 3.25Å; W24-Q132 PolarHBondContact N-O 2.87Å; G128-Q132 VanDerWaalsContact O-CG 3.32Å; G128-Q132 WeakPolarHBondContact O-CG 3.45Å; G128-Q132 PolarHBondContact O-NE2 2.88Å | ||
| 133 | G | 91.2 | Very high | 83.2 | Confident | 16 Ų | 16 | 68 Ų | 68 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 144.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L43 | L43-G133 CarbonylContact O-C 3.52Å; L43-G133 VanDerWaalsContact O-CA 3.3Å; L43-G133 WeakPolarHBondContact O-CA 3.13Å |
| 134 | I | 92.9 | Very high | 82.4 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 143.5 | 168.2 | -167.1 | 166.9 | 0 | 0 | 0 | 111 | W24 L43 I44 H45 A163 F170 L172 | W24-I134 HydrophobicContact CB-CB 3.79Å; W24-I134 HydrophobicContact CB-CG2 4.26Å; W24-I134 HydrophobicContact CD2-CB 4.05Å; W24-I134 HydrophobicContact CD2-CD1 4.17Å; W24-I134 HydrophobicContact CD2-CG1 4.32Å; W24-I134 HydrophobicContact CG-CB 3.7Å; W24-I134 HydrophobicContact CG-CD1 4.24Å; W24-I134 HydrophobicContact CG-CG1 4.38Å; W24-I134 HydrophobicContact CG-CG2 4.36Å; W24-I134 HydrophobicContact CZ2-CD1 4.5Å; L43-I134 PolarHBondContact O-N 3.44Å; I44-I134 HydrophobicContact CG2-CG2 4.38Å; H45-I134 PolarHBondContact N-O 3Å; I134-A163 HydrophobicContact CD1-CB 3.51Å; I134-F170 HydrophobicContact CD1-CB 4.1Å; I134-F170 HydrophobicContact CG1-CB 4.35Å; I134-F170 VanDerWaalsContact CG1-O 3.28Å; I134-F170 WeakPolarHBondContact CG1-O 3.49Å; I134-L172 HydrophobicContact CD1-CB 3.97Å; I134-L172 HydrophobicContact CD1-CD1 4.49Å; I134-L172 HydrophobicContact CG1-CB 4.24Å; I134-L172 HydrophobicContact CG2-CB 3.96Å; I134-L172 HydrophobicContact CG2-CD2 3.98Å; I134-L172 HydrophobicContact CG2-CG 4.48Å |
| 135 | C | 89.9 | Confident | 81.8 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 32% | 0.324 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.8 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | F170 V171 L172 | C135-F170 PolarHBondContact N-O 3.46Å; C135-V171 HydrophobicContact CB-CG2 4.3Å; C135-V171 WeakPolarHBondContact O-CA 3.17Å; C135-L172 PolarHBondContact O-N 2.8Å |
| 136 | L | 87.7 | Confident | 81.1 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 13% | 0.131 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 152 | 164.4 | -65.7 | 179.5 | 0 | 0 | 0 | 110.7 | I44 L172 I196 L200 | I44-L136 HydrophobicContact CB-CD2 4.46Å; I44-L136 HydrophobicContact CD1-CD1 4.3Å; I44-L136 HydrophobicContact CG2-CD2 4.05Å; L136-L172 HydrophobicContact CD2-CD2 4.42Å; L136-I196 HydrophobicContact CD2-CG2 4.05Å; L136-L200 HydrophobicContact CB-CD2 4.34Å |
| 137 | P | 85.2 | Confident | 80.3 | Confident | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.006 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 155.9 | 171.1 | 27.4 | -31.7 | 0 | 0 | 0 | 111 | E141 V171 L172 Y173 I196 P197 L200 | P137-E141 HydrophobicContact CB-CB 4.34Å; P137-V171 HydrophobicContact CB-CG1 3.91Å; P137-V171 HydrophobicContact CG-CG1 4.42Å; P137-L172 WeakPolarHBondContact CD-O 3.44Å; P137-Y173 HydrophobicContact CB-CD1 4.4Å; P137-Y173 HydrophobicContact CB-CE1 4Å; P137-I196 HydrophobicContact CG-CG2 4.21Å; P137-P197 HydrophobicContact CB-CG 4.3Å; P137-P197 HydrophobicContact CG-CG 3.82Å; P137-L200 HydrophobicContact CG-CD1 4.32Å; P137-L200 HydrophobicContact CG-CD2 4.36Å; P137-L200 VanDerWaalsContact O-CD1 3.26Å; P137-L200 WeakPolarHBondContact O-CD1 3.47Å; P137-L200 WeakPolarHBondContact O-CD2 3.17Å |
| 138 | A | 76 | Confident | 79.8 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 157.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N140 E141 L200 | A138-N140 PolarHBondContact O-N 3.13Å; A138-E141 HydrophobicContact CB-CB 4.34Å; A138-E141 PolarHBondContact N-OE2 2.92Å; A138-E141 WeakPolarHBondContact O-CB 3.4Å; A138-E141 PolarHBondContact O-N 3.01Å; A138-E141 VanDerWaalsContact O-N 3.08Å; A138-L200 VanDerWaalsContact O-CD1 3.29Å; A138-L200 WeakPolarHBondContact O-CD1 3.16Å |
| 139 | E | 66.4 | Low | 79.7 | Confident | 108 Ų | 108 | 82.3 Ų | 82.3 | 51% | 0.505 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 136.5 | 170.6 | -70.4 | -156.7 | 136.1 | 0 | 0 | 110.9 | E141 Y204 | E139-E141 PolarHBondContact O-N 2.9Å; E139-Y204 HydrophobicContact CG-CE2 4.21Å |
| 140 | N | 65.5 | Low | 79.9 | Confident | 162 Ų | 162 | 76.5 Ų | 76.5 | 87% | 0.866 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 12.2 | -174.9 | -48.7 | -64.1 | 0 | 0 | 0 | 115.7 | A138 K142 | A138-N140 PolarHBondContact O-N 3.13Å; N140-K142 PolarHBondContact O-N 2.82Å |
| 141 | E | 70.3 | Confident | 79.8 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -64 | 133.7 | 175 | -171 | 174.1 | 142.1 | 0 | 0 | 111.9 | P137 A138 E139 R166 Y173 | P137-E141 HydrophobicContact CB-CB 4.34Å; A138-E141 HydrophobicContact CB-CB 4.34Å; A138-E141 PolarHBondContact N-OE2 2.92Å; A138-E141 WeakPolarHBondContact O-CB 3.4Å; A138-E141 PolarHBondContact O-N 3.01Å; A138-E141 VanDerWaalsContact O-N 3.08Å; E139-E141 PolarHBondContact O-N 2.9Å; E141-R166 IonicContact OE1-CZ 3.83Å; E141-R166 IonicContact OE1-NE 3.17Å; E141-R166 IonicContact OE1-NH1 2.83Å; E141-R166 PolarHBondContact OE1-NH1 3.37Å; E141-R166 IonicContact OE2-CZ 3.49Å; E141-R166 IonicContact OE2-NH1 3.24Å; E141-R166 PolarHBondContact OE2-NH1 2.81Å; E141-Y173 PolarHBondContact OE1-OH 2.98Å |
| 142 | K | 68.2 | Low | 79.5 | Confident | 186 Ų | 186 | 77.5 Ų | 77.5 | 81% | 0.809 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 147.2 | 178 | -70.1 | -178.6 | 179.4 | 174.8 | 0 | 111.4 | N140 | N140-K142 PolarHBondContact O-N 2.82Š|
| 143 | E | 71.6 | Confident | 79.2 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 141.4 | 171.5 | -65.6 | 178.2 | -163.5 | 0 | 0 | 111 | E145 K195 | E143-E145 PolarHBondContact O-N 3.4Å; E143-K195 VanDerWaalsContact CD-NZ 3.28Å; E143-K195 IonicContact OE1-NZ 3.67Å; E143-K195 PolarHBondContact OE1-NZ 2.92Å; E143-K195 IonicContact OE2-NZ 3.19Å; E143-K195 PolarHBondContact OE2-NZ 3.27Å |
| 144 | P | 72 | Confident | 78.7 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 31% | 0.305 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.9 | 179.8 | 23.9 | -33.1 | 0 | 0 | 0 | 110.6 | Y173 | P144-Y173 HydrophobicContact CB-CE2 4.4Å; P144-Y173 HydrophobicContact CG-CD1 4.18Å; P144-Y173 HydrophobicContact CG-CD2 4.01Å; P144-Y173 HydrophobicContact CG-CE1 4.4Å; P144-Y173 HydrophobicContact CG-CE2 4.21Å; P144-Y173 HydrophobicContact CG-CG 3.97Å |
| 145 | E | 76 | Confident | 77.9 | Confident | 166 Ų | 166 | 77 Ų | 77 | 78% | 0.776 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -63 | 152.8 | -174 | -64.8 | -166.7 | 170.7 | 0 | 0 | 112.3 | E143 G147 S148 | E143-E145 PolarHBondContact O-N 3.4Å; E145-G147 PolarHBondContact O-N 2.87Å; E145-S148 PolarHBondContact N-OG 2.8Å; E145-S148 WeakPolarHBondContact O-CB 3.32Å; E145-S148 PolarHBondContact O-N 3.49Å; E145-S148 PolarHBondContact O-OG 3.38Å |
| 146 | K | 74.1 | Confident | 76.6 | Confident | 221 Ų | 221 | 76 Ų | 76 | 96% | 0.961 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 99.2 | -179.1 | -174 | -161.4 | 171.8 | -161.3 | 0 | 110.2 | ||
| 147 | G | 73.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 84% | 0.835 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.3 | -9.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E145 | E145-G147 PolarHBondContact O-N 2.87Š|
| 148 | S | 78.4 | Confident | 73.5 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | trans | -54.7 | 141.8 | 172 | -63.5 | 0 | 0 | 0 | 0 | 112.2 | E145 C150 | E145-S148 PolarHBondContact N-OG 2.8Å; E145-S148 WeakPolarHBondContact O-CB 3.32Å; E145-S148 PolarHBondContact O-N 3.49Å; E145-S148 PolarHBondContact O-OG 3.38Å; S148-C150 PolarHBondContact O-N 3.04Å | ||
| 149 | S | 83.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 57% | 0.573 | 46% | 0.455 | S | S | * | . | trans | -74.5 | 110 | 177.2 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | C164 L165 | S149-C164 WeakPolarHBondContact O-CA 3.4Å; S149-L165 PolarHBondContact O-N 2.8Å | ||
| 150 | C | 86.1 | Confident | 72.8 | Confident | 52 Ų | 52 | 77.7 Ų | 77.7 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.7 | 180 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S148 L162 A163 C164 | S148-C150 PolarHBondContact O-N 3.04Å; C150-L162 HydrophobicContact CB-CD1 3.79Å; C150-A163 CarbonylContact C-O 3.51Å; C150-A163 VanDerWaalsContact CA-O 3.28Å; C150-A163 WeakPolarHBondContact CA-O 3.07Å; C150-C164 HydrophobicContact CB-CB 3.98Å; C150-C164 WeakPolarHBondContact CB-SG 3.28Å; C150-C164 WeakPolarHBondContact SG-CB 3.42Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.37Å |
| 151 | V | 86.3 | Confident | 73.5 | Confident | 44 Ų | 44 | 70 Ų | 70 | 27% | 0.267 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 148.1 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | T153 A163 F170 | V151-T153 HydrophobicContact CG2-CG2 4.46Å; V151-A163 HydrophobicContact CG2-CB 4.08Å; V151-A163 PolarHBondContact N-O 3.31Å; V151-A163 PolarHBondContact O-N 2.94Å; V151-F170 HydrophobicContact CG1-CE1 4.43Å; V151-F170 HydrophobicContact CG2-CD1 4.25Å; V151-F170 HydrophobicContact CG2-CE1 3.79Å |
| 152 | V | 84.7 | Confident | 74.3 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.9 | 171.7 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | P161 L162 F193 | V152-P161 WeakPolarHBondContact CA-O 3.49Å; V152-L162 HydrophobicContact CG2-CB 4.48Å; V152-L162 HydrophobicContact CG2-CD1 3.68Å; V152-F193 HydrophobicContact CG1-CE1 4.42Å; V152-F193 HydrophobicContact CG1-CZ 4.37Å; V152-F193 HydrophobicContact CG2-CE1 4.23Å; V152-F193 HydrophobicContact CG2-CZ 3.76Å |
| 153 | T | 84.5 | Confident | 75.3 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 9% | 0.092 | 36% | 0.357 | C | S | . | . | trans | -122.7 | 151.3 | -170.1 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | H22 Q25 V151 G160 P161 | H22-T153 HydrophobicContact CB-CG2 4.34Å; Q25-T153 PolarHBondContact OE1-OG1 2.93Å; V151-T153 HydrophobicContact CG2-CG2 4.46Å; T153-G160 WeakPolarHBondContact O-CA 3.39Å; T153-G160 PolarHBondContact O-N 3.03Å; T153-P161 WeakPolarHBondContact O-CD 3.42Å | ||
| 154 | G | 80.6 | Confident | 76.2 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | trans | 147.4 | 177.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I11 | I11-G154 WeakPolarHBondContact CD1-O 3.35Š| ||
| 155 | W | 75.1 | Confident | 76.8 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 21% | 0.205 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -116.8 | 16.5 | -166.5 | -54.3 | -87.6 | 0 | 0 | 0 | 114.8 | R10 Q25 A26 L27 H85 V87 | R10-W155 WeakPolarHBondContact CD-O 3.2Å; Q25-W155 HydrophobicContact CB-CH2 4.49Å; Q25-W155 HydrophobicContact CG-CH2 3.43Å; Q25-W155 VanDerWaalsContact CG-CH2 3.43Å; Q25-W155 HydrophobicContact CG-CZ2 3.9Å; Q25-W155 HydrophobicContact CG-CZ3 3.83Å; A26-W155 WeakPolarHBondContact O-CZ3 3.13Å; L27-W155 HydrophobicContact CB-CE3 4.27Å; L27-W155 HydrophobicContact CB-CH2 3.87Å; L27-W155 HydrophobicContact CB-CZ3 3.59Å; L27-W155 HydrophobicContact CD1-CE3 3.93Å; L27-W155 HydrophobicContact CD1-CZ3 4.09Å; L27-W155 HydrophobicContact CG-CZ3 4.46Å; H85-W155 PolarHBondContact O-NE1 2.83Å; V87-W155 HydrophobicContact CB-CG 4.45Å; V87-W155 HydrophobicContact CG2-CB 3.85Å; V87-W155 VanDerWaalsContact CG2-CD1 3.45Å; V87-W155 HydrophobicContact CG2-CD2 3.47Å; V87-W155 VanDerWaalsContact CG2-CD2 3.47Å; V87-W155 HydrophobicContact CG2-CE3 4.14Å; V87-W155 HydrophobicContact CG2-CG 3.33Å; V87-W155 HydrophobicContact CG2-CZ2 4.34Å |
| 156 | G | 64.2 | Low | 76.9 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -142.4 | 177.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | R10 L158 | R10-G156 CarbonylContact C-O 3.54Å; R10-G156 CarbonylContact O-C 3.56Å; G156-L158 PolarHBondContact O-N 2.86Å |
| 157 | L | 55 | Low | 77.1 | Confident | 137 Ų | 137 | 51.8 Ų | 51.8 | 72% | 0.717 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -62.3 | -28.1 | -179.6 | -70.3 | 169.5 | 0 | 0 | 0 | 113.5 | R10 | R10-L157 WeakPolarHBondContact O-CA 3Š|
| 158 | L | 52.8 | Low | 77.3 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -94.3 | 97.8 | 170.6 | -55.9 | 174.4 | 0 | 0 | 0 | 106.6 | G156 | G156-L158 PolarHBondContact O-N 2.86Š|
| 159 | G | 55.6 | Low | 77.5 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -60.7 | 142.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V176 | G159-V176 WeakPolarHBondContact O-CB 3.09Å; G159-V176 WeakPolarHBondContact O-CG1 3.4Å; G159-V176 WeakPolarHBondContact O-CG2 3.49Å | ||
| 160 | G | 70.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | trans | -84.6 | -128.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T153 | T153-G160 WeakPolarHBondContact O-CA 3.39Å; T153-G160 PolarHBondContact O-N 3.03Å | ||
| 161 | P | 79.8 | Confident | 78 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | trans | -62.7 | 140 | -173 | 27.1 | -37.2 | 0 | 0 | 0 | 113 | S42 V152 T153 L172 I175 | S42-P161 WeakPolarHBondContact OG-CB 3.44Å; S42-P161 VanDerWaalsContact OG-CG 3.29Å; S42-P161 WeakPolarHBondContact OG-CG 3.21Å; V152-P161 WeakPolarHBondContact CA-O 3.49Å; T153-P161 WeakPolarHBondContact O-CD 3.42Å; P161-L172 HydrophobicContact CB-CD1 3.51Å; P161-I175 HydrophobicContact CB-CD1 4.1Å | ||
| 162 | L | 87.5 | Confident | 78.2 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 99.4 | 169.8 | 178.8 | 67.8 | 0 | 0 | 0 | 109.2 | C150 V152 Y173 G174 F193 | C150-L162 HydrophobicContact CB-CD1 3.79Å; V152-L162 HydrophobicContact CG2-CB 4.48Å; V152-L162 HydrophobicContact CG2-CD1 3.68Å; L162-Y173 PolarHBondContact O-N 2.95Å; L162-G174 PolarHBondContact N-O 2.85Å; L162-G174 PolarHBondContact O-N 2.62Å; L162-F193 HydrophobicContact CB-CD1 3.81Å; L162-F193 HydrophobicContact CB-CE1 3.83Å; L162-F193 HydrophobicContact CB-CG 4.29Å; L162-F193 HydrophobicContact CB-CZ 4.29Å; L162-F193 HydrophobicContact CD2-CD2 4.12Å; L162-F193 HydrophobicContact CD2-CE2 4.38Å; L162-F193 HydrophobicContact CD2-CG 4.23Å |
| 163 | A | 89.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | I134 C150 V151 F170 V171 | I134-A163 HydrophobicContact CD1-CB 3.51Å; C150-A163 CarbonylContact C-O 3.51Å; C150-A163 VanDerWaalsContact CA-O 3.28Å; C150-A163 WeakPolarHBondContact CA-O 3.07Å; V151-A163 HydrophobicContact CG2-CB 4.08Å; V151-A163 PolarHBondContact N-O 3.31Å; V151-A163 PolarHBondContact O-N 2.94Å; A163-F170 HydrophobicContact CB-CB 4.39Å; A163-F170 HydrophobicContact CB-CD1 3.97Å; A163-V171 WeakPolarHBondContact CA-O 3.35Å |
| 164 | C | 89.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.3 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | S149 C150 F170 V171 Y173 | S149-C164 WeakPolarHBondContact O-CA 3.4Å; C150-C164 HydrophobicContact CB-CB 3.98Å; C150-C164 WeakPolarHBondContact CB-SG 3.28Å; C150-C164 WeakPolarHBondContact SG-CB 3.42Å; C150-C164 CovalentContact SG-SG 2.04Å; C150-C164 PolarHBondContact SG-SG 3.37Å; C164-F170 WeakPolarHBondContact O-CA 3.43Å; C164-V171 PolarHBondContact N-O 2.93Å; C164-V171 PolarHBondContact O-N 3.33Å; C164-Y173 HydrophobicContact CB-CD2 3.62Å; C164-Y173 HydrophobicContact CB-CE2 3.72Å |
| 165 | L | 85.1 | Confident | 78.9 | Confident | 71 Ų | 71 | 47.1 Ų | 47.1 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 122.2 | 178.6 | -170.8 | 73.8 | 0 | 0 | 0 | 110.2 | S149 S169 F170 | S149-L165 PolarHBondContact O-N 2.8Å; L165-S169 WeakPolarHBondContact CA-O 3.37Å; L165-F170 HydrophobicContact CB-CD1 4.41Å; L165-F170 HydrophobicContact CB-CE1 4.05Å; L165-F170 HydrophobicContact CB-CZ 4.32Å; L165-F170 HydrophobicContact CD1-CD2 3.92Å; L165-F170 HydrophobicContact CD1-CE1 4.29Å; L165-F170 HydrophobicContact CD1-CE2 3.7Å; L165-F170 HydrophobicContact CD1-CG 4.34Å; L165-F170 HydrophobicContact CD1-CZ 3.91Å |
| 166 | R | 79.2 | Confident | 79.1 | Confident | 117 Ų | 117 | 45 Ų | 45 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 124.3 | 177.2 | -178.7 | 177 | 174.3 | -136.3 | 1 | 108.8 | E141 N168 S169 V171 | E141-R166 IonicContact OE1-CZ 3.83Å; E141-R166 IonicContact OE1-NE 3.17Å; E141-R166 IonicContact OE1-NH1 2.83Å; E141-R166 PolarHBondContact OE1-NH1 3.37Å; E141-R166 IonicContact OE2-CZ 3.49Å; E141-R166 IonicContact OE2-NH1 3.24Å; E141-R166 PolarHBondContact OE2-NH1 2.81Å; R166-N168 VanDerWaalsContact C-N 3.3Å; R166-N168 PolarHBondContact O-N 2.86Å; R166-S169 PolarHBondContact N-O 3.27Å; R166-S169 PolarHBondContact O-N 2.8Å; R166-V171 HydrophobicContact CB-CG2 4.24Å |
| 167 | N | 76.8 | Confident | 79.7 | Confident | 150 Ų | 150 | 44.2 Ų | 44.2 | 80% | 0.802 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 47 | -178.5 | -61.8 | -1.5 | 0 | 0 | 0 | 113.6 | S169 | N167-S169 PolarHBondContact O-N 3.14Å; N167-S169 VanDerWaalsContact O-N 3.12Å |
| 168 | N | 77.6 | Confident | 80.4 | Confident | 155 Ų | 155 | 41.9 Ų | 41.9 | 83% | 0.829 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 2.2 | -175 | -106.7 | 18.9 | 0 | 0 | 0 | 117 | R166 | R166-N168 VanDerWaalsContact C-N 3.3Å; R166-N168 PolarHBondContact O-N 2.86Å |
| 169 | S | 83.7 | Confident | 80.6 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 43% | 0.434 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 150.5 | 174.3 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | L165 R166 N167 | L165-S169 WeakPolarHBondContact CA-O 3.37Å; R166-S169 PolarHBondContact N-O 3.27Å; R166-S169 PolarHBondContact O-N 2.8Å; N167-S169 PolarHBondContact O-N 3.14Å; N167-S169 VanDerWaalsContact O-N 3.12Å |
| 170 | F | 89.4 | Confident | 80.7 | Confident | 52 Ų | 52 | 43 Ų | 43 | 23% | 0.228 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.7 | 172 | -80 | -84.9 | 0 | 0 | 0 | 110.7 | W24 I134 C135 V151 A163 C164 L165 | W24-F170 HydrophobicContact CH2-CB 3.77Å; W24-F170 AromaticContact CH2-CD2 3.44Å; W24-F170 HydrophobicContact CH2-CD2 3.44Å; W24-F170 VanDerWaalsContact CH2-CD2 3.44Å; W24-F170 HydrophobicContact CH2-CE2 4.13Å; W24-F170 AromaticContact CH2-CG 3.67Å; W24-F170 HydrophobicContact CH2-CG 3.67Å; W24-F170 HydrophobicContact CZ2-CB 4Å; W24-F170 HydrophobicContact CZ2-CD1 4.46Å; W24-F170 HydrophobicContact CZ2-CD2 4.11Å; W24-F170 AromaticContact CZ2-CG 3.94Å; W24-F170 HydrophobicContact CZ2-CG 3.94Å; W24-F170 HydrophobicContact CZ3-CB 4.31Å; W24-F170 HydrophobicContact CZ3-CD2 4.28Å; I134-F170 HydrophobicContact CD1-CB 4.1Å; I134-F170 HydrophobicContact CG1-CB 4.35Å; I134-F170 VanDerWaalsContact CG1-O 3.28Å; I134-F170 WeakPolarHBondContact CG1-O 3.49Å; C135-F170 PolarHBondContact N-O 3.46Å; V151-F170 HydrophobicContact CG1-CE1 4.43Å; V151-F170 HydrophobicContact CG2-CD1 4.25Å; V151-F170 HydrophobicContact CG2-CE1 3.79Å; A163-F170 HydrophobicContact CB-CB 4.39Å; A163-F170 HydrophobicContact CB-CD1 3.97Å; C164-F170 WeakPolarHBondContact O-CA 3.43Å; L165-F170 HydrophobicContact CB-CD1 4.41Å; L165-F170 HydrophobicContact CB-CE1 4.05Å; L165-F170 HydrophobicContact CB-CZ 4.32Å; L165-F170 HydrophobicContact CD1-CD2 3.92Å; L165-F170 HydrophobicContact CD1-CE1 4.29Å; L165-F170 HydrophobicContact CD1-CE2 3.7Å; L165-F170 HydrophobicContact CD1-CG 4.34Å; L165-F170 HydrophobicContact CD1-CZ 3.91Å |
| 171 | V | 90.6 | Very high | 79.8 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.9 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | C135 P137 A163 C164 R166 Y173 | C135-V171 HydrophobicContact CB-CG2 4.3Å; C135-V171 WeakPolarHBondContact O-CA 3.17Å; P137-V171 HydrophobicContact CB-CG1 3.91Å; P137-V171 HydrophobicContact CG-CG1 4.42Å; A163-V171 WeakPolarHBondContact CA-O 3.35Å; C164-V171 PolarHBondContact N-O 2.93Å; C164-V171 PolarHBondContact O-N 3.33Å; R166-V171 HydrophobicContact CB-CG2 4.24Å; V171-Y173 HydrophobicContact CB-CD2 4.33Å; V171-Y173 HydrophobicContact CB-CE2 3.71Å; V171-Y173 HydrophobicContact CG1-CD2 4.3Å; V171-Y173 HydrophobicContact CG1-CE1 4.33Å; V171-Y173 HydrophobicContact CG1-CE2 3.79Å; V171-Y173 WeakPolarHBondContact O-CD2 3.42Å; V171-Y173 PolarHBondContact O-N 2.84Å |
| 172 | L | 90.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 101 | -176.6 | -175.6 | 61.4 | 0 | 0 | 0 | 111.5 | I44 L56 I134 C135 L136 P137 P161 I175 I196 | I44-L172 HydrophobicContact CG2-CD2 4.11Å; L56-L172 HydrophobicContact CB-CD2 4.49Å; L56-L172 HydrophobicContact CD2-CD2 3.75Å; I134-L172 HydrophobicContact CD1-CB 3.97Å; I134-L172 HydrophobicContact CD1-CD1 4.49Å; I134-L172 HydrophobicContact CG1-CB 4.24Å; I134-L172 HydrophobicContact CG2-CB 3.96Å; I134-L172 HydrophobicContact CG2-CD2 3.98Å; I134-L172 HydrophobicContact CG2-CG 4.48Å; C135-L172 PolarHBondContact O-N 2.8Å; L136-L172 HydrophobicContact CD2-CD2 4.42Å; P137-L172 WeakPolarHBondContact CD-O 3.44Å; P161-L172 HydrophobicContact CB-CD1 3.51Å; L172-I175 HydrophobicContact CD1-CD1 4.33Å; L172-I175 HydrophobicContact CD2-CD1 4.35Å; L172-I196 HydrophobicContact CG-CG1 4.35Å |
| 173 | Y | 88.8 | Confident | 76.1 | Confident | 18 Ų | 18 | 54 Ų | 54 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -20.2 | -180 | -70.9 | -79.5 | 0 | 0 | 0 | 113.9 | P137 E141 P144 L162 C164 V171 I196 P197 | P137-Y173 HydrophobicContact CB-CD1 4.4Å; P137-Y173 HydrophobicContact CB-CE1 4Å; E141-Y173 PolarHBondContact OE1-OH 2.98Å; P144-Y173 HydrophobicContact CB-CE2 4.4Å; P144-Y173 HydrophobicContact CG-CD1 4.18Å; P144-Y173 HydrophobicContact CG-CD2 4.01Å; P144-Y173 HydrophobicContact CG-CE1 4.4Å; P144-Y173 HydrophobicContact CG-CE2 4.21Å; P144-Y173 HydrophobicContact CG-CG 3.97Å; L162-Y173 PolarHBondContact O-N 2.95Å; C164-Y173 HydrophobicContact CB-CD2 3.62Å; C164-Y173 HydrophobicContact CB-CE2 3.72Å; V171-Y173 HydrophobicContact CB-CD2 4.33Å; V171-Y173 HydrophobicContact CB-CE2 3.71Å; V171-Y173 HydrophobicContact CG1-CD2 4.3Å; V171-Y173 HydrophobicContact CG1-CE1 4.33Å; V171-Y173 HydrophobicContact CG1-CE2 3.79Å; V171-Y173 WeakPolarHBondContact O-CD2 3.42Å; V171-Y173 PolarHBondContact O-N 2.84Å; Y173-I196 PolarHBondContact O-N 3.04Å; Y173-P197 HydrophobicContact CD1-CG 4.15Å |
| 174 | G | 87.8 | Confident | 74 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 155.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | L162 M194 | L162-G174 PolarHBondContact N-O 2.85Å; L162-G174 PolarHBondContact O-N 2.62Å; G174-M194 WeakPolarHBondContact CA-O 3.1Å |
| 175 | I | 86.4 | Confident | 72 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136 | 170 | -67.5 | -67.6 | 0 | 0 | 0 | 107.3 | L56 A58 L116 P161 L172 S177 F193 M194 I196 | L56-I175 HydrophobicContact CD2-CD1 4.47Å; L56-I175 HydrophobicContact CD2-CG1 4.07Å; L56-I175 HydrophobicContact CG-CD1 4.42Å; L56-I175 HydrophobicContact CG-CG1 4.16Å; A58-I175 HydrophobicContact CB-CG2 3.98Å; L116-I175 HydrophobicContact CD1-CB 4.09Å; L116-I175 HydrophobicContact CD1-CG1 3.94Å; L116-I175 HydrophobicContact CD1-CG2 4.45Å; P161-I175 HydrophobicContact CB-CD1 4.1Å; L172-I175 HydrophobicContact CD1-CD1 4.33Å; L172-I175 HydrophobicContact CD2-CD1 4.35Å; I175-S177 PolarHBondContact O-N 3.03Å; I175-F193 CarbonylContact O-C 3.6Å; I175-F193 WeakPolarHBondContact O-CA 3.37Å; I175-M194 PolarHBondContact N-O 3.35Å; I175-M194 PolarHBondContact O-N 3.48Å; I175-I196 HydrophobicContact CG1-CD1 4.01Å |
| 176 | V | 80.8 | Confident | 70 | Confident | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.067 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 137.3 | 179.7 | 73.6 | 0 | 0 | 0 | 0 | 110.5 | A58 G159 F193 | A58-V176 WeakPolarHBondContact CB-O 3.33Å; G159-V176 WeakPolarHBondContact O-CB 3.09Å; G159-V176 WeakPolarHBondContact O-CG1 3.4Å; G159-V176 WeakPolarHBondContact O-CG2 3.49Å; V176-F193 HydrophobicContact CB-CD1 4.21Å; V176-F193 HydrophobicContact CB-CE1 4.13Å; V176-F193 HydrophobicContact CG2-CE1 4.46Å |
| 177 | S | 76 | Confident | 68.5 | Low | 11 Ų | 11 | 68.9 Ų | 68.9 | 8% | 0.077 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -46.5 | 168.3 | 175.5 | 0 | 0 | 0 | 0 | 111 | H60 D115 I175 A192 | H60-S177 PolarHBondContact CE1-O 3.3Å; D115-S177 WeakPolarHBondContact CB-OG 3.48Å; D115-S177 WeakPolarHBondContact OD2-CA 3.29Å; D115-S177 VanDerWaalsContact OD2-CB 3.24Å; D115-S177 WeakPolarHBondContact OD2-CB 3.44Å; D115-S177 PolarHBondContact OD2-OG 3.45Å; I175-S177 PolarHBondContact O-N 3.03Å; S177-A192 PolarHBondContact N-O 3.11Å |
| 178 | F | 70.4 | Confident | 67.3 | Low | 87 Ų | 87 | 66.5 Ų | 66.5 | 38% | 0.382 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 160.3 | 173.7 | 68.1 | -85.4 | 0 | 0 | 0 | 112.4 | F180 A192 | F178-F180 HydrophobicContact CD2-CD1 4Å; F178-F180 AromaticContact CE2-CD1 3.6Å; F178-F180 HydrophobicContact CE2-CD1 3.6Å; F178-F180 AromaticContact CE2-CE1 3.96Å; F178-F180 HydrophobicContact CE2-CE1 3.96Å; F178-A192 HydrophobicContact CD1-CB 3.74Å; F178-A192 HydrophobicContact CD2-CB 4.36Å; F178-A192 HydrophobicContact CE1-CB 3.42Å; F178-A192 VanDerWaalsContact CE1-CB 3.42Å; F178-A192 HydrophobicContact CE2-CB 4.09Å; F178-A192 HydrophobicContact CG-CB 4.2Å; F178-A192 HydrophobicContact CZ-CB 3.61Å; F178-A192 PolarHBondContact O-N 2.8Å |
| 179 | S | 57.1 | Low | 66.2 | Low | 27 Ų | 27 | 60.9 Ų | 60.9 | 19% | 0.189 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.8 | 172.3 | -163.6 | 0 | 0 | 0 | 0 | 110 | K190 H191 | S179-K190 WeakPolarHBondContact CA-O 3.43Å; S179-K190 PolarHBondContact OG-O 3.32Å; S179-H191 VanDerWaalsContact CB-CD2 3.49Å; S179-H191 WeakPolarHBondContact CB-CD2 3.43Å; S179-H191 PolarHBondContact OG-CD2 2.88Å; S179-H191 PolarHBondContact OG-CE1 2.85Å; S179-H191 PolarHBondContact OG-NE2 3.34Å |
| 180 | F | 57.9 | Low | 65.3 | Low | 79 Ų | 79 | 62.2 Ų | 62.2 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 140.6 | 176.9 | 63.2 | -80.7 | 0 | 0 | 0 | 112.6 | F178 E182 K190 | F178-F180 HydrophobicContact CD2-CD1 4Å; F178-F180 AromaticContact CE2-CD1 3.6Å; F178-F180 HydrophobicContact CE2-CD1 3.6Å; F178-F180 AromaticContact CE2-CE1 3.96Å; F178-F180 HydrophobicContact CE2-CE1 3.96Å; F180-E182 HydrophobicContact CD2-CB 4.37Å; F180-E182 HydrophobicContact CD2-CG 4.32Å; F180-E182 HydrophobicContact CE2-CB 4.44Å; F180-E182 HydrophobicContact CE2-CG 4.15Å; F180-K190 HydrophobicContact CD1-CB 4.07Å; F180-K190 VanDerWaalsContact CD1-O 3.28Å; F180-K190 WeakPolarHBondContact CD1-O 3.02Å; F180-K190 HydrophobicContact CD2-CB 4.3Å; F180-K190 HydrophobicContact CE1-CB 3.6Å; F180-K190 HydrophobicContact CE2-CB 3.87Å; F180-K190 HydrophobicContact CE2-CD 3.66Å; F180-K190 HydrophobicContact CE2-CG 4.37Å; F180-K190 HydrophobicContact CG-CB 4.4Å; F180-K190 HydrophobicContact CZ-CB 3.5Å; F180-K190 HydrophobicContact CZ-CD 3.61Å; F180-K190 HydrophobicContact CZ-CG 4.22Å; F180-K190 PolarHBondContact N-O 3.37Å; F180-K190 PolarHBondContact O-N 3.48Å |
| 181 | V | 51.4 | Low | 64.4 | Low | 85 Ų | 85 | 62.1 Ų | 62.1 | 52% | 0.515 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.5 | 175 | -167.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 182 | E | 46.4 | Very low | 63.7 | Low | 117 Ų | 117 | 63 Ų | 63 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -93.5 | -12.9 | -172.6 | -141.9 | -179.9 | -136.2 | 0 | 0 | 114.2 | F180 K190 | F180-E182 HydrophobicContact CD2-CB 4.37Å; F180-E182 HydrophobicContact CD2-CG 4.32Å; F180-E182 HydrophobicContact CE2-CB 4.44Å; F180-E182 HydrophobicContact CE2-CG 4.15Å; E182-K190 IonicContact OE1-NZ 3.03Å; E182-K190 PolarHBondContact OE1-NZ 3.02Å; E182-K190 IonicContact OE2-NZ 2.86Å; E182-K190 PolarHBondContact OE2-NZ 2.89Å |
| 183 | D | 43.1 | Very low | 63.3 | Low | 73 Ų | 73 | 65.9 Ų | 65.9 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | trans | -162.6 | 122 | 169.9 | -103.9 | -40.5 | 0 | 0 | 0 | 108.4 | S185 R186 K1565 | D183-S185 PolarHBondContact O-N 2.97Å; D183-S185 VanDerWaalsContact O-N 3.14Å; D183-R186 CarbonylContact O-C 3.51Å; D183-R186 PolarHBondContact O-N 3.07Å; D183-R186 VanDerWaalsContact O-N 3.12Å; D183-R186 VanDerWaalsContact O-O 3.09Å; D183-K1565 IonicContact OD1-NZ 3.65Å; D183-K1565 IonicContact OD2-NZ 2.83Å; D183-K1565 PolarHBondContact OD2-NZ 3.21Å | ||
| 184 | C | 45.8 | Very low | 63 | Low | 128 Ų | 128 | 65.8 Ų | 65.8 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.7 | 176.8 | -71 | 0 | 0 | 0 | 0 | 113 | R186 | C184-R186 VanDerWaalsContact C-N 3.33Š|
| 185 | S | 47.2 | Very low | 62.8 | Low | 115 Ų | 115 | 70.4 Ų | 70.4 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.1 | 178.2 | -47.2 | 0 | 0 | 0 | 0 | 114.5 | D183 | D183-S185 PolarHBondContact O-N 2.97Å; D183-S185 VanDerWaalsContact O-N 3.14Å |
| 186 | R | 44 | Very low | 62.7 | Low | 199 Ų | 199 | 70.1 Ų | 70.1 | 75% | 0.751 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -140.8 | 95.2 | 176.7 | -71.5 | -175.4 | 179.4 | 172.2 | -1.6 | 108.4 | D183 C184 V188 | D183-R186 CarbonylContact O-C 3.51Å; D183-R186 PolarHBondContact O-N 3.07Å; D183-R186 VanDerWaalsContact O-N 3.12Å; D183-R186 VanDerWaalsContact O-O 3.09Å; C184-R186 VanDerWaalsContact C-N 3.33Å; R186-V188 PolarHBondContact O-N 2.95Å |
| 187 | S | 47 | Very low | 62.7 | Low | 61 Ų | 61 | 71.2 Ų | 71.2 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | trans | -65.5 | 61.5 | -174.2 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | N13 | N13-S187 PolarHBondContact ND2-O 2.99Š| ||
| 188 | V | 51.4 | Low | 62.8 | Low | 100 Ų | 100 | 79.5 Ų | 79.5 | 61% | 0.606 | 41% | 0.409 | S | S | * | . | trans | -114.8 | 89.8 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 108.1 | R186 K190 | R186-V188 PolarHBondContact O-N 2.95Å; V188-K190 PolarHBondContact O-N 2.71Å | ||
| 189 | N | 55.1 | Low | 63.1 | Low | 37 Ų | 37 | 78.1 Ų | 78.1 | 20% | 0.198 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.9 | 177.6 | -73.2 | 6.6 | 0 | 0 | 0 | 110.1 | S12 H191 | S12-N189 VanDerWaalsContact CB-ND2 3.28Å; S12-N189 WeakPolarHBondContact CB-ND2 3.33Å; S12-N189 WeakPolarHBondContact OG-CB 3.05Å; S12-N189 PolarHBondContact OG-ND2 3.07Å; N189-H191 PolarHBondContact O-ND1 2.99Å |
| 190 | K | 64.4 | Low | 63.9 | Low | 91 Ų | 91 | 77 Ų | 77 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.8 | 177.2 | -73 | 176.9 | 177 | 174.7 | 0 | 109.2 | S179 F180 E182 V188 | S179-K190 WeakPolarHBondContact CA-O 3.43Å; S179-K190 PolarHBondContact OG-O 3.32Å; F180-K190 HydrophobicContact CD1-CB 4.07Å; F180-K190 VanDerWaalsContact CD1-O 3.28Å; F180-K190 WeakPolarHBondContact CD1-O 3.02Å; F180-K190 HydrophobicContact CD2-CB 4.3Å; F180-K190 HydrophobicContact CE1-CB 3.6Å; F180-K190 HydrophobicContact CE2-CB 3.87Å; F180-K190 HydrophobicContact CE2-CD 3.66Å; F180-K190 HydrophobicContact CE2-CG 4.37Å; F180-K190 HydrophobicContact CG-CB 4.4Å; F180-K190 HydrophobicContact CZ-CB 3.5Å; F180-K190 HydrophobicContact CZ-CD 3.61Å; F180-K190 HydrophobicContact CZ-CG 4.22Å; F180-K190 PolarHBondContact N-O 3.37Å; F180-K190 PolarHBondContact O-N 3.48Å; E182-K190 IonicContact OE1-NZ 3.03Å; E182-K190 PolarHBondContact OE1-NZ 3.02Å; E182-K190 IonicContact OE2-NZ 2.86Å; E182-K190 PolarHBondContact OE2-NZ 2.89Å; V188-K190 PolarHBondContact O-N 2.71Å |
| 191 | H | 70.1 | Confident | 64.5 | Low | 49 Ų | 49 | 78.7 Ų | 78.7 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.5 | 176.6 | -62.5 | 82.5 | 0 | 0 | 0 | 109.4 | S179 N189 F193 | S179-H191 VanDerWaalsContact CB-CD2 3.49Å; S179-H191 WeakPolarHBondContact CB-CD2 3.43Å; S179-H191 PolarHBondContact OG-CD2 2.88Å; S179-H191 PolarHBondContact OG-CE1 2.85Å; S179-H191 PolarHBondContact OG-NE2 3.34Å; N189-H191 PolarHBondContact O-ND1 2.99Å; H191-F193 HydrophobicContact CB-CD2 4.35Å; H191-F193 HydrophobicContact CB-CE1 4.45Å; H191-F193 HydrophobicContact CB-CE2 3.49Å; H191-F193 VanDerWaalsContact CB-CE2 3.49Å; H191-F193 HydrophobicContact CB-CZ 3.54Å |
| 192 | A | 76.4 | Confident | 65.2 | Low | 29 Ų | 29 | 78.4 Ų | 78.4 | 24% | 0.24 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | S177 F178 | S177-A192 PolarHBondContact N-O 3.11Å; F178-A192 HydrophobicContact CD1-CB 3.74Å; F178-A192 HydrophobicContact CD2-CB 4.36Å; F178-A192 HydrophobicContact CE1-CB 3.42Å; F178-A192 VanDerWaalsContact CE1-CB 3.42Å; F178-A192 HydrophobicContact CE2-CB 4.09Å; F178-A192 HydrophobicContact CG-CB 4.2Å; F178-A192 HydrophobicContact CZ-CB 3.61Å; F178-A192 PolarHBondContact O-N 2.8Å |
| 193 | F | 81.9 | Confident | 66.1 | Low | 60 Ų | 60 | 73.8 Ų | 73.8 | 26% | 0.263 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140.4 | -178.8 | -58.8 | -89.2 | 0 | 0 | 0 | 110.8 | V152 L162 I175 V176 H191 | V152-F193 HydrophobicContact CG1-CE1 4.42Å; V152-F193 HydrophobicContact CG1-CZ 4.37Å; V152-F193 HydrophobicContact CG2-CE1 4.23Å; V152-F193 HydrophobicContact CG2-CZ 3.76Å; L162-F193 HydrophobicContact CB-CD1 3.81Å; L162-F193 HydrophobicContact CB-CE1 3.83Å; L162-F193 HydrophobicContact CB-CG 4.29Å; L162-F193 HydrophobicContact CB-CZ 4.29Å; L162-F193 HydrophobicContact CD2-CD2 4.12Å; L162-F193 HydrophobicContact CD2-CE2 4.38Å; L162-F193 HydrophobicContact CD2-CG 4.23Å; I175-F193 CarbonylContact O-C 3.6Å; I175-F193 WeakPolarHBondContact O-CA 3.37Å; V176-F193 HydrophobicContact CB-CD1 4.21Å; V176-F193 HydrophobicContact CB-CE1 4.13Å; V176-F193 HydrophobicContact CG2-CE1 4.46Å; H191-F193 HydrophobicContact CB-CD2 4.35Å; H191-F193 HydrophobicContact CB-CE1 4.45Å; H191-F193 HydrophobicContact CB-CE2 3.49Å; H191-F193 VanDerWaalsContact CB-CE2 3.49Å; H191-F193 HydrophobicContact CB-CZ 3.54Å |
| 194 | M | 82.1 | Confident | 67.1 | Low | 17 Ų | 17 | 75.2 Ų | 75.2 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 138.2 | 160.3 | -67.8 | -125.9 | 74.4 | 0 | 0 | 109.4 | D115 L116 G174 I175 I196 Y199 | D115-M194 VanDerWaalsContact CA-SD 3.54Å; D115-M194 HydrophobicContact CB-CG 4.22Å; D115-M194 HydrophobicContact CB-SD 3.91Å; D115-M194 PolarHBondContact N-SD 2.79Å; L116-M194 HydrophobicContact CB-SD 3.74Å; G174-M194 WeakPolarHBondContact CA-O 3.1Å; I175-M194 PolarHBondContact N-O 3.35Å; I175-M194 PolarHBondContact O-N 3.48Å; M194-I196 PolarHBondContact O-N 3.49Å; M194-Y199 HydrophobicContact CE-CD2 4.47Å; M194-Y199 HydrophobicContact CE-CE1 4.35Å; M194-Y199 HydrophobicContact CE-CE2 3.5Å; M194-Y199 VanDerWaalsContact CE-CE2 3.5Å; M194-Y199 VanDerWaalsContact CE-CZ 3.43Å; M194-Y199 WeakPolarHBondContact CE-OH 3.49Å |
| 195 | K | 84.1 | Confident | 67.5 | Low | 97 Ų | 97 | 73 Ų | 73 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 99.9 | -177.3 | -65.1 | -172.4 | 175.9 | -163.6 | 0 | 110.9 | E143 P197 Y198 Y199 | E143-K195 VanDerWaalsContact CD-NZ 3.28Å; E143-K195 IonicContact OE1-NZ 3.67Å; E143-K195 PolarHBondContact OE1-NZ 2.92Å; E143-K195 IonicContact OE2-NZ 3.19Å; E143-K195 PolarHBondContact OE2-NZ 3.27Å; K195-P197 VanDerWaalsContact C-CD 3.45Å; K195-P197 VanDerWaalsContact C-N 3.35Å; K195-Y198 WeakPolarHBondContact O-CB 3.3Å; K195-Y198 PolarHBondContact O-N 2.72Å; K195-Y199 VanDerWaalsContact O-CD2 3.26Å; K195-Y199 WeakPolarHBondContact O-CD2 3.32Å |
| 196 | I | 84.8 | Confident | 67.6 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -53.5 | -40.6 | -176.3 | -61.8 | -45.2 | 0 | 0 | 0 | 114.2 | L56 L116 L136 P137 L172 Y173 I175 M194 Y198 Y199 L200 L203 | L56-I196 HydrophobicContact CD2-CD1 3.65Å; L56-I196 HydrophobicContact CD2-CG1 4.2Å; L116-I196 HydrophobicContact CD1-CD1 3.75Å; L116-I196 HydrophobicContact CD2-CD1 4.14Å; L136-I196 HydrophobicContact CD2-CG2 4.05Å; P137-I196 HydrophobicContact CG-CG2 4.21Å; L172-I196 HydrophobicContact CG-CG1 4.35Å; Y173-I196 PolarHBondContact O-N 3.04Å; I175-I196 HydrophobicContact CG1-CD1 4.01Å; M194-I196 PolarHBondContact O-N 3.49Å; I196-Y198 PolarHBondContact O-N 2.9Å; I196-Y199 PolarHBondContact O-N 3.12Å; I196-L200 HydrophobicContact CG2-CD2 4.31Å; I196-L200 PolarHBondContact O-N 3.14Å; I196-L203 HydrophobicContact CG2-CD1 4Å |
| 197 | P | 81.2 | Confident | 67.9 | Low | 34 Ų | 34 | 65.5 Ų | 65.5 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -53.2 | -30.7 | 175.3 | -28.9 | 35.4 | 0 | 0 | 0 | 115 | P137 Y173 K195 Y199 | P137-P197 HydrophobicContact CB-CG 4.3Å; P137-P197 HydrophobicContact CG-CG 3.82Å; Y173-P197 HydrophobicContact CD1-CG 4.15Å; K195-P197 VanDerWaalsContact C-CD 3.45Å; K195-P197 VanDerWaalsContact C-N 3.35Å; P197-Y199 VanDerWaalsContact C-N 3.3Å; P197-Y199 PolarHBondContact O-N 3.47Å |
| 198 | Y | 77.8 | Confident | 68.4 | Low | 184 Ų | 184 | 68.7 Ų | 68.7 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -76.5 | -15.9 | 179.1 | -113.9 | -87.6 | 0 | 0 | 0 | 113.8 | K195 I196 | K195-Y198 WeakPolarHBondContact O-CB 3.3Å; K195-Y198 PolarHBondContact O-N 2.72Å; I196-Y198 PolarHBondContact O-N 2.9Å |
| 199 | Y | 75.4 | Confident | 69.4 | Low | 58 Ų | 58 | 64.5 Ų | 64.5 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -114.1 | 6.6 | -177.4 | -61.1 | -82.4 | 0 | 0 | 0 | 112.7 | E114 L116 M194 K195 I196 P197 K201 W202 L203 | E114-Y199 HydrophobicContact CG-CE1 4.31Å; L116-Y199 HydrophobicContact CD2-CD2 4.34Å; L116-Y199 HydrophobicContact CD2-CG 3.98Å; M194-Y199 HydrophobicContact CE-CD2 4.47Å; M194-Y199 HydrophobicContact CE-CE1 4.35Å; M194-Y199 HydrophobicContact CE-CE2 3.5Å; M194-Y199 VanDerWaalsContact CE-CE2 3.5Å; M194-Y199 VanDerWaalsContact CE-CZ 3.43Å; M194-Y199 WeakPolarHBondContact CE-OH 3.49Å; K195-Y199 VanDerWaalsContact O-CD2 3.26Å; K195-Y199 WeakPolarHBondContact O-CD2 3.32Å; I196-Y199 PolarHBondContact O-N 3.12Å; P197-Y199 VanDerWaalsContact C-N 3.3Å; P197-Y199 PolarHBondContact O-N 3.47Å; Y199-K201 PolarHBondContact O-N 3.03Å; Y199-W202 CarbonylContact O-C 3.58Å; Y199-W202 WeakPolarHBondContact O-CA 3.49Å; Y199-W202 WeakPolarHBondContact O-CB 3.4Å; Y199-W202 PolarHBondContact O-N 2.04Å; Y199-L203 WeakPolarHBondContact O-CG 2.94Å; Y199-L203 PolarHBondContact O-N 3.02Å |
| 200 | L | 75 | Confident | 70.2 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 177.8 | -71.8 | 173.5 | 0 | 0 | 0 | 112.2 | L136 P137 A138 I196 W202 L203 Y204 | L136-L200 HydrophobicContact CB-CD2 4.34Å; P137-L200 HydrophobicContact CG-CD1 4.32Å; P137-L200 HydrophobicContact CG-CD2 4.36Å; P137-L200 VanDerWaalsContact O-CD1 3.26Å; P137-L200 WeakPolarHBondContact O-CD1 3.47Å; P137-L200 WeakPolarHBondContact O-CD2 3.17Å; A138-L200 VanDerWaalsContact O-CD1 3.29Å; A138-L200 WeakPolarHBondContact O-CD1 3.16Å; I196-L200 HydrophobicContact CG2-CD2 4.31Å; I196-L200 PolarHBondContact O-N 3.14Å; L200-W202 PolarHBondContact O-N 3.27Å; L200-L203 HydrophobicContact CD2-CD1 4.26Å; L200-L203 WeakPolarHBondContact O-CA 3.14Å; L200-L203 WeakPolarHBondContact O-CB 3.32Å; L200-L203 PolarHBondContact O-N 2.95Å; L200-Y204 HydrophobicContact CB-CD2 4.24Å; L200-Y204 HydrophobicContact CB-CE2 4.13Å; L200-Y204 HydrophobicContact CD2-CE2 4.26Å; L200-Y204 WeakPolarHBondContact O-CD2 3.29Å; L200-Y204 PolarHBondContact O-N 2.94Å |
| 201 | K | 69.1 | Low | 70.6 | Confident | 116 Ų | 116 | 63.1 Ų | 63.1 | 50% | 0.504 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -24.8 | 176 | -161.6 | 173.5 | -175.3 | -176.5 | 0 | 112.9 | Y199 N205 E347 | Y199-K201 PolarHBondContact O-N 3.03Å; K201-N205 WeakPolarHBondContact O-CB 3.36Å; K201-N205 PolarHBondContact O-N 3.01Å; K201-N205 PolarHBondContact O-OD1 2.55Å; K201-N205 VanDerWaalsContact O-OD1 3.11Å; K201-E347 IonicContact NZ-OE1 3.94Å |
| 202 | W | 67.4 | Low | 71 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80.2 | -34.9 | 172 | 175.6 | 81.2 | 0 | 0 | 0 | 112.4 | F103 L116 I118 Y199 L200 A206 | F103-W202 WeakPolarHBondContact O-CH2 3.49Å; L116-W202 HydrophobicContact CB-CZ3 4.47Å; L116-W202 HydrophobicContact CD2-CE3 4Å; L116-W202 HydrophobicContact CD2-CZ3 3.68Å; L116-W202 HydrophobicContact CG-CZ3 3.98Å; I118-W202 HydrophobicContact CD1-CE3 4.27Å; I118-W202 HydrophobicContact CD1-CH2 3.85Å; I118-W202 HydrophobicContact CD1-CZ3 3.69Å; I118-W202 HydrophobicContact CG1-CH2 3.85Å; I118-W202 HydrophobicContact CG1-CZ3 3.75Å; Y199-W202 CarbonylContact O-C 3.58Å; Y199-W202 WeakPolarHBondContact O-CA 3.49Å; Y199-W202 WeakPolarHBondContact O-CB 3.4Å; Y199-W202 PolarHBondContact O-N 2.04Å; L200-W202 PolarHBondContact O-N 3.27Å; W202-A206 PolarHBondContact O-N 2.84Å |
| 203 | L | 65.5 | Low | 70.8 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 173.7 | -74.2 | 157.8 | 0 | 0 | 0 | 111.9 | L56 I118 I196 Y199 L200 | L56-L203 HydrophobicContact CD1-CD2 3.62Å; I118-L203 HydrophobicContact CD1-CD2 3.65Å; I118-L203 HydrophobicContact CG1-CD2 3.76Å; I196-L203 HydrophobicContact CG2-CD1 4Å; Y199-L203 WeakPolarHBondContact O-CG 2.94Å; Y199-L203 PolarHBondContact O-N 3.02Å; L200-L203 HydrophobicContact CD2-CD1 4.26Å; L200-L203 WeakPolarHBondContact O-CA 3.14Å; L200-L203 WeakPolarHBondContact O-CB 3.32Å; L200-L203 PolarHBondContact O-N 2.95Å |
| 204 | Y | 63.4 | Low | 70.6 | Confident | 103 Ų | 103 | 68.5 Ų | 68.5 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.4 | -44.5 | 176.8 | -69.8 | -60.3 | 0 | 0 | 0 | 112.1 | E139 L200 A206 | E139-Y204 HydrophobicContact CG-CE2 4.21Å; L200-Y204 HydrophobicContact CB-CD2 4.24Å; L200-Y204 HydrophobicContact CB-CE2 4.13Å; L200-Y204 HydrophobicContact CD2-CE2 4.26Å; L200-Y204 WeakPolarHBondContact O-CD2 3.29Å; L200-Y204 PolarHBondContact O-N 2.94Å; Y204-A206 PolarHBondContact O-N 3.48Å |
| 205 | N | 53.8 | Low | 70 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 24.5 | 177.5 | -61.9 | 33.3 | 0 | 0 | 0 | 113.6 | K201 E207 | K201-N205 WeakPolarHBondContact O-CB 3.36Å; K201-N205 PolarHBondContact O-N 3.01Å; K201-N205 PolarHBondContact O-OD1 2.55Å; K201-N205 VanDerWaalsContact O-OD1 3.11Å; N205-E207 PolarHBondContact O-N 2.7Å |
| 206 | A | 48.7 | Very low | 69.4 | Low | 42 Ų | 42 | 68.7 Ų | 68.7 | 35% | 0.347 | 32% | 0.322 | S | S | . | . | trans | -73 | 30 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I118 W202 Y204 | I118-A206 HydrophobicContact CD1-CB 4.44Å; W202-A206 PolarHBondContact O-N 2.84Å; Y204-A206 PolarHBondContact O-N 3.48Å | ||
| 207 | E | 50.2 | Low | 68.6 | Low | 115 Ų | 115 | 75.5 Ų | 75.5 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | trans | -66.4 | 165.3 | 179.3 | -69.8 | -178.6 | 128.6 | 0 | 0 | 112 | N205 C209 | N205-E207 PolarHBondContact O-N 2.7Å; E207-C209 PolarHBondContact O-N 2.83Å; E207-C209 VanDerWaalsContact O-N 3.11Å | ||
| 208 | I | 57.3 | Low | 67.3 | Low | 128 Ų | 128 | 76.8 Ų | 76.8 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -74.3 | -6.5 | -163.7 | -55 | 169.7 | 0 | 0 | 0 | 112.7 | ||
| 209 | C | 73.7 | Confident | 65.9 | Low | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.081 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -107.3 | 158.7 | 178.9 | 62 | 0 | 0 | 0 | 0 | 113.3 | E207 Q211 H262 G339 C341 | E207-C209 PolarHBondContact O-N 2.83Å; E207-C209 VanDerWaalsContact O-N 3.11Å; C209-Q211 PolarHBondContact O-N 3.06Å; C209-H262 HydrophobicContact CB-CB 3.43Å; C209-H262 VanDerWaalsContact CB-CB 3.43Å; C209-H262 VanDerWaalsContact CB-CD2 3.45Å; C209-H262 WeakPolarHBondContact CB-CD2 3.5Å; C209-H262 VanDerWaalsContact CB-CG 3.47Å; C209-G339 WeakPolarHBondContact CA-O 3.35Å; C209-G339 WeakPolarHBondContact CB-O 3.34Å; C209-C341 HydrophobicContact CB-CB 4.18Å; C209-C341 WeakPolarHBondContact CB-SG 3.46Å; C209-C341 PolarHBondContact O-SG 2.95Å; C209-C341 VanDerWaalsContact O-SG 3.36Å; C209-C341 WeakPolarHBondContact SG-CB 3.48Å; C209-C341 CovalentContact SG-SG 2.04Å; C209-C341 PolarHBondContact SG-SG 2.04Å |
| 210 | G | 72.4 | Confident | 64.6 | Low | 21 Ų | 21 | 74.5 Ų | 74.5 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 68.1 | -5.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | P212 W241 G339 | G210-P212 WeakPolarHBondContact O-CD 3.06Å; G210-W241 WeakPolarHBondContact O-CH2 3.42Å; G210-W241 WeakPolarHBondContact O-CZ3 3.48Å; G210-G339 PolarHBondContact N-O 3.14Å |
| 211 | Q | 71.9 | Confident | 63 | Low | 78 Ų | 78 | 80 Ų | 80 | 36% | 0.364 | 41% | 0.405 | S | S | . | . | trans | -96.8 | 104.7 | 175 | -64.3 | -60 | -32.5 | 0 | 0 | 110.8 | C209 Q338 | C209-Q211 PolarHBondContact O-N 3.06Å; Q211-Q338 PolarHBondContact O-NE2 2.92Å; Q211-Q338 PolarHBondContact O-OE1 3.26Å | ||
| 212 | P | 79.2 | Confident | 61.4 | Low | 20 Ų | 20 | 84.9 Ų | 84.9 | 13% | 0.13 | 42% | 0.42 | C | S | . | . | trans | -79.7 | 136.3 | -178 | 32.8 | -33.8 | 0 | 0 | 0 | 111.2 | G210 Y214 P240 W241 | G210-P212 WeakPolarHBondContact O-CD 3.06Å; P212-Y214 VanDerWaalsContact C-N 3.28Å; P212-Y214 PolarHBondContact O-N 2.94Å; P212-P240 HydrophobicContact CB-CG 3.82Å; P212-W241 HydrophobicContact CB-CH2 4.11Å; P212-W241 HydrophobicContact CB-CZ3 4.02Å; P212-W241 HydrophobicContact CG-CH2 3.98Å; P212-W241 HydrophobicContact CG-CZ3 4.29Å | ||
| 213 | Y | 72.5 | Confident | 59.9 | Low | 168 Ų | 168 | 88 Ų | 88 | 66% | 0.659 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -57.4 | -42 | 174.9 | -174.5 | -96.8 | 0 | 0 | 0 | 112.1 | E335 Q338 | Y213-E335 HydrophobicContact CD1-CB 3.82Å; Y213-E335 HydrophobicContact CE1-CB 4.4Å; Y213-E335 HydrophobicContact CG-CB 3.98Å; Y213-Q338 VanDerWaalsContact N-OE1 3.11Å |
| 214 | Y | 76.9 | Confident | 58.5 | Low | 64 Ų | 64 | 95 Ų | 95 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -93.7 | 101.9 | 171.6 | -60.1 | -76.9 | 0 | 0 | 0 | 110.1 | P212 H237 S238 E335 F336 | P212-Y214 VanDerWaalsContact C-N 3.28Å; P212-Y214 PolarHBondContact O-N 2.94Å; Y214-H237 HydrophobicContact CD2-CB 3.77Å; Y214-H237 HydrophobicContact CE2-CB 4.15Å; Y214-S238 WeakPolarHBondContact O-CA 3.44Å; Y214-S238 WeakPolarHBondContact O-CB 3.28Å; Y214-E335 HydrophobicContact CE2-CB 4.04Å; Y214-E335 HydrophobicContact CE2-CG 4.1Å; Y214-F336 HydrophobicContact CE2-CD1 4.33Å; Y214-F336 HydrophobicContact CE2-CE1 4.12Å |
| 215 | K | 70.4 | Confident | 57.3 | Low | 84 Ų | 84 | 94.1 Ų | 94.1 | 37% | 0.365 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61 | 134.3 | 177.5 | -67.5 | -165.3 | 174.8 | -163.9 | 0 | 112.6 | A104 R235 | A104-K215 PolarHBondContact O-NZ 2.85Å; K215-R235 WeakPolarHBondContact O-CD 3.29Å; K215-R235 PolarHBondContact O-NH1 3.39Å |
| 216 | P | 71.5 | Confident | 56.5 | Low | 34 Ų | 34 | 93.2 Ų | 93.2 | 22% | 0.221 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -66 | 164.7 | 178 | 26.7 | -34.9 | 0 | 0 | 0 | 113.1 | M357 | P216-M357 HydrophobicContact CB-CE 4.33Å; P216-M357 HydrophobicContact CB-SD 3.7Å; P216-M357 HydrophobicContact CG-CE 3.9Å; P216-M357 HydrophobicContact CG-SD 3.45Å; P216-M357 WeakPolarHBondContact CG-SD 3.24Å |
| 217 | Y | 67.6 | Low | 55.6 | Low | 142 Ų | 142 | 95.6 Ų | 95.6 | 56% | 0.557 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 131.4 | 174.7 | -64.5 | -53.6 | 0 | 0 | 0 | 111.1 | V232 R235 | Y217-V232 HydrophobicContact CD2-CG2 4.44Å; Y217-R235 HydrophobicContact CD2-CB 4.01Å; Y217-R235 HydrophobicContact CE1-CB 4.31Å; Y217-R235 HydrophobicContact CE1-CG 4.46Å; Y217-R235 HydrophobicContact CE2-CB 3.71Å; Y217-R235 HydrophobicContact CE2-CG 4.45Å; Y217-R235 HydrophobicContact CG-CB 4.43Å |
| 218 | L | 54.1 | Low | 55.4 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 32% | 0.319 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 147 | 169.8 | -64.2 | 177 | 0 | 0 | 0 | 110.9 | E106 T220 M357 | E106-L218 HydrophobicContact CB-CD1 4.49Å; E106-L218 VanDerWaalsContact CD-CD2 3.49Å; E106-L218 HydrophobicContact CG-CD1 4.2Å; E106-L218 WeakPolarHBondContact OE1-CD2 3.18Å; E106-L218 WeakPolarHBondContact OE2-CD1 3.46Å; E106-L218 WeakPolarHBondContact OE2-CD2 3.43Å; L218-T220 PolarHBondContact O-N 3.25Å; L218-M357 HydrophobicContact CD2-CE 4.11Å |
| 219 | P | 48.8 | Very low | 54.6 | Low | 105 Ų | 105 | 90.2 Ų | 90.2 | 68% | 0.682 | 47% | 0.468 | S | S | * | . | trans | -69.7 | 75.1 | 174.7 | 29.6 | -35.1 | 0 | 0 | 0 | 111.4 | ||||
| 220 | T | 46.7 | Very low | 53.3 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | trans | -73.6 | 131.8 | 165.6 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | L218 R222 | L218-T220 PolarHBondContact O-N 3.25Å; T220-R222 PolarHBondContact O-N 2.91Å | ||
| 221 | S | 40.9 | Very low | 52.5 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 83% | 0.832 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 33.7 | -157.9 | 79.8 | 0 | 0 | 0 | 0 | 116.3 | ||
| 222 | R | 35.7 | Very low | 52.2 | Low | 217 Ų | 217 | 95.2 Ų | 95.2 | 82% | 0.819 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 1.1 | -163.6 | -72.5 | -165 | 174.1 | -163.6 | -5.2 | 118.3 | T220 | T220-R222 PolarHBondContact O-N 2.91Š|
| 223 | H | 37.6 | Very low | 52 | Low | 145 Ų | 145 | 98.9 Ų | 98.9 | 67% | 0.671 | 51% | 0.514 | S | S | * | . | trans | -117.2 | 94.2 | 174.5 | -84.6 | -80.4 | 0 | 0 | 0 | 112.9 | S225 V232 | H223-S225 PolarHBondContact O-N 2.95Å; H223-V232 HydrophobicContact CB-CG1 4.5Å | ||
| 224 | L | 35.3 | Very low | 52.1 | Low | 166 Ų | 166 | 92.7 Ų | 92.7 | 87% | 0.869 | 50% | 0.498 | S | S | * | . | trans | -89.4 | 87.7 | 170.2 | -72.1 | 160.2 | 0 | 0 | 0 | 109.3 | ||||
| 225 | S | 38.9 | Very low | 52.2 | Low | 86 Ų | 86 | 94.4 Ų | 94.4 | 60% | 0.601 | 50% | 0.504 | S | S | * | . | trans | -152 | 124.5 | 165 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | H223 | H223-S225 PolarHBondContact O-N 2.95Š| ||
| 226 | S | 35.5 | Very low | 52.8 | Low | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 51% | 0.506 | S | S | . | . | trans | -67.4 | 142 | -162.3 | 172.3 | 0 | 0 | 0 | 0 | 115.5 | D365 | S226-D365 PolarHBondContact OG-O 2.95Š| ||
| 227 | R | 30.2 | Very low | 53.3 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -145.9 | -41.5 | 138.8 | -115.6 | -167.6 | 171.4 | -176.6 | -6.2 | 113 | G231 L364 | R227-G231 PolarHBondContact N-O 3.4Å; R227-L364 HydrophobicContact CB-CD2 4.39Å; R227-L364 HydrophobicContact CG-CD1 3.97Å; R227-L364 HydrophobicContact CG-CD2 4.02Å; R227-L364 HydrophobicContact CG-CG 4.43Å; R227-L364 WeakPolarHBondContact O-CA 3.07Å; R227-L364 WeakPolarHBondContact O-CB 3.36Å; R227-L364 VanDerWaalsContact O-CD2 3.27Å; R227-L364 WeakPolarHBondContact O-CD2 3.26Å |
| 228 | I | 46.3 | Very low | 54.2 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 35% | 0.349 | 47% | 0.474 | S | S | . | . | B | Isolated β-bridge | trans | -95.1 | 153.4 | 159.1 | -62.2 | 175.9 | 0 | 0 | 0 | 106.5 | N230 G231 | I228-N230 PolarHBondContact O-N 3.41Å; I228-G231 PolarHBondContact O-N 2.86Å; I228-G231 VanDerWaalsContact O-O 3.06Å |
| 229 | A | 40.8 | Very low | 55.9 | Low | 62 Ų | 62 | 86.1 Ų | 86.1 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 114.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G231 | A229-G231 PolarHBondContact O-N 2.98Š|
| 230 | N | 45.3 | Very low | 57.9 | Low | 130 Ų | 130 | 81.3 Ų | 81.3 | 70% | 0.695 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 6.2 | -168.6 | -62.4 | -40.9 | 0 | 0 | 0 | 116.8 | I228 | I228-N230 PolarHBondContact O-N 3.41Š|
| 231 | G | 57.6 | Low | 60.1 | Low | 23 Ų | 23 | 79 Ų | 79 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -94.3 | 150.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R227 I228 A229 | R227-G231 PolarHBondContact N-O 3.4Å; I228-G231 PolarHBondContact O-N 2.86Å; I228-G231 VanDerWaalsContact O-O 3.06Å; A229-G231 PolarHBondContact O-N 2.98Å |
| 232 | V | 65.1 | Low | 62.7 | Low | 63 Ų | 63 | 74.5 Ų | 74.5 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -88.5 | 163.6 | 172.3 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | Y217 H223 A234 | Y217-V232 HydrophobicContact CD2-CG2 4.44Å; H223-V232 HydrophobicContact CB-CG1 4.5Å; V232-A234 PolarHBondContact O-N 3.03Å |
| 233 | E | 73.4 | Confident | 65.5 | Low | 97 Ų | 97 | 64.1 Ų | 64.1 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 125.1 | 168.3 | -169.7 | -177.4 | 176.6 | 0 | 0 | 109.6 | R235 H291 | E233-R235 PolarHBondContact O-N 2.83Å; E233-H291 IonicContact OE1-CD2 2.7Å; E233-H291 IonicContact OE1-CE1 3.87Å; E233-H291 IonicContact OE1-NE2 2.69Å; E233-H291 PolarHBondContact OE1-NE2 3.35Å |
| 234 | A | 75.6 | Confident | 68.2 | Low | 38 Ų | 38 | 57.2 Ų | 57.2 | 31% | 0.314 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V232 K236 H291 | V232-A234 PolarHBondContact O-N 3.03Å; A234-K236 PolarHBondContact O-N 3.11Å; A234-H291 PolarHBondContact O-CE1 3.19Å; A234-H291 VanDerWaalsContact O-CE1 3.32Å |
| 235 | R | 79.8 | Confident | 70.9 | Confident | 100 Ų | 100 | 49.3 Ų | 49.3 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.6 | 173.7 | -179.2 | -170.5 | -175 | 178.4 | 0.9 | 108.5 | K215 Y217 E233 H237 S238 | K215-R235 WeakPolarHBondContact O-CD 3.29Å; K215-R235 PolarHBondContact O-NH1 3.39Å; Y217-R235 HydrophobicContact CD2-CB 4.01Å; Y217-R235 HydrophobicContact CE1-CB 4.31Å; Y217-R235 HydrophobicContact CE1-CG 4.46Å; Y217-R235 HydrophobicContact CE2-CB 3.71Å; Y217-R235 HydrophobicContact CE2-CG 4.45Å; Y217-R235 HydrophobicContact CG-CB 4.43Å; E233-R235 PolarHBondContact O-N 2.83Å; R235-H237 PolarHBondContact O-N 2.94Å; R235-H237 VanDerWaalsContact O-N 3.17Å; R235-S238 VanDerWaalsContact O-CB 3.25Å; R235-S238 WeakPolarHBondContact O-CB 3.18Å; R235-S238 PolarHBondContact O-N 3.36Å; R235-S238 PolarHBondContact O-OG 2.04Å; R235-S238 VanDerWaalsContact O-OG 3.08Å |
| 236 | K | 82.6 | Confident | 73.3 | Confident | 97 Ų | 97 | 47.3 Ų | 47.3 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 125.2 | -176.2 | -153.3 | -162.8 | -179.3 | -154.6 | 0 | 110.4 | A234 S238 H291 D297 | A234-K236 PolarHBondContact O-N 3.11Å; K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 3.03Å; K236-H291 HydrophobicContact CG-CB 3.95Å; K236-D297 IonicContact NZ-OD2 2.8Å; K236-D297 PolarHBondContact NZ-OD2 2.95Å |
| 237 | H | 81.7 | Confident | 75.7 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 18.2 | -178.2 | -46.2 | -70.2 | 0 | 0 | 0 | 116.7 | Y214 R235 H239 F336 | Y214-H237 HydrophobicContact CD2-CB 3.77Å; Y214-H237 HydrophobicContact CE2-CB 4.15Å; R235-H237 PolarHBondContact O-N 2.94Å; R235-H237 VanDerWaalsContact O-N 3.17Å; H237-H239 VanDerWaalsContact C-N 3.27Å; H237-H239 PolarHBondContact O-N 2.95Å; H237-F336 HydrophobicContact CB-CD1 4Å; H237-F336 AromaticContact CD2-CD1 3.59Å; H237-F336 AromaticContact CD2-CE1 3.74Å; H237-F336 AromaticContact CE1-CD1 3.88Å; H237-F336 AromaticContact CG-CD1 3.51Å; H237-F336 AromaticContact ND1-CD1 3.71Å; H237-F336 AromaticContact NE2-CD1 3.86Å; H237-F336 AromaticContact NE2-CE1 3.97Å |
| 238 | S | 86 | Confident | 78 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -79.1 | -2.9 | 179.9 | 78.1 | 0 | 0 | 0 | 0 | 116.2 | Y214 R235 K236 P240 | Y214-S238 WeakPolarHBondContact O-CA 3.44Å; Y214-S238 WeakPolarHBondContact O-CB 3.28Å; R235-S238 VanDerWaalsContact O-CB 3.25Å; R235-S238 WeakPolarHBondContact O-CB 3.18Å; R235-S238 PolarHBondContact O-N 3.36Å; R235-S238 PolarHBondContact O-OG 2.04Å; R235-S238 VanDerWaalsContact O-OG 3.08Å; K236-S238 VanDerWaalsContact C-N 3.28Å; K236-S238 PolarHBondContact O-N 3.03Å; S238-P240 VanDerWaalsContact C-CD 3.45Å |
| 239 | H | 90 | Very high | 79.4 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 15% | 0.153 | 24% | 0.235 | C | C | . | . | trans | -126.8 | 68.1 | 174.5 | -59.8 | 93.8 | 0 | 0 | 0 | 108.3 | H237 W241 Q242 A359 | H237-H239 VanDerWaalsContact C-N 3.27Å; H237-H239 PolarHBondContact O-N 2.95Å; H239-W241 PolarHBondContact O-N 3.49Å; H239-W241 VanDerWaalsContact O-N 3.14Å; H239-Q242 HydrophobicContact CB-CB 4.28Å; H239-Q242 WeakPolarHBondContact O-CB 3.49Å; H239-Q242 PolarHBondContact O-N 3.08Å; H239-A359 HydrophobicContact CB-CB 4.4Å | ||
| 240 | P | 90.9 | Very high | 81 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -8.2 | -169 | 29.8 | -37.1 | 0 | 0 | 0 | 114.3 | P212 S238 I337 Q338 | P212-P240 HydrophobicContact CB-CG 3.82Å; S238-P240 VanDerWaalsContact C-CD 3.45Å; P240-I337 WeakPolarHBondContact O-CA 3.47Å; P240-Q338 CarbonylContact C-O 3.5Å; P240-Q338 HydrophobicContact CB-CB 4.03Å; P240-Q338 HydrophobicContact CB-CG 4.08Å; P240-Q338 HydrophobicContact CG-CB 3.89Å; P240-Q338 HydrophobicContact CG-CG 4.07Å; P240-Q338 PolarHBondContact O-N 2.78Å; P240-Q338 VanDerWaalsContact O-N 3.07Å |
| 241 | W | 93.5 | Very high | 82.3 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9.4 | 169.9 | 46.2 | 80.8 | 0 | 0 | 0 | 113.5 | G210 P212 H239 A243 S259 L260 Q338 V340 | G210-W241 WeakPolarHBondContact O-CH2 3.42Å; G210-W241 WeakPolarHBondContact O-CZ3 3.48Å; P212-W241 HydrophobicContact CB-CH2 4.11Å; P212-W241 HydrophobicContact CB-CZ3 4.02Å; P212-W241 HydrophobicContact CG-CH2 3.98Å; P212-W241 HydrophobicContact CG-CZ3 4.29Å; H239-W241 PolarHBondContact O-N 3.49Å; H239-W241 VanDerWaalsContact O-N 3.14Å; W241-A243 PolarHBondContact O-N 3.17Å; W241-S259 CarbonylContact O-C 3.53Å; W241-S259 WeakPolarHBondContact O-CA 3.26Å; W241-L260 PolarHBondContact O-N 3.32Å; W241-Q338 WeakPolarHBondContact CA-O 3.42Å; W241-Q338 WeakPolarHBondContact CB-O 3.45Å; W241-Q338 PolarHBondContact N-O 2.84Å; W241-V340 HydrophobicContact CB-CB 3.94Å; W241-V340 HydrophobicContact CB-CG1 4.33Å; W241-V340 HydrophobicContact CD2-CB 3.99Å; W241-V340 HydrophobicContact CD2-CG2 4.35Å; W241-V340 HydrophobicContact CE3-CB 4.33Å; W241-V340 HydrophobicContact CG-CB 3.81Å; W241-V340 HydrophobicContact CG-CG1 4.41Å |
| 242 | Q | 94.1 | Very high | 82.8 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 120 | -175.5 | -164.1 | 81.7 | 24.9 | 0 | 0 | 110.9 | H239 A359 W361 | H239-Q242 HydrophobicContact CB-CB 4.28Å; H239-Q242 WeakPolarHBondContact O-CB 3.49Å; H239-Q242 PolarHBondContact O-N 3.08Å; Q242-A359 PolarHBondContact NE2-O 3.13Å; Q242-A359 PolarHBondContact OE1-O 2.97Å; Q242-W361 HydrophobicContact CB-CH2 3.87Å; Q242-W361 HydrophobicContact CB-CZ3 4.42Å; Q242-W361 HydrophobicContact CG-CE3 4.28Å; Q242-W361 HydrophobicContact CG-CH2 3.24Å; Q242-W361 HydrophobicContact CG-CZ2 4.01Å; Q242-W361 HydrophobicContact CG-CZ3 3.4Å |
| 243 | A | 94.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | W241 G257 G258 I272 V286 L288 | W241-A243 PolarHBondContact O-N 3.17Å; A243-G257 CarbonylContact O-C 3.54Å; A243-G258 WeakPolarHBondContact CB-O 3.37Å; A243-G258 PolarHBondContact N-O 3.2Å; A243-G258 PolarHBondContact O-N 2.95Å; A243-I272 HydrophobicContact CB-CD1 4.04Å; A243-I272 HydrophobicContact CB-CG2 4.01Å; A243-V286 HydrophobicContact CB-CG1 4.02Å; A243-L288 HydrophobicContact CB-CD2 3.72Å |
| 244 | L | 94.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 118.5 | 172.9 | 179 | 76.6 | 0 | 0 | 0 | 108.3 | H246 V255 V286 Y287 V290 T293 F296 W361 | L244-H246 WeakPolarHBondContact CD2-NE2 3.41Å; L244-V255 HydrophobicContact CD1-CG1 3.44Å; L244-V255 VanDerWaalsContact CD1-CG1 3.44Å; L244-V255 HydrophobicContact CG-CG1 4.43Å; L244-V286 CarbonylContact O-C 3.56Å; L244-V286 WeakPolarHBondContact O-CA 3.14Å; L244-Y287 PolarHBondContact N-O 2.75Å; L244-Y287 PolarHBondContact O-N 2.75Å; L244-V290 HydrophobicContact CB-CG2 4.29Å; L244-V290 HydrophobicContact CD2-CG1 4.32Å; L244-V290 HydrophobicContact CD2-CG2 4.19Å; L244-T293 HydrophobicContact CD1-CG2 3.88Å; L244-T293 HydrophobicContact CD2-CG2 3.98Å; L244-F296 HydrophobicContact CD2-CE1 3.97Å; L244-F296 HydrophobicContact CD2-CZ 3.89Å; L244-W361 HydrophobicContact CB-CE3 4.05Å; L244-W361 HydrophobicContact CB-CH2 4.15Å; L244-W361 HydrophobicContact CB-CZ3 3.65Å; L244-W361 HydrophobicContact CD1-CB 4.48Å; L244-W361 HydrophobicContact CD1-CD2 4.04Å; L244-W361 HydrophobicContact CD1-CE3 3.56Å; L244-W361 HydrophobicContact CD1-CG 4.45Å; L244-W361 HydrophobicContact CD1-CZ3 4.09Å; L244-W361 HydrophobicContact CG-CE3 4.43Å |
| 245 | I | 92.9 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 108.8 | -177.7 | -56.1 | -177.3 | 0 | 0 | 0 | 107.9 | V255 C256 G257 I272 T274 V284 L325 | I245-V255 WeakPolarHBondContact O-CA 3.44Å; I245-C256 HydrophobicContact CB-CB 4Å; I245-C256 WeakPolarHBondContact CB-O 3.45Å; I245-C256 HydrophobicContact CG2-CB 4.44Å; I245-C256 PolarHBondContact N-O 2.61Å; I245-C256 PolarHBondContact O-N 2.83Å; I245-G257 WeakPolarHBondContact CD1-O 3.09Å; I245-I272 HydrophobicContact CD1-CG2 4.36Å; I245-T274 HydrophobicContact CD1-CG2 3.79Å; I245-T274 WeakPolarHBondContact CD1-OG1 3.49Å; I245-V284 HydrophobicContact CG2-CG1 3.49Å; I245-V284 VanDerWaalsContact CG2-CG1 3.49Å; I245-L325 HydrophobicContact CD1-CD1 4.13Å |
| 246 | H | 89 | Confident | 84.3 | Confident | 43 Ų | 43 | 52 Ų | 52 | 20% | 0.199 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.2 | 169.9 | -78.9 | -160.5 | 0 | 0 | 0 | 109.4 | L244 I253 V284 K285 Y287 | L244-H246 WeakPolarHBondContact CD2-NE2 3.41Å; H246-I253 HydrophobicContact CB-CG2 4.44Å; H246-V284 CarbonylContact O-C 3.53Å; H246-V284 WeakPolarHBondContact O-CA 3.16Å; H246-K285 HydrophobicContact CB-CB 4.47Å; H246-K285 PolarHBondContact N-O 2.89Å; H246-K285 PolarHBondContact O-N 3.08Å; H246-Y287 HydrophobicContact CB-CE2 3.97Å; H246-Y287 AromaticContact CG-CE2 3.64Å; H246-Y287 AromaticContact ND1-CE2 3.53Å |
| 247 | R | 85.7 | Confident | 84.8 | Confident | 25 Ų | 25 | 49 Ų | 49 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 111.1 | 178.7 | 178.3 | 165.3 | 154.2 | -161.6 | -10.2 | 109.9 | F249 I253 G254 H277 C278 L280 N281 H283 V284 | R247-F249 HydrophobicContact CG-CE2 4Å; R247-F249 HydrophobicContact CG-CZ 4.15Å; R247-F249 VanDerWaalsContact CZ-CZ 3.42Å; R247-I253 CarbonylContact O-C 3.56Å; R247-I253 WeakPolarHBondContact O-CA 3.41Å; R247-G254 PolarHBondContact N-O 2.88Å; R247-G254 PolarHBondContact O-N 3.32Å; R247-H277 PolarHBondContact NH1-O 2.97Å; R247-C278 WeakPolarHBondContact CD-O 3.47Å; R247-C278 PolarHBondContact NH1-O 2.95Å; R247-L280 VanDerWaalsContact CZ-O 3.3Å; R247-L280 VanDerWaalsContact NH2-C 3.31Å; R247-L280 PolarHBondContact NH2-O 3.14Å; R247-N281 PolarHBondContact NE-O 2.76Å; R247-N281 PolarHBondContact NH2-O 3.25Å; R247-H283 WeakPolarHBondContact CA-O 3.5Å; R247-V284 HydrophobicContact CG-CG2 4.49Å |
| 248 | Q | 78.4 | Confident | 85.4 | Confident | 97 Ų | 97 | 48.6 Ų | 48.6 | 45% | 0.453 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 120.8 | 179.3 | -170.3 | 68 | 56.2 | 0 | 0 | 109.8 | G282 H283 | Q248-G282 WeakPolarHBondContact O-CA 3.1Å; Q248-H283 HydrophobicContact CB-CB 4.43Å; Q248-H283 PolarHBondContact N-O 3.23Å; Q248-H283 PolarHBondContact O-N 3.48Å; Q248-H283 VanDerWaalsContact O-N 3.16Å |
| 249 | F | 75.3 | Confident | 85.8 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 25% | 0.254 | 27% | 0.273 | S | S | . | . | trans | -104.3 | 174.2 | 160.4 | -54.7 | -93.8 | 0 | 0 | 0 | 109.1 | R247 H252 N281 | R247-F249 HydrophobicContact CG-CE2 4Å; R247-F249 HydrophobicContact CG-CZ 4.15Å; R247-F249 VanDerWaalsContact CZ-CZ 3.42Å; F249-H252 WeakPolarHBondContact CA-O 3.45Å; F249-H252 WeakPolarHBondContact CB-O 3.34Å; F249-H252 AromaticContact CD2-CD2 3.93Å; F249-H252 AromaticContact CD2-CE1 3.82Å; F249-H252 AromaticContact CD2-NE2 3.58Å; F249-H252 AromaticContact CE2-NE2 3.73Å; F249-H252 AromaticContact CG-CE1 3.96Å; F249-H252 PolarHBondContact N-O 2.82Å; F249-N281 WeakPolarHBondContact CE1-O 3.45Å | ||
| 250 | D | 75.3 | Confident | 86.1 | Confident | 166 Ų | 166 | 48.8 Ų | 48.8 | 89% | 0.888 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -64.9 | -43.4 | 177.1 | -57.7 | -48.7 | 0 | 0 | 0 | 111.7 | ||
| 251 | D | 73.1 | Confident | 86.1 | Confident | 157 Ų | 157 | 49.1 Ų | 49.1 | 84% | 0.84 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -93.4 | -22.5 | -173.5 | -55.4 | -36.2 | 0 | 0 | 0 | 114.6 | ||
| 252 | H | 68.6 | Low | 85.6 | Confident | 107 Ų | 107 | 48.6 Ų | 48.6 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | trans | -160.3 | 171.6 | -171.7 | 66.1 | -73.4 | 0 | 0 | 0 | 113.2 | F249 | F249-H252 WeakPolarHBondContact CA-O 3.45Å; F249-H252 WeakPolarHBondContact CB-O 3.34Å; F249-H252 AromaticContact CD2-CD2 3.93Å; F249-H252 AromaticContact CD2-CE1 3.82Å; F249-H252 AromaticContact CD2-NE2 3.58Å; F249-H252 AromaticContact CE2-NE2 3.73Å; F249-H252 AromaticContact CG-CE1 3.96Å; F249-H252 PolarHBondContact N-O 2.82Å | ||
| 253 | I | 72.7 | Confident | 84.5 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118 | 174 | -57.9 | 178.7 | 0 | 0 | 0 | 108.6 | H246 R247 | H246-I253 HydrophobicContact CB-CG2 4.44Å; R247-I253 CarbonylContact O-C 3.56Å; R247-I253 WeakPolarHBondContact O-CA 3.41Å |
| 254 | G | 77.8 | Confident | 83.1 | Confident | 19 Ų | 19 | 61.9 Ų | 61.9 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 145.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | R247 | R247-G254 PolarHBondContact N-O 2.88Å; R247-G254 PolarHBondContact O-N 3.32Å |
| 255 | V | 84.8 | Confident | 81.4 | Confident | 80 Ų | 80 | 71.3 Ų | 71.3 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128.2 | 177.5 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | L244 I245 | L244-V255 HydrophobicContact CD1-CG1 3.44Å; L244-V255 VanDerWaalsContact CD1-CG1 3.44Å; L244-V255 HydrophobicContact CG-CG1 4.43Å; I245-V255 WeakPolarHBondContact O-CA 3.44Å |
| 256 | C | 90 | Very high | 80.1 | Confident | 31 Ų | 31 | 72.8 Ų | 72.8 | 21% | 0.209 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 163.1 | 177.5 | -89.4 | 0 | 0 | 0 | 0 | 111.6 | I245 C278 | I245-C256 HydrophobicContact CB-CB 4Å; I245-C256 WeakPolarHBondContact CB-O 3.45Å; I245-C256 HydrophobicContact CG2-CB 4.44Å; I245-C256 PolarHBondContact N-O 2.61Å; I245-C256 PolarHBondContact O-N 2.83Å; C256-C278 HydrophobicContact CB-CB 3.63Å; C256-C278 WeakPolarHBondContact CB-SG 3.39Å; C256-C278 VanDerWaalsContact SG-CA 3.55Å; C256-C278 WeakPolarHBondContact SG-CB 3.3Å; C256-C278 CovalentContact SG-SG 2.04Å; C256-C278 PolarHBondContact SG-SG 3.28Å |
| 257 | G | 91.9 | Very high | 79.5 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 156.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A243 I245 T274 | A243-G257 CarbonylContact O-C 3.54Å; I245-G257 WeakPolarHBondContact CD1-O 3.09Å; G257-T274 PolarHBondContact O-OG1 3.21Å |
| 258 | G | 94.4 | Very high | 79.4 | Confident | 7 Ų | 7 | 75.7 Ų | 75.7 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 177.8 | 165 | 0 | 0 | 0 | 0 | 0 | 111.3 | A243 L273 | A243-G258 WeakPolarHBondContact CB-O 3.37Å; A243-G258 PolarHBondContact N-O 3.2Å; A243-G258 PolarHBondContact O-N 2.95Å; G258-L273 CarbonylContact C-O 3.56Å; G258-L273 WeakPolarHBondContact CA-O 3.11Å |
| 259 | S | 95.3 | Very high | 80 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.8 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 111 | W241 I261 I272 L273 | W241-S259 CarbonylContact O-C 3.53Å; W241-S259 WeakPolarHBondContact O-CA 3.26Å; S259-I261 PolarHBondContact O-N 2.92Å; S259-I272 CarbonylContact O-C 3.42Å; S259-I272 WeakPolarHBondContact O-CA 3.45Å; S259-L273 PolarHBondContact N-O 2.93Å; S259-L273 PolarHBondContact O-N 2.84Å |
| 260 | L | 94.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 116.3 | 169.2 | -177.4 | 68.4 | 0 | 0 | 0 | 109.4 | W241 I272 L288 Y333 I337 G339 V340 | W241-L260 PolarHBondContact O-N 3.32Å; L260-I272 HydrophobicContact CB-CD1 4.07Å; L260-I272 HydrophobicContact CD1-CD1 3.67Å; L260-I272 HydrophobicContact CG-CD1 4.5Å; L260-L288 HydrophobicContact CB-CD2 4.17Å; L260-L288 HydrophobicContact CD1-CD1 4.24Å; L260-L288 HydrophobicContact CD2-CD1 4.11Å; L260-L288 HydrophobicContact CD2-CD2 4.47Å; L260-Y333 HydrophobicContact CD2-CE1 4.03Å; L260-I337 HydrophobicContact CD2-CG2 3.63Å; L260-G339 CarbonylContact O-C 3.58Å; L260-G339 WeakPolarHBondContact O-CA 3.43Å; L260-V340 PolarHBondContact O-N 2.9Å |
| 261 | I | 91.3 | Very high | 81.7 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 6% | 0.056 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -86.4 | 136.2 | -177.4 | -62.2 | -59.4 | 0 | 0 | 0 | 110 | S259 S269 L271 L273 V340 L342 | S259-I261 PolarHBondContact O-N 2.92Å; I261-S269 WeakPolarHBondContact O-CB 3.49Å; I261-S269 PolarHBondContact O-OG 3.22Å; I261-L271 HydrophobicContact CB-CB 4.3Å; I261-L271 PolarHBondContact N-O 2.82Å; I261-L273 HydrophobicContact CD1-CB 3.78Å; I261-L273 HydrophobicContact CD1-CD2 4.18Å; I261-L273 HydrophobicContact CG1-CB 3.81Å; I261-V340 HydrophobicContact CD1-CG1 4.05Å; I261-L342 HydrophobicContact CD1-CD2 3.98Å; I261-L342 HydrophobicContact CD1-CG 4.15Å; I261-L342 HydrophobicContact CG2-CD1 3.65Å; I261-L342 HydrophobicContact CG2-CG 3.72Å |
| 262 | H | 84.1 | Confident | 82.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 135.4 | 165.5 | -174.7 | 63.8 | 0 | 0 | 0 | 110.8 | C209 K264 S266 Y333 V340 | C209-H262 HydrophobicContact CB-CB 3.43Å; C209-H262 VanDerWaalsContact CB-CB 3.43Å; C209-H262 VanDerWaalsContact CB-CD2 3.45Å; C209-H262 WeakPolarHBondContact CB-CD2 3.5Å; C209-H262 VanDerWaalsContact CB-CG 3.47Å; H262-K264 PolarHBondContact CE1-O 2.82Å; H262-K264 PolarHBondContact NE2-O 2.95Å; H262-K264 VanDerWaalsContact NE2-O 3.07Å; H262-S266 PolarHBondContact CE1-O 3.48Å; H262-Y333 WeakPolarHBondContact CA-OH 3.48Å; H262-Y333 AromaticContact ND1-CE2 3.49Å; H262-Y333 WeakPolarHBondContact ND1-CE2 3.46Å; H262-Y333 AromaticContact ND1-CZ 3.66Å; H262-Y333 PolarHBondContact ND1-OH 3.01Å; H262-V340 PolarHBondContact N-O 2.84Å |
| 263 | W | 70.6 | Confident | 84 | Confident | 147 Ų | 147 | 53.7 Ų | 53.7 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | trans | -141.6 | 104.4 | -179.1 | -176.1 | -102.9 | 0 | 0 | 0 | 111.5 | L271 | W263-L271 HydrophobicContact CB-CD1 4.25Å; W263-L271 HydrophobicContact CG-CD1 4.3Å | ||
| 264 | K | 64.6 | Low | 85.1 | Confident | 157 Ų | 157 | 50 Ų | 50 | 68% | 0.683 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 60.7 | 175.3 | -174.7 | -55.7 | -173.1 | 174.9 | -170.4 | 0 | 113.6 | H262 S266 | H262-K264 PolarHBondContact CE1-O 2.82Å; H262-K264 PolarHBondContact NE2-O 2.95Å; H262-K264 VanDerWaalsContact NE2-O 3.07Å; K264-S266 PolarHBondContact O-N 2.8Å |
| 265 | E | 59.4 | Low | 85.8 | Confident | 199 Ų | 199 | 50.2 Ų | 50.2 | 93% | 0.93 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -63.9 | 56.5 | -178.9 | -59.2 | 177.1 | 175.2 | 0 | 0 | 114.3 | ||
| 266 | S | 65 | Low | 85.9 | Confident | 31 Ų | 31 | 46.4 Ų | 46.4 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | trans | -119 | 137.7 | 170.7 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | H262 K264 A268 Y333 | H262-S266 PolarHBondContact CE1-O 3.48Å; K264-S266 PolarHBondContact O-N 2.8Å; S266-A268 PolarHBondContact O-N 3.21Å; S266-A268 PolarHBondContact OG-O 2.84Å; S266-Y333 VanDerWaalsContact O-CE2 3.3Å; S266-Y333 WeakPolarHBondContact O-CE2 3.06Å | ||
| 267 | N | 77.1 | Confident | 85.8 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -72.2 | 24.8 | 170.6 | 65.6 | -13.3 | 0 | 0 | 0 | 113.3 | Y333 | N267-Y333 VanDerWaalsContact C-CD2 3.46Å; N267-Y333 PolarHBondContact O-N 3.28Å |
| 268 | A | 83.9 | Confident | 85.6 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 156.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | S266 K330 A331 | S266-A268 PolarHBondContact O-N 3.21Å; S266-A268 PolarHBondContact OG-O 2.84Å; A268-K330 HydrophobicContact CB-CB 4.05Å; A268-K330 HydrophobicContact CB-CD 4.46Å; A268-A331 CarbonylContact C-O 3.57Å; A268-A331 WeakPolarHBondContact CA-O 3.25Å; A268-A331 WeakPolarHBondContact CB-O 3.34Å |
| 269 | S | 90.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 149.3 | 172.6 | 178.7 | 0 | 0 | 0 | 0 | 113.1 | I261 L271 A331 Y333 | I261-S269 WeakPolarHBondContact O-CB 3.49Å; I261-S269 PolarHBondContact O-OG 3.22Å; S269-L271 PolarHBondContact OG-N 2.7Å; S269-A331 PolarHBondContact N-O 3.05Å; S269-A331 WeakPolarHBondContact O-CB 3Å; S269-A331 PolarHBondContact O-N 3.33Å; S269-Y333 WeakPolarHBondContact CB-OH 3.34Å |
| 270 | D | 91.7 | Very high | 84.4 | Confident | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.139 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 10.6 | 174.8 | 51.5 | -34.8 | 0 | 0 | 0 | 113.4 | K326 L327 K330 | D270-K326 CarbonylContact O-C 3.53Å; D270-K326 VanDerWaalsContact O-CA 3.3Å; D270-K326 WeakPolarHBondContact O-CA 3.19Å; D270-K326 WeakPolarHBondContact OD2-CE 3.4Å; D270-K326 IonicContact OD2-NZ 2.76Å; D270-L327 HydrophobicContact CB-CB 4.22Å; D270-L327 PolarHBondContact O-N 2.63Å; D270-K330 HydrophobicContact CB-CG 3.77Å; D270-K330 VanDerWaalsContact OD1-CE 3.32Å; D270-K330 WeakPolarHBondContact OD1-CE 3Å |
| 271 | L | 94.2 | Very high | 83.3 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.3 | -172.6 | -61.6 | 177.6 | 0 | 0 | 0 | 113.4 | I261 W263 S269 V324 K326 | I261-L271 HydrophobicContact CB-CB 4.3Å; I261-L271 PolarHBondContact N-O 2.82Å; W263-L271 HydrophobicContact CB-CD1 4.25Å; W263-L271 HydrophobicContact CG-CD1 4.3Å; S269-L271 PolarHBondContact OG-N 2.7Å; L271-V324 HydrophobicContact CD2-CG1 4.31Å; L271-K326 HydrophobicContact CD2-CB 4.4Å; L271-K326 HydrophobicContact CD2-CG 4.25Å |
| 272 | I | 95.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.2 | 174.1 | -49.1 | -64.1 | 0 | 0 | 0 | 109.9 | A243 I245 S259 L260 V286 L288 V324 L325 L327 | A243-I272 HydrophobicContact CB-CD1 4.04Å; A243-I272 HydrophobicContact CB-CG2 4.01Å; I245-I272 HydrophobicContact CD1-CG2 4.36Å; S259-I272 CarbonylContact O-C 3.42Å; S259-I272 WeakPolarHBondContact O-CA 3.45Å; L260-I272 HydrophobicContact CB-CD1 4.07Å; L260-I272 HydrophobicContact CD1-CD1 3.67Å; L260-I272 HydrophobicContact CG-CD1 4.5Å; I272-V286 HydrophobicContact CD1-CG1 4.05Å; I272-V286 HydrophobicContact CG1-CG1 4.03Å; I272-V286 HydrophobicContact CG1-CG2 4.36Å; I272-L288 HydrophobicContact CD1-CD2 4.31Å; I272-V324 CarbonylContact O-C 3.57Å; I272-V324 VanDerWaalsContact O-CA 3.3Å; I272-V324 WeakPolarHBondContact O-CA 3.39Å; I272-L325 HydrophobicContact CB-CB 4.2Å; I272-L325 PolarHBondContact N-O 3.42Å; I272-L325 PolarHBondContact O-N 3.49Å; I272-L327 HydrophobicContact CD1-CD1 4.43Å; I272-L327 HydrophobicContact CG1-CD2 4Å; I272-L327 HydrophobicContact CG1-CG 4.37Å |
| 273 | L | 95.1 | Very high | 82.1 | Confident | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.7 | 170.2 | -172.8 | 68.1 | 0 | 0 | 0 | 110.6 | G258 S259 I261 I322 V324 L342 | G258-L273 CarbonylContact C-O 3.56Å; G258-L273 WeakPolarHBondContact CA-O 3.11Å; S259-L273 PolarHBondContact N-O 2.93Å; S259-L273 PolarHBondContact O-N 2.84Å; I261-L273 HydrophobicContact CD1-CB 3.78Å; I261-L273 HydrophobicContact CD1-CD2 4.18Å; I261-L273 HydrophobicContact CG1-CB 3.81Å; L273-I322 HydrophobicContact CD1-CD1 4.16Å; L273-I322 HydrophobicContact CD1-CG1 4.05Å; L273-V324 HydrophobicContact CD1-CG2 3.77Å; L273-L342 HydrophobicContact CD2-CD2 4.43Å |
| 274 | T | 94.4 | Very high | 83 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | -174.2 | -179.9 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | I245 G257 V279 A323 L325 | I245-T274 HydrophobicContact CD1-CG2 3.79Å; I245-T274 WeakPolarHBondContact CD1-OG1 3.49Å; G257-T274 PolarHBondContact O-OG1 3.21Å; T274-V279 HydrophobicContact CG2-CG1 3.78Å; T274-A323 HydrophobicContact CG2-CB 4.21Å; T274-A323 PolarHBondContact N-O 2.84Å; T274-A323 PolarHBondContact O-N 3.45Å; T274-A323 VanDerWaalsContact O-O 3.06Å; T274-L325 HydrophobicContact CG2-CD1 4.41Å; T274-L325 HydrophobicContact CG2-CG 4.34Å |
| 275 | A | 92.2 | Very high | 84.3 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -84.3 | 153.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | C278 | A275-C278 HydrophobicContact CB-CB 4.42Å; A275-C278 WeakPolarHBondContact O-CB 3.38Å; A275-C278 PolarHBondContact O-N 3.2Å | ||
| 276 | A | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -66.5 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C278 V279 L280 V310 F313 D321 | A276-C278 PolarHBondContact O-N 2.97Å; A276-C278 VanDerWaalsContact O-N 3.09Å; A276-V279 VanDerWaalsContact O-CG2 3.32Å; A276-V279 WeakPolarHBondContact O-CG2 3.35Å; A276-V279 PolarHBondContact O-N 2.82Å; A276-L280 HydrophobicContact CB-CD1 4.2Å; A276-L280 VanDerWaalsContact O-CG 3.3Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.47Å; A276-L280 VanDerWaalsContact O-N 3.13Å; A276-V310 HydrophobicContact CB-CG1 3.55Å; A276-F313 HydrophobicContact CB-CB 3.85Å; A276-F313 HydrophobicContact CB-CD2 4.38Å; A276-F313 HydrophobicContact CB-CG 4.08Å; A276-D321 WeakPolarHBondContact CA-OD1 3.4Å; A276-D321 WeakPolarHBondContact CB-OD1 3.48Å; A276-D321 PolarHBondContact N-OD1 3.12Å |
| 277 | H | 87.4 | Confident | 87.4 | Confident | 96 Ų | 96 | 45 Ų | 45 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.4 | 179.9 | 78.6 | -95.9 | 0 | 0 | 0 | 112.9 | R247 V279 F313 D321 | R247-H277 PolarHBondContact NH1-O 2.97Å; H277-V279 VanDerWaalsContact C-N 3.3Å; H277-V279 PolarHBondContact O-N 3.04Å; H277-F313 HydrophobicContact CB-CE1 4.43Å; H277-F313 HydrophobicContact CB-CZ 4.22Å; H277-D321 IonicContact CE1-OD2 2.69Å; H277-D321 IonicContact CG-OD1 3.23Å; H277-D321 IonicContact CG-OD2 3.99Å; H277-D321 PolarHBondContact N-OD1 3.13Å; H277-D321 IonicContact ND1-OD1 2.63Å; H277-D321 PolarHBondContact ND1-OD1 2.89Å; H277-D321 IonicContact ND1-OD2 3.21Å; H277-D321 PolarHBondContact ND1-OD2 3.35Å |
| 278 | C | 87 | Confident | 88.2 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -21.6 | 175.5 | -82 | 0 | 0 | 0 | 0 | 113.6 | R247 C256 A275 A276 | R247-C278 WeakPolarHBondContact CD-O 3.47Å; R247-C278 PolarHBondContact NH1-O 2.95Å; C256-C278 HydrophobicContact CB-CB 3.63Å; C256-C278 WeakPolarHBondContact CB-SG 3.39Å; C256-C278 VanDerWaalsContact SG-CA 3.55Å; C256-C278 WeakPolarHBondContact SG-CB 3.3Å; C256-C278 CovalentContact SG-SG 2.04Å; C256-C278 PolarHBondContact SG-SG 3.28Å; A275-C278 HydrophobicContact CB-CB 4.42Å; A275-C278 WeakPolarHBondContact O-CB 3.38Å; A275-C278 PolarHBondContact O-N 3.2Å; A276-C278 PolarHBondContact O-N 2.97Å; A276-C278 VanDerWaalsContact O-N 3.09Å |
| 279 | V | 86.2 | Confident | 88.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -14.9 | -173.8 | -55.3 | 0 | 0 | 0 | 0 | 114.1 | T274 A276 H277 N281 M308 V310 A323 L325 | T274-V279 HydrophobicContact CG2-CG1 3.78Å; A276-V279 VanDerWaalsContact O-CG2 3.32Å; A276-V279 WeakPolarHBondContact O-CG2 3.35Å; A276-V279 PolarHBondContact O-N 2.82Å; H277-V279 VanDerWaalsContact C-N 3.3Å; H277-V279 PolarHBondContact O-N 3.04Å; V279-N281 PolarHBondContact O-N 2.99Å; V279-N281 VanDerWaalsContact O-N 3.13Å; V279-M308 HydrophobicContact CB-SD 4.3Å; V279-M308 HydrophobicContact CG2-SD 4.38Å; V279-V310 HydrophobicContact CG2-CG2 3.8Å; V279-A323 HydrophobicContact CG2-CB 3.63Å; V279-L325 HydrophobicContact CB-CD2 4.36Å; V279-L325 HydrophobicContact CG1-CD1 4.17Å; V279-L325 HydrophobicContact CG1-CD2 3.76Å; V279-L325 HydrophobicContact CG1-CG 4.25Å |
| 280 | L | 78.3 | Confident | 88.5 | Confident | 62 Ų | 62 | 39.6 Ų | 39.6 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -73.3 | 94.6 | 179.9 | -75.3 | 168 | 0 | 0 | 0 | 113.5 | R247 A276 V310 F313 | R247-L280 VanDerWaalsContact CZ-O 3.3Å; R247-L280 VanDerWaalsContact NH2-C 3.31Å; R247-L280 PolarHBondContact NH2-O 3.14Å; A276-L280 HydrophobicContact CB-CD1 4.2Å; A276-L280 VanDerWaalsContact O-CG 3.3Å; A276-L280 WeakPolarHBondContact O-CG 3.49Å; A276-L280 PolarHBondContact O-N 3.47Å; A276-L280 VanDerWaalsContact O-N 3.13Å; L280-V310 HydrophobicContact CD2-CG1 4.19Å; L280-V310 HydrophobicContact CG-CG1 4.29Å; L280-F313 HydrophobicContact CD1-CB 4.33Å; L280-F313 HydrophobicContact CD1-CD1 3.48Å; L280-F313 VanDerWaalsContact CD1-CD1 3.48Å; L280-F313 HydrophobicContact CD1-CE1 4.11Å; L280-F313 HydrophobicContact CD1-CG 4.21Å |
| 281 | N | 73.3 | Confident | 88.3 | Confident | 133 Ų | 133 | 40.4 Ų | 40.4 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | S | Bend | trans | 97.1 | 99.8 | 174.8 | -51.9 | -35.8 | 0 | 0 | 0 | 115.7 | R247 F249 V279 | R247-N281 PolarHBondContact NE-O 2.76Å; R247-N281 PolarHBondContact NH2-O 3.25Å; F249-N281 WeakPolarHBondContact CE1-O 3.45Å; V279-N281 PolarHBondContact O-N 2.99Å; V279-N281 VanDerWaalsContact O-N 3.13Å |
| 282 | G | 69.2 | Low | 87.7 | Confident | 41 Ų | 41 | 40.5 Ų | 40.5 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 129.4 | 165 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q248 | Q248-G282 WeakPolarHBondContact O-CA 3.1Š|
| 283 | H | 80.6 | Confident | 86.9 | Confident | 159 Ų | 159 | 43.3 Ų | 43.3 | 74% | 0.736 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.7 | -178.9 | -77.2 | -75.3 | 0 | 0 | 0 | 111.7 | R247 Q248 | R247-H283 WeakPolarHBondContact CA-O 3.5Å; Q248-H283 HydrophobicContact CB-CB 4.43Å; Q248-H283 PolarHBondContact N-O 3.23Å; Q248-H283 PolarHBondContact O-N 3.48Å; Q248-H283 VanDerWaalsContact O-N 3.16Å |
| 284 | V | 88.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.6 | -174.2 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | I245 H246 R247 V305 L325 | I245-V284 HydrophobicContact CG2-CG1 3.49Å; I245-V284 VanDerWaalsContact CG2-CG1 3.49Å; H246-V284 CarbonylContact O-C 3.53Å; H246-V284 WeakPolarHBondContact O-CA 3.16Å; R247-V284 HydrophobicContact CG-CG2 4.49Å; V284-V305 HydrophobicContact CB-CG2 4.24Å; V284-V305 HydrophobicContact CG1-CG2 3.98Å; V284-L325 HydrophobicContact CG1-CD1 3.84Å |
| 285 | K | 91.4 | Very high | 85 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.7 | 169.8 | -63.3 | -174.2 | 177.8 | 176.8 | 0 | 109.7 | H246 Y287 L304 | H246-K285 HydrophobicContact CB-CB 4.47Å; H246-K285 PolarHBondContact N-O 2.89Å; H246-K285 PolarHBondContact O-N 3.08Å; K285-Y287 HydrophobicContact CB-CE2 4.16Å; K285-L304 HydrophobicContact CD-CD2 4.21Å; K285-L304 HydrophobicContact CG-CD2 3.97Å |
| 286 | V | 95.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.6 | -178.5 | 180 | 0 | 0 | 0 | 0 | 110.2 | A243 L244 I272 L288 H302 F303 V305 L325 L327 | A243-V286 HydrophobicContact CB-CG1 4.02Å; L244-V286 CarbonylContact O-C 3.56Å; L244-V286 WeakPolarHBondContact O-CA 3.14Å; I272-V286 HydrophobicContact CD1-CG1 4.05Å; I272-V286 HydrophobicContact CG1-CG1 4.03Å; I272-V286 HydrophobicContact CG1-CG2 4.36Å; V286-L288 HydrophobicContact CG1-CG 4.43Å; V286-H302 CarbonylContact O-C 3.58Å; V286-H302 VanDerWaalsContact O-CA 3.29Å; V286-H302 WeakPolarHBondContact O-CA 3.36Å; V286-F303 PolarHBondContact N-O 3.41Å; V286-F303 PolarHBondContact O-N 2.85Å; V286-V305 HydrophobicContact CG2-CG2 4.05Å; V286-L325 HydrophobicContact CG2-CD1 4.06Å; V286-L327 HydrophobicContact CB-CD2 3.92Å; V286-L327 HydrophobicContact CG1-CD2 4.32Å; V286-L327 HydrophobicContact CG2-CD2 3.9Å |
| 287 | Y | 95 | Very high | 84 | Confident | 39 Ų | 39 | 60.9 Ų | 60.9 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.1 | 173.1 | -59.7 | -106.7 | 0 | 0 | 0 | 110.2 | L244 H246 K285 F296 V300 K301 H302 | L244-Y287 PolarHBondContact N-O 2.75Å; L244-Y287 PolarHBondContact O-N 2.75Å; H246-Y287 HydrophobicContact CB-CE2 3.97Å; H246-Y287 AromaticContact CG-CE2 3.64Å; H246-Y287 AromaticContact ND1-CE2 3.53Å; K285-Y287 HydrophobicContact CB-CE2 4.16Å; Y287-F296 HydrophobicContact CD1-CD2 4.27Å; Y287-F296 AromaticContact CD1-CE2 3.56Å; Y287-F296 HydrophobicContact CD1-CE2 3.56Å; Y287-F296 AromaticContact CD1-CZ 3.95Å; Y287-F296 HydrophobicContact CD1-CZ 3.95Å; Y287-F296 HydrophobicContact CE1-CD2 4.3Å; Y287-F296 AromaticContact CE1-CE2 3.51Å; Y287-F296 HydrophobicContact CE1-CE2 3.51Å; Y287-F296 HydrophobicContact CE1-CZ 4.2Å; Y287-F296 HydrophobicContact CG-CE2 4.32Å; Y287-F296 HydrophobicContact CG-CZ 4.27Å; Y287-V300 HydrophobicContact CD1-CG1 4.14Å; Y287-K301 CarbonylContact C-O 3.5Å; Y287-K301 WeakPolarHBondContact CA-O 3.41Å; Y287-H302 HydrophobicContact CD1-CB 3.49Å; Y287-H302 VanDerWaalsContact CD1-CB 3.49Å; Y287-H302 HydrophobicContact CE1-CB 3.43Å; Y287-H302 VanDerWaalsContact CE1-CB 3.43Å; Y287-H302 HydrophobicContact CG-CB 4.13Å |
| 288 | L | 94.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150.5 | -179.4 | -67.1 | 172.5 | 0 | 0 | 0 | 110.3 | A243 L260 I272 V286 V290 V300 K301 F303 L327 A331 I337 | A243-L288 HydrophobicContact CB-CD2 3.72Å; L260-L288 HydrophobicContact CB-CD2 4.17Å; L260-L288 HydrophobicContact CD1-CD1 4.24Å; L260-L288 HydrophobicContact CD2-CD1 4.11Å; L260-L288 HydrophobicContact CD2-CD2 4.47Å; I272-L288 HydrophobicContact CD1-CD2 4.31Å; V286-L288 HydrophobicContact CG1-CG 4.43Å; L288-V290 VanDerWaalsContact C-N 3.29Å; L288-V300 WeakPolarHBondContact O-CA 3.44Å; L288-K301 PolarHBondContact N-O 2.88Å; L288-K301 PolarHBondContact O-N 2.73Å; L288-F303 HydrophobicContact CB-CE2 4.38Å; L288-F303 HydrophobicContact CD1-CD2 4.08Å; L288-F303 HydrophobicContact CD1-CE2 3.76Å; L288-F303 HydrophobicContact CD1-CZ 4.49Å; L288-F303 HydrophobicContact CG-CD2 4.49Å; L288-F303 HydrophobicContact CG-CE2 4.35Å; L288-L327 HydrophobicContact CD1-CD1 4.39Å; L288-A331 HydrophobicContact CD1-CB 3.53Å; L288-I337 HydrophobicContact CB-CD1 3.96Å; L288-I337 HydrophobicContact CB-CG1 4.07Å; L288-I337 HydrophobicContact CB-CG2 4.4Å; L288-I337 HydrophobicContact CD1-CG2 4.19Å |
| 289 | G | 90.1 | Very high | 83.3 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 79.2 | 6.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 290 | V | 90.8 | Very high | 83.4 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | trans | -65.5 | 142.9 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | L244 L288 T293 F296 V300 W361 | L244-V290 HydrophobicContact CB-CG2 4.29Å; L244-V290 HydrophobicContact CD2-CG1 4.32Å; L244-V290 HydrophobicContact CD2-CG2 4.19Å; L288-V290 VanDerWaalsContact C-N 3.29Å; V290-T293 HydrophobicContact CG1-CG2 4.29Å; V290-F296 HydrophobicContact CG1-CD1 4.23Å; V290-F296 HydrophobicContact CG1-CE1 3.98Å; V290-F296 HydrophobicContact CG2-CD1 4.37Å; V290-F296 HydrophobicContact CG2-CE1 4.06Å; V290-V300 HydrophobicContact CG2-CG1 3.71Å; V290-V300 HydrophobicContact CG2-CG2 4.17Å; V290-W361 HydrophobicContact CB-CH2 4.08Å; V290-W361 HydrophobicContact CB-CZ2 3.76Å; V290-W361 HydrophobicContact CG1-CH2 4.48Å; V290-W361 HydrophobicContact CG1-CZ2 3.83Å; V290-W361 WeakPolarHBondContact O-CZ2 3.31Å | ||
| 291 | H | 86.7 | Confident | 84.1 | Confident | 42 Ų | 42 | 66.3 Ų | 66.3 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -122.9 | -54.7 | 164.5 | -178.5 | 72.9 | 0 | 0 | 0 | 110.5 | E233 A234 K236 W361 | E233-H291 IonicContact OE1-CD2 2.7Å; E233-H291 IonicContact OE1-CE1 3.87Å; E233-H291 IonicContact OE1-NE2 2.69Å; E233-H291 PolarHBondContact OE1-NE2 3.35Å; A234-H291 PolarHBondContact O-CE1 3.19Å; A234-H291 VanDerWaalsContact O-CE1 3.32Å; K236-H291 HydrophobicContact CG-CB 3.95Å; H291-W361 PolarHBondContact O-NE1 3.1Å |
| 292 | N | 82.4 | Confident | 84.9 | Confident | 43 Ų | 43 | 66 Ų | 66 | 23% | 0.23 | 34% | 0.34 | C | S | . | . | trans | -101.9 | 130.1 | 172.8 | -173 | -3 | 0 | 0 | 0 | 109.9 | E294 Q295 | N292-E294 PolarHBondContact OD1-N 3.42Å; N292-Q295 CarbonylContact O-C 3.58Å | ||
| 293 | T | 78.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 37% | 0.368 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -80.2 | -21.8 | 177.9 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | L244 V290 W361 | L244-T293 HydrophobicContact CD1-CG2 3.88Å; L244-T293 HydrophobicContact CD2-CG2 3.98Å; V290-T293 HydrophobicContact CG1-CG2 4.29Å; T293-W361 HydrophobicContact CG2-CB 3.88Å; T293-W361 HydrophobicContact CG2-CD2 4.11Å; T293-W361 HydrophobicContact CG2-CG 3.57Å |
| 294 | E | 74.3 | Confident | 86.6 | Confident | 173 Ų | 173 | 61 Ų | 61 | 81% | 0.808 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -83.3 | -23.8 | 177 | -61.6 | 179.4 | 159.9 | 0 | 0 | 112.3 | N292 | N292-E294 PolarHBondContact OD1-N 3.42Š|
| 295 | Q | 76.1 | Confident | 86.7 | Confident | 147 Ų | 147 | 61.9 Ų | 61.9 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -140.4 | 94.7 | -176.1 | -169.8 | 179.8 | 23.1 | 0 | 0 | 110 | N292 D297 | N292-Q295 CarbonylContact O-C 3.58Å; Q295-D297 PolarHBondContact O-N 2.93Å |
| 296 | F | 80.6 | Confident | 86.6 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | trans | -69.7 | 128.8 | 173.4 | -66.9 | -18 | 0 | 0 | 0 | 111 | L244 Y287 V290 V300 | L244-F296 HydrophobicContact CD2-CE1 3.97Å; L244-F296 HydrophobicContact CD2-CZ 3.89Å; Y287-F296 HydrophobicContact CD1-CD2 4.27Å; Y287-F296 AromaticContact CD1-CE2 3.56Å; Y287-F296 HydrophobicContact CD1-CE2 3.56Å; Y287-F296 AromaticContact CD1-CZ 3.95Å; Y287-F296 HydrophobicContact CD1-CZ 3.95Å; Y287-F296 HydrophobicContact CE1-CD2 4.3Å; Y287-F296 AromaticContact CE1-CE2 3.51Å; Y287-F296 HydrophobicContact CE1-CE2 3.51Å; Y287-F296 HydrophobicContact CE1-CZ 4.2Å; Y287-F296 HydrophobicContact CG-CE2 4.32Å; Y287-F296 HydrophobicContact CG-CZ 4.27Å; V290-F296 HydrophobicContact CG1-CD1 4.23Å; V290-F296 HydrophobicContact CG1-CE1 3.98Å; V290-F296 HydrophobicContact CG2-CD1 4.37Å; V290-F296 HydrophobicContact CG2-CE1 4.06Å; F296-V300 HydrophobicContact CB-CB 4.16Å; F296-V300 HydrophobicContact CB-CG1 4.33Å; F296-V300 HydrophobicContact CB-CG2 4.01Å; F296-V300 HydrophobicContact CD1-CG1 4.41Å; F296-V300 HydrophobicContact CD1-CG2 4.46Å; F296-V300 HydrophobicContact CD2-CG1 4.25Å; F296-V300 HydrophobicContact CG-CB 4.46Å; F296-V300 HydrophobicContact CG-CG1 4.1Å; F296-V300 HydrophobicContact CG-CG2 4.37Å | ||
| 297 | D | 78.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | trans | -76.4 | 158 | 171.8 | -160.4 | -32.8 | 0 | 0 | 0 | 109.9 | K236 Q295 N299 V300 | K236-D297 IonicContact NZ-OD2 2.8Å; K236-D297 PolarHBondContact NZ-OD2 2.95Å; Q295-D297 PolarHBondContact O-N 2.93Å; D297-N299 PolarHBondContact O-N 2.9Å; D297-V300 HydrophobicContact CB-CG2 4.48Å; D297-V300 WeakPolarHBondContact O-CB 3.4Å; D297-V300 WeakPolarHBondContact O-CG2 3.39Å; D297-V300 PolarHBondContact O-N 2.9Å | ||
| 298 | S | 78.8 | Confident | 86 | Confident | 111 Ų | 111 | 66 Ų | 66 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -24 | 172 | 57.9 | 0 | 0 | 0 | 0 | 115.2 | V300 | S298-V300 VanDerWaalsContact C-N 3.34Š|
| 299 | N | 81.3 | Confident | 85.6 | Confident | 53 Ų | 53 | 68.1 Ų | 68.1 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.4 | 177.7 | -63.8 | -54.1 | 0 | 0 | 0 | 114 | D297 K301 F336 | D297-N299 PolarHBondContact O-N 2.9Å; N299-K301 PolarHBondContact O-N 2.92Å; N299-F336 HydrophobicContact CB-CD2 3.76Å; N299-F336 HydrophobicContact CB-CE2 4.05Å; N299-F336 HydrophobicContact CB-CG 4.16Å; N299-F336 VanDerWaalsContact OD1-CE2 3.31Å; N299-F336 WeakPolarHBondContact OD1-CE2 3.18Å |
| 300 | V | 89 | Confident | 85.4 | Confident | 25 Ų | 25 | 70.4 Ų | 70.4 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | trans | -72.6 | 126.8 | -179.1 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | Y287 L288 V290 F296 D297 S298 | Y287-V300 HydrophobicContact CD1-CG1 4.14Å; L288-V300 WeakPolarHBondContact O-CA 3.44Å; V290-V300 HydrophobicContact CG2-CG1 3.71Å; V290-V300 HydrophobicContact CG2-CG2 4.17Å; F296-V300 HydrophobicContact CB-CB 4.16Å; F296-V300 HydrophobicContact CB-CG1 4.33Å; F296-V300 HydrophobicContact CB-CG2 4.01Å; F296-V300 HydrophobicContact CD1-CG1 4.41Å; F296-V300 HydrophobicContact CD1-CG2 4.46Å; F296-V300 HydrophobicContact CD2-CG1 4.25Å; F296-V300 HydrophobicContact CG-CB 4.46Å; F296-V300 HydrophobicContact CG-CG1 4.1Å; F296-V300 HydrophobicContact CG-CG2 4.37Å; D297-V300 HydrophobicContact CB-CG2 4.48Å; D297-V300 WeakPolarHBondContact O-CB 3.4Å; D297-V300 WeakPolarHBondContact O-CG2 3.39Å; D297-V300 PolarHBondContact O-N 2.9Å; S298-V300 VanDerWaalsContact C-N 3.34Å | ||
| 301 | K | 91.1 | Very high | 84.8 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.1 | 175.4 | -66.7 | -174.6 | -179.9 | 179.2 | 0 | 110.3 | Y287 L288 N299 F303 I337 | Y287-K301 CarbonylContact C-O 3.5Å; Y287-K301 WeakPolarHBondContact CA-O 3.41Å; L288-K301 PolarHBondContact N-O 2.88Å; L288-K301 PolarHBondContact O-N 2.73Å; N299-K301 PolarHBondContact O-N 2.92Å; K301-F303 HydrophobicContact CB-CD2 4.49Å; K301-F303 HydrophobicContact CB-CE2 3.57Å; K301-F303 HydrophobicContact CB-CZ 4.01Å; K301-F303 HydrophobicContact CD-CZ 4.43Å; K301-I337 HydrophobicContact CB-CD1 4.32Å; K301-I337 HydrophobicContact CD-CD1 4.07Å; K301-I337 HydrophobicContact CG-CD1 4.3Å |
| 302 | H | 91.2 | Very high | 84.4 | Confident | 127 Ų | 127 | 74.1 Ų | 74.1 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 149 | 175.8 | 74.8 | -92.2 | 0 | 0 | 0 | 111 | V286 Y287 | V286-H302 CarbonylContact O-C 3.58Å; V286-H302 VanDerWaalsContact O-CA 3.29Å; V286-H302 WeakPolarHBondContact O-CA 3.36Å; Y287-H302 HydrophobicContact CD1-CB 3.49Å; Y287-H302 VanDerWaalsContact CD1-CB 3.49Å; Y287-H302 HydrophobicContact CE1-CB 3.43Å; Y287-H302 VanDerWaalsContact CE1-CB 3.43Å; Y287-H302 HydrophobicContact CG-CB 4.13Å |
| 303 | F | 93.7 | Very high | 83.9 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 10% | 0.096 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.1 | -174.8 | -62.1 | -96.7 | 0 | 0 | 0 | 109.8 | V286 L288 K301 L327 N329 A331 | V286-F303 PolarHBondContact N-O 3.41Å; V286-F303 PolarHBondContact O-N 2.85Å; L288-F303 HydrophobicContact CB-CE2 4.38Å; L288-F303 HydrophobicContact CD1-CD2 4.08Å; L288-F303 HydrophobicContact CD1-CE2 3.76Å; L288-F303 HydrophobicContact CD1-CZ 4.49Å; L288-F303 HydrophobicContact CG-CD2 4.49Å; L288-F303 HydrophobicContact CG-CE2 4.35Å; K301-F303 HydrophobicContact CB-CD2 4.49Å; K301-F303 HydrophobicContact CB-CE2 3.57Å; K301-F303 HydrophobicContact CB-CZ 4.01Å; K301-F303 HydrophobicContact CD-CZ 4.43Å; F303-L327 HydrophobicContact CB-CB 4.26Å; F303-L327 HydrophobicContact CB-CD1 3.96Å; F303-L327 HydrophobicContact CB-CD2 3.83Å; F303-L327 HydrophobicContact CB-CG 4.22Å; F303-L327 HydrophobicContact CD1-CB 4.45Å; F303-L327 HydrophobicContact CD1-CD1 3.98Å; F303-L327 HydrophobicContact CD2-CD1 4.22Å; F303-L327 HydrophobicContact CG-CD1 3.8Å; F303-N329 HydrophobicContact CD1-CB 4.43Å; F303-N329 WeakPolarHBondContact CD1-O 3.45Å; F303-N329 WeakPolarHBondContact CE1-O 3.33Å; F303-A331 HydrophobicContact CE1-CB 4Å; F303-A331 HydrophobicContact CE2-CB 4.02Å; F303-A331 HydrophobicContact CZ-CB 3.51Å |
| 304 | L | 91.4 | Very high | 83.4 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 38% | 0.382 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 155.1 | 166.2 | -61.5 | -178.2 | 0 | 0 | 0 | 109.9 | K285 L327 E328 | K285-L304 HydrophobicContact CD-CD2 4.21Å; K285-L304 HydrophobicContact CG-CD2 3.97Å; L304-L327 CarbonylContact O-C 3.57Å; L304-L327 WeakPolarHBondContact O-CA 3.37Å; L304-E328 VanDerWaalsContact CB-CD 3.44Å; L304-E328 HydrophobicContact CB-CG 4.02Å; L304-E328 WeakPolarHBondContact CB-OE1 3.35Å; L304-E328 PolarHBondContact O-N 3.21Å |
| 305 | V | 91.7 | Very high | 82.9 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 22% | 0.218 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 109 | V284 V286 A307 L325 K326 | V284-V305 HydrophobicContact CB-CG2 4.24Å; V284-V305 HydrophobicContact CG1-CG2 3.98Å; V286-V305 HydrophobicContact CG2-CG2 4.05Å; V305-A307 VanDerWaalsContact CG1-O 3.23Å; V305-A307 WeakPolarHBondContact CG1-O 3.16Å; V305-L325 HydrophobicContact CG1-CB 4.2Å; V305-L325 HydrophobicContact CG1-CD2 4.11Å; V305-L325 HydrophobicContact CG2-CB 4.33Å; V305-L325 HydrophobicContact CG2-CD1 4.17Å; V305-K326 CarbonylContact C-O 3.57Å; V305-K326 WeakPolarHBondContact CA-O 3.47Å |
| 306 | S | 89.4 | Confident | 82.5 | Confident | 65 Ų | 65 | 72.8 Ų | 72.8 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -29.9 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | K326 L327 | S306-K326 PolarHBondContact N-O 3.24Å; S306-K326 PolarHBondContact OG-O 3.1Å; S306-L327 PolarHBondContact OG-O 2.74Å |
| 307 | A | 87.1 | Confident | 82.1 | Confident | 52 Ų | 52 | 72.5 Ų | 72.5 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 160.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V305 K326 | V305-A307 VanDerWaalsContact CG1-O 3.23Å; V305-A307 WeakPolarHBondContact CG1-O 3.16Å; A307-K326 HydrophobicContact CB-CB 4.29Å; A307-K326 PolarHBondContact N-O 3.36Å; A307-K326 PolarHBondContact O-N 3.27Å |
| 308 | M | 89.2 | Confident | 81.6 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 53% | 0.532 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 143.5 | 171.8 | 63.5 | -177.8 | -175.7 | 0 | 0 | 111.5 | V279 V310 V324 L325 | V279-M308 HydrophobicContact CB-SD 4.3Å; V279-M308 HydrophobicContact CG2-SD 4.38Å; M308-V310 HydrophobicContact CG-CG2 4.36Å; M308-V310 HydrophobicContact SD-CG2 4.33Å; M308-V324 CarbonylContact C-O 3.41Å; M308-V324 WeakPolarHBondContact CA-O 3.27Å; M308-L325 HydrophobicContact CB-CD2 3.55Å; M308-L325 HydrophobicContact SD-CD2 4.48Å |
| 309 | G | 85.6 | Confident | 81.6 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 129.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.2 | A323 V324 | G309-A323 CarbonylContact O-C 3.5Å; G309-A323 VanDerWaalsContact O-CA 3.23Å; G309-A323 WeakPolarHBondContact O-CA 3.34Å; G309-A323 WeakPolarHBondContact O-CB 3.47Å; G309-V324 PolarHBondContact N-O 2.61Å; G309-V324 PolarHBondContact O-N 2.81Å |
| 310 | V | 85.5 | Confident | 81.5 | Confident | 53 Ų | 53 | 79 Ų | 79 | 32% | 0.321 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.8 | -178.2 | -171 | 0 | 0 | 0 | 0 | 108.2 | A276 V279 L280 M308 A323 | A276-V310 HydrophobicContact CB-CG1 3.55Å; V279-V310 HydrophobicContact CG2-CG2 3.8Å; L280-V310 HydrophobicContact CD2-CG1 4.19Å; L280-V310 HydrophobicContact CG-CG1 4.29Å; M308-V310 HydrophobicContact CG-CG2 4.36Å; M308-V310 HydrophobicContact SD-CG2 4.33Å; V310-A323 HydrophobicContact CG1-CB 4.43Å; V310-A323 HydrophobicContact CG2-CB 4.27Å |
| 311 | G | 78.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | trans | -63.8 | 165.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F313 I322 | G311-F313 PolarHBondContact O-N 2.82Å; G311-I322 PolarHBondContact N-O 2.97Å | ||
| 312 | S | 78.1 | Confident | 81.6 | Confident | 104 Ų | 104 | 80.2 Ų | 80.2 | 73% | 0.727 | 44% | 0.442 | S | S | * | . | trans | -71.8 | 64.4 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | H320 | S312-H320 PolarHBondContact O-ND1 3Š| ||
| 313 | F | 73.5 | Confident | 81.6 | Confident | 39 Ų | 39 | 74.3 Ų | 74.3 | 17% | 0.171 | 42% | 0.415 | C | S | . | . | trans | -67.8 | 131.2 | -173.9 | 176.9 | -111.9 | 0 | 0 | 0 | 111.3 | A276 H277 L280 G311 E315 K318 K319 D321 | A276-F313 HydrophobicContact CB-CB 3.85Å; A276-F313 HydrophobicContact CB-CD2 4.38Å; A276-F313 HydrophobicContact CB-CG 4.08Å; H277-F313 HydrophobicContact CB-CE1 4.43Å; H277-F313 HydrophobicContact CB-CZ 4.22Å; L280-F313 HydrophobicContact CD1-CB 4.33Å; L280-F313 HydrophobicContact CD1-CD1 3.48Å; L280-F313 VanDerWaalsContact CD1-CD1 3.48Å; L280-F313 HydrophobicContact CD1-CE1 4.11Å; L280-F313 HydrophobicContact CD1-CG 4.21Å; G311-F313 PolarHBondContact O-N 2.82Å; F313-E315 HydrophobicContact CE1-CG 3.93Å; F313-K318 HydrophobicContact CE2-CB 4.42Å; F313-K318 HydrophobicContact CE2-CD 3.91Å; F313-K318 HydrophobicContact CZ-CD 3.73Å; F313-K319 WeakPolarHBondContact CA-O 3.23Å; F313-K319 WeakPolarHBondContact CD2-O 3.41Å; F313-D321 HydrophobicContact CD2-CB 3.68Å; F313-D321 HydrophobicContact CE2-CB 3.66Å | ||
| 314 | S | 67.8 | Low | 81.6 | Confident | 44 Ų | 44 | 76.1 Ų | 76.1 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | trans | -113.8 | 119 | 176.1 | 150.1 | 0 | 0 | 0 | 0 | 108.8 | N316 D317 K318 K319 | S314-N316 PolarHBondContact O-N 2.84Å; S314-D317 WeakPolarHBondContact CB-OD1 3.3Å; S314-D317 PolarHBondContact OG-OD1 2.88Å; S314-K318 VanDerWaalsContact O-CA 3.27Å; S314-K318 WeakPolarHBondContact O-CA 3.49Å; S314-K318 PolarHBondContact O-N 2.82Å; S314-K319 PolarHBondContact N-O 3.16Å | ||
| 315 | E | 63.3 | Low | 81.7 | Confident | 145 Ų | 145 | 72.7 Ų | 72.7 | 68% | 0.678 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.5 | -178.1 | -80.2 | -140.6 | 115.8 | 0 | 0 | 113.4 | F313 K318 | F313-E315 HydrophobicContact CE1-CG 3.93Å; E315-K318 WeakPolarHBondContact O-CD 3.41Å; E315-K318 VanDerWaalsContact O-CE 3.22Å; E315-K318 WeakPolarHBondContact O-CE 3.33Å; E315-K318 PolarHBondContact O-NZ 2.86Å |
| 316 | N | 67.8 | Low | 81.9 | Confident | 168 Ų | 168 | 75.5 Ų | 75.5 | 90% | 0.898 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -35.5 | -171.7 | -75.3 | -24 | 0 | 0 | 0 | 113.5 | S314 | S314-N316 PolarHBondContact O-N 2.84Š|
| 317 | D | 72 | Confident | 82.1 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 2.2 | -178.2 | 72.5 | -11.5 | 0 | 0 | 0 | 114.1 | S314 K319 | S314-D317 WeakPolarHBondContact CB-OD1 3.3Å; S314-D317 PolarHBondContact OG-OD1 2.88Å; D317-K319 PolarHBondContact O-N 2.83Å; D317-K319 VanDerWaalsContact O-N 3.07Å; D317-K319 PolarHBondContact OD1-N 2.86Å; D317-K319 WeakPolarHBondContact OD2-CD 3.45Å; D317-K319 WeakPolarHBondContact OD2-CE 3.43Å; D317-K319 WeakPolarHBondContact OD2-CG 3.41Å; D317-K319 IonicContact OD2-NZ 3.54Å; D317-K319 PolarHBondContact OD2-NZ 3.13Å |
| 318 | K | 68.5 | Low | 82.3 | Confident | 120 Ų | 120 | 75.1 Ų | 75.1 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | trans | 54.8 | 21.2 | 178.1 | -54.4 | -57.5 | -174.5 | -157.6 | 0 | 114.6 | F313 S314 E315 | F313-K318 HydrophobicContact CE2-CB 4.42Å; F313-K318 HydrophobicContact CE2-CD 3.91Å; F313-K318 HydrophobicContact CZ-CD 3.73Å; S314-K318 VanDerWaalsContact O-CA 3.27Å; S314-K318 WeakPolarHBondContact O-CA 3.49Å; S314-K318 PolarHBondContact O-N 2.82Å; E315-K318 WeakPolarHBondContact O-CD 3.41Å; E315-K318 VanDerWaalsContact O-CE 3.22Å; E315-K318 WeakPolarHBondContact O-CE 3.33Å; E315-K318 PolarHBondContact O-NZ 2.86Å | ||
| 319 | K | 77 | Confident | 82.4 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 151.4 | 174 | -70.4 | -174.8 | -169.7 | 128.7 | 0 | 111.4 | F313 S314 D317 D321 | F313-K319 WeakPolarHBondContact CA-O 3.23Å; F313-K319 WeakPolarHBondContact CD2-O 3.41Å; S314-K319 PolarHBondContact N-O 3.16Å; D317-K319 PolarHBondContact O-N 2.83Å; D317-K319 VanDerWaalsContact O-N 3.07Å; D317-K319 PolarHBondContact OD1-N 2.86Å; D317-K319 WeakPolarHBondContact OD2-CD 3.45Å; D317-K319 WeakPolarHBondContact OD2-CE 3.43Å; D317-K319 WeakPolarHBondContact OD2-CG 3.41Å; D317-K319 IonicContact OD2-NZ 3.54Å; D317-K319 PolarHBondContact OD2-NZ 3.13Å; K319-D321 VanDerWaalsContact C-N 3.28Å; K319-D321 PolarHBondContact O-N 3.21Å |
| 320 | H | 80.5 | Confident | 82.6 | Confident | 117 Ų | 117 | 78.4 Ų | 78.4 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 34.7 | 178.3 | -40.2 | 112 | 0 | 0 | 0 | 114.5 | S312 I322 | S312-H320 PolarHBondContact O-ND1 3Å; H320-I322 PolarHBondContact O-N 2.93Å |
| 321 | D | 89.5 | Confident | 82.8 | Confident | 53 Ų | 53 | 76 Ų | 76 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | trans | -74.4 | 63.9 | 176.1 | -166.9 | 11.3 | 0 | 0 | 0 | 112.4 | A276 H277 F313 K319 | A276-D321 WeakPolarHBondContact CA-OD1 3.4Å; A276-D321 WeakPolarHBondContact CB-OD1 3.48Å; A276-D321 PolarHBondContact N-OD1 3.12Å; H277-D321 IonicContact CE1-OD2 2.69Å; H277-D321 IonicContact CG-OD1 3.23Å; H277-D321 IonicContact CG-OD2 3.99Å; H277-D321 PolarHBondContact N-OD1 3.13Å; H277-D321 IonicContact ND1-OD1 2.63Å; H277-D321 PolarHBondContact ND1-OD1 2.89Å; H277-D321 IonicContact ND1-OD2 3.21Å; H277-D321 PolarHBondContact ND1-OD2 3.35Å; F313-D321 HydrophobicContact CD2-CB 3.68Å; F313-D321 HydrophobicContact CE2-CB 3.66Å; K319-D321 VanDerWaalsContact C-N 3.28Å; K319-D321 PolarHBondContact O-N 3.21Å | ||
| 322 | I | 91.6 | Very high | 83.3 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 47% | 0.472 | 40% | 0.399 | S | S | . | . | trans | -139.9 | 140 | -175.7 | -168.4 | 168 | 0 | 0 | 0 | 110.5 | L273 G311 H320 | L273-I322 HydrophobicContact CD1-CD1 4.16Å; L273-I322 HydrophobicContact CD1-CG1 4.05Å; G311-I322 PolarHBondContact N-O 2.97Å; H320-I322 PolarHBondContact O-N 2.93Å | ||
| 323 | A | 92.3 | Very high | 83.7 | Confident | 3 Ų | 3 | 75 Ų | 75 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T274 V279 G309 V310 | T274-A323 HydrophobicContact CG2-CB 4.21Å; T274-A323 PolarHBondContact N-O 2.84Å; T274-A323 PolarHBondContact O-N 3.45Å; T274-A323 VanDerWaalsContact O-O 3.06Å; V279-A323 HydrophobicContact CG2-CB 3.63Å; G309-A323 CarbonylContact O-C 3.5Å; G309-A323 VanDerWaalsContact O-CA 3.23Å; G309-A323 WeakPolarHBondContact O-CA 3.34Å; G309-A323 WeakPolarHBondContact O-CB 3.47Å; V310-A323 HydrophobicContact CG1-CB 4.43Å; V310-A323 HydrophobicContact CG2-CB 4.27Å |
| 324 | V | 93.7 | Very high | 84.2 | Confident | 60 Ų | 60 | 75.6 Ų | 75.6 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L271 I272 L273 M308 G309 | L271-V324 HydrophobicContact CD2-CG1 4.31Å; I272-V324 CarbonylContact O-C 3.57Å; I272-V324 VanDerWaalsContact O-CA 3.3Å; I272-V324 WeakPolarHBondContact O-CA 3.39Å; L273-V324 HydrophobicContact CD1-CG2 3.77Å; M308-V324 CarbonylContact C-O 3.41Å; M308-V324 WeakPolarHBondContact CA-O 3.27Å; G309-V324 PolarHBondContact N-O 2.61Å; G309-V324 PolarHBondContact O-N 2.81Å |
| 325 | L | 94.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 139 | 172.7 | -54.4 | 177 | 0 | 0 | 0 | 109.6 | I245 I272 T274 V279 V284 V286 V305 M308 | I245-L325 HydrophobicContact CD1-CD1 4.13Å; I272-L325 HydrophobicContact CB-CB 4.2Å; I272-L325 PolarHBondContact N-O 3.42Å; I272-L325 PolarHBondContact O-N 3.49Å; T274-L325 HydrophobicContact CG2-CD1 4.41Å; T274-L325 HydrophobicContact CG2-CG 4.34Å; V279-L325 HydrophobicContact CB-CD2 4.36Å; V279-L325 HydrophobicContact CG1-CD1 4.17Å; V279-L325 HydrophobicContact CG1-CD2 3.76Å; V279-L325 HydrophobicContact CG1-CG 4.25Å; V284-L325 HydrophobicContact CG1-CD1 3.84Å; V286-L325 HydrophobicContact CG2-CD1 4.06Å; V305-L325 HydrophobicContact CG1-CB 4.2Å; V305-L325 HydrophobicContact CG1-CD2 4.11Å; V305-L325 HydrophobicContact CG2-CB 4.33Å; V305-L325 HydrophobicContact CG2-CD1 4.17Å; M308-L325 HydrophobicContact CB-CD2 3.55Å; M308-L325 HydrophobicContact SD-CD2 4.48Å |
| 326 | K | 94.1 | Very high | 85.8 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 41% | 0.413 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127 | 169.3 | -168.3 | -176.3 | -179.9 | -174.2 | 0 | 109.8 | D270 L271 V305 S306 A307 | D270-K326 CarbonylContact O-C 3.53Å; D270-K326 VanDerWaalsContact O-CA 3.3Å; D270-K326 WeakPolarHBondContact O-CA 3.19Å; D270-K326 WeakPolarHBondContact OD2-CE 3.4Å; D270-K326 IonicContact OD2-NZ 2.76Å; L271-K326 HydrophobicContact CD2-CB 4.4Å; L271-K326 HydrophobicContact CD2-CG 4.25Å; V305-K326 CarbonylContact C-O 3.57Å; V305-K326 WeakPolarHBondContact CA-O 3.47Å; S306-K326 PolarHBondContact N-O 3.24Å; S306-K326 PolarHBondContact OG-O 3.1Å; A307-K326 HydrophobicContact CB-CB 4.29Å; A307-K326 PolarHBondContact N-O 3.36Å; A307-K326 PolarHBondContact O-N 3.27Å |
| 327 | L | 94.5 | Very high | 86.9 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 156.5 | 176.2 | -53.4 | -177 | 0 | 0 | 0 | 110.8 | D270 I272 V286 L288 F303 L304 S306 N329 | D270-L327 HydrophobicContact CB-CB 4.22Å; D270-L327 PolarHBondContact O-N 2.63Å; I272-L327 HydrophobicContact CD1-CD1 4.43Å; I272-L327 HydrophobicContact CG1-CD2 4Å; I272-L327 HydrophobicContact CG1-CG 4.37Å; V286-L327 HydrophobicContact CB-CD2 3.92Å; V286-L327 HydrophobicContact CG1-CD2 4.32Å; V286-L327 HydrophobicContact CG2-CD2 3.9Å; L288-L327 HydrophobicContact CD1-CD1 4.39Å; F303-L327 HydrophobicContact CB-CB 4.26Å; F303-L327 HydrophobicContact CB-CD1 3.96Å; F303-L327 HydrophobicContact CB-CD2 3.83Å; F303-L327 HydrophobicContact CB-CG 4.22Å; F303-L327 HydrophobicContact CD1-CB 4.45Å; F303-L327 HydrophobicContact CD1-CD1 3.98Å; F303-L327 HydrophobicContact CD2-CD1 4.22Å; F303-L327 HydrophobicContact CG-CD1 3.8Å; L304-L327 CarbonylContact O-C 3.57Å; L304-L327 WeakPolarHBondContact O-CA 3.37Å; S306-L327 PolarHBondContact OG-O 2.74Å; L327-N329 WeakPolarHBondContact CB-O 3.23Å |
| 328 | E | 91.5 | Very high | 87.7 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -37.8 | 170.7 | -76.4 | 179.5 | -179.6 | 0 | 0 | 112.4 | L304 | L304-E328 VanDerWaalsContact CB-CD 3.44Å; L304-E328 HydrophobicContact CB-CG 4.02Å; L304-E328 WeakPolarHBondContact CB-OE1 3.35Å; L304-E328 PolarHBondContact O-N 3.21Å |
| 329 | N | 92.1 | Very high | 88.6 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141.4 | -178.9 | -68.8 | -72.3 | 0 | 0 | 0 | 109.8 | F303 L327 A331 | F303-N329 HydrophobicContact CD1-CB 4.43Å; F303-N329 WeakPolarHBondContact CD1-O 3.45Å; F303-N329 WeakPolarHBondContact CE1-O 3.33Å; L327-N329 WeakPolarHBondContact CB-O 3.23Å; N329-A331 PolarHBondContact O-N 3.17Å |
| 330 | K | 88.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 132.2 | 175 | -73.4 | -171.5 | 171.9 | -161.3 | 0 | 111 | A268 D270 T332 | A268-K330 HydrophobicContact CB-CB 4.05Å; A268-K330 HydrophobicContact CB-CD 4.46Å; D270-K330 HydrophobicContact CB-CG 3.77Å; D270-K330 VanDerWaalsContact OD1-CE 3.32Å; D270-K330 WeakPolarHBondContact OD1-CE 3Å; K330-T332 PolarHBondContact O-N 2.83Å |
| 331 | A | 90.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | A268 S269 L288 F303 N329 I337 | A268-A331 CarbonylContact C-O 3.57Å; A268-A331 WeakPolarHBondContact CA-O 3.25Å; A268-A331 WeakPolarHBondContact CB-O 3.34Å; S269-A331 PolarHBondContact N-O 3.05Å; S269-A331 WeakPolarHBondContact O-CB 3Å; S269-A331 PolarHBondContact O-N 3.33Å; L288-A331 HydrophobicContact CD1-CB 3.53Å; F303-A331 HydrophobicContact CE1-CB 4Å; F303-A331 HydrophobicContact CE2-CB 4.02Å; F303-A331 HydrophobicContact CZ-CB 3.51Å; N329-A331 PolarHBondContact O-N 3.17Å; A331-I337 HydrophobicContact CB-CG2 4.24Å |
| 332 | T | 88.8 | Confident | 88.9 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 45% | 0.448 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.3 | 173.1 | -39.7 | 0 | 0 | 0 | 0 | 111.2 | K330 | K330-T332 PolarHBondContact O-N 2.83Å |
| 333 | Y | 86 | Confident | 88.2 | Confident | 37 Ų | 37 | 50.5 Ų | 50.5 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | trans | -75.6 | 146.7 | -179.5 | -58.6 | -24.2 | 0 | 0 | 0 | 113 | L260 H262 S266 N267 S269 I337 | L260-Y333 HydrophobicContact CD2-CE1 4.03Å; H262-Y333 WeakPolarHBondContact CA-OH 3.48Å; H262-Y333 AromaticContact ND1-CE2 3.49Å; H262-Y333 WeakPolarHBondContact ND1-CE2 3.46Å; H262-Y333 AromaticContact ND1-CZ 3.66Å; H262-Y333 PolarHBondContact ND1-OH 3.01Å; S266-Y333 VanDerWaalsContact O-CE2 3.3Å; S266-Y333 WeakPolarHBondContact O-CE2 3.06Å; N267-Y333 VanDerWaalsContact C-CD2 3.46Å; N267-Y333 PolarHBondContact O-N 3.28Å; S269-Y333 WeakPolarHBondContact CB-OH 3.34Å; Y333-I337 CarbonylContact C-O 3.59Å; Y333-I337 WeakPolarHBondContact CA-O 3.47Å; Y333-I337 WeakPolarHBondContact CB-O 3.32Å | ||
| 334 | N | 84.6 | Confident | 87.2 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 28% | 0.278 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -157.8 | -170.5 | 174.2 | 61.1 | 19.9 | 0 | 0 | 0 | 109.2 | F336 I337 Q338 | N334-F336 PolarHBondContact O-N 3.01Å; N334-F336 WeakPolarHBondContact OD1-CA 3.39Å; N334-F336 PolarHBondContact OD1-N 2.89Å; N334-I337 PolarHBondContact N-O 2.74Å; N334-I337 PolarHBondContact O-N 2.97Å; N334-I337 VanDerWaalsContact O-O 3.08Å; N334-I337 PolarHBondContact OD1-N 2.8Å; N334-Q338 VanDerWaalsContact O-CG 3.3Å; N334-Q338 WeakPolarHBondContact O-CG 3.47Å |
| 335 | E | 79.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 60.6 Ų | 60.6 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -6.7 | 179.4 | 67.3 | -99.2 | -142.3 | 0 | 0 | 115.4 | Y213 Y214 | Y213-E335 HydrophobicContact CD1-CB 3.82Å; Y213-E335 HydrophobicContact CE1-CB 4.4Å; Y213-E335 HydrophobicContact CG-CB 3.98Å; Y214-E335 HydrophobicContact CE2-CB 4.04Å; Y214-E335 HydrophobicContact CE2-CG 4.1Å |
| 336 | F | 85.7 | Confident | 84 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 9% | 0.092 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -19.9 | -178.1 | -47 | -60.3 | 0 | 0 | 0 | 113.9 | Y214 H237 N299 N334 | Y214-F336 HydrophobicContact CE2-CD1 4.33Å; Y214-F336 HydrophobicContact CE2-CE1 4.12Å; H237-F336 HydrophobicContact CB-CD1 4Å; H237-F336 AromaticContact CD2-CD1 3.59Å; H237-F336 AromaticContact CD2-CE1 3.74Å; H237-F336 AromaticContact CE1-CD1 3.88Å; H237-F336 AromaticContact CG-CD1 3.51Å; H237-F336 AromaticContact ND1-CD1 3.71Å; H237-F336 AromaticContact NE2-CD1 3.86Å; H237-F336 AromaticContact NE2-CE1 3.97Å; N299-F336 HydrophobicContact CB-CD2 3.76Å; N299-F336 HydrophobicContact CB-CE2 4.05Å; N299-F336 HydrophobicContact CB-CG 4.16Å; N299-F336 VanDerWaalsContact OD1-CE2 3.31Å; N299-F336 WeakPolarHBondContact OD1-CE2 3.18Å; N334-F336 PolarHBondContact O-N 3.01Å; N334-F336 WeakPolarHBondContact OD1-CA 3.39Å; N334-F336 PolarHBondContact OD1-N 2.89Å |
| 337 | I | 90.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -134.3 | 114.1 | -175.1 | -59.3 | 173.1 | 0 | 0 | 0 | 107.8 | P240 L260 L288 K301 A331 Y333 N334 | P240-I337 WeakPolarHBondContact O-CA 3.47Å; L260-I337 HydrophobicContact CD2-CG2 3.63Å; L288-I337 HydrophobicContact CB-CD1 3.96Å; L288-I337 HydrophobicContact CB-CG1 4.07Å; L288-I337 HydrophobicContact CB-CG2 4.4Å; L288-I337 HydrophobicContact CD1-CG2 4.19Å; K301-I337 HydrophobicContact CB-CD1 4.32Å; K301-I337 HydrophobicContact CD-CD1 4.07Å; K301-I337 HydrophobicContact CG-CD1 4.3Å; A331-I337 HydrophobicContact CB-CG2 4.24Å; Y333-I337 CarbonylContact C-O 3.59Å; Y333-I337 WeakPolarHBondContact CA-O 3.47Å; Y333-I337 WeakPolarHBondContact CB-O 3.32Å; N334-I337 PolarHBondContact N-O 2.74Å; N334-I337 PolarHBondContact O-N 2.97Å; N334-I337 VanDerWaalsContact O-O 3.08Å; N334-I337 PolarHBondContact OD1-N 2.8Å |
| 338 | Q | 88.8 | Confident | 80.8 | Confident | 34 Ų | 34 | 74 Ų | 74 | 16% | 0.159 | 39% | 0.387 | C | S | . | . | trans | -145.4 | 152.5 | 177.6 | -58.2 | 179.8 | -96 | 0 | 0 | 109.5 | Q211 Y213 P240 W241 N334 | Q211-Q338 PolarHBondContact O-NE2 2.92Å; Q211-Q338 PolarHBondContact O-OE1 3.26Å; Y213-Q338 VanDerWaalsContact N-OE1 3.11Å; P240-Q338 CarbonylContact C-O 3.5Å; P240-Q338 HydrophobicContact CB-CB 4.03Å; P240-Q338 HydrophobicContact CB-CG 4.08Å; P240-Q338 HydrophobicContact CG-CB 3.89Å; P240-Q338 HydrophobicContact CG-CG 4.07Å; P240-Q338 PolarHBondContact O-N 2.78Å; P240-Q338 VanDerWaalsContact O-N 3.07Å; W241-Q338 WeakPolarHBondContact CA-O 3.42Å; W241-Q338 WeakPolarHBondContact CB-O 3.45Å; W241-Q338 PolarHBondContact N-O 2.84Å; N334-Q338 VanDerWaalsContact O-CG 3.3Å; N334-Q338 WeakPolarHBondContact O-CG 3.47Å | ||
| 339 | G | 88 | Confident | 79.1 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 140.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C209 G210 L260 | C209-G339 WeakPolarHBondContact CA-O 3.35Å; C209-G339 WeakPolarHBondContact CB-O 3.34Å; G210-G339 PolarHBondContact N-O 3.14Å; L260-G339 CarbonylContact O-C 3.58Å; L260-G339 WeakPolarHBondContact O-CA 3.43Å |
| 340 | V | 90.2 | Very high | 77.3 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 22% | 0.218 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 143.7 | 165.2 | 72.4 | 0 | 0 | 0 | 0 | 110 | W241 L260 I261 H262 | W241-V340 HydrophobicContact CB-CB 3.94Å; W241-V340 HydrophobicContact CB-CG1 4.33Å; W241-V340 HydrophobicContact CD2-CB 3.99Å; W241-V340 HydrophobicContact CD2-CG2 4.35Å; W241-V340 HydrophobicContact CE3-CB 4.33Å; W241-V340 HydrophobicContact CG-CB 3.81Å; W241-V340 HydrophobicContact CG-CG1 4.41Å; L260-V340 PolarHBondContact O-N 2.9Å; I261-V340 HydrophobicContact CD1-CG1 4.05Å; H262-V340 PolarHBondContact N-O 2.84Å |
| 341 | C | 82.3 | Confident | 75.4 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 144.1 | 176.4 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | C209 | C209-C341 HydrophobicContact CB-CB 4.18Å; C209-C341 WeakPolarHBondContact CB-SG 3.46Å; C209-C341 PolarHBondContact O-SG 2.95Å; C209-C341 VanDerWaalsContact O-SG 3.36Å; C209-C341 WeakPolarHBondContact SG-CB 3.48Å; C209-C341 CovalentContact SG-SG 2.04Å; C209-C341 PolarHBondContact SG-SG 2.04Å |
| 342 | L | 79.8 | Confident | 73.4 | Confident | 88 Ų | 88 | 81.1 Ų | 81.1 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 146.7 | 162.9 | -82.5 | 170.4 | 0 | 0 | 0 | 110.1 | I261 L273 | I261-L342 HydrophobicContact CD1-CD2 3.98Å; I261-L342 HydrophobicContact CD1-CG 4.15Å; I261-L342 HydrophobicContact CG2-CD1 3.65Å; I261-L342 HydrophobicContact CG2-CG 3.72Å; L273-L342 HydrophobicContact CD2-CD2 4.43Å |
| 343 | P | 76.4 | Confident | 71.3 | Confident | 90 Ų | 90 | 84 Ų | 84 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 157.6 | 167 | 30.8 | -35.1 | 0 | 0 | 0 | 110.6 | E347 | P343-E347 HydrophobicContact CB-CB 4.33Š|
| 344 | T | 71.3 | Confident | 69.6 | Low | 102 Ų | 102 | 91.4 Ų | 91.4 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 156.3 | 172.5 | 57.7 | 0 | 0 | 0 | 0 | 111 | D346 E347 | T344-D346 PolarHBondContact O-N 2.98Å; T344-E347 PolarHBondContact N-OE2 2.83Å; T344-E347 WeakPolarHBondContact O-CB 3.48Å; T344-E347 PolarHBondContact O-N 3.47Å; T344-E347 VanDerWaalsContact O-N 3.1Å |
| 345 | Q | 61.4 | Low | 68.4 | Low | 174 Ų | 174 | 98.5 Ų | 98.5 | 81% | 0.813 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 134.9 | 171.1 | -172.6 | 170.1 | -6.7 | 0 | 0 | 109.6 | E347 | Q345-E347 PolarHBondContact O-N 3.39Š|
| 346 | D | 60.6 | Low | 67.8 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 75% | 0.749 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 18.1 | -176.9 | -46.8 | -40.9 | 0 | 0 | 0 | 116 | T344 N348 | T344-D346 PolarHBondContact O-N 2.98Å; D346-N348 PolarHBondContact O-N 2.92Å |
| 347 | E | 62.7 | Low | 67.1 | Low | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 55% | 0.553 | S | S | . | * | trans | -69 | 101 | 171.3 | -168.1 | 168 | -160.7 | 0 | 0 | 111.2 | K201 P343 T344 Q345 | K201-E347 IonicContact NZ-OE1 3.94Å; P343-E347 HydrophobicContact CB-CB 4.33Å; T344-E347 PolarHBondContact N-OE2 2.83Å; T344-E347 WeakPolarHBondContact O-CB 3.48Å; T344-E347 PolarHBondContact O-N 3.47Å; T344-E347 VanDerWaalsContact O-N 3.1Å; Q345-E347 PolarHBondContact O-N 3.39Å | ||
| 348 | N | 58.1 | Low | 66.4 | Low | 141 Ų | 141 | 109.6 Ų | 109.6 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 144.9 | 172.5 | -72.5 | -60.4 | 0 | 0 | 0 | 111.6 | D346 | D346-N348 PolarHBondContact O-N 2.92Š|
| 349 | L | 55.3 | Low | 66.1 | Low | 162 Ų | 162 | 109.2 Ų | 109.2 | 85% | 0.848 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.8 | 167.6 | -69.5 | 172 | 0 | 0 | 0 | 109.5 | ||
| 350 | P | 54.1 | Low | 65.9 | Low | 73 Ų | 73 | 110.9 Ų | 110.9 | 47% | 0.474 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -62.9 | 146.8 | -179.9 | -19.8 | 29.8 | 0 | 0 | 0 | 112.7 | A352 | P350-A352 PolarHBondContact O-N 2.72Š|
| 351 | D | 49.4 | Very low | 65.4 | Low | 183 Ų | 183 | 112 Ų | 112 | 98% | 0.979 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -61 | -1.1 | 179.5 | -66.2 | -46.1 | 0 | 0 | 0 | 115.7 | ||
| 352 | A | 48.1 | Very low | 64.7 | Low | 64 Ų | 64 | 112.2 Ų | 112.2 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -116.2 | 140.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P350 R354 | P350-A352 PolarHBondContact O-N 2.72Å; A352-R354 PolarHBondContact O-N 2.75Å; A352-R354 VanDerWaalsContact O-N 3.12Å |
| 353 | P | 43.9 | Very low | 63.4 | Low | 134 Ų | 134 | 115.4 Ų | 115.4 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | trans | -62.7 | 116.9 | -179.8 | 26 | -34.2 | 0 | 0 | 0 | 111.2 | ||||
| 354 | R | 50.5 | Low | 62 | Low | 193 Ų | 193 | 113.6 Ų | 113.6 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | trans | -99.2 | 151.1 | 165.2 | -84.1 | -174.6 | 170.2 | 176.7 | -2.5 | 110.3 | A352 | A352-R354 PolarHBondContact O-N 2.75Å; A352-R354 VanDerWaalsContact O-N 3.12Å | ||
| 355 | Y | 60 | Low | 60.3 | Low | 201 Ų | 201 | 110.7 Ų | 110.7 | 79% | 0.788 | 61% | 0.605 | S | S | * | * | trans | -81.5 | 113.5 | 167.8 | -62.3 | -74.5 | 0 | 0 | 0 | 109.3 | ||||
| 356 | C | 66.2 | Low | 58.9 | Low | 116 Ų | 116 | 106 Ų | 106 | 78% | 0.784 | 59% | 0.588 | S | S | * | * | trans | -95 | 146.3 | 168.1 | -63.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 357 | M | 70.9 | Confident | 57.6 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | trans | -108.8 | 139.8 | 174.7 | -64.5 | -174.2 | -178.1 | 0 | 0 | 110 | P216 L218 | P216-M357 HydrophobicContact CB-CE 4.33Å; P216-M357 HydrophobicContact CB-SD 3.7Å; P216-M357 HydrophobicContact CG-CE 3.9Å; P216-M357 HydrophobicContact CG-SD 3.45Å; P216-M357 WeakPolarHBondContact CG-SD 3.24Å; L218-M357 HydrophobicContact CD2-CE 4.11Å | ||
| 358 | V | 77 | Confident | 56.2 | Low | 131 Ų | 131 | 102.3 Ų | 102.3 | 79% | 0.794 | 57% | 0.571 | S | S | * | * | trans | -118.1 | 128.4 | 174.1 | -179 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 359 | A | 82.2 | Confident | 54.9 | Low | 26 Ų | 26 | 98.4 Ų | 98.4 | 22% | 0.215 | 55% | 0.55 | C | S | . | . | trans | -134.4 | 151.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H239 Q242 | H239-A359 HydrophobicContact CB-CB 4.4Å; Q242-A359 PolarHBondContact NE2-O 3.13Å; Q242-A359 PolarHBondContact OE1-O 2.97Å | ||
| 360 | G | 82.9 | Confident | 53.9 | Low | 35 Ų | 35 | 94.5 Ų | 94.5 | 36% | 0.361 | 52% | 0.524 | S | S | . | . | trans | 173.3 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 361 | W | 79.7 | Confident | 53.4 | Low | 60 Ų | 60 | 93.8 Ų | 93.8 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | trans | -114.6 | 145 | 171.6 | -49.8 | -85.6 | 0 | 0 | 0 | 108.6 | Q242 L244 V290 H291 T293 | Q242-W361 HydrophobicContact CB-CH2 3.87Å; Q242-W361 HydrophobicContact CB-CZ3 4.42Å; Q242-W361 HydrophobicContact CG-CE3 4.28Å; Q242-W361 HydrophobicContact CG-CH2 3.24Å; Q242-W361 HydrophobicContact CG-CZ2 4.01Å; Q242-W361 HydrophobicContact CG-CZ3 3.4Å; L244-W361 HydrophobicContact CB-CE3 4.05Å; L244-W361 HydrophobicContact CB-CH2 4.15Å; L244-W361 HydrophobicContact CB-CZ3 3.65Å; L244-W361 HydrophobicContact CD1-CB 4.48Å; L244-W361 HydrophobicContact CD1-CD2 4.04Å; L244-W361 HydrophobicContact CD1-CE3 3.56Å; L244-W361 HydrophobicContact CD1-CG 4.45Å; L244-W361 HydrophobicContact CD1-CZ3 4.09Å; L244-W361 HydrophobicContact CG-CE3 4.43Å; V290-W361 HydrophobicContact CB-CH2 4.08Å; V290-W361 HydrophobicContact CB-CZ2 3.76Å; V290-W361 HydrophobicContact CG1-CH2 4.48Å; V290-W361 HydrophobicContact CG1-CZ2 3.83Å; V290-W361 WeakPolarHBondContact O-CZ2 3.31Å; H291-W361 PolarHBondContact O-NE1 3.1Å; T293-W361 HydrophobicContact CG2-CB 3.88Å; T293-W361 HydrophobicContact CG2-CD2 4.11Å; T293-W361 HydrophobicContact CG2-CG 3.57Å | ||
| 362 | G | 68.2 | Low | 53 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 176 | -167.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | L364 | G362-L364 PolarHBondContact O-N 3.31Š|
| 363 | L | 53.5 | Low | 52.7 | Low | 156 Ų | 156 | 91 Ų | 91 | 82% | 0.817 | 50% | 0.497 | S | S | * | . | trans | -60.3 | 101.1 | 168 | -91.1 | 150.1 | 0 | 0 | 0 | 109 | ||||
| 364 | L | 46.1 | Very low | 53.1 | Low | 52 Ų | 52 | 86.4 Ų | 86.4 | 27% | 0.272 | 47% | 0.474 | S | S | . | . | trans | -60.1 | 141.1 | 170.8 | -48.7 | 173.6 | 0 | 0 | 0 | 107.2 | R227 G362 T366 | R227-L364 HydrophobicContact CB-CD2 4.39Å; R227-L364 HydrophobicContact CG-CD1 3.97Å; R227-L364 HydrophobicContact CG-CD2 4.02Å; R227-L364 HydrophobicContact CG-CG 4.43Å; R227-L364 WeakPolarHBondContact O-CA 3.07Å; R227-L364 WeakPolarHBondContact O-CB 3.36Å; R227-L364 VanDerWaalsContact O-CD2 3.27Å; R227-L364 WeakPolarHBondContact O-CD2 3.26Å; G362-L364 PolarHBondContact O-N 3.31Å; L364-T366 HydrophobicContact CB-CG2 3.99Å; L364-T366 HydrophobicContact CD1-CG2 4.31Å; L364-T366 PolarHBondContact O-N 2.82Å | ||
| 365 | D | 34.9 | Very low | 53.5 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 22% | 0.219 | 48% | 0.48 | C | S | . | . | trans | -77.8 | 60.8 | 166.5 | -167.5 | 21.2 | 0 | 0 | 0 | 109.7 | S226 V367 N369 | S226-D365 PolarHBondContact OG-O 2.95Å; D365-V367 PolarHBondContact O-N 3.29Å; D365-N369 WeakPolarHBondContact OD1-CA 3.39Å; D365-N369 PolarHBondContact OD1-N 3.16Å | ||
| 366 | T | 33.3 | Very low | 53.5 | Low | 74 Ų | 74 | 81.4 Ų | 81.4 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.4 | 72.4 | 161.8 | 45.6 | 0 | 0 | 0 | 0 | 107.9 | L364 E368 | L364-T366 HydrophobicContact CB-CG2 3.99Å; L364-T366 HydrophobicContact CD1-CG2 4.31Å; L364-T366 PolarHBondContact O-N 2.82Å; T366-E368 PolarHBondContact O-N 3.33Å |
| 367 | V | 32.8 | Very low | 53.5 | Low | 64 Ų | 64 | 78 Ų | 78 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 69.1 | 0.2 | 164.3 | -176.6 | 0 | 0 | 0 | 0 | 114.9 | D365 R370 I447 | D365-V367 PolarHBondContact O-N 3.29Å; V367-R370 PolarHBondContact O-NE 3Å; V367-R370 VanDerWaalsContact O-NE 3.15Å; V367-R370 PolarHBondContact O-NH2 3.01Å; V367-I447 HydrophobicContact CB-CD1 4.02Å; V367-I447 HydrophobicContact CB-CG1 4.5Å; V367-I447 HydrophobicContact CG1-CD1 4.19Å; V367-I447 HydrophobicContact CG1-CG1 4.12Å |
| 368 | E | 32.6 | Very low | 53.5 | Low | 94 Ų | 94 | 82 Ų | 82 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -113.8 | -17.3 | -168.3 | -72.4 | -177.7 | 177.1 | 0 | 0 | 115.3 | T366 I445 I447 | T366-E368 PolarHBondContact O-N 3.33Å; E368-I445 HydrophobicContact CG-CG2 4.22Å; E368-I445 WeakPolarHBondContact OE1-CG2 3.38Å; E368-I447 HydrophobicContact CG-CD1 4.29Å |
| 369 | N | 31.7 | Very low | 53.1 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 32% | 0.316 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -118.6 | 52.7 | 169.2 | -83.6 | -36.6 | 0 | 0 | 0 | 110.8 | D365 I371 | D365-N369 WeakPolarHBondContact OD1-CA 3.39Å; D365-N369 PolarHBondContact OD1-N 3.16Å; N369-I371 PolarHBondContact O-N 3.16Å |
| 370 | R | 34.4 | Very low | 52.4 | Low | 81 Ų | 81 | 83.6 Ų | 83.6 | 31% | 0.306 | 45% | 0.454 | S | S | . | . | trans | -62.4 | 7.1 | -164 | -150.5 | 178 | -62 | 170 | 6.4 | 117.3 | V367 D513 | V367-R370 PolarHBondContact O-NE 3Å; V367-R370 VanDerWaalsContact O-NE 3.15Å; V367-R370 PolarHBondContact O-NH2 3.01Å; R370-D513 WeakPolarHBondContact CD-OD2 3.42Å; R370-D513 HydrophobicContact CG-CB 4.15Å; R370-D513 IonicContact NH1-OD2 2.78Å | ||
| 371 | I | 42.9 | Very low | 52.2 | Low | 58 Ų | 58 | 84 Ų | 84 | 30% | 0.297 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -123.2 | 109.4 | 175.9 | -55.5 | 176.7 | 0 | 0 | 0 | 106.3 | N369 N373 G374 V511 | N369-I371 PolarHBondContact O-N 3.16Å; I371-N373 PolarHBondContact O-N 3.23Å; I371-G374 WeakPolarHBondContact O-CA 3.39Å; I371-G374 PolarHBondContact O-N 3.43Å; I371-V511 WeakPolarHBondContact CD1-O 3.43Å |
| 372 | A | 41.3 | Very low | 52.4 | Low | 38 Ų | 38 | 83.2 Ų | 83.2 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G374 | A372-G374 PolarHBondContact O-N 2.89Š|
| 373 | N | 42.7 | Very low | 53.4 | Low | 150 Ų | 150 | 81 Ų | 81 | 80% | 0.802 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 11.4 | -171.7 | -52.7 | -46.7 | 0 | 0 | 0 | 115.5 | I371 D545 | I371-N373 PolarHBondContact O-N 3.23Å; N373-D545 PolarHBondContact ND2-OD2 2.82Å; N373-D545 VanDerWaalsContact ND2-OD2 3.11Å |
| 374 | G | 51.9 | Low | 55.2 | Low | 38 Ų | 38 | 74.3 Ų | 74.3 | 39% | 0.392 | 39% | 0.389 | S | S | . | . | trans | -82 | 162.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | I371 A372 | I371-G374 WeakPolarHBondContact O-CA 3.39Å; I371-G374 PolarHBondContact O-N 3.43Å; A372-G374 PolarHBondContact O-N 2.89Å | ||
| 375 | I | 58.9 | Low | 57.3 | Low | 166 Ų | 166 | 74.8 Ų | 74.8 | 85% | 0.851 | 39% | 0.39 | S | S | * | . | trans | -105.6 | 143.8 | 170.5 | -55.7 | 172.6 | 0 | 0 | 0 | 107 | A377 | I375-A377 PolarHBondContact O-N 3.46Š| ||
| 376 | E | 60.1 | Low | 60 | Low | 123 Ų | 123 | 72.9 Ų | 72.9 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 119.9 | 171.8 | -168 | -163.6 | 155.7 | 0 | 0 | 109.2 | K378 H444 | E376-K378 PolarHBondContact O-N 3.37Å; E376-H444 IonicContact OE1-CD2 2.76Å; E376-H444 IonicContact OE1-CE1 2.83Å; E376-H444 IonicContact OE1-NE2 2.7Å; E376-H444 PolarHBondContact OE1-NE2 3.47Å |
| 377 | A | 65.7 | Low | 62.7 | Low | 43 Ų | 43 | 70 Ų | 70 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 133.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | I375 R379 H444 | I375-A377 PolarHBondContact O-N 3.46Å; A377-R379 PolarHBondContact O-N 2.9Å; A377-H444 PolarHBondContact O-CE1 2.95Å |
| 378 | K | 70.2 | Confident | 65.4 | Low | 175 Ų | 175 | 67.1 Ų | 67.1 | 76% | 0.761 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 134.1 | 174.4 | 179.8 | 178.1 | -178.1 | 176.9 | 0 | 109.3 | E376 H380 S381 | E376-K378 PolarHBondContact O-N 3.37Å; K378-H380 PolarHBondContact O-N 3.29Å; K378-H380 VanDerWaalsContact O-N 3.16Å; K378-S381 PolarHBondContact N-OG 3.47Å; K378-S381 WeakPolarHBondContact O-CB 3.42Å; K378-S381 PolarHBondContact O-N 3Å; K378-S381 PolarHBondContact O-OG 3.49Å |
| 379 | R | 68.8 | Low | 67.9 | Low | 114 Ų | 114 | 65.2 Ų | 65.2 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | 124.2 | -177.3 | -137.6 | -175.9 | -158.2 | -104.8 | -0.1 | 111.4 | A377 S381 H444 | A377-R379 PolarHBondContact O-N 2.9Å; R379-S381 VanDerWaalsContact C-N 3.3Å; R379-S381 PolarHBondContact O-N 3.03Å; R379-H444 HydrophobicContact CG-CB 4.05Å; R379-H444 VanDerWaalsContact CG-CG 3.49Å |
| 380 | H | 67.5 | Low | 70.2 | Confident | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.347 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 13.9 | 179.8 | -35.1 | 128.9 | 0 | 0 | 0 | 116.6 | K378 H382 F489 | K378-H380 PolarHBondContact O-N 3.29Å; K378-H380 VanDerWaalsContact O-N 3.16Å; H380-H382 VanDerWaalsContact C-N 3.31Å; H380-H382 PolarHBondContact O-N 3.24Å; H380-F489 AromaticContact CD2-CD1 3.57Å; H380-F489 AromaticContact CE1-CE1 3.66Å; H380-F489 AromaticContact CG-CD1 3.8Å; H380-F489 AromaticContact ND1-CD1 3.95Å; H380-F489 AromaticContact ND1-CE1 3.86Å; H380-F489 AromaticContact NE2-CD1 3.74Å; H380-F489 AromaticContact NE2-CE1 3.93Å |
| 381 | S | 78.2 | Confident | 72 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 32% | 0.315 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -71.6 | -19.6 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 114.9 | K378 R379 P383 | K378-S381 PolarHBondContact N-OG 3.47Å; K378-S381 WeakPolarHBondContact O-CB 3.42Å; K378-S381 PolarHBondContact O-N 3Å; K378-S381 PolarHBondContact O-OG 3.49Å; R379-S381 VanDerWaalsContact C-N 3.3Å; R379-S381 PolarHBondContact O-N 3.03Å; S381-P383 VanDerWaalsContact C-CD 3.48Å; S381-P383 WeakPolarHBondContact O-CD 3.04Å |
| 382 | H | 85.1 | Confident | 72.8 | Confident | 42 Ų | 42 | 62.8 Ų | 62.8 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | trans | -127 | 67.7 | -177.7 | -62.2 | 81.1 | 0 | 0 | 0 | 110.5 | H380 W384 Q385 | H380-H382 VanDerWaalsContact C-N 3.31Å; H380-H382 PolarHBondContact O-N 3.24Å; H382-W384 HydrophobicContact CB-CZ2 4.37Å; H382-W384 AromaticContact CD2-CZ2 3.75Å; H382-W384 PolarHBondContact O-N 3.41Å; H382-W384 VanDerWaalsContact O-N 3.09Å; H382-Q385 WeakPolarHBondContact O-CB 3.35Å; H382-Q385 PolarHBondContact O-N 3.3Å; H382-Q385 VanDerWaalsContact O-N 3.14Å | ||
| 383 | P | 88.6 | Confident | 73.5 | Confident | 12 Ų | 12 | 67.6 Ų | 67.6 | 8% | 0.078 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -7.8 | -169.5 | 28.3 | -37.1 | 0 | 0 | 0 | 115.3 | S381 V490 Q491 | S381-P383 VanDerWaalsContact C-CD 3.48Å; S381-P383 WeakPolarHBondContact O-CD 3.04Å; P383-V490 WeakPolarHBondContact O-CA 3.14Å; P383-Q491 HydrophobicContact CB-CB 3.95Å; P383-Q491 HydrophobicContact CB-CG 3.93Å; P383-Q491 HydrophobicContact CG-CB 3.83Å; P383-Q491 HydrophobicContact CG-CG 3.94Å; P383-Q491 PolarHBondContact O-N 3.01Å |
| 384 | W | 90.8 | Very high | 74 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 6% | 0.061 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.2 | 173.8 | 48.4 | 79.8 | 0 | 0 | 0 | 114.4 | H382 A386 S402 L403 Q491 V493 T519 Y526 | H382-W384 HydrophobicContact CB-CZ2 4.37Å; H382-W384 AromaticContact CD2-CZ2 3.75Å; H382-W384 PolarHBondContact O-N 3.41Å; H382-W384 VanDerWaalsContact O-N 3.09Å; W384-A386 PolarHBondContact O-N 2.92Å; W384-S402 WeakPolarHBondContact O-CA 3.39Å; W384-L403 PolarHBondContact O-N 3.1Å; W384-Q491 WeakPolarHBondContact CA-O 3.38Å; W384-Q491 WeakPolarHBondContact CB-O 3.17Å; W384-Q491 PolarHBondContact N-O 3.4Å; W384-V493 HydrophobicContact CB-CB 3.89Å; W384-V493 HydrophobicContact CB-CG1 4.32Å; W384-V493 HydrophobicContact CD2-CB 3.95Å; W384-V493 HydrophobicContact CD2-CG2 4.29Å; W384-V493 HydrophobicContact CE3-CB 4.35Å; W384-V493 HydrophobicContact CG-CB 3.71Å; W384-V493 HydrophobicContact CG-CG1 4.34Å; W384-V493 HydrophobicContact CG-CG2 4.42Å; W384-T519 HydrophobicContact CZ2-CG2 4.5Å; W384-Y526 HydrophobicContact CH2-CD1 4.17Å; W384-Y526 AromaticContact CH2-CD2 3.47Å; W384-Y526 HydrophobicContact CH2-CD2 3.47Å; W384-Y526 VanDerWaalsContact CH2-CD2 3.47Å; W384-Y526 HydrophobicContact CH2-CE2 4.03Å; W384-Y526 AromaticContact CH2-CG 3.53Å; W384-Y526 HydrophobicContact CH2-CG 3.53Å; W384-Y526 HydrophobicContact CZ2-CD1 4.13Å; W384-Y526 HydrophobicContact CZ2-CD2 4.25Å; W384-Y526 AromaticContact CZ2-CG 3.89Å; W384-Y526 HydrophobicContact CZ2-CG 3.89Å; W384-Y526 HydrophobicContact CZ3-CD2 4.24Å; W384-Y526 HydrophobicContact CZ3-CG 4.4Å |
| 385 | Q | 91 | Very high | 73.9 | Confident | 62 Ų | 62 | 70 Ų | 70 | 29% | 0.29 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.6 | -177.1 | -172.7 | 65.6 | 12.2 | 0 | 0 | 111 | H382 | H382-Q385 WeakPolarHBondContact O-CB 3.35Å; H382-Q385 PolarHBondContact O-N 3.3Å; H382-Q385 VanDerWaalsContact O-N 3.14Å |
| 386 | A | 91.2 | Very high | 73.4 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W384 G401 V415 V439 L441 | W384-A386 PolarHBondContact O-N 2.92Å; A386-G401 PolarHBondContact N-O 3.34Å; A386-G401 PolarHBondContact O-N 3.3Å; A386-V415 HydrophobicContact CB-CG1 3.85Å; A386-V415 HydrophobicContact CB-CG2 4.48Å; A386-V439 HydrophobicContact CB-CG1 4.1Å; A386-L441 HydrophobicContact CB-CD2 3.56Å |
| 387 | L | 90 | Very high | 73.5 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.4 | 168.7 | -178.5 | 78.9 | 0 | 0 | 0 | 108.8 | F398 V439 Y440 M443 A446 | L387-F398 HydrophobicContact CD1-CB 4.06Å; L387-F398 HydrophobicContact CD1-CD1 3.94Å; L387-F398 HydrophobicContact CD1-CG 4.33Å; L387-F398 HydrophobicContact CD2-CD1 4.06Å; L387-F398 HydrophobicContact CD2-CE1 4.33Å; L387-F398 HydrophobicContact CG-CD1 4.14Å; L387-V439 WeakPolarHBondContact O-CA 3.46Å; L387-Y440 PolarHBondContact N-O 2.94Å; L387-Y440 PolarHBondContact O-N 3.18Å; L387-M443 HydrophobicContact CD2-SD 3.83Å; L387-A446 HydrophobicContact CD1-CB 3.91Å; L387-A446 HydrophobicContact CD2-CB 3.73Å; L387-A446 HydrophobicContact CG-CB 4.47Å |
| 388 | I | 89.9 | Confident | 74.1 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.8 | 175.8 | -58.9 | 175.6 | 0 | 0 | 0 | 108.4 | F398 C399 V415 T417 V437 V439 L478 | I388-F398 CarbonylContact O-C 3.55Å; I388-F398 VanDerWaalsContact O-CA 3.32Å; I388-F398 WeakPolarHBondContact O-CA 3.32Å; I388-C399 HydrophobicContact CB-CB 4.33Å; I388-C399 PolarHBondContact N-O 3.43Å; I388-C399 PolarHBondContact O-N 2.96Å; I388-V415 HydrophobicContact CD1-CG1 4.26Å; I388-T417 HydrophobicContact CD1-CG2 3.5Å; I388-T417 VanDerWaalsContact CD1-CG2 3.5Å; I388-T417 WeakPolarHBondContact CD1-OG1 3.42Å; I388-V437 HydrophobicContact CG2-CG1 3.79Å; I388-V439 HydrophobicContact CG1-CG2 4.45Å; I388-L478 HydrophobicContact CD1-CD1 3.78Å; I388-L478 HydrophobicContact CG1-CD1 4.24Å; I388-L478 HydrophobicContact CG2-CD1 4.21Å |
| 389 | Y | 85.4 | Confident | 74.9 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.2 | -177.1 | 178 | -116 | 0 | 0 | 0 | 110.3 | K391 L396 F398 V437 E438 | Y389-K391 HydrophobicContact CD1-CG 4.39Å; Y389-K391 HydrophobicContact CE1-CG 3.74Å; Y389-L396 HydrophobicContact CE2-CD2 3.68Å; Y389-F398 AromaticContact CD2-CD1 3.77Å; Y389-F398 HydrophobicContact CD2-CD1 3.77Å; Y389-F398 AromaticContact CD2-CE1 3.39Å; Y389-F398 HydrophobicContact CD2-CE1 3.39Å; Y389-F398 HydrophobicContact CD2-CZ 4.08Å; Y389-F398 AromaticContact CE2-CE1 3.87Å; Y389-F398 HydrophobicContact CE2-CE1 3.87Å; Y389-F398 HydrophobicContact CE2-CZ 4.11Å; Y389-F398 HydrophobicContact CG-CE1 4.39Å; Y389-V437 WeakPolarHBondContact O-CA 3.2Å; Y389-E438 HydrophobicContact CD1-CB 4.31Å; Y389-E438 PolarHBondContact N-O 2.84Å; Y389-E438 PolarHBondContact O-N 2.86Å |
| 390 | K | 79.6 | Confident | 75.8 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118.3 | 174 | 179.7 | 174.6 | 163.9 | 168.9 | 0 | 109.8 | T392 K397 T423 D424 T432 | K390-T392 HydrophobicContact CD-CG2 4.03Å; K390-T392 HydrophobicContact CG-CG2 3.81Å; K390-T392 PolarHBondContact O-N 2.69Å; K390-K397 PolarHBondContact N-O 2.89Å; K390-K397 VanDerWaalsContact N-O 3.14Å; K390-T423 PolarHBondContact NZ-O 3.24Å; K390-D424 IonicContact NZ-OD1 3.97Å; K390-D424 PolarHBondContact NZ-OD1 2.84Å; K390-D424 VanDerWaalsContact NZ-OD1 3.13Å; K390-T432 HydrophobicContact CD-CG2 3.92Å; K390-T432 VanDerWaalsContact CE-OG1 3.24Å; K390-T432 WeakPolarHBondContact CE-OG1 3.24Å; K390-T432 HydrophobicContact CG-CG2 4.05Å; K390-T432 PolarHBondContact NZ-OG1 3.33Å |
| 391 | K | 72.4 | Confident | 77 | Confident | 87 Ų | 87 | 51.9 Ų | 51.9 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | trans | -68 | 117.1 | 169.4 | -65.2 | 172.8 | -167.6 | 148.1 | 0 | 108.9 | Y389 D436 E438 | Y389-K391 HydrophobicContact CD1-CG 4.39Å; Y389-K391 HydrophobicContact CE1-CG 3.74Å; K391-D436 HydrophobicContact CB-CB 4.38Å; K391-D436 PolarHBondContact N-O 2.97Å; K391-E438 WeakPolarHBondContact CE-OE1 3.38Å; K391-E438 IonicContact NZ-OE1 3.87Å; K391-E438 PolarHBondContact NZ-OE1 3.44Å | ||
| 392 | T | 60.4 | Low | 77.8 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -131.9 | 152.4 | 165.5 | 86.4 | 0 | 0 | 0 | 0 | 110 | K390 E394 V395 | K390-T392 HydrophobicContact CD-CG2 4.03Å; K390-T392 HydrophobicContact CG-CG2 3.81Å; K390-T392 PolarHBondContact O-N 2.69Å; T392-E394 VanDerWaalsContact C-N 3.29Å; T392-E394 PolarHBondContact O-N 3.26Å; T392-V395 PolarHBondContact OG1-N 2.8Å; T392-V395 PolarHBondContact OG1-O 2.88Å | ||
| 393 | P | 55.6 | Low | 78.2 | Confident | 138 Ų | 138 | 47.8 Ų | 47.8 | 90% | 0.896 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -69.1 | -24 | -174.8 | -20.4 | 33.4 | 0 | 0 | 0 | 114.6 | ||
| 394 | E | 52.1 | Low | 78.2 | Confident | 144 Ų | 144 | 47.3 Ų | 47.3 | 67% | 0.673 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -110.4 | -29.1 | -166.7 | -67.8 | 171.2 | -174.5 | 0 | 0 | 113.7 | T392 R426 | T392-E394 VanDerWaalsContact C-N 3.29Å; T392-E394 PolarHBondContact O-N 3.26Å; E394-R426 IonicContact OE1-NH2 3.8Å; E394-R426 PolarHBondContact OE1-NH2 3.16Å; E394-R426 IonicContact OE2-CZ 2.68Å; E394-R426 IonicContact OE2-NH2 3.93Å; E394-R426 PolarHBondContact OE2-NH2 2.6Å |
| 395 | V | 49.5 | Very low | 77.9 | Confident | 96 Ų | 96 | 48.2 Ų | 48.2 | 58% | 0.582 | 25% | 0.247 | S | C | * | . | trans | -147.5 | 133.5 | -175.7 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | T392 K397 | T392-V395 PolarHBondContact OG1-N 2.8Å; T392-V395 PolarHBondContact OG1-O 2.88Å; V395-K397 PolarHBondContact O-N 3.15Å | ||
| 396 | L | 48.5 | Very low | 76.7 | Confident | 118 Ų | 118 | 49 Ų | 49 | 62% | 0.618 | 25% | 0.248 | S | C | * | . | trans | -66.7 | 110.5 | 167 | -73.3 | 163.8 | 0 | 0 | 0 | 109.7 | Y389 F398 | Y389-L396 HydrophobicContact CE2-CD2 3.68Å; L396-F398 HydrophobicContact CB-CE2 3.98Å; L396-F398 HydrophobicContact CD2-CZ 4.43Å | ||
| 397 | K | 62.2 | Low | 75.2 | Confident | 102 Ų | 102 | 50.7 Ų | 50.7 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.6 | 175.4 | -115.5 | -171.8 | 174.2 | -165.4 | 0 | 110.2 | K390 V395 | K390-K397 PolarHBondContact N-O 2.89Å; K390-K397 VanDerWaalsContact N-O 3.14Å; V395-K397 PolarHBondContact O-N 3.15Å |
| 398 | F | 78.7 | Confident | 73.5 | Confident | 79 Ų | 79 | 59 Ų | 59 | 35% | 0.346 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.2 | 169.9 | -54.8 | -85.8 | 0 | 0 | 0 | 109.4 | L387 I388 Y389 L396 | L387-F398 HydrophobicContact CD1-CB 4.06Å; L387-F398 HydrophobicContact CD1-CD1 3.94Å; L387-F398 HydrophobicContact CD1-CG 4.33Å; L387-F398 HydrophobicContact CD2-CD1 4.06Å; L387-F398 HydrophobicContact CD2-CE1 4.33Å; L387-F398 HydrophobicContact CG-CD1 4.14Å; I388-F398 CarbonylContact O-C 3.55Å; I388-F398 VanDerWaalsContact O-CA 3.32Å; I388-F398 WeakPolarHBondContact O-CA 3.32Å; Y389-F398 AromaticContact CD2-CD1 3.77Å; Y389-F398 HydrophobicContact CD2-CD1 3.77Å; Y389-F398 AromaticContact CD2-CE1 3.39Å; Y389-F398 HydrophobicContact CD2-CE1 3.39Å; Y389-F398 HydrophobicContact CD2-CZ 4.08Å; Y389-F398 AromaticContact CE2-CE1 3.87Å; Y389-F398 HydrophobicContact CE2-CE1 3.87Å; Y389-F398 HydrophobicContact CE2-CZ 4.11Å; Y389-F398 HydrophobicContact CG-CE1 4.39Å; L396-F398 HydrophobicContact CB-CE2 3.98Å; L396-F398 HydrophobicContact CD2-CZ 4.43Å |
| 399 | C | 86.4 | Confident | 72.1 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 159.3 | 166.6 | -88 | 0 | 0 | 0 | 0 | 110.3 | I388 C421 | I388-C399 HydrophobicContact CB-CB 4.33Å; I388-C399 PolarHBondContact N-O 3.43Å; I388-C399 PolarHBondContact O-N 2.96Å; C399-C421 HydrophobicContact CB-CB 3.56Å; C399-C421 WeakPolarHBondContact CB-SG 3.43Å; C399-C421 WeakPolarHBondContact SG-CB 3.12Å; C399-C421 CovalentContact SG-SG 2.03Å; C399-C421 PolarHBondContact SG-SG 3.32Å |
| 400 | G | 88.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 161.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T417 D513 S514 G515 | G400-T417 PolarHBondContact O-OG1 2.82Å; G400-D513 WeakPolarHBondContact CA-OD1 3.41Å; G400-D513 PolarHBondContact N-OD1 3.06Å; G400-S514 PolarHBondContact N-O 3.34Å; G400-G515 CarbonylContact C-O 3.52Å; G400-G515 CarbonylContact O-C 3.26Å |
| 401 | G | 92.7 | Very high | 71.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 179.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | A386 L416 | A386-G401 PolarHBondContact N-O 3.34Å; A386-G401 PolarHBondContact O-N 3.3Å; G401-L416 CarbonylContact C-O 3.58Å; G401-L416 WeakPolarHBondContact CA-O 3.39Å |
| 402 | S | 94 | Very high | 72.4 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.8 | 176.7 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | W384 I404 V415 L416 P517 | W384-S402 WeakPolarHBondContact O-CA 3.39Å; S402-I404 PolarHBondContact O-N 2.93Å; S402-V415 CarbonylContact O-C 3.54Å; S402-V415 VanDerWaalsContact O-CA 3.29Å; S402-V415 WeakPolarHBondContact O-CA 3.42Å; S402-L416 PolarHBondContact N-O 2.67Å; S402-L416 PolarHBondContact O-N 3.14Å; S402-P517 VanDerWaalsContact OG-CB 3.31Å; S402-P517 WeakPolarHBondContact OG-CB 3.33Å; S402-P517 WeakPolarHBondContact OG-CD 3.36Å; S402-P517 WeakPolarHBondContact OG-CG 3.47Å |
| 403 | L | 93.8 | Very high | 73.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 120.5 | 167.8 | -170.1 | 72.7 | 0 | 0 | 0 | 108.2 | W384 L414 V415 L441 L480 A484 Y486 V490 G492 V493 | W384-L403 PolarHBondContact O-N 3.1Å; L403-L414 WeakPolarHBondContact CA-O 3.42Å; L403-V415 HydrophobicContact CD1-CG2 3.99Å; L403-L441 HydrophobicContact CB-CD2 4.32Å; L403-L441 HydrophobicContact CD1-CD1 4Å; L403-L441 HydrophobicContact CD2-CD1 4.21Å; L403-L480 HydrophobicContact CD1-CD1 4.37Å; L403-A484 HydrophobicContact CD1-CB 4.43Å; L403-A484 HydrophobicContact CD2-CB 4.32Å; L403-Y486 HydrophobicContact CD2-CD1 4.46Å; L403-Y486 HydrophobicContact CD2-CE1 3.94Å; L403-V490 HydrophobicContact CD2-CG1 3.69Å; L403-G492 CarbonylContact O-C 3.59Å; L403-G492 WeakPolarHBondContact O-CA 3.11Å; L403-V493 PolarHBondContact O-N 3.29Å |
| 404 | I | 90.1 | Very high | 75.4 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 131.1 | -176.3 | -30.5 | 170.7 | 0 | 0 | 0 | 108.6 | S402 W406 S412 L414 L416 L495 | S402-I404 PolarHBondContact O-N 2.93Å; I404-W406 PolarHBondContact O-N 3.12Å; I404-S412 VanDerWaalsContact O-CB 3.29Å; I404-S412 WeakPolarHBondContact O-CB 3.3Å; I404-S412 PolarHBondContact O-OG 2.86Å; I404-L414 HydrophobicContact CD1-CB 4.08Å; I404-L414 HydrophobicContact CG1-CB 4.34Å; I404-L414 PolarHBondContact N-O 2.88Å; I404-L416 HydrophobicContact CD1-CB 3.77Å; I404-L416 HydrophobicContact CG1-CB 3.86Å; I404-L495 HydrophobicContact CG2-CD1 3.97Å; I404-L495 HydrophobicContact CG2-CD2 3.71Å; I404-L495 HydrophobicContact CG2-CG 3.55Å |
| 405 | D | 82.7 | Confident | 77.4 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 118.2 | 161.5 | -153.5 | -42.6 | 0 | 0 | 0 | 109.1 | Q407 E408 Y486 V493 | D405-Q407 PolarHBondContact OD1-N 2.69Å; D405-Q407 VanDerWaalsContact OD1-N 3.08Å; D405-E408 PolarHBondContact OD1-N 3.02Å; D405-Y486 VanDerWaalsContact OD2-CE2 3.22Å; D405-Y486 WeakPolarHBondContact OD2-CE2 3.34Å; D405-Y486 PolarHBondContact OD2-OH 3.01Å; D405-V493 PolarHBondContact N-O 2.89Å |
| 406 | W | 67.5 | Low | 79.6 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 30% | 0.303 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -114.8 | -14.2 | 179.9 | -178.4 | -100.8 | 0 | 0 | 0 | 112.7 | I404 L414 L495 N560 V563 | I404-W406 PolarHBondContact O-N 3.12Å; W406-L414 HydrophobicContact CB-CD1 4.32Å; W406-L414 HydrophobicContact CG-CD1 4.4Å; W406-L495 HydrophobicContact CE3-CD1 3.73Å; W406-L495 HydrophobicContact CZ3-CD1 3.69Å; W406-N560 HydrophobicContact CH2-CB 4.09Å; W406-N560 WeakPolarHBondContact CH2-OD1 3.33Å; W406-N560 WeakPolarHBondContact CZ3-OD1 3.44Å; W406-V563 HydrophobicContact CD2-CB 4.46Å; W406-V563 HydrophobicContact CD2-CG1 3.85Å; W406-V563 VanDerWaalsContact CE2-CG1 3.47Å; W406-V563 HydrophobicContact CG-CG1 4Å; W406-V563 HydrophobicContact CZ2-CB 4.16Å; W406-V563 HydrophobicContact CZ2-CG1 4.02Å; W406-V563 VanDerWaalsContact NE1-CG1 3.32Å |
| 407 | Q | 58.8 | Low | 81.8 | Confident | 36 Ų | 36 | 36.7 Ų | 36.7 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -137.3 | -0.5 | -165.3 | -67.7 | -148.1 | -13.6 | 0 | 0 | 115.4 | D405 Q409 K626 | D405-Q407 PolarHBondContact OD1-N 2.69Å; D405-Q407 VanDerWaalsContact OD1-N 3.08Å; Q407-Q409 HydrophobicContact CB-CB 4.37Å; Q407-Q409 HydrophobicContact CB-CG 3.99Å; Q407-Q409 PolarHBondContact O-N 3.49Å; Q407-Q409 VanDerWaalsContact O-N 3.15Å; Q407-K626 PolarHBondContact O-NZ 2.99Å; Q407-K626 VanDerWaalsContact OE1-CE 3.28Å |
| 408 | E | 55.5 | Low | 83.2 | Confident | 188 Ų | 188 | 31.9 Ų | 31.9 | 88% | 0.879 | 16% | 0.155 | S | C | * | . | S | Bend | trans | 55.1 | 26.2 | -173.5 | -58.5 | -177 | 169.3 | 0 | 0 | 112.3 | D405 | D405-E408 PolarHBondContact OD1-N 3.02Š|
| 409 | Q | 60.1 | Low | 83.7 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 27% | 0.271 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -92.3 | 154.7 | 176 | -74.7 | -177.5 | -11.7 | 0 | 0 | 109.8 | Q407 A411 Y486 | Q407-Q409 HydrophobicContact CB-CB 4.37Å; Q407-Q409 HydrophobicContact CB-CG 3.99Å; Q407-Q409 PolarHBondContact O-N 3.49Å; Q407-Q409 VanDerWaalsContact O-N 3.15Å; Q409-A411 PolarHBondContact O-N 2.79Å; Q409-Y486 WeakPolarHBondContact O-CD2 3.3Å; Q409-Y486 WeakPolarHBondContact O-CE2 3.34Å |
| 410 | N | 74.4 | Confident | 83.7 | Confident | 137 Ų | 137 | 29.4 Ų | 29.4 | 73% | 0.733 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -69.1 | 25.4 | 172.9 | -69.1 | -36.5 | 0 | 0 | 0 | 113.8 | Y486 | N410-Y486 WeakPolarHBondContact O-CB 3.48Å; N410-Y486 PolarHBondContact O-N 3.13Å |
| 411 | A | 80.6 | Confident | 83.7 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 12% | 0.116 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 151.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q409 M483 A484 | Q409-A411 PolarHBondContact O-N 2.79Å; A411-M483 HydrophobicContact CB-CB 4.01Å; A411-M483 HydrophobicContact CB-CE 3.88Å; A411-M483 HydrophobicContact CB-SD 4.4Å; A411-A484 VanDerWaalsContact CA-O 3.32Å; A411-A484 WeakPolarHBondContact CA-O 3.49Å |
| 412 | S | 87.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 29.7 Ų | 29.7 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.6 | 169 | 176 | 0 | 0 | 0 | 0 | 111 | I404 L414 A484 | I404-S412 VanDerWaalsContact O-CB 3.29Å; I404-S412 WeakPolarHBondContact O-CB 3.3Å; I404-S412 PolarHBondContact O-OG 2.86Å; S412-L414 PolarHBondContact OG-N 2.98Å; S412-A484 PolarHBondContact N-O 3.01Å; S412-A484 WeakPolarHBondContact O-CA 3.38Å; S412-A484 VanDerWaalsContact O-CB 3.28Å; S412-A484 WeakPolarHBondContact O-CB 3.34Å; S412-A484 PolarHBondContact O-N 3.26Å |
| 413 | D | 88.9 | Confident | 82.7 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 13.6 | 175 | 74.1 | -14.2 | 0 | 0 | 0 | 113.4 | K479 L480 M483 | D413-K479 CarbonylContact O-C 3.52Å; D413-K479 WeakPolarHBondContact O-CA 3.37Å; D413-K479 IonicContact OD1-NZ 3.2Å; D413-K479 PolarHBondContact OD1-NZ 2.7Å; D413-K479 WeakPolarHBondContact OD2-CE 3.49Å; D413-K479 IonicContact OD2-NZ 3.42Å; D413-K479 PolarHBondContact OD2-NZ 3.41Å; D413-L480 HydrophobicContact CB-CB 4.24Å; D413-L480 WeakPolarHBondContact O-CG 3.43Å; D413-L480 PolarHBondContact O-N 3.11Å; D413-M483 HydrophobicContact CB-CG 4.33Å |
| 414 | L | 91.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 130.7 | -178.7 | -64.4 | -178.5 | 0 | 0 | 0 | 111.9 | L403 I404 W406 S412 V477 L478 K479 V563 L566 F567 | L403-L414 WeakPolarHBondContact CA-O 3.42Å; I404-L414 HydrophobicContact CD1-CB 4.08Å; I404-L414 HydrophobicContact CG1-CB 4.34Å; I404-L414 PolarHBondContact N-O 2.88Å; W406-L414 HydrophobicContact CB-CD1 4.32Å; W406-L414 HydrophobicContact CG-CD1 4.4Å; S412-L414 PolarHBondContact OG-N 2.98Å; L414-V477 HydrophobicContact CD2-CG1 4.3Å; L414-L478 WeakPolarHBondContact CA-O 3.39Å; L414-K479 HydrophobicContact CD2-CB 4.31Å; L414-K479 HydrophobicContact CD2-CG 4.33Å; L414-V563 HydrophobicContact CD1-CB 4.44Å; L414-V563 HydrophobicContact CD1-CG1 3.77Å; L414-V563 HydrophobicContact CD1-CG2 3.74Å; L414-L566 HydrophobicContact CD2-CD1 4.4Å; L414-F567 HydrophobicContact CD1-CE2 4.04Å; L414-F567 HydrophobicContact CG-CE2 4.44Å |
| 415 | V | 94.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.6 | 176.5 | 177 | 0 | 0 | 0 | 0 | 110.7 | A386 I388 S402 L403 V439 L478 L480 | A386-V415 HydrophobicContact CB-CG1 3.85Å; A386-V415 HydrophobicContact CB-CG2 4.48Å; I388-V415 HydrophobicContact CD1-CG1 4.26Å; S402-V415 CarbonylContact O-C 3.54Å; S402-V415 VanDerWaalsContact O-CA 3.29Å; S402-V415 WeakPolarHBondContact O-CA 3.42Å; L403-V415 HydrophobicContact CD1-CG2 3.99Å; V415-V439 HydrophobicContact CG2-CG1 4.25Å; V415-L478 HydrophobicContact CB-CB 4.39Å; V415-L478 PolarHBondContact N-O 2.84Å; V415-L478 PolarHBondContact O-N 3.03Å; V415-L480 HydrophobicContact CG2-CD1 4.3Å; V415-L480 HydrophobicContact CG2-CD2 4.19Å; V415-L480 HydrophobicContact CG2-CG 4.39Å |
| 416 | L | 94.4 | Very high | 78.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137.3 | 177.5 | -166.3 | 57.2 | 0 | 0 | 0 | 110.6 | G401 S402 I404 I475 V477 L495 I528 I531 V552 L559 | G401-L416 CarbonylContact C-O 3.58Å; G401-L416 WeakPolarHBondContact CA-O 3.39Å; S402-L416 PolarHBondContact N-O 2.67Å; S402-L416 PolarHBondContact O-N 3.14Å; I404-L416 HydrophobicContact CD1-CB 3.77Å; I404-L416 HydrophobicContact CG1-CB 3.86Å; L416-I475 HydrophobicContact CD1-CD1 4.12Å; L416-I475 HydrophobicContact CD1-CG1 3.98Å; L416-V477 HydrophobicContact CD1-CG2 3.94Å; L416-L495 HydrophobicContact CD2-CD2 4.34Å; L416-I528 HydrophobicContact CD2-CD1 4.25Å; L416-I531 HydrophobicContact CD1-CD1 4.07Å; L416-I531 HydrophobicContact CD2-CD1 3.98Å; L416-I531 HydrophobicContact CD2-CG1 4.44Å; L416-I531 HydrophobicContact CG-CD1 3.68Å; L416-I531 HydrophobicContact CG-CG1 4.34Å; L416-V552 HydrophobicContact CD2-CG1 4.26Å; L416-V552 HydrophobicContact CD2-CG2 4.45Å; L416-L559 HydrophobicContact CD1-CD2 3.86Å; L416-L559 HydrophobicContact CD2-CD1 4.38Å |
| 417 | T | 94.5 | Very high | 77.6 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | -176.3 | 178 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | I388 G400 I475 A476 L478 G515 | I388-T417 HydrophobicContact CD1-CG2 3.5Å; I388-T417 VanDerWaalsContact CD1-CG2 3.5Å; I388-T417 WeakPolarHBondContact CD1-OG1 3.42Å; G400-T417 PolarHBondContact O-OG1 2.82Å; T417-I475 CarbonylContact O-C 3.59Å; T417-A476 HydrophobicContact CG2-CB 4.2Å; T417-A476 PolarHBondContact N-O 3.18Å; T417-A476 PolarHBondContact O-N 3.47Å; T417-L478 HydrophobicContact CG2-CD1 4.43Å; T417-L478 HydrophobicContact CG2-CG 4.43Å; T417-G515 PolarHBondContact OG1-O 2.73Å |
| 418 | A | 92 | Very high | 77.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -83.4 | 149.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H420 C421 D474 I531 | A418-H420 VanDerWaalsContact C-N 3.32Å; A418-H420 WeakPolarHBondContact CB-ND1 3.13Å; A418-H420 PolarHBondContact O-N 3.15Å; A418-C421 WeakPolarHBondContact O-CB 3.34Å; A418-C421 PolarHBondContact O-N 2.87Å; A418-D474 VanDerWaalsContact CA-O 3.29Å; A418-D474 WeakPolarHBondContact CA-O 3.16Å; A418-I531 HydrophobicContact CB-CG2 4.06Å | ||
| 419 | A | 89.7 | Confident | 76.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -63.6 | -38.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C421 V422 T423 V463 F466 D474 | A419-C421 PolarHBondContact O-N 2.76Å; A419-V422 PolarHBondContact O-N 2.86Å; A419-T423 PolarHBondContact O-N 2.82Å; A419-T423 PolarHBondContact O-OG1 2.85Å; A419-V463 HydrophobicContact CB-CG1 3.53Å; A419-F466 HydrophobicContact CB-CB 3.55Å; A419-F466 HydrophobicContact CB-CD1 4.31Å; A419-F466 HydrophobicContact CB-CD2 4.21Å; A419-F466 HydrophobicContact CB-CG 3.78Å; A419-D474 VanDerWaalsContact N-C 3.32Å; A419-D474 PolarHBondContact N-O 3.19Å; A419-D474 PolarHBondContact N-OD1 3.29Å |
| 420 | H | 87.4 | Confident | 76.8 | Confident | 42 Ų | 42 | 42.1 Ų | 42.1 | 19% | 0.194 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.7 | -13.9 | -179.8 | 76.5 | -106.2 | 0 | 0 | 0 | 114.5 | A418 F466 D474 S533 | A418-H420 VanDerWaalsContact C-N 3.32Å; A418-H420 WeakPolarHBondContact CB-ND1 3.13Å; A418-H420 PolarHBondContact O-N 3.15Å; H420-F466 HydrophobicContact CB-CE1 4Å; H420-F466 HydrophobicContact CB-CZ 3.83Å; H420-D474 IonicContact CE1-OD2 3.88Å; H420-D474 IonicContact CG-OD1 3.78Å; H420-D474 IonicContact CG-OD2 2.66Å; H420-D474 PolarHBondContact N-OD1 2.92Å; H420-D474 IonicContact ND1-OD1 3.92Å; H420-D474 PolarHBondContact ND1-OD1 2.8Å; H420-D474 IonicContact ND1-OD2 2.73Å; H420-D474 PolarHBondContact ND1-OD2 3.19Å; H420-S533 PolarHBondContact CE1-O 2.92Å |
| 421 | C | 87.7 | Confident | 76.3 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -78.9 | -26.1 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | C399 A418 A419 | C399-C421 HydrophobicContact CB-CB 3.56Å; C399-C421 WeakPolarHBondContact CB-SG 3.43Å; C399-C421 WeakPolarHBondContact SG-CB 3.12Å; C399-C421 CovalentContact SG-SG 2.03Å; C399-C421 PolarHBondContact SG-SG 3.32Å; A418-C421 WeakPolarHBondContact O-CB 3.34Å; A418-C421 PolarHBondContact O-N 2.87Å; A419-C421 PolarHBondContact O-N 2.76Å |
| 422 | V | 86.2 | Confident | 76 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | -3.3 | -176.8 | -64.9 | 0 | 0 | 0 | 0 | 114.5 | A419 T432 V437 M461 V463 A476 L478 | A419-V422 PolarHBondContact O-N 2.86Å; V422-T432 WeakPolarHBondContact O-CB 3.37Å; V422-T432 PolarHBondContact O-N 2.74Å; V422-T432 PolarHBondContact O-OG1 3.02Å; V422-V437 HydrophobicContact CG1-CG1 4.46Å; V422-V437 HydrophobicContact CG1-CG2 4.45Å; V422-M461 HydrophobicContact CB-SD 4.14Å; V422-M461 HydrophobicContact CG2-SD 4.44Å; V422-V463 HydrophobicContact CG2-CG1 4.5Å; V422-V463 HydrophobicContact CG2-CG2 3.8Å; V422-A476 HydrophobicContact CG2-CB 3.72Å; V422-L478 HydrophobicContact CG1-CD2 4.08Å |
| 423 | T | 80 | Confident | 75.6 | Confident | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 159.7 | 164.2 | 56.3 | 0 | 0 | 0 | 0 | 112 | K390 A419 L430 V463 F466 | K390-T423 PolarHBondContact NZ-O 3.24Å; A419-T423 PolarHBondContact O-N 2.82Å; A419-T423 PolarHBondContact O-OG1 2.85Å; T423-L430 CarbonylContact C-O 3.59Å; T423-L430 WeakPolarHBondContact CA-O 3.14Å; T423-V463 HydrophobicContact CG2-CG1 4.14Å; T423-F466 HydrophobicContact CG2-CD1 4.48Å |
| 424 | D | 68 | Low | 75.4 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 32% | 0.316 | 25% | 0.249 | S | C | . | . | trans | -84.5 | 150.6 | 175 | -160.8 | 40.4 | 0 | 0 | 0 | 114.4 | K390 R426 L430 | K390-D424 IonicContact NZ-OD1 3.97Å; K390-D424 PolarHBondContact NZ-OD1 2.84Å; K390-D424 VanDerWaalsContact NZ-OD1 3.13Å; D424-R426 PolarHBondContact O-N 3.09Å; D424-L430 HydrophobicContact CB-CB 4.32Å; D424-L430 PolarHBondContact N-O 3.13Å | ||
| 425 | G | 54.9 | Low | 74.9 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -76.4 | -20.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | K468 | G425-K468 PolarHBondContact O-NZ 3.05Š|
| 426 | R | 54.4 | Low | 74.4 | Confident | 182 Ų | 182 | 53.1 Ų | 53.1 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -85.7 | -40.9 | -171 | -64.7 | -177.5 | -179.7 | -176.8 | 2.6 | 112.5 | E394 D424 | E394-R426 IonicContact OE1-NH2 3.8Å; E394-R426 PolarHBondContact OE1-NH2 3.16Å; E394-R426 IonicContact OE2-CZ 2.68Å; E394-R426 IonicContact OE2-NH2 3.93Å; E394-R426 PolarHBondContact OE2-NH2 2.6Å; D424-R426 PolarHBondContact O-N 3.09Å |
| 427 | E | 49.2 | Very low | 74.1 | Confident | 120 Ų | 120 | 53.1 Ų | 53.1 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -133.9 | 139 | 175.9 | -62.6 | -174.7 | 162.9 | 0 | 0 | 111 | T429 L430 | E427-T429 PolarHBondContact O-N 3.06Å; E427-T429 VanDerWaalsContact O-N 3.11Å; E427-L430 HydrophobicContact CB-CD1 4.38Å |
| 428 | S | 49.5 | Very low | 73.9 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -3.9 | -168.6 | 55.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 429 | T | 51 | Low | 73.9 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 69% | 0.693 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | -11.6 | -174.4 | 45.9 | 0 | 0 | 0 | 0 | 113.8 | E427 I431 | E427-T429 PolarHBondContact O-N 3.06Å; E427-T429 VanDerWaalsContact O-N 3.11Å; T429-I431 PolarHBondContact O-N 3.09Å |
| 430 | L | 57.1 | Low | 73.9 | Confident | 93 Ų | 93 | 55.1 Ų | 55.1 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | trans | -85.4 | 108.8 | -178.6 | -83.7 | 163.3 | 0 | 0 | 0 | 110.9 | T423 D424 E427 | T423-L430 CarbonylContact C-O 3.59Å; T423-L430 WeakPolarHBondContact CA-O 3.14Å; D424-L430 HydrophobicContact CB-CB 4.32Å; D424-L430 PolarHBondContact N-O 3.13Å; E427-L430 HydrophobicContact CB-CD1 4.38Å | ||
| 431 | I | 64.8 | Low | 74 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 49% | 0.492 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 140.6 | 170.5 | -58.4 | 173.7 | 0 | 0 | 0 | 108.5 | T429 M461 V463 | T429-I431 PolarHBondContact O-N 3.09Å; I431-M461 HydrophobicContact CG2-CG 4.42Å; I431-M461 HydrophobicContact CG2-SD 3.58Å; I431-M461 VanDerWaalsContact CG2-SD 3.58Å; I431-V463 HydrophobicContact CD1-CB 4.4Å; I431-V463 HydrophobicContact CD1-CG2 4.19Å; I431-V463 HydrophobicContact CG1-CG2 4.38Å; I431-V463 HydrophobicContact CG2-CG2 4.1Å |
| 432 | T | 73.3 | Confident | 73.7 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.086 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.7 | 176.2 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | K390 V422 V434 D436 V437 | K390-T432 HydrophobicContact CD-CG2 3.92Å; K390-T432 VanDerWaalsContact CE-OG1 3.24Å; K390-T432 WeakPolarHBondContact CE-OG1 3.24Å; K390-T432 HydrophobicContact CG-CG2 4.05Å; K390-T432 PolarHBondContact NZ-OG1 3.33Å; V422-T432 WeakPolarHBondContact O-CB 3.37Å; V422-T432 PolarHBondContact O-N 2.74Å; V422-T432 PolarHBondContact O-OG1 3.02Å; T432-V434 PolarHBondContact O-N 3.22Å; T432-D436 HydrophobicContact CG2-CB 4Å; T432-V437 HydrophobicContact CG2-CG2 4.07Å |
| 433 | N | 80 | Confident | 73.1 | Confident | 110 Ų | 110 | 54.9 Ų | 54.9 | 59% | 0.588 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 137.9 | 172.7 | -71.1 | -41.4 | 0 | 0 | 0 | 110.9 | S435 D436 | N433-S435 PolarHBondContact O-N 2.78Å; N433-S435 VanDerWaalsContact O-N 3.15Å; N433-D436 PolarHBondContact O-N 2.63Å |
| 434 | V | 82.9 | Confident | 72.6 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -56.2 | -33.1 | -179.6 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | T432 D436 V437 V458 M461 | T432-V434 PolarHBondContact O-N 3.22Å; V434-D436 PolarHBondContact O-N 2.96Å; V434-V437 PolarHBondContact O-N 2.78Å; V434-V458 HydrophobicContact CG1-CB 3.95Å; V434-V458 HydrophobicContact CG1-CG1 3.88Å; V434-V458 WeakPolarHBondContact CG1-O 3.45Å; V434-M461 HydrophobicContact CB-CE 4.46Å; V434-M461 HydrophobicContact CG2-CE 4.09Å; V434-M461 HydrophobicContact CG2-CG 4.14Å |
| 435 | S | 82.1 | Confident | 72.5 | Confident | 81 Ų | 81 | 55.8 Ų | 55.8 | 57% | 0.566 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -63 | -22 | 176.5 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | N433 | N433-S435 PolarHBondContact O-N 2.78Å; N433-S435 VanDerWaalsContact O-N 3.15Å |
| 436 | D | 84.4 | Confident | 72.7 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -99.2 | -4.3 | -170.5 | -53.9 | -15 | 0 | 0 | 0 | 111.4 | K391 T432 N433 V434 | K391-D436 HydrophobicContact CB-CB 4.38Å; K391-D436 PolarHBondContact N-O 2.97Å; T432-D436 HydrophobicContact CG2-CB 4Å; N433-D436 PolarHBondContact O-N 2.63Å; V434-D436 PolarHBondContact O-N 2.96Å |
| 437 | V | 87.6 | Confident | 72.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.1 | 176.6 | -173.3 | 0 | 0 | 0 | 0 | 110 | I388 Y389 V422 T432 V434 V458 M461 L478 | I388-V437 HydrophobicContact CG2-CG1 3.79Å; Y389-V437 WeakPolarHBondContact O-CA 3.2Å; V422-V437 HydrophobicContact CG1-CG1 4.46Å; V422-V437 HydrophobicContact CG1-CG2 4.45Å; T432-V437 HydrophobicContact CG2-CG2 4.07Å; V434-V437 PolarHBondContact O-N 2.78Å; V437-V458 HydrophobicContact CB-CG2 4.05Å; V437-V458 HydrophobicContact CG1-CG2 3.79Å; V437-M461 HydrophobicContact CB-CE 4.18Å; V437-M461 HydrophobicContact CG2-CE 3.72Å; V437-L478 HydrophobicContact CG1-CD1 4.23Å |
| 438 | E | 89.2 | Confident | 72.8 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.8 | 176 | -56.6 | -172.5 | 173.3 | 0 | 0 | 109.9 | Y389 K391 Y440 R455 | Y389-E438 HydrophobicContact CD1-CB 4.31Å; Y389-E438 PolarHBondContact N-O 2.84Å; Y389-E438 PolarHBondContact O-N 2.86Å; K391-E438 WeakPolarHBondContact CE-OE1 3.38Å; K391-E438 IonicContact NZ-OE1 3.87Å; K391-E438 PolarHBondContact NZ-OE1 3.44Å; E438-Y440 HydrophobicContact CB-CE2 4.16Å; E438-R455 IonicContact OE1-CZ 3.05Å; E438-R455 IonicContact OE1-NE 3.5Å; E438-R455 IonicContact OE1-NH2 3.98Å; E438-R455 PolarHBondContact OE1-NH2 3.32Å; E438-R455 IonicContact OE2-CZ 3.86Å; E438-R455 IonicContact OE2-NE 3.41Å; E438-R455 PolarHBondContact OE2-NE 3.17Å; E438-R455 IonicContact OE2-NH2 2.65Å; E438-R455 PolarHBondContact OE2-NH2 3.5Å |
| 439 | V | 92.1 | Very high | 72.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.5 | -177.7 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | A386 L387 I388 V415 L441 R455 F456 V458 L478 L480 | A386-V439 HydrophobicContact CB-CG1 4.1Å; L387-V439 WeakPolarHBondContact O-CA 3.46Å; I388-V439 HydrophobicContact CG1-CG2 4.45Å; V415-V439 HydrophobicContact CG2-CG1 4.25Å; V439-L441 HydrophobicContact CG1-CD2 4.45Å; V439-L441 HydrophobicContact CG1-CG 4.49Å; V439-R455 CarbonylContact O-C 3.57Å; V439-F456 PolarHBondContact N-O 3.42Å; V439-F456 PolarHBondContact O-N 3.37Å; V439-V458 HydrophobicContact CG2-CG2 3.95Å; V439-L478 HydrophobicContact CG2-CD1 4.07Å; V439-L480 HydrophobicContact CB-CD2 3.76Å; V439-L480 HydrophobicContact CG1-CD2 4.08Å; V439-L480 HydrophobicContact CG2-CD2 3.81Å |
| 440 | Y | 90.2 | Very high | 73 | Confident | 37 Ų | 37 | 54.2 Ų | 54.2 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134 | 176.4 | -63.6 | -112 | 0 | 0 | 0 | 110.3 | L387 E438 M443 V449 K454 R455 | L387-Y440 PolarHBondContact N-O 2.94Å; L387-Y440 PolarHBondContact O-N 3.18Å; E438-Y440 HydrophobicContact CB-CE2 4.16Å; Y440-M443 WeakPolarHBondContact CB-SD 3.09Å; Y440-M443 HydrophobicContact CD1-SD 3.83Å; Y440-M443 HydrophobicContact CG-SD 3.84Å; Y440-V449 HydrophobicContact CE1-CG2 4.37Å; Y440-K454 WeakPolarHBondContact CA-O 3.3Å; Y440-R455 HydrophobicContact CD1-CB 3.85Å; Y440-R455 HydrophobicContact CD1-CG 4.23Å; Y440-R455 HydrophobicContact CE1-CB 3.68Å; Y440-R455 HydrophobicContact CE1-CG 3.74Å; Y440-R455 HydrophobicContact CE2-CG 4.17Å |
| 441 | L | 88.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146.4 | -179.9 | -61.6 | 174.1 | 0 | 0 | 0 | 110.6 | A386 L403 V439 M443 K454 F456 L480 A484 V490 | A386-L441 HydrophobicContact CB-CD2 3.56Å; L403-L441 HydrophobicContact CB-CD2 4.32Å; L403-L441 HydrophobicContact CD1-CD1 4Å; L403-L441 HydrophobicContact CD2-CD1 4.21Å; V439-L441 HydrophobicContact CG1-CD2 4.45Å; V439-L441 HydrophobicContact CG1-CG 4.49Å; L441-M443 VanDerWaalsContact C-N 3.29Å; L441-K454 PolarHBondContact N-O 2.91Å; L441-K454 PolarHBondContact O-N 2.89Å; L441-F456 HydrophobicContact CB-CE2 4.19Å; L441-F456 HydrophobicContact CD1-CD2 4.03Å; L441-F456 HydrophobicContact CD1-CE2 3.65Å; L441-F456 HydrophobicContact CD1-CZ 4.29Å; L441-F456 HydrophobicContact CG-CD2 4.29Å; L441-F456 HydrophobicContact CG-CE2 4.12Å; L441-L480 HydrophobicContact CD1-CD1 4.01Å; L441-A484 HydrophobicContact CD1-CB 3.44Å; L441-A484 VanDerWaalsContact CD1-CB 3.44Å; L441-V490 HydrophobicContact CB-CG1 4.16Å; L441-V490 HydrophobicContact CB-CG2 3.94Å; L441-V490 HydrophobicContact CD1-CG1 4.09Å |
| 442 | G | 81.3 | Confident | 72.5 | Confident | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 84.5 | -4.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H444 F489 | G442-H444 PolarHBondContact O-N 3.44Å; G442-F489 WeakPolarHBondContact CA-O 3.47Å |
| 443 | M | 75.3 | Confident | 71.7 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | trans | -67.8 | 129 | 177.5 | -59.5 | -163.4 | 82 | 0 | 0 | 111.3 | L387 Y440 L441 I445 V449 D453 | L387-M443 HydrophobicContact CD2-SD 3.83Å; Y440-M443 WeakPolarHBondContact CB-SD 3.09Å; Y440-M443 HydrophobicContact CD1-SD 3.83Å; Y440-M443 HydrophobicContact CG-SD 3.84Å; L441-M443 VanDerWaalsContact C-N 3.29Å; M443-I445 WeakPolarHBondContact CE-O 3.28Å; M443-V449 HydrophobicContact CE-CG2 4.01Å; M443-D453 HydrophobicContact CG-CB 3.9Å | ||
| 444 | H | 69.5 | Low | 71.2 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -90.2 | -34.5 | 165.8 | -168.4 | 65.9 | 0 | 0 | 0 | 112.2 | E376 A377 R379 G442 | E376-H444 IonicContact OE1-CD2 2.76Å; E376-H444 IonicContact OE1-CE1 2.83Å; E376-H444 IonicContact OE1-NE2 2.7Å; E376-H444 PolarHBondContact OE1-NE2 3.47Å; A377-H444 PolarHBondContact O-CE1 2.95Å; R379-H444 HydrophobicContact CG-CB 4.05Å; R379-H444 VanDerWaalsContact CG-CG 3.49Å; G442-H444 PolarHBondContact O-N 3.44Å |
| 445 | I | 64.8 | Low | 71.3 | Confident | 41 Ų | 41 | 57 Ų | 57 | 21% | 0.21 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -129 | 110.6 | -176.4 | -65.3 | 160.9 | 0 | 0 | 0 | 107.7 | E368 M443 I447 R448 | E368-I445 HydrophobicContact CG-CG2 4.22Å; E368-I445 WeakPolarHBondContact OE1-CG2 3.38Å; M443-I445 WeakPolarHBondContact CE-O 3.28Å; I445-I447 PolarHBondContact O-N 2.87Å; I445-R448 HydrophobicContact CB-CB 4.49Å; I445-R448 HydrophobicContact CG2-CB 4.23Å; I445-R448 HydrophobicContact CG2-CG 4.4Å; I445-R448 PolarHBondContact O-N 2.96Å; I445-R448 VanDerWaalsContact O-N 3.09Å |
| 446 | A | 59.6 | Low | 71.7 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -19.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L387 | L387-A446 HydrophobicContact CD1-CB 3.91Å; L387-A446 HydrophobicContact CD2-CB 3.73Å; L387-A446 HydrophobicContact CG-CB 4.47Å |
| 447 | I | 54.9 | Low | 71.9 | Confident | 107 Ų | 107 | 58.4 Ų | 58.4 | 55% | 0.549 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.8 | -179 | -26.5 | 178.1 | 0 | 0 | 0 | 112.1 | V367 E368 I445 | V367-I447 HydrophobicContact CB-CD1 4.02Å; V367-I447 HydrophobicContact CB-CG1 4.5Å; V367-I447 HydrophobicContact CG1-CD1 4.19Å; V367-I447 HydrophobicContact CG1-CG1 4.12Å; E368-I447 HydrophobicContact CG-CD1 4.29Å; I445-I447 PolarHBondContact O-N 2.87Å |
| 448 | R | 50.4 | Low | 71.9 | Confident | 177 Ų | 177 | 58.8 Ų | 58.8 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | trans | -115.3 | 94.4 | -179.5 | -73.4 | -171.7 | 177.8 | -166.2 | 1.7 | 110.5 | I445 N450 | I445-R448 HydrophobicContact CB-CB 4.49Å; I445-R448 HydrophobicContact CG2-CB 4.23Å; I445-R448 HydrophobicContact CG2-CG 4.4Å; I445-R448 PolarHBondContact O-N 2.96Å; I445-R448 VanDerWaalsContact O-N 3.09Å; R448-N450 PolarHBondContact O-N 3.21Å; R448-N450 PolarHBondContact O-ND2 3.04Å | ||
| 449 | V | 49.6 | Very low | 71.7 | Confident | 98 Ų | 98 | 60.6 Ų | 60.6 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | trans | -65.6 | 100.6 | 166.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | Y440 M443 D453 | Y440-V449 HydrophobicContact CE1-CG2 4.37Å; M443-V449 HydrophobicContact CE-CG2 4.01Å; V449-D453 WeakPolarHBondContact CA-OD2 3.15Å; V449-D453 HydrophobicContact CG1-CB 4.23Å | ||
| 450 | N | 55.2 | Low | 71.3 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | trans | -79.5 | 164.3 | 171.4 | -67.7 | -73.8 | 0 | 0 | 0 | 110.4 | R448 N452 D453 | R448-N450 PolarHBondContact O-N 3.21Å; R448-N450 PolarHBondContact O-ND2 3.04Å; N450-N452 PolarHBondContact O-N 2.68Å; N450-D453 PolarHBondContact N-OD2 3.34Å; N450-D453 PolarHBondContact O-N 3.23Å; N450-D453 VanDerWaalsContact O-N 3.07Å | ||
| 451 | S | 53.7 | Low | 71.1 | Confident | 122 Ų | 122 | 60.9 Ų | 60.9 | 85% | 0.853 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -19.2 | 176.8 | 56.2 | 0 | 0 | 0 | 0 | 115.3 | ||
| 452 | N | 56.9 | Low | 70.9 | Confident | 84 Ų | 84 | 63.2 Ų | 63.2 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -9.4 | -175.6 | -60.2 | 0.8 | 0 | 0 | 0 | 112.9 | N450 K454 | N450-N452 PolarHBondContact O-N 2.68Å; N452-K454 PolarHBondContact O-N 3.01Å |
| 453 | D | 57.1 | Low | 71.1 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | trans | -79.1 | 120.7 | -171.8 | -61.7 | -12.8 | 0 | 0 | 0 | 110 | M443 V449 N450 | M443-D453 HydrophobicContact CG-CB 3.9Å; V449-D453 WeakPolarHBondContact CA-OD2 3.15Å; V449-D453 HydrophobicContact CG1-CB 4.23Å; N450-D453 PolarHBondContact N-OD2 3.34Å; N450-D453 PolarHBondContact O-N 3.23Å; N450-D453 VanDerWaalsContact O-N 3.07Å | ||
| 454 | K | 70.2 | Confident | 71.2 | Confident | 76 Ų | 76 | 63 Ų | 63 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.3 | -175.4 | -66 | -176.4 | -177 | 177.5 | 0 | 110.2 | Y440 L441 N452 F456 T485 | Y440-K454 WeakPolarHBondContact CA-O 3.3Å; L441-K454 PolarHBondContact N-O 2.91Å; L441-K454 PolarHBondContact O-N 2.89Å; N452-K454 PolarHBondContact O-N 3.01Å; K454-F456 HydrophobicContact CB-CD2 4.31Å; K454-F456 HydrophobicContact CB-CE2 3.38Å; K454-F456 HydrophobicContact CB-CZ 3.85Å; K454-F456 HydrophobicContact CD-CZ 4.21Å; K454-F456 VanDerWaalsContact O-CD2 3.23Å; K454-F456 WeakPolarHBondContact O-CD2 3.32Å; K454-F456 VanDerWaalsContact O-CE2 3.3Å; K454-F456 WeakPolarHBondContact O-CE2 3.46Å; K454-T485 PolarHBondContact NZ-O 2.8Å |
| 455 | R | 83.8 | Confident | 71.5 | Confident | 118 Ų | 118 | 68.8 Ų | 68.8 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.5 | 174.7 | 176.3 | -173.4 | 176.4 | -151.5 | 1.9 | 111.7 | E438 V439 Y440 R482 | E438-R455 IonicContact OE1-CZ 3.05Å; E438-R455 IonicContact OE1-NE 3.5Å; E438-R455 IonicContact OE1-NH2 3.98Å; E438-R455 PolarHBondContact OE1-NH2 3.32Å; E438-R455 IonicContact OE2-CZ 3.86Å; E438-R455 IonicContact OE2-NE 3.41Å; E438-R455 PolarHBondContact OE2-NE 3.17Å; E438-R455 IonicContact OE2-NH2 2.65Å; E438-R455 PolarHBondContact OE2-NH2 3.5Å; V439-R455 CarbonylContact O-C 3.57Å; Y440-R455 HydrophobicContact CD1-CB 3.85Å; Y440-R455 HydrophobicContact CD1-CG 4.23Å; Y440-R455 HydrophobicContact CE1-CB 3.68Å; Y440-R455 HydrophobicContact CE1-CG 3.74Å; Y440-R455 HydrophobicContact CE2-CG 4.17Å; R455-R482 PolarHBondContact O-NH1 3.39Å; R455-R482 PolarHBondContact O-NH2 3.13Å |
| 456 | F | 90.3 | Very high | 71.5 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147.9 | 177.6 | -61.3 | -98.8 | 0 | 0 | 0 | 110.4 | V439 L441 K454 L480 R482 A484 | V439-F456 PolarHBondContact N-O 3.42Å; V439-F456 PolarHBondContact O-N 3.37Å; L441-F456 HydrophobicContact CB-CE2 4.19Å; L441-F456 HydrophobicContact CD1-CD2 4.03Å; L441-F456 HydrophobicContact CD1-CE2 3.65Å; L441-F456 HydrophobicContact CD1-CZ 4.29Å; L441-F456 HydrophobicContact CG-CD2 4.29Å; L441-F456 HydrophobicContact CG-CE2 4.12Å; K454-F456 HydrophobicContact CB-CD2 4.31Å; K454-F456 HydrophobicContact CB-CE2 3.38Å; K454-F456 HydrophobicContact CB-CZ 3.85Å; K454-F456 HydrophobicContact CD-CZ 4.21Å; K454-F456 VanDerWaalsContact O-CD2 3.23Å; K454-F456 WeakPolarHBondContact O-CD2 3.32Å; K454-F456 VanDerWaalsContact O-CE2 3.3Å; K454-F456 WeakPolarHBondContact O-CE2 3.46Å; F456-L480 HydrophobicContact CB-CB 4.14Å; F456-L480 HydrophobicContact CB-CD1 4.1Å; F456-L480 HydrophobicContact CB-CD2 3.89Å; F456-L480 HydrophobicContact CB-CG 4.25Å; F456-L480 HydrophobicContact CD1-CB 4.09Å; F456-L480 HydrophobicContact CD1-CD1 3.89Å; F456-L480 HydrophobicContact CD2-CD1 4.16Å; F456-L480 HydrophobicContact CE1-CD1 4.36Å; F456-L480 HydrophobicContact CG-CB 4.35Å; F456-L480 HydrophobicContact CG-CD1 3.79Å; F456-L480 HydrophobicContact CG-CD2 4.5Å; F456-L480 HydrophobicContact CG-CG 4.43Å; F456-R482 HydrophobicContact CD1-CG 3.69Å; F456-R482 WeakPolarHBondContact CD1-O 3.19Å; F456-R482 HydrophobicContact CE1-CG 3.71Å; F456-R482 WeakPolarHBondContact CE1-O 3.39Å; F456-A484 HydrophobicContact CE1-CB 3.87Å; F456-A484 HydrophobicContact CE2-CB 4.03Å; F456-A484 HydrophobicContact CZ-CB 3.42Å; F456-A484 VanDerWaalsContact CZ-CB 3.42Å |
| 457 | R | 88.8 | Confident | 71.9 | Confident | 161 Ų | 161 | 70 Ų | 70 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 155.2 | 163.9 | -64 | 179 | 177.3 | -177.3 | 0.7 | 108.1 | L480 D481 | R457-L480 CarbonylContact O-C 3.47Å; R457-L480 WeakPolarHBondContact O-CA 3.42Å; R457-D481 HydrophobicContact CB-CB 4Å; R457-D481 PolarHBondContact N-OD1 2.82Å; R457-D481 WeakPolarHBondContact O-CB 3.28Å; R457-D481 PolarHBondContact O-N 2.87Å |
| 458 | V | 89.3 | Confident | 72.1 | Confident | 10 Ų | 10 | 70.1 Ų | 70.1 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 133 | 167.6 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | V434 V437 V439 A460 M461 L478 K479 | V434-V458 HydrophobicContact CG1-CB 3.95Å; V434-V458 HydrophobicContact CG1-CG1 3.88Å; V434-V458 WeakPolarHBondContact CG1-O 3.45Å; V437-V458 HydrophobicContact CB-CG2 4.05Å; V437-V458 HydrophobicContact CG1-CG2 3.79Å; V439-V458 HydrophobicContact CG2-CG2 3.95Å; V458-A460 WeakPolarHBondContact CG1-O 3.35Å; V458-M461 HydrophobicContact CG1-CB 4.42Å; V458-L478 HydrophobicContact CG1-CB 4.19Å; V458-L478 HydrophobicContact CG1-CD2 4.47Å; V458-L478 HydrophobicContact CG2-CB 4.35Å; V458-L478 HydrophobicContact CG2-CD1 4.22Å; V458-K479 CarbonylContact C-O 3.47Å; V458-K479 WeakPolarHBondContact CA-O 3.45Å; V458-K479 WeakPolarHBondContact CG1-O 3.29Å |
| 459 | A | 83.6 | Confident | 72.5 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -37.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K479 F570 | A459-K479 PolarHBondContact N-O 3.32Å; A459-F570 HydrophobicContact CB-CZ 4.37Å |
| 460 | A | 83.8 | Confident | 73.2 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V458 K479 L566 | V458-A460 WeakPolarHBondContact CG1-O 3.35Å; A460-K479 HydrophobicContact CB-CB 4.4Å; A460-K479 PolarHBondContact O-N 2.95Å; A460-L566 HydrophobicContact CB-CD2 3.99Å |
| 461 | M | 86.1 | Confident | 73.5 | Confident | 27 Ų | 27 | 72 Ų | 72 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 149.1 | 169.4 | 67.8 | 179.4 | 62.5 | 0 | 0 | 110.4 | V422 I431 V434 V437 V458 V463 V477 L478 | V422-M461 HydrophobicContact CB-SD 4.14Å; V422-M461 HydrophobicContact CG2-SD 4.44Å; I431-M461 HydrophobicContact CG2-CG 4.42Å; I431-M461 HydrophobicContact CG2-SD 3.58Å; I431-M461 VanDerWaalsContact CG2-SD 3.58Å; V434-M461 HydrophobicContact CB-CE 4.46Å; V434-M461 HydrophobicContact CG2-CE 4.09Å; V434-M461 HydrophobicContact CG2-CG 4.14Å; V437-M461 HydrophobicContact CB-CE 4.18Å; V437-M461 HydrophobicContact CG2-CE 3.72Å; V458-M461 HydrophobicContact CG1-CB 4.42Å; M461-V463 HydrophobicContact SD-CG2 4.49Å; M461-V477 WeakPolarHBondContact CA-O 3.15Å; M461-L478 HydrophobicContact CB-CD2 3.5Å; M461-L478 VanDerWaalsContact CB-CD2 3.5Å; M461-L478 HydrophobicContact CE-CD2 4.41Å |
| 462 | V | 84.8 | Confident | 74.3 | Confident | 50 Ų | 50 | 68.5 Ų | 68.5 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.7 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | A476 V477 W558 L562 L566 | V462-A476 CarbonylContact O-C 3.49Å; V462-A476 VanDerWaalsContact O-CA 3.29Å; V462-A476 WeakPolarHBondContact O-CA 2.99Å; V462-V477 PolarHBondContact N-O 2.88Å; V462-V477 PolarHBondContact O-N 2.75Å; V462-W558 HydrophobicContact CG1-CZ2 4.26Å; V462-L562 HydrophobicContact CB-CD1 3.76Å; V462-L562 HydrophobicContact CB-CD2 4.07Å; V462-L562 HydrophobicContact CB-CG 4.03Å; V462-L562 HydrophobicContact CG1-CD1 3.47Å; V462-L562 VanDerWaalsContact CG1-CD1 3.47Å; V462-L562 HydrophobicContact CG1-CG 3.93Å; V462-L562 HydrophobicContact CG2-CD1 4.44Å; V462-L562 HydrophobicContact CG2-CD2 4.02Å; V462-L562 HydrophobicContact CG2-CG 4.16Å; V462-L566 HydrophobicContact CG2-CD1 4.45Å; V462-L566 HydrophobicContact CG2-CD2 4.31Å; V462-L566 HydrophobicContact CG2-CG 4.49Å |
| 463 | V | 84.5 | Confident | 75.5 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.4 | -174.2 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | A419 V422 T423 I431 M461 A476 | A419-V463 HydrophobicContact CB-CG1 3.53Å; V422-V463 HydrophobicContact CG2-CG1 4.5Å; V422-V463 HydrophobicContact CG2-CG2 3.8Å; T423-V463 HydrophobicContact CG2-CG1 4.14Å; I431-V463 HydrophobicContact CD1-CB 4.4Å; I431-V463 HydrophobicContact CD1-CG2 4.19Å; I431-V463 HydrophobicContact CG1-CG2 4.38Å; I431-V463 HydrophobicContact CG2-CG2 4.1Å; M461-V463 HydrophobicContact SD-CG2 4.49Å; V463-A476 HydrophobicContact CG1-CB 4.37Å; V463-A476 HydrophobicContact CG2-CB 4.33Å |
| 464 | G | 78 | Confident | 77.1 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 11% | 0.113 | 33% | 0.33 | C | S | . | . | trans | -64.7 | 168.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F466 I475 | G464-F466 PolarHBondContact O-N 3.43Å; G464-I475 PolarHBondContact N-O 3.4Å | ||
| 465 | E | 75.6 | Confident | 78.1 | Confident | 171 Ų | 171 | 63.7 Ų | 63.7 | 80% | 0.799 | 31% | 0.314 | S | S | * | . | trans | -72.9 | 65.4 | 177.5 | -67.4 | -175.5 | -172.1 | 0 | 0 | 111.7 | ||||
| 466 | F | 66.4 | Low | 78.5 | Confident | 22 Ų | 22 | 58 Ų | 58 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | trans | -76.6 | 125.1 | -173.8 | 177.1 | -110.5 | 0 | 0 | 0 | 112.1 | A419 H420 T423 G464 K468 R471 P472 D474 | A419-F466 HydrophobicContact CB-CB 3.55Å; A419-F466 HydrophobicContact CB-CD1 4.31Å; A419-F466 HydrophobicContact CB-CD2 4.21Å; A419-F466 HydrophobicContact CB-CG 3.78Å; H420-F466 HydrophobicContact CB-CE1 4Å; H420-F466 HydrophobicContact CB-CZ 3.83Å; T423-F466 HydrophobicContact CG2-CD1 4.48Å; G464-F466 PolarHBondContact O-N 3.43Å; F466-K468 HydrophobicContact CE1-CB 4.24Å; F466-R471 HydrophobicContact CE2-CB 4.15Å; F466-R471 HydrophobicContact CE2-CG 3.97Å; F466-R471 HydrophobicContact CZ-CG 4.31Å; F466-P472 WeakPolarHBondContact CA-O 2.98Å; F466-D474 HydrophobicContact CD2-CB 3.67Å; F466-D474 HydrophobicContact CE2-CB 3.7Å | ||
| 467 | N | 67.1 | Low | 78.6 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | trans | -111.5 | 119 | 170.5 | 179.5 | -37.6 | 0 | 0 | 0 | 109.7 | I469 T470 R471 P472 | N467-I469 PolarHBondContact O-N 3.49Å; N467-I469 VanDerWaalsContact O-N 3.09Å; N467-I469 WeakPolarHBondContact OD1-CB 3.5Å; N467-I469 PolarHBondContact OD1-N 3.46Å; N467-T470 WeakPolarHBondContact CB-OG1 3.3Å; N467-T470 VanDerWaalsContact CG-OG1 3.3Å; N467-T470 PolarHBondContact O-N 2.78Å; N467-T470 PolarHBondContact OD1-N 3.42Å; N467-R471 VanDerWaalsContact O-CA 3.24Å; N467-R471 WeakPolarHBondContact O-CA 3.49Å; N467-R471 PolarHBondContact O-N 2.79Å; N467-P472 HydrophobicContact CB-CG 4.23Å | ||
| 468 | K | 59.6 | Low | 78.7 | Confident | 110 Ų | 110 | 50.2 Ų | 50.2 | 48% | 0.478 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.2 | -175.9 | -171.8 | -179 | 174.7 | -168.1 | 0 | 114.6 | G425 F466 | G425-K468 PolarHBondContact O-NZ 3.05Å; F466-K468 HydrophobicContact CE1-CB 4.24Å |
| 469 | I | 57.8 | Low | 78.7 | Confident | 158 Ų | 158 | 50 Ų | 50 | 81% | 0.81 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -44.9 | -177.6 | -57.4 | 176.7 | 0 | 0 | 0 | 111.2 | N467 | N467-I469 PolarHBondContact O-N 3.49Å; N467-I469 VanDerWaalsContact O-N 3.09Å; N467-I469 WeakPolarHBondContact OD1-CB 3.5Å; N467-I469 PolarHBondContact OD1-N 3.46Å |
| 470 | T | 64.6 | Low | 79.1 | Confident | 101 Ų | 101 | 48.1 Ų | 48.1 | 62% | 0.62 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -17.7 | -174.6 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | N467 P472 | N467-T470 WeakPolarHBondContact CB-OG1 3.3Å; N467-T470 VanDerWaalsContact CG-OG1 3.3Å; N467-T470 PolarHBondContact O-N 2.78Å; N467-T470 PolarHBondContact OD1-N 3.42Å; T470-P472 WeakPolarHBondContact OG1-CD 3.19Å |
| 471 | R | 61.1 | Low | 79.2 | Confident | 117 Ų | 117 | 50.7 Ų | 50.7 | 44% | 0.442 | 26% | 0.257 | S | S | . | . | trans | 50.2 | 35.3 | -176.4 | -60.3 | -174.6 | 173.1 | 155.5 | -9.9 | 117.8 | F466 N467 | F466-R471 HydrophobicContact CE2-CB 4.15Å; F466-R471 HydrophobicContact CE2-CG 3.97Å; F466-R471 HydrophobicContact CZ-CG 4.31Å; N467-R471 VanDerWaalsContact O-CA 3.24Å; N467-R471 WeakPolarHBondContact O-CA 3.49Å; N467-R471 PolarHBondContact O-N 2.79Å | ||
| 472 | P | 71.7 | Confident | 79.3 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 156.2 | 162.4 | 35 | -37.2 | 0 | 0 | 0 | 109.5 | F466 N467 T470 D474 | F466-P472 WeakPolarHBondContact CA-O 2.98Å; N467-P472 HydrophobicContact CB-CG 4.23Å; T470-P472 WeakPolarHBondContact OG1-CD 3.19Å; P472-D474 VanDerWaalsContact C-N 3.29Å; P472-D474 PolarHBondContact O-N 3.49Å; P472-D474 VanDerWaalsContact O-N 3.14Å |
| 473 | H | 81.8 | Confident | 79.3 | Confident | 78 Ų | 78 | 56.7 Ų | 56.7 | 36% | 0.361 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.6 | 168 | -46.3 | -50.5 | 0 | 0 | 0 | 115.4 | I475 Y555 | H473-I475 PolarHBondContact O-N 2.86Å; H473-Y555 WeakPolarHBondContact CA-OH 3.37Å; H473-Y555 HydrophobicContact CB-CE1 4.49Å; H473-Y555 AromaticContact ND1-CE1 3.61Å; H473-Y555 AromaticContact ND1-CZ 3.68Å; H473-Y555 PolarHBondContact ND1-OH 3.2Å |
| 474 | D | 90 | Very high | 79.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | trans | -74.2 | 57.1 | 176.6 | -167.7 | 15.7 | 0 | 0 | 0 | 112.7 | A418 A419 H420 F466 P472 S533 V550 | A418-D474 VanDerWaalsContact CA-O 3.29Å; A418-D474 WeakPolarHBondContact CA-O 3.16Å; A419-D474 VanDerWaalsContact N-C 3.32Å; A419-D474 PolarHBondContact N-O 3.19Å; A419-D474 PolarHBondContact N-OD1 3.29Å; H420-D474 IonicContact CE1-OD2 3.88Å; H420-D474 IonicContact CG-OD1 3.78Å; H420-D474 IonicContact CG-OD2 2.66Å; H420-D474 PolarHBondContact N-OD1 2.92Å; H420-D474 IonicContact ND1-OD1 3.92Å; H420-D474 PolarHBondContact ND1-OD1 2.8Å; H420-D474 IonicContact ND1-OD2 2.73Å; H420-D474 PolarHBondContact ND1-OD2 3.19Å; F466-D474 HydrophobicContact CD2-CB 3.67Å; F466-D474 HydrophobicContact CE2-CB 3.7Å; P472-D474 VanDerWaalsContact C-N 3.29Å; P472-D474 PolarHBondContact O-N 3.49Å; P472-D474 VanDerWaalsContact O-N 3.14Å; D474-S533 WeakPolarHBondContact OD2-CB 3.42Å; D474-S533 PolarHBondContact OD2-OG 2.9Å; D474-V550 HydrophobicContact CB-CG2 4.08Å; D474-V550 WeakPolarHBondContact O-CG2 3.24Å | ||
| 475 | I | 91.8 | Very high | 79.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -136 | 142.2 | -174.3 | -171.2 | 166.8 | 0 | 0 | 0 | 110.8 | L416 T417 G464 H473 I531 V550 Y555 W558 | L416-I475 HydrophobicContact CD1-CD1 4.12Å; L416-I475 HydrophobicContact CD1-CG1 3.98Å; T417-I475 CarbonylContact O-C 3.59Å; G464-I475 PolarHBondContact N-O 3.4Å; H473-I475 PolarHBondContact O-N 2.86Å; I475-I531 HydrophobicContact CB-CD1 4.4Å; I475-I531 HydrophobicContact CD1-CD1 3.72Å; I475-I531 HydrophobicContact CG1-CD1 3.62Å; I475-V550 HydrophobicContact CB-CG1 4.46Å; I475-Y555 HydrophobicContact CD1-CD1 4.07Å; I475-Y555 HydrophobicContact CD1-CD2 4.29Å; I475-Y555 HydrophobicContact CD1-CG 3.77Å; I475-Y555 HydrophobicContact CG2-CD1 3.79Å; I475-Y555 HydrophobicContact CG2-CE1 3.74Å; I475-Y555 HydrophobicContact CG2-CG 4.49Å; I475-W558 HydrophobicContact CD1-CE3 4.39Å; I475-W558 HydrophobicContact CD1-CZ3 4.05Å; I475-W558 HydrophobicContact CG1-CZ3 3.96Å; I475-W558 HydrophobicContact CG2-CE3 4.45Å; I475-W558 HydrophobicContact CG2-CH2 4.05Å; I475-W558 HydrophobicContact CG2-CZ3 3.97Å | ||
| 476 | A | 91.7 | Very high | 80.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 150.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | T417 V422 V462 V463 | T417-A476 HydrophobicContact CG2-CB 4.2Å; T417-A476 PolarHBondContact N-O 3.18Å; T417-A476 PolarHBondContact O-N 3.47Å; V422-A476 HydrophobicContact CG2-CB 3.72Å; V462-A476 CarbonylContact O-C 3.49Å; V462-A476 VanDerWaalsContact O-CA 3.29Å; V462-A476 WeakPolarHBondContact O-CA 2.99Å; V463-A476 HydrophobicContact CG1-CB 4.37Å; V463-A476 HydrophobicContact CG2-CB 4.33Å |
| 477 | V | 91.8 | Very high | 81.1 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.3 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | L414 L416 M461 V462 W558 L559 L562 L566 | L414-V477 HydrophobicContact CD2-CG1 4.3Å; L416-V477 HydrophobicContact CD1-CG2 3.94Å; M461-V477 WeakPolarHBondContact CA-O 3.15Å; V462-V477 PolarHBondContact N-O 2.88Å; V462-V477 PolarHBondContact O-N 2.75Å; V477-W558 HydrophobicContact CG2-CH2 4.17Å; V477-W558 HydrophobicContact CG2-CZ3 3.87Å; V477-L559 HydrophobicContact CG2-CD2 3.45Å; V477-L559 VanDerWaalsContact CG2-CD2 3.45Å; V477-L562 HydrophobicContact CB-CD2 4.05Å; V477-L562 HydrophobicContact CG1-CD2 4.21Å; V477-L562 HydrophobicContact CG2-CD1 4.25Å; V477-L562 HydrophobicContact CG2-CD2 4.2Å; V477-L566 HydrophobicContact CG1-CD1 4.36Å |
| 478 | L | 92.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.1 | 175.5 | -48.5 | -176.7 | 0 | 0 | 0 | 109.4 | I388 L414 V415 T417 V422 V437 V439 V458 M461 | I388-L478 HydrophobicContact CD1-CD1 3.78Å; I388-L478 HydrophobicContact CG1-CD1 4.24Å; I388-L478 HydrophobicContact CG2-CD1 4.21Å; L414-L478 WeakPolarHBondContact CA-O 3.39Å; V415-L478 HydrophobicContact CB-CB 4.39Å; V415-L478 PolarHBondContact N-O 2.84Å; V415-L478 PolarHBondContact O-N 3.03Å; T417-L478 HydrophobicContact CG2-CD1 4.43Å; T417-L478 HydrophobicContact CG2-CG 4.43Å; V422-L478 HydrophobicContact CG1-CD2 4.08Å; V437-L478 HydrophobicContact CG1-CD1 4.23Å; V439-L478 HydrophobicContact CG2-CD1 4.07Å; V458-L478 HydrophobicContact CG1-CB 4.19Å; V458-L478 HydrophobicContact CG1-CD2 4.47Å; V458-L478 HydrophobicContact CG2-CB 4.35Å; V458-L478 HydrophobicContact CG2-CD1 4.22Å; M461-L478 HydrophobicContact CB-CD2 3.5Å; M461-L478 VanDerWaalsContact CB-CD2 3.5Å; M461-L478 HydrophobicContact CE-CD2 4.41Å |
| 479 | K | 89.7 | Confident | 82.5 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.7 | 168.7 | -171.1 | 175.4 | -176.1 | 61.8 | 0 | 109.1 | D413 L414 V458 A459 A460 L566 F570 | D413-K479 CarbonylContact O-C 3.52Å; D413-K479 WeakPolarHBondContact O-CA 3.37Å; D413-K479 IonicContact OD1-NZ 3.2Å; D413-K479 PolarHBondContact OD1-NZ 2.7Å; D413-K479 WeakPolarHBondContact OD2-CE 3.49Å; D413-K479 IonicContact OD2-NZ 3.42Å; D413-K479 PolarHBondContact OD2-NZ 3.41Å; L414-K479 HydrophobicContact CD2-CB 4.31Å; L414-K479 HydrophobicContact CD2-CG 4.33Å; V458-K479 CarbonylContact C-O 3.47Å; V458-K479 WeakPolarHBondContact CA-O 3.45Å; V458-K479 WeakPolarHBondContact CG1-O 3.29Å; A459-K479 PolarHBondContact N-O 3.32Å; A460-K479 HydrophobicContact CB-CB 4.4Å; A460-K479 PolarHBondContact O-N 2.95Å; K479-L566 HydrophobicContact CB-CD1 4.49Å; K479-F570 HydrophobicContact CD-CD2 4.06Å; K479-F570 HydrophobicContact CD-CE2 4.11Å; K479-F570 VanDerWaalsContact CE-CD2 3.47Å |
| 480 | L | 91.1 | Very high | 83.9 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 158.6 | 179 | -54.6 | -177 | 0 | 0 | 0 | 111.4 | L403 D413 V415 V439 L441 F456 R457 R482 A484 | L403-L480 HydrophobicContact CD1-CD1 4.37Å; D413-L480 HydrophobicContact CB-CB 4.24Å; D413-L480 WeakPolarHBondContact O-CG 3.43Å; D413-L480 PolarHBondContact O-N 3.11Å; V415-L480 HydrophobicContact CG2-CD1 4.3Å; V415-L480 HydrophobicContact CG2-CD2 4.19Å; V415-L480 HydrophobicContact CG2-CG 4.39Å; V439-L480 HydrophobicContact CB-CD2 3.76Å; V439-L480 HydrophobicContact CG1-CD2 4.08Å; V439-L480 HydrophobicContact CG2-CD2 3.81Å; L441-L480 HydrophobicContact CD1-CD1 4.01Å; F456-L480 HydrophobicContact CB-CB 4.14Å; F456-L480 HydrophobicContact CB-CD1 4.1Å; F456-L480 HydrophobicContact CB-CD2 3.89Å; F456-L480 HydrophobicContact CB-CG 4.25Å; F456-L480 HydrophobicContact CD1-CB 4.09Å; F456-L480 HydrophobicContact CD1-CD1 3.89Å; F456-L480 HydrophobicContact CD2-CD1 4.16Å; F456-L480 HydrophobicContact CE1-CD1 4.36Å; F456-L480 HydrophobicContact CG-CB 4.35Å; F456-L480 HydrophobicContact CG-CD1 3.79Å; F456-L480 HydrophobicContact CG-CD2 4.5Å; F456-L480 HydrophobicContact CG-CG 4.43Å; R457-L480 CarbonylContact O-C 3.47Å; R457-L480 WeakPolarHBondContact O-CA 3.42Å; L480-R482 PolarHBondContact O-N 3.11Å; L480-A484 HydrophobicContact CD1-CB 4.37Å |
| 481 | D | 85.9 | Confident | 85.1 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -13.8 | 178.4 | 67.5 | -29.4 | 0 | 0 | 0 | 114.4 | R457 | R457-D481 HydrophobicContact CB-CB 4Å; R457-D481 PolarHBondContact N-OD1 2.82Å; R457-D481 WeakPolarHBondContact O-CB 3.28Å; R457-D481 PolarHBondContact O-N 2.87Å |
| 482 | R | 88.3 | Confident | 86.4 | Confident | 120 Ų | 120 | 42.7 Ų | 42.7 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 157.9 | 176.8 | 63.3 | -163.1 | -175.3 | -86.6 | -1.5 | 109.9 | R455 F456 L480 | R455-R482 PolarHBondContact O-NH1 3.39Å; R455-R482 PolarHBondContact O-NH2 3.13Å; F456-R482 HydrophobicContact CD1-CG 3.69Å; F456-R482 WeakPolarHBondContact CD1-O 3.19Å; F456-R482 HydrophobicContact CE1-CG 3.71Å; F456-R482 WeakPolarHBondContact CE1-O 3.39Å; L480-R482 PolarHBondContact O-N 3.11Å |
| 483 | M | 84.6 | Confident | 87.4 | Confident | 83 Ų | 83 | 40.4 Ų | 40.4 | 41% | 0.409 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 135.6 | 178.6 | -58.5 | -168.3 | 83.4 | 0 | 0 | 112.5 | A411 D413 T485 | A411-M483 HydrophobicContact CB-CB 4.01Å; A411-M483 HydrophobicContact CB-CE 3.88Å; A411-M483 HydrophobicContact CB-SD 4.4Å; D413-M483 HydrophobicContact CB-CG 4.33Å; M483-T485 PolarHBondContact O-N 3.25Å |
| 484 | A | 86.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 93.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L403 A411 S412 L441 F456 L480 Y486 V490 | L403-A484 HydrophobicContact CD1-CB 4.43Å; L403-A484 HydrophobicContact CD2-CB 4.32Å; A411-A484 VanDerWaalsContact CA-O 3.32Å; A411-A484 WeakPolarHBondContact CA-O 3.49Å; S412-A484 PolarHBondContact N-O 3.01Å; S412-A484 WeakPolarHBondContact O-CA 3.38Å; S412-A484 VanDerWaalsContact O-CB 3.28Å; S412-A484 WeakPolarHBondContact O-CB 3.34Å; S412-A484 PolarHBondContact O-N 3.26Å; L441-A484 HydrophobicContact CD1-CB 3.44Å; L441-A484 VanDerWaalsContact CD1-CB 3.44Å; F456-A484 HydrophobicContact CE1-CB 3.87Å; F456-A484 HydrophobicContact CE2-CB 4.03Å; F456-A484 HydrophobicContact CZ-CB 3.42Å; F456-A484 VanDerWaalsContact CZ-CB 3.42Å; L480-A484 HydrophobicContact CD1-CB 4.37Å; A484-Y486 PolarHBondContact O-N 3Å; A484-V490 HydrophobicContact CB-CG1 4.25Å |
| 485 | T | 85.4 | Confident | 87.7 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 129.7 | 175.4 | -31.5 | 0 | 0 | 0 | 0 | 110.9 | K454 M483 | K454-T485 PolarHBondContact NZ-O 2.8Å; M483-T485 PolarHBondContact O-N 3.25Å |
| 486 | Y | 86.9 | Confident | 87.5 | Confident | 42 Ų | 42 | 40.4 Ų | 40.4 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | trans | -65 | 153 | -179.7 | -66.7 | -5.9 | 0 | 0 | 0 | 111.9 | L403 D405 Q409 N410 A484 V490 G492 | L403-Y486 HydrophobicContact CD2-CD1 4.46Å; L403-Y486 HydrophobicContact CD2-CE1 3.94Å; D405-Y486 VanDerWaalsContact OD2-CE2 3.22Å; D405-Y486 WeakPolarHBondContact OD2-CE2 3.34Å; D405-Y486 PolarHBondContact OD2-OH 3.01Å; Q409-Y486 WeakPolarHBondContact O-CD2 3.3Å; Q409-Y486 WeakPolarHBondContact O-CE2 3.34Å; N410-Y486 WeakPolarHBondContact O-CB 3.48Å; N410-Y486 PolarHBondContact O-N 3.13Å; A484-Y486 PolarHBondContact O-N 3Å; Y486-V490 CarbonylContact C-O 3.57Å; Y486-V490 WeakPolarHBondContact CA-O 3.38Å; Y486-G492 VanDerWaalsContact CZ-N 3.33Å; Y486-G492 PolarHBondContact OH-N 3.26Å | ||
| 487 | S | 83.4 | Confident | 87 | Confident | 42 Ų | 42 | 46 Ų | 46 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | trans | -161.8 | -174.5 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 109.3 | F489 V490 Q491 | S487-F489 PolarHBondContact O-N 3.24Å; S487-F489 VanDerWaalsContact O-N 3.12Å; S487-F489 PolarHBondContact OG-N 3.25Å; S487-F489 VanDerWaalsContact OG-N 3.16Å; S487-V490 PolarHBondContact N-O 3.26Å; S487-V490 VanDerWaalsContact O-O 3.11Å; S487-V490 PolarHBondContact OG-N 2.68Å; S487-Q491 WeakPolarHBondContact O-CG 3.19Å; S487-Q491 PolarHBondContact O-NE2 2.62Å | ||
| 488 | K | 75.8 | Confident | 86.5 | Confident | 165 Ų | 165 | 49.4 Ų | 49.4 | 72% | 0.717 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -61.6 | -13.3 | 168.6 | -167.8 | 169.4 | -179.4 | 176 | 0 | 113.8 | ||
| 489 | F | 80.9 | Confident | 86 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 25% | 0.254 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -113.8 | -16.6 | -174.7 | -45.4 | -59.4 | 0 | 0 | 0 | 113.9 | H380 G442 S487 | H380-F489 AromaticContact CD2-CD1 3.57Å; H380-F489 AromaticContact CE1-CE1 3.66Å; H380-F489 AromaticContact CG-CD1 3.8Å; H380-F489 AromaticContact ND1-CD1 3.95Å; H380-F489 AromaticContact ND1-CE1 3.86Å; H380-F489 AromaticContact NE2-CD1 3.74Å; H380-F489 AromaticContact NE2-CE1 3.93Å; G442-F489 WeakPolarHBondContact CA-O 3.47Å; S487-F489 PolarHBondContact O-N 3.24Å; S487-F489 VanDerWaalsContact O-N 3.12Å; S487-F489 PolarHBondContact OG-N 3.25Å; S487-F489 VanDerWaalsContact OG-N 3.16Å |
| 490 | V | 86.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -141.4 | 122.2 | -173.6 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | P383 L403 L441 A484 Y486 S487 | P383-V490 WeakPolarHBondContact O-CA 3.14Å; L403-V490 HydrophobicContact CD2-CG1 3.69Å; L441-V490 HydrophobicContact CB-CG1 4.16Å; L441-V490 HydrophobicContact CB-CG2 3.94Å; L441-V490 HydrophobicContact CD1-CG1 4.09Å; A484-V490 HydrophobicContact CB-CG1 4.25Å; Y486-V490 CarbonylContact C-O 3.57Å; Y486-V490 WeakPolarHBondContact CA-O 3.38Å; S487-V490 PolarHBondContact N-O 3.26Å; S487-V490 VanDerWaalsContact O-O 3.11Å; S487-V490 PolarHBondContact OG-N 2.68Å | ||
| 491 | Q | 89 | Confident | 84.8 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | trans | -150 | 159.8 | 176.5 | -59.4 | 179.6 | -5.7 | 0 | 0 | 108.7 | P383 W384 S487 | P383-Q491 HydrophobicContact CB-CB 3.95Å; P383-Q491 HydrophobicContact CB-CG 3.93Å; P383-Q491 HydrophobicContact CG-CB 3.83Å; P383-Q491 HydrophobicContact CG-CG 3.94Å; P383-Q491 PolarHBondContact O-N 3.01Å; W384-Q491 WeakPolarHBondContact CA-O 3.38Å; W384-Q491 WeakPolarHBondContact CB-O 3.17Å; W384-Q491 PolarHBondContact N-O 3.4Å; S487-Q491 WeakPolarHBondContact O-CG 3.19Å; S487-Q491 PolarHBondContact O-NE2 2.62Å | ||
| 492 | G | 89.5 | Confident | 84 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 13% | 0.134 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -82.2 | 157.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L403 Y486 | L403-G492 CarbonylContact O-C 3.59Å; L403-G492 WeakPolarHBondContact O-CA 3.11Å; Y486-G492 VanDerWaalsContact CZ-N 3.33Å; Y486-G492 PolarHBondContact OH-N 3.26Å |
| 493 | V | 91.6 | Very high | 83 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 143.1 | 164.5 | 68.9 | 0 | 0 | 0 | 0 | 110.3 | W384 L403 D405 T519 Y526 I528 | W384-V493 HydrophobicContact CB-CB 3.89Å; W384-V493 HydrophobicContact CB-CG1 4.32Å; W384-V493 HydrophobicContact CD2-CB 3.95Å; W384-V493 HydrophobicContact CD2-CG2 4.29Å; W384-V493 HydrophobicContact CE3-CB 4.35Å; W384-V493 HydrophobicContact CG-CB 3.71Å; W384-V493 HydrophobicContact CG-CG1 4.34Å; W384-V493 HydrophobicContact CG-CG2 4.42Å; L403-V493 PolarHBondContact O-N 3.29Å; D405-V493 PolarHBondContact N-O 2.89Å; V493-T519 HydrophobicContact CG2-CG2 3.89Å; V493-Y526 WeakPolarHBondContact CG2-O 3.36Å; V493-I528 HydrophobicContact CG1-CB 4Å; V493-I528 HydrophobicContact CG1-CG2 3.91Å; V493-I528 HydrophobicContact CG2-CB 4.3Å |
| 494 | C | 89.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -73.8 | 147.3 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | T525 Y526 F527 I528 | C494-T525 HydrophobicContact CB-CG2 4.42Å; C494-Y526 PolarHBondContact N-O 2.03Å; C494-F527 HydrophobicContact CB-CD1 3.56Å; C494-F527 HydrophobicContact CB-CE1 3.63Å; C494-F527 HydrophobicContact CB-CG 4.22Å; C494-F527 HydrophobicContact CB-CZ 4.34Å; C494-F527 VanDerWaalsContact O-CA 3.3Å; C494-F527 WeakPolarHBondContact O-CA 3.17Å; C494-I528 PolarHBondContact O-N 3.11Å |
| 495 | L | 88.9 | Confident | 79.9 | Confident | 30 Ų | 30 | 66 Ų | 66 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 143.1 | 169.4 | -69.5 | 173.8 | 0 | 0 | 0 | 111.1 | I404 W406 L416 F527 I528 V552 I556 L559 | I404-L495 HydrophobicContact CG2-CD1 3.97Å; I404-L495 HydrophobicContact CG2-CD2 3.71Å; I404-L495 HydrophobicContact CG2-CG 3.55Å; W406-L495 HydrophobicContact CE3-CD1 3.73Å; W406-L495 HydrophobicContact CZ3-CD1 3.69Å; L416-L495 HydrophobicContact CD2-CD2 4.34Å; L495-F527 WeakPolarHBondContact O-CD1 3.5Å; L495-I528 HydrophobicContact CD2-CG2 3.86Å; L495-V552 HydrophobicContact CD2-CG1 4.01Å; L495-I556 HydrophobicContact CB-CD1 4.01Å; L495-I556 HydrophobicContact CD1-CD1 4.35Å; L495-I556 HydrophobicContact CD2-CD1 4.42Å; L495-L559 HydrophobicContact CD1-CD1 4.34Å; L495-L559 HydrophobicContact CD2-CD1 4.12Å |
| 496 | P | 87.2 | Confident | 78.3 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.032 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 166.9 | 171.5 | 32.8 | -36.9 | 0 | 0 | 0 | 111.1 | E500 I528 Y529 V552 I556 | P496-E500 HydrophobicContact CB-CB 4.49Å; P496-I528 WeakPolarHBondContact CD-O 3.24Å; P496-I528 WeakPolarHBondContact CG-O 3.39Å; P496-Y529 HydrophobicContact CB-CD1 4.08Å; P496-Y529 HydrophobicContact CB-CE1 3.86Å; P496-Y529 HydrophobicContact CG-CD1 4.49Å; P496-V552 HydrophobicContact CG-CB 4.42Å; P496-V552 HydrophobicContact CG-CG1 4.22Å; P496-I556 HydrophobicContact CG-CD1 4.46Å; P496-I556 VanDerWaalsContact O-CD1 3.24Å; P496-I556 WeakPolarHBondContact O-CD1 3.14Å |
| 497 | M | 82.5 | Confident | 76.8 | Confident | 118 Ų | 118 | 74 Ų | 74 | 58% | 0.581 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 162.3 | 172 | -61.1 | -179.4 | 72 | 0 | 0 | 111 | D499 E500 S553 | M497-D499 PolarHBondContact O-N 2.87Å; M497-E500 HydrophobicContact CB-CB 4.17Å; M497-E500 PolarHBondContact N-OE2 3.15Å; M497-E500 WeakPolarHBondContact O-CB 3.48Å; M497-E500 PolarHBondContact O-N 3.44Å; M497-S553 WeakPolarHBondContact O-CB 2.93Å |
| 498 | E | 81.2 | Confident | 76 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 136.1 | 177.9 | -172 | 174.7 | -166.3 | 0 | 0 | 111.6 | E500 S553 I556 K557 | E498-E500 PolarHBondContact O-N 2.9Å; E498-S553 WeakPolarHBondContact CA-O 3.24Å; E498-I556 HydrophobicContact CB-CB 4.11Å; E498-I556 HydrophobicContact CB-CG2 4.2Å; E498-I556 HydrophobicContact CG-CB 4.34Å; E498-K557 WeakPolarHBondContact OE1-CD 3.45Å; E498-K557 WeakPolarHBondContact OE1-CE 3.42Å; E498-K557 WeakPolarHBondContact OE1-CG 3.18Å; E498-K557 IonicContact OE1-NZ 3.99Å; E498-K557 PolarHBondContact OE1-NZ 2.95Å; E498-K557 WeakPolarHBondContact OE2-CE 3.45Å; E498-K557 WeakPolarHBondContact OE2-CG 3.32Å; E498-K557 IonicContact OE2-NZ 3.92Å; E498-K557 PolarHBondContact OE2-NZ 2.91Å |
| 499 | D | 80.2 | Confident | 76.1 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 43% | 0.433 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 2.8 | -176.2 | -75.4 | -47.8 | 0 | 0 | 0 | 117.4 | M497 K551 S553 H554 | M497-D499 PolarHBondContact O-N 2.87Å; D499-K551 PolarHBondContact O-NZ 3.49Å; D499-S553 PolarHBondContact N-O 3.18Å; D499-H554 IonicContact OD1-CG 3.16Å; D499-H554 IonicContact OD1-ND1 4Å; D499-H554 PolarHBondContact OD1-ND1 2.98Å |
| 500 | E | 81.8 | Confident | 76 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 16% | 0.159 | 38% | 0.38 | C | S | . | . | trans | -45.5 | 136.8 | 177 | -168.3 | 175.4 | -174.4 | 0 | 0 | 112.7 | P496 M497 E498 K522 Y529 K551 S553 | P496-E500 HydrophobicContact CB-CB 4.49Å; M497-E500 HydrophobicContact CB-CB 4.17Å; M497-E500 PolarHBondContact N-OE2 3.15Å; M497-E500 WeakPolarHBondContact O-CB 3.48Å; M497-E500 PolarHBondContact O-N 3.44Å; E498-E500 PolarHBondContact O-N 2.9Å; E500-K522 IonicContact OE1-NZ 3.16Å; E500-K522 PolarHBondContact OE1-NZ 2.75Å; E500-Y529 HydrophobicContact CG-CE1 4.15Å; E500-Y529 PolarHBondContact OE1-OH 2.97Å; E500-K551 WeakPolarHBondContact O-CE 3.33Å; E500-S553 PolarHBondContact O-OG 2.84Å | ||
| 501 | S | 75.5 | Confident | 75.5 | Confident | 91 Ų | 91 | 72 Ų | 72 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 149.3 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | Y529 | S501-Y529 WeakPolarHBondContact O-CE1 3.46Š|
| 502 | L | 69.1 | Low | 74.6 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 134.7 | 170 | -82.7 | 159.8 | 0 | 0 | 0 | 110.1 | L518 Y529 | L502-L518 HydrophobicContact CD1-CD2 4.47Å; L502-L518 HydrophobicContact CD2-CD2 3.88Å; L502-Y529 HydrophobicContact CD2-CD1 4.13Å; L502-Y529 HydrophobicContact CD2-CD2 4.27Å; L502-Y529 HydrophobicContact CD2-CG 3.69Å; L502-Y529 HydrophobicContact CG-CD1 4.46Å; L502-Y529 HydrophobicContact CG-CG 4.48Å |
| 503 | P | 65.5 | Low | 73.6 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 139.7 | 177.2 | 24.5 | -33 | 0 | 0 | 0 | 111 | F505 C520 Y529 | P503-F505 PolarHBondContact O-N 2.78Å; P503-F505 VanDerWaalsContact O-N 3.14Å; P503-C520 HydrophobicContact CG-CB 3.79Å; P503-Y529 HydrophobicContact CG-CE2 4.17Å |
| 504 | T | 57.2 | Low | 72.9 | Confident | 135 Ų | 135 | 71.5 Ų | 71.5 | 83% | 0.828 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -63.4 | -19.8 | -175 | 39.8 | 0 | 0 | 0 | 0 | 114.5 | S506 | T504-S506 PolarHBondContact O-N 3.26Å; T504-S506 VanDerWaalsContact O-N 3.12Å |
| 505 | F | 49 | Very low | 72.3 | Confident | 153 Ų | 153 | 69.5 Ų | 69.5 | 67% | 0.671 | 38% | 0.38 | S | S | * | . | trans | -84.1 | 77.7 | 178.6 | -78.2 | -88.9 | 0 | 0 | 0 | 112.4 | P503 K507 H508 | P503-F505 PolarHBondContact O-N 2.78Å; P503-F505 VanDerWaalsContact O-N 3.14Å; F505-K507 PolarHBondContact O-N 2.82Å; F505-H508 PolarHBondContact O-N 3.31Å | ||
| 506 | S | 53.5 | Low | 72.1 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 67% | 0.671 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -54.1 | -22.4 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 115.4 | T504 H508 C509 | T504-S506 PolarHBondContact O-N 3.26Å; T504-S506 VanDerWaalsContact O-N 3.12Å; S506-H508 PolarHBondContact O-N 2.85Å; S506-C509 PolarHBondContact O-N 2.97Å |
| 507 | K | 53.7 | Low | 72.2 | Confident | 194 Ų | 194 | 68 Ų | 68 | 84% | 0.843 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.1 | -15.3 | 179.4 | -76.7 | -168.7 | 174.4 | -174.6 | 0 | 115.4 | F505 | F505-K507 PolarHBondContact O-N 2.82Š|
| 508 | H | 68.2 | Low | 72.5 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -113.6 | 18.3 | -179 | -55.5 | 111 | 0 | 0 | 0 | 113.8 | F505 S506 C520 M521 | F505-H508 PolarHBondContact O-N 3.31Å; S506-H508 PolarHBondContact O-N 2.85Å; H508-C520 WeakPolarHBondContact O-CA 3.35Å; H508-M521 HydrophobicContact CB-CB 3.96Å; H508-M521 PolarHBondContact O-N 2.91Å |
| 509 | C | 77.8 | Confident | 72.8 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.1 | 172.8 | -63.4 | 0 | 0 | 0 | 0 | 111 | S506 L518 T519 C520 | S506-C509 PolarHBondContact O-N 2.97Å; C509-L518 HydrophobicContact CB-CD1 4.03Å; C509-T519 CarbonylContact C-O 3.48Å; C509-T519 WeakPolarHBondContact CA-O 3.28Å; C509-C520 HydrophobicContact CB-CB 4.13Å; C509-C520 WeakPolarHBondContact CB-SG 3.42Å; C509-C520 WeakPolarHBondContact SG-CB 3.42Å; C509-C520 CovalentContact SG-SG 2.05Å; C509-C520 PolarHBondContact SG-SG 3.07Å |
| 510 | V | 78.7 | Confident | 73.1 | Confident | 52 Ų | 52 | 56 Ų | 56 | 32% | 0.315 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137.1 | 176.1 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | L518 T519 | V510-L518 CarbonylContact O-C 3.47Å; V510-L518 WeakPolarHBondContact O-CA 3.47Å; V510-T519 PolarHBondContact N-O 3Å; V510-T519 PolarHBondContact O-N 2.75Å |
| 511 | V | 75.3 | Confident | 73.1 | Confident | 36 Ų | 36 | 57.5 Ų | 57.5 | 22% | 0.218 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 152.2 | -178 | 171.1 | 0 | 0 | 0 | 0 | 109.3 | I371 P517 L518 M532 F549 | I371-V511 WeakPolarHBondContact CD1-O 3.43Å; V511-P517 CarbonylContact C-O 3.57Å; V511-P517 WeakPolarHBondContact CA-O 3.29Å; V511-L518 HydrophobicContact CG2-CD1 3.71Å; V511-M532 HydrophobicContact CG1-CE 3.48Å; V511-M532 VanDerWaalsContact CG1-CE 3.48Å; V511-F549 HydrophobicContact CB-CZ 4.46Å; V511-F549 HydrophobicContact CG1-CE1 4.02Å; V511-F549 HydrophobicContact CG1-CZ 3.81Å; V511-F549 HydrophobicContact CG2-CE1 4.37Å; V511-F549 HydrophobicContact CG2-CZ 3.79Å |
| 512 | G | 70.2 | Confident | 73.2 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | trans | -108.8 | -177.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P517 | G512-P517 PolarHBondContact N-O 2.71Š| ||
| 513 | D | 69.8 | Low | 73.4 | Confident | 23 Ų | 23 | 59.8 Ų | 59.8 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -71.8 | -174.9 | 171 | 59.2 | -21.9 | 0 | 0 | 0 | 112.2 | R370 G400 G515 G516 M532 | R370-D513 WeakPolarHBondContact CD-OD2 3.42Å; R370-D513 HydrophobicContact CG-CB 4.15Å; R370-D513 IonicContact NH1-OD2 2.78Å; G400-D513 WeakPolarHBondContact CA-OD1 3.41Å; G400-D513 PolarHBondContact N-OD1 3.06Å; D513-G515 PolarHBondContact O-N 3.36Å; D513-G516 VanDerWaalsContact O-CA 3.32Å; D513-G516 WeakPolarHBondContact O-CA 3.43Å; D513-G516 PolarHBondContact O-N 3.07Å; D513-M532 VanDerWaalsContact O-CB 3.24Å; D513-M532 WeakPolarHBondContact O-CB 3.28Å |
| 514 | S | 77.2 | Confident | 73.9 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 128.4 | 179.1 | -64.6 | 0 | 0 | 0 | 0 | 111.5 | G400 G516 | G400-S514 PolarHBondContact N-O 3.34Å; S514-G516 PolarHBondContact O-N 2.76Å |
| 515 | G | 76.7 | Confident | 75 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -12.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G400 T417 D513 M532 | G400-G515 CarbonylContact C-O 3.52Å; G400-G515 CarbonylContact O-C 3.26Å; T417-G515 PolarHBondContact OG1-O 2.73Å; D513-G515 PolarHBondContact O-N 3.36Å; G515-M532 PolarHBondContact N-O 3.05Å |
| 516 | G | 83.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | trans | -77.2 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | D513 S514 I531 M532 | D513-G516 VanDerWaalsContact O-CA 3.32Å; D513-G516 WeakPolarHBondContact O-CA 3.43Å; D513-G516 PolarHBondContact O-N 3.07Å; S514-G516 PolarHBondContact O-N 2.76Å; G516-I531 WeakPolarHBondContact O-CA 3.26Å; G516-M532 PolarHBondContact O-N 2.91Å | ||
| 517 | P | 89 | Confident | 78.6 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 157.6 | -171.4 | 34.1 | -38 | 0 | 0 | 0 | 114 | S402 V511 G512 T519 I528 G530 | S402-P517 VanDerWaalsContact OG-CB 3.31Å; S402-P517 WeakPolarHBondContact OG-CB 3.33Å; S402-P517 WeakPolarHBondContact OG-CD 3.36Å; S402-P517 WeakPolarHBondContact OG-CG 3.47Å; V511-P517 CarbonylContact C-O 3.57Å; V511-P517 WeakPolarHBondContact CA-O 3.29Å; G512-P517 PolarHBondContact N-O 2.71Å; P517-T519 HydrophobicContact CB-CG2 3.77Å; P517-T519 HydrophobicContact CG-CG2 4.06Å; P517-I528 HydrophobicContact CB-CD1 3.53Å; P517-I528 HydrophobicContact CB-CG1 3.76Å; P517-G530 CarbonylContact C-O 3.58Å; P517-G530 WeakPolarHBondContact CA-O 3.27Å |
| 518 | L | 89.6 | Confident | 80.4 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 99.6 | 148.3 | 168.9 | 66.9 | 0 | 0 | 0 | 106.5 | L502 C509 V510 V511 Y529 G530 F549 | L502-L518 HydrophobicContact CD1-CD2 4.47Å; L502-L518 HydrophobicContact CD2-CD2 3.88Å; C509-L518 HydrophobicContact CB-CD1 4.03Å; V510-L518 CarbonylContact O-C 3.47Å; V510-L518 WeakPolarHBondContact O-CA 3.47Å; V511-L518 HydrophobicContact CG2-CD1 3.71Å; L518-Y529 PolarHBondContact O-N 3.41Å; L518-G530 PolarHBondContact N-O 3.45Å; L518-G530 PolarHBondContact O-N 2.91Å; L518-F549 HydrophobicContact CB-CD1 3.76Å; L518-F549 HydrophobicContact CB-CE1 3.75Å; L518-F549 HydrophobicContact CB-CG 4.35Å; L518-F549 HydrophobicContact CB-CZ 4.32Å; L518-F549 HydrophobicContact CD2-CD1 4.4Å; L518-F549 HydrophobicContact CD2-CD2 4.16Å; L518-F549 HydrophobicContact CD2-CE2 4.35Å; L518-F549 HydrophobicContact CD2-CG 4.18Å |
| 519 | T | 88.4 | Confident | 81.4 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138.4 | 175 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | W384 V493 C509 V510 P517 F527 I528 | W384-T519 HydrophobicContact CZ2-CG2 4.5Å; V493-T519 HydrophobicContact CG2-CG2 3.89Å; C509-T519 CarbonylContact C-O 3.48Å; C509-T519 WeakPolarHBondContact CA-O 3.28Å; V510-T519 PolarHBondContact N-O 3Å; V510-T519 PolarHBondContact O-N 2.75Å; P517-T519 HydrophobicContact CB-CG2 3.77Å; P517-T519 HydrophobicContact CG-CG2 4.06Å; T519-F527 CarbonylContact C-O 3.57Å; T519-F527 VanDerWaalsContact CA-O 3.25Å; T519-F527 WeakPolarHBondContact CA-O 3.3Å; T519-I528 HydrophobicContact CG2-CB 4.44Å |
| 520 | C | 86.5 | Confident | 82 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.9 | 172.5 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | P503 H508 C509 F527 Y529 | P503-C520 HydrophobicContact CG-CB 3.79Å; H508-C520 WeakPolarHBondContact O-CA 3.35Å; C509-C520 HydrophobicContact CB-CB 4.13Å; C509-C520 WeakPolarHBondContact CB-SG 3.42Å; C509-C520 WeakPolarHBondContact SG-CB 3.42Å; C509-C520 CovalentContact SG-SG 2.05Å; C509-C520 PolarHBondContact SG-SG 3.07Å; C520-F527 PolarHBondContact N-O 3.45Å; C520-F527 PolarHBondContact O-N 2.95Å; C520-Y529 HydrophobicContact CB-CD2 3.83Å; C520-Y529 HydrophobicContact CB-CE2 3.9Å |
| 521 | M | 81.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.4 | 172.7 | -166.6 | -167.2 | -72.9 | 0 | 0 | 110.7 | H508 T525 Y526 | H508-M521 HydrophobicContact CB-CB 3.96Å; H508-M521 PolarHBondContact O-N 2.91Å; M521-T525 CarbonylContact C-O 3.56Å; M521-T525 WeakPolarHBondContact CA-O 3.31Å; M521-Y526 HydrophobicContact CB-CD1 4.13Å; M521-Y526 HydrophobicContact CB-CE1 3.92Å; M521-Y526 HydrophobicContact CE-CD2 4.46Å; M521-Y526 HydrophobicContact CE-CE1 4.41Å; M521-Y526 HydrophobicContact CE-CE2 3.54Å; M521-Y526 WeakPolarHBondContact CE-OH 3.48Å; M521-Y526 HydrophobicContact CG-CE2 4.45Å |
| 522 | K | 75.9 | Confident | 83.1 | Confident | 74 Ų | 74 | 31.5 Ų | 31.5 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.8 | 171.8 | -179.2 | -176 | 178.2 | -173.2 | 0 | 107.3 | E500 G524 T525 F527 | E500-K522 IonicContact OE1-NZ 3.16Å; E500-K522 PolarHBondContact OE1-NZ 2.75Å; K522-G524 VanDerWaalsContact C-N 3.26Å; K522-G524 PolarHBondContact O-N 3.2Å; K522-T525 PolarHBondContact N-O 3.48Å; K522-T525 PolarHBondContact O-N 2.79Å; K522-T525 VanDerWaalsContact O-O 3.1Å; K522-F527 HydrophobicContact CB-CD2 3.91Å; K522-F527 HydrophobicContact CB-CE2 3.98Å; K522-F527 HydrophobicContact CD-CE2 4.39Å |
| 523 | N | 74.7 | Confident | 83.7 | Confident | 162 Ų | 162 | 31.7 Ų | 31.7 | 87% | 0.866 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 39.1 | -179.1 | -58.3 | -5.3 | 0 | 0 | 0 | 114.4 | T525 | N523-T525 VanDerWaalsContact C-N 3.29Å; N523-T525 PolarHBondContact O-N 3.37Å |
| 524 | G | 74.5 | Confident | 83.7 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 59% | 0.588 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -14.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K522 | K522-G524 VanDerWaalsContact C-N 3.26Å; K522-G524 PolarHBondContact O-N 3.2Å |
| 525 | T | 80.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 39% | 0.393 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.9 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | C494 M521 K522 N523 F527 | C494-T525 HydrophobicContact CB-CG2 4.42Å; M521-T525 CarbonylContact C-O 3.56Å; M521-T525 WeakPolarHBondContact CA-O 3.31Å; K522-T525 PolarHBondContact N-O 3.48Å; K522-T525 PolarHBondContact O-N 2.79Å; K522-T525 VanDerWaalsContact O-O 3.1Å; N523-T525 VanDerWaalsContact C-N 3.29Å; N523-T525 PolarHBondContact O-N 3.37Å; T525-F527 HydrophobicContact CG2-CD2 4.38Å; T525-F527 HydrophobicContact CG2-CE2 3.76Å; T525-F527 HydrophobicContact CG2-CZ 3.96Å |
| 526 | Y | 87.3 | Confident | 81.6 | Confident | 61 Ų | 61 | 38 Ų | 38 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 131.9 | 177.6 | -76.5 | -90.8 | 0 | 0 | 0 | 112 | W384 V493 C494 M521 | W384-Y526 HydrophobicContact CH2-CD1 4.17Å; W384-Y526 AromaticContact CH2-CD2 3.47Å; W384-Y526 HydrophobicContact CH2-CD2 3.47Å; W384-Y526 VanDerWaalsContact CH2-CD2 3.47Å; W384-Y526 HydrophobicContact CH2-CE2 4.03Å; W384-Y526 AromaticContact CH2-CG 3.53Å; W384-Y526 HydrophobicContact CH2-CG 3.53Å; W384-Y526 HydrophobicContact CZ2-CD1 4.13Å; W384-Y526 HydrophobicContact CZ2-CD2 4.25Å; W384-Y526 AromaticContact CZ2-CG 3.89Å; W384-Y526 HydrophobicContact CZ2-CG 3.89Å; W384-Y526 HydrophobicContact CZ3-CD2 4.24Å; W384-Y526 HydrophobicContact CZ3-CG 4.4Å; V493-Y526 WeakPolarHBondContact CG2-O 3.36Å; C494-Y526 PolarHBondContact N-O 2.03Å; M521-Y526 HydrophobicContact CB-CD1 4.13Å; M521-Y526 HydrophobicContact CB-CE1 3.92Å; M521-Y526 HydrophobicContact CE-CD2 4.46Å; M521-Y526 HydrophobicContact CE-CE1 4.41Å; M521-Y526 HydrophobicContact CE-CE2 3.54Å; M521-Y526 WeakPolarHBondContact CE-OH 3.48Å; M521-Y526 HydrophobicContact CG-CE2 4.45Å |
| 527 | F | 90.4 | Very high | 79.8 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 18% | 0.184 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.5 | 178.7 | -65.5 | -95.3 | 0 | 0 | 0 | 111 | C494 L495 T519 C520 K522 T525 Y529 | C494-F527 HydrophobicContact CB-CD1 3.56Å; C494-F527 HydrophobicContact CB-CE1 3.63Å; C494-F527 HydrophobicContact CB-CG 4.22Å; C494-F527 HydrophobicContact CB-CZ 4.34Å; C494-F527 VanDerWaalsContact O-CA 3.3Å; C494-F527 WeakPolarHBondContact O-CA 3.17Å; L495-F527 WeakPolarHBondContact O-CD1 3.5Å; T519-F527 CarbonylContact C-O 3.57Å; T519-F527 VanDerWaalsContact CA-O 3.25Å; T519-F527 WeakPolarHBondContact CA-O 3.3Å; C520-F527 PolarHBondContact N-O 3.45Å; C520-F527 PolarHBondContact O-N 2.95Å; K522-F527 HydrophobicContact CB-CD2 3.91Å; K522-F527 HydrophobicContact CB-CE2 3.98Å; K522-F527 HydrophobicContact CD-CE2 4.39Å; T525-F527 HydrophobicContact CG2-CD2 4.38Å; T525-F527 HydrophobicContact CG2-CE2 3.76Å; T525-F527 HydrophobicContact CG2-CZ 3.96Å; F527-Y529 HydrophobicContact CB-CD2 4.21Å; F527-Y529 HydrophobicContact CB-CE2 3.63Å; F527-Y529 WeakPolarHBondContact O-CD2 3.12Å; F527-Y529 PolarHBondContact O-N 3.42Å |
| 528 | I | 91.3 | Very high | 77.4 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 101 | 177.9 | -172.3 | 178.1 | 0 | 0 | 0 | 112 | L416 V493 C494 L495 P496 P517 T519 G530 V552 | L416-I528 HydrophobicContact CD2-CD1 4.25Å; V493-I528 HydrophobicContact CG1-CB 4Å; V493-I528 HydrophobicContact CG1-CG2 3.91Å; V493-I528 HydrophobicContact CG2-CB 4.3Å; C494-I528 PolarHBondContact O-N 3.11Å; L495-I528 HydrophobicContact CD2-CG2 3.86Å; P496-I528 WeakPolarHBondContact CD-O 3.24Å; P496-I528 WeakPolarHBondContact CG-O 3.39Å; P517-I528 HydrophobicContact CB-CD1 3.53Å; P517-I528 HydrophobicContact CB-CG1 3.76Å; T519-I528 HydrophobicContact CG2-CB 4.44Å; I528-G530 WeakPolarHBondContact CG1-O 3.49Å; I528-V552 HydrophobicContact CG1-CG2 4.38Å; I528-V552 WeakPolarHBondContact O-CB 3.44Å; I528-V552 WeakPolarHBondContact O-CG1 3.38Å |
| 529 | Y | 90.1 | Very high | 75 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 2% | 0.024 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -22.6 | -179.8 | -73.6 | -89.4 | 0 | 0 | 0 | 113.9 | P496 E500 S501 L502 P503 L518 C520 F527 V552 | P496-Y529 HydrophobicContact CB-CD1 4.08Å; P496-Y529 HydrophobicContact CB-CE1 3.86Å; P496-Y529 HydrophobicContact CG-CD1 4.49Å; E500-Y529 HydrophobicContact CG-CE1 4.15Å; E500-Y529 PolarHBondContact OE1-OH 2.97Å; S501-Y529 WeakPolarHBondContact O-CE1 3.46Å; L502-Y529 HydrophobicContact CD2-CD1 4.13Å; L502-Y529 HydrophobicContact CD2-CD2 4.27Å; L502-Y529 HydrophobicContact CD2-CG 3.69Å; L502-Y529 HydrophobicContact CG-CD1 4.46Å; L502-Y529 HydrophobicContact CG-CG 4.48Å; P503-Y529 HydrophobicContact CG-CE2 4.17Å; L518-Y529 PolarHBondContact O-N 3.41Å; C520-Y529 HydrophobicContact CB-CD2 3.83Å; C520-Y529 HydrophobicContact CB-CE2 3.9Å; F527-Y529 HydrophobicContact CB-CD2 4.21Å; F527-Y529 HydrophobicContact CB-CE2 3.63Å; F527-Y529 WeakPolarHBondContact O-CD2 3.12Å; F527-Y529 PolarHBondContact O-N 3.42Å; Y529-V552 PolarHBondContact O-N 3.33Å |
| 530 | G | 90.4 | Very high | 72.1 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 158.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P517 L518 I528 V550 | P517-G530 CarbonylContact C-O 3.58Å; P517-G530 WeakPolarHBondContact CA-O 3.27Å; L518-G530 PolarHBondContact N-O 3.45Å; L518-G530 PolarHBondContact O-N 2.91Å; I528-G530 WeakPolarHBondContact CG1-O 3.49Å; G530-V550 VanDerWaalsContact CA-O 3.28Å; G530-V550 WeakPolarHBondContact CA-O 3.4Å |
| 531 | I | 90.8 | Very high | 69.6 | Low | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.3 | 167.6 | -54.9 | 163.9 | 0 | 0 | 0 | 107.4 | L416 A418 I475 G516 S533 F549 V550 V552 | L416-I531 HydrophobicContact CD1-CD1 4.07Å; L416-I531 HydrophobicContact CD2-CD1 3.98Å; L416-I531 HydrophobicContact CD2-CG1 4.44Å; L416-I531 HydrophobicContact CG-CD1 3.68Å; L416-I531 HydrophobicContact CG-CG1 4.34Å; A418-I531 HydrophobicContact CB-CG2 4.06Å; I475-I531 HydrophobicContact CB-CD1 4.4Å; I475-I531 HydrophobicContact CD1-CD1 3.72Å; I475-I531 HydrophobicContact CG1-CD1 3.62Å; G516-I531 WeakPolarHBondContact O-CA 3.26Å; I531-S533 PolarHBondContact O-N 3.2Å; I531-S533 VanDerWaalsContact O-N 3.12Å; I531-F549 CarbonylContact O-C 3.52Å; I531-F549 WeakPolarHBondContact O-CA 3.48Å; I531-V550 HydrophobicContact CB-CB 4.28Å; I531-V550 PolarHBondContact N-O 3.16Å; I531-V550 VanDerWaalsContact N-O 3.17Å; I531-V550 PolarHBondContact O-N 3.4Å; I531-V552 HydrophobicContact CD1-CG2 4.1Å; I531-V552 HydrophobicContact CG1-CG2 3.76Å |
| 532 | M | 85.8 | Confident | 67.4 | Low | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.054 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 111 | -178 | -178.9 | 64.5 | 78.6 | 0 | 0 | 111.2 | V511 D513 G515 G516 Q547 F549 | V511-M532 HydrophobicContact CG1-CE 3.48Å; V511-M532 VanDerWaalsContact CG1-CE 3.48Å; D513-M532 VanDerWaalsContact O-CB 3.24Å; D513-M532 WeakPolarHBondContact O-CB 3.28Å; G515-M532 PolarHBondContact N-O 3.05Å; G516-M532 PolarHBondContact O-N 2.91Å; M532-Q547 HydrophobicContact CE-CB 3.98Å; M532-Q547 HydrophobicContact CE-CG 3.91Å; M532-Q547 HydrophobicContact SD-CB 4.12Å; M532-Q547 HydrophobicContact SD-CG 4.38Å; M532-F549 HydrophobicContact CB-CD1 4.3Å; M532-F549 HydrophobicContact CB-CE1 4.14Å; M532-F549 HydrophobicContact CE-CD1 4.5Å; M532-F549 HydrophobicContact CE-CE1 3.51Å; M532-F549 HydrophobicContact CE-CE2 4.45Å; M532-F549 HydrophobicContact CE-CZ 3.48Å; M532-F549 VanDerWaalsContact CE-CZ 3.48Å; M532-F549 HydrophobicContact SD-CD1 4.49Å; M532-F549 HydrophobicContact SD-CE1 4.02Å; M532-F549 HydrophobicContact SD-CZ 4.22Å |
| 533 | S | 82.9 | Confident | 65.5 | Low | 11 Ų | 11 | 78.6 Ų | 78.6 | 8% | 0.077 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -49.7 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | H420 D474 I531 A548 | H420-S533 PolarHBondContact CE1-O 2.92Å; D474-S533 WeakPolarHBondContact OD2-CB 3.42Å; D474-S533 PolarHBondContact OD2-OG 2.9Å; I531-S533 PolarHBondContact O-N 3.2Å; I531-S533 VanDerWaalsContact O-N 3.12Å; S533-A548 PolarHBondContact N-O 2.88Å |
| 534 | F | 71.4 | Confident | 63.9 | Low | 53 Ų | 53 | 79.7 Ų | 79.7 | 23% | 0.232 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 157 | 175.4 | 73.1 | -86.9 | 0 | 0 | 0 | 114 | F536 A548 | F534-F536 AromaticContact CE2-CD1 3.9Å; F534-F536 HydrophobicContact CE2-CD1 3.9Å; F534-F536 AromaticContact CE2-CD2 3.82Å; F534-F536 HydrophobicContact CE2-CD2 3.82Å; F534-F536 AromaticContact CE2-CE1 3.72Å; F534-F536 HydrophobicContact CE2-CE1 3.72Å; F534-F536 AromaticContact CE2-CE2 3.65Å; F534-F536 HydrophobicContact CE2-CE2 3.65Å; F534-F536 AromaticContact CE2-CG 3.96Å; F534-F536 HydrophobicContact CE2-CG 3.96Å; F534-F536 AromaticContact CE2-CZ 3.6Å; F534-F536 HydrophobicContact CE2-CZ 3.6Å; F534-F536 HydrophobicContact CZ-CE1 4.05Å; F534-F536 AromaticContact CZ-CE2 3.89Å; F534-F536 HydrophobicContact CZ-CE2 3.89Å; F534-F536 AromaticContact CZ-CZ 3.63Å; F534-F536 HydrophobicContact CZ-CZ 3.63Å; F534-A548 HydrophobicContact CD1-CB 3.63Å; F534-A548 HydrophobicContact CD2-CB 4.27Å; F534-A548 HydrophobicContact CE1-CB 3.34Å; F534-A548 HydrophobicContact CE2-CB 4.03Å; F534-A548 HydrophobicContact CG-CB 4.08Å; F534-A548 HydrophobicContact CZ-CB 3.56Å; F534-A548 PolarHBondContact N-O 2.87Å; F534-A548 WeakPolarHBondContact O-CB 3.03Å; F534-A548 PolarHBondContact O-N 2.96Å |
| 535 | Q | 59.2 | Low | 62.3 | Low | 77 Ų | 77 | 79.5 Ų | 79.5 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 140.1 | 168.6 | -172.6 | 173.7 | -1.8 | 0 | 0 | 109.9 | P537 D545 Q547 | Q535-P537 WeakPolarHBondContact O-CD 3.31Å; Q535-D545 VanDerWaalsContact NE2-CG 3.33Å; Q535-D545 PolarHBondContact NE2-OD1 3.1Å; Q535-Q547 HydrophobicContact CG-CG 4.34Å |
| 536 | F | 50.6 | Low | 61.1 | Low | 87 Ų | 87 | 83.3 Ų | 83.3 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | trans | -75.3 | 125.4 | 175.3 | -73.2 | -93.2 | 0 | 0 | 0 | 110 | F534 E538 K546 A548 | F534-F536 AromaticContact CE2-CD1 3.9Å; F534-F536 HydrophobicContact CE2-CD1 3.9Å; F534-F536 AromaticContact CE2-CD2 3.82Å; F534-F536 HydrophobicContact CE2-CD2 3.82Å; F534-F536 AromaticContact CE2-CE1 3.72Å; F534-F536 HydrophobicContact CE2-CE1 3.72Å; F534-F536 AromaticContact CE2-CE2 3.65Å; F534-F536 HydrophobicContact CE2-CE2 3.65Å; F534-F536 AromaticContact CE2-CG 3.96Å; F534-F536 HydrophobicContact CE2-CG 3.96Å; F534-F536 AromaticContact CE2-CZ 3.6Å; F534-F536 HydrophobicContact CE2-CZ 3.6Å; F534-F536 HydrophobicContact CZ-CE1 4.05Å; F534-F536 AromaticContact CZ-CE2 3.89Å; F534-F536 HydrophobicContact CZ-CE2 3.89Å; F534-F536 AromaticContact CZ-CZ 3.63Å; F534-F536 HydrophobicContact CZ-CZ 3.63Å; F536-E538 PolarHBondContact O-N 3.47Å; F536-E538 VanDerWaalsContact O-N 3.11Å; F536-K546 HydrophobicContact CB-CB 4.32Å; F536-K546 HydrophobicContact CD2-CB 3.61Å; F536-K546 WeakPolarHBondContact CD2-O 3.15Å; F536-K546 HydrophobicContact CE2-CB 4.29Å; F536-K546 HydrophobicContact CG-CB 4.27Å; F536-K546 PolarHBondContact N-O 3.49Å; F536-A548 HydrophobicContact CE2-CB 4.24Å | ||
| 537 | P | 43.7 | Very low | 60.2 | Low | 123 Ų | 123 | 83.2 Ų | 83.2 | 80% | 0.799 | 41% | 0.412 | S | S | * | . | trans | -82.3 | 26.4 | 175.3 | 36.5 | -37.2 | 0 | 0 | 0 | 112.3 | Q535 H539 | Q535-P537 WeakPolarHBondContact O-CD 3.31Å; P537-H539 PolarHBondContact O-N 2.96Å | ||
| 538 | E | 38.6 | Very low | 59.6 | Low | 138 Ų | 138 | 82.3 Ų | 82.3 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -74.3 | 93.8 | 173.2 | -78.6 | -160.7 | 144.6 | 0 | 0 | 108.9 | F536 | F536-E538 PolarHBondContact O-N 3.47Å; F536-E538 VanDerWaalsContact O-N 3.11Å |
| 539 | H | 39 | Very low | 59.4 | Low | 156 Ų | 156 | 85.1 Ų | 85.1 | 72% | 0.722 | 43% | 0.425 | S | S | * | . | trans | 40.9 | 97.4 | 161.5 | -54.7 | 79.2 | 0 | 0 | 0 | 114.4 | P537 T541 | P537-H539 PolarHBondContact O-N 2.96Å; H539-T541 PolarHBondContact O-N 2.84Å; H539-T541 PolarHBondContact O-OG1 3.36Å | ||
| 540 | C | 29.2 | Very low | 59.3 | Low | 103 Ų | 103 | 85.5 Ų | 85.5 | 70% | 0.696 | 43% | 0.428 | S | S | * | . | trans | -64.7 | 72.7 | 172.8 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 541 | T | 33 | Very low | 59.3 | Low | 100 Ų | 100 | 90.1 Ų | 90.1 | 61% | 0.613 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -142.5 | 100.8 | -180 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | H539 R543 | H539-T541 PolarHBondContact O-N 2.84Å; H539-T541 PolarHBondContact O-OG1 3.36Å; T541-R543 PolarHBondContact O-N 3.42Å |
| 542 | D | 35.2 | Very low | 59.3 | Low | 162 Ų | 162 | 90.1 Ų | 90.1 | 87% | 0.866 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 73.2 | -4.5 | 153.7 | -55.3 | -25.4 | 0 | 0 | 0 | 122.5 | ||
| 543 | R | 37.7 | Very low | 59.5 | Low | 234 Ų | 234 | 89.6 Ų | 89.6 | 88% | 0.883 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -142.2 | 104 | 171.9 | -65.8 | -171.1 | -176.3 | -175.2 | 1.7 | 114.6 | T541 | T541-R543 PolarHBondContact O-N 3.42Š|
| 544 | M | 39.5 | Very low | 59.8 | Low | 185 Ų | 185 | 94.4 Ų | 94.4 | 91% | 0.911 | 47% | 0.466 | S | S | * | . | trans | 34 | 91.8 | 157.3 | -73 | -83.5 | 165.7 | 0 | 0 | 114.2 | K546 | M544-K546 PolarHBondContact O-N 2.81Š| ||
| 545 | D | 42 | Very low | 60.6 | Low | 52 Ų | 52 | 93.3 Ų | 93.3 | 28% | 0.278 | 46% | 0.461 | S | S | . | . | trans | -41 | 113.5 | 179.8 | -74.6 | -65.6 | 0 | 0 | 0 | 112.1 | N373 Q535 Q547 | N373-D545 PolarHBondContact ND2-OD2 2.82Å; N373-D545 VanDerWaalsContact ND2-OD2 3.11Å; Q535-D545 VanDerWaalsContact NE2-CG 3.33Å; Q535-D545 PolarHBondContact NE2-OD1 3.1Å; D545-Q547 PolarHBondContact O-N 2.9Å; D545-Q547 VanDerWaalsContact O-N 3.1Å | ||
| 546 | K | 55.4 | Low | 61.9 | Low | 145 Ų | 145 | 90.2 Ų | 90.2 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -68.7 | 115.7 | 175.9 | -68.9 | -177.7 | -178.4 | 176.1 | 0 | 108.5 | F536 M544 | F536-K546 HydrophobicContact CB-CB 4.32Å; F536-K546 HydrophobicContact CD2-CB 3.61Å; F536-K546 WeakPolarHBondContact CD2-O 3.15Å; F536-K546 HydrophobicContact CE2-CB 4.29Å; F536-K546 HydrophobicContact CG-CB 4.27Å; F536-K546 PolarHBondContact N-O 3.49Å; M544-K546 PolarHBondContact O-N 2.81Å | ||
| 547 | Q | 68.8 | Low | 63.2 | Low | 59 Ų | 59 | 92.2 Ų | 92.2 | 28% | 0.276 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.3 | 175.6 | -68.7 | 169.1 | -6.9 | 0 | 0 | 108.6 | M532 Q535 D545 F549 | M532-Q547 HydrophobicContact CE-CB 3.98Å; M532-Q547 HydrophobicContact CE-CG 3.91Å; M532-Q547 HydrophobicContact SD-CB 4.12Å; M532-Q547 HydrophobicContact SD-CG 4.38Å; Q535-Q547 HydrophobicContact CG-CG 4.34Å; D545-Q547 PolarHBondContact O-N 2.9Å; D545-Q547 VanDerWaalsContact O-N 3.1Å; Q547-F549 HydrophobicContact CB-CD2 4.4Å; Q547-F549 HydrophobicContact CB-CE2 3.59Å; Q547-F549 HydrophobicContact CB-CZ 3.93Å |
| 548 | A | 77.8 | Confident | 65.1 | Low | 23 Ų | 23 | 90 Ų | 90 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 118.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | S533 F534 F536 | S533-A548 PolarHBondContact N-O 2.88Å; F534-A548 HydrophobicContact CD1-CB 3.63Å; F534-A548 HydrophobicContact CD2-CB 4.27Å; F534-A548 HydrophobicContact CE1-CB 3.34Å; F534-A548 HydrophobicContact CE2-CB 4.03Å; F534-A548 HydrophobicContact CG-CB 4.08Å; F534-A548 HydrophobicContact CZ-CB 3.56Å; F534-A548 PolarHBondContact N-O 2.87Å; F534-A548 WeakPolarHBondContact O-CB 3.03Å; F534-A548 PolarHBondContact O-N 2.96Å; F536-A548 HydrophobicContact CE2-CB 4.24Å |
| 549 | F | 86 | Confident | 67.2 | Low | 60 Ų | 60 | 83.6 Ų | 83.6 | 26% | 0.263 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 144.2 | 178.9 | -60.1 | -90.2 | 0 | 0 | 0 | 111 | V511 L518 I531 M532 Q547 K551 | V511-F549 HydrophobicContact CB-CZ 4.46Å; V511-F549 HydrophobicContact CG1-CE1 4.02Å; V511-F549 HydrophobicContact CG1-CZ 3.81Å; V511-F549 HydrophobicContact CG2-CE1 4.37Å; V511-F549 HydrophobicContact CG2-CZ 3.79Å; L518-F549 HydrophobicContact CB-CD1 3.76Å; L518-F549 HydrophobicContact CB-CE1 3.75Å; L518-F549 HydrophobicContact CB-CG 4.35Å; L518-F549 HydrophobicContact CB-CZ 4.32Å; L518-F549 HydrophobicContact CD2-CD1 4.4Å; L518-F549 HydrophobicContact CD2-CD2 4.16Å; L518-F549 HydrophobicContact CD2-CE2 4.35Å; L518-F549 HydrophobicContact CD2-CG 4.18Å; I531-F549 CarbonylContact O-C 3.52Å; I531-F549 WeakPolarHBondContact O-CA 3.48Å; M532-F549 HydrophobicContact CB-CD1 4.3Å; M532-F549 HydrophobicContact CB-CE1 4.14Å; M532-F549 HydrophobicContact CE-CD1 4.5Å; M532-F549 HydrophobicContact CE-CE1 3.51Å; M532-F549 HydrophobicContact CE-CE2 4.45Å; M532-F549 HydrophobicContact CE-CZ 3.48Å; M532-F549 VanDerWaalsContact CE-CZ 3.48Å; M532-F549 HydrophobicContact SD-CD1 4.49Å; M532-F549 HydrophobicContact SD-CE1 4.02Å; M532-F549 HydrophobicContact SD-CZ 4.22Å; Q547-F549 HydrophobicContact CB-CD2 4.4Å; Q547-F549 HydrophobicContact CB-CE2 3.59Å; Q547-F549 HydrophobicContact CB-CZ 3.93Å; F549-K551 PolarHBondContact O-N 3.01Å |
| 550 | V | 88.6 | Confident | 68.9 | Low | 15 Ų | 15 | 79.1 Ų | 79.1 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 116.6 | 163.5 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | D474 I475 G530 I531 V552 Y555 | D474-V550 HydrophobicContact CB-CG2 4.08Å; D474-V550 WeakPolarHBondContact O-CG2 3.24Å; I475-V550 HydrophobicContact CB-CG1 4.46Å; G530-V550 VanDerWaalsContact CA-O 3.28Å; G530-V550 WeakPolarHBondContact CA-O 3.4Å; I531-V550 HydrophobicContact CB-CB 4.28Å; I531-V550 PolarHBondContact N-O 3.16Å; I531-V550 VanDerWaalsContact N-O 3.17Å; I531-V550 PolarHBondContact O-N 3.4Å; V550-V552 PolarHBondContact O-N 3.05Å; V550-Y555 HydrophobicContact CG1-CD2 3.7Å; V550-Y555 HydrophobicContact CG1-CE2 3.3Å |
| 551 | K | 90.4 | Very high | 70.7 | Confident | 98 Ų | 98 | 81.4 Ų | 81.4 | 43% | 0.426 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 101.5 | 178 | -178.2 | -176.7 | 173.8 | -167.6 | 0 | 110.1 | D499 E500 F549 S553 H554 Y555 | D499-K551 PolarHBondContact O-NZ 3.49Å; E500-K551 WeakPolarHBondContact O-CE 3.33Å; F549-K551 PolarHBondContact O-N 3.01Å; K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 WeakPolarHBondContact CE-OG 3.5Å; K551-S553 WeakPolarHBondContact CG-OG 3.38Å; K551-S553 PolarHBondContact O-N 3.1Å; K551-H554 HydrophobicContact CB-CB 4.43Å; K551-H554 HydrophobicContact CD-CB 4.37Å; K551-H554 HydrophobicContact CG-CB 4.35Å; K551-H554 WeakPolarHBondContact O-CB 3.13Å; K551-H554 PolarHBondContact O-N 3.47Å; K551-H554 VanDerWaalsContact O-N 3.11Å; K551-Y555 WeakPolarHBondContact O-CD2 3.47Å |
| 552 | V | 91.4 | Very high | 72.5 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -62.2 | -37.5 | -173.3 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | L416 L495 P496 I528 Y529 I531 V550 H554 Y555 I556 L559 | L416-V552 HydrophobicContact CD2-CG1 4.26Å; L416-V552 HydrophobicContact CD2-CG2 4.45Å; L495-V552 HydrophobicContact CD2-CG1 4.01Å; P496-V552 HydrophobicContact CG-CB 4.42Å; P496-V552 HydrophobicContact CG-CG1 4.22Å; I528-V552 HydrophobicContact CG1-CG2 4.38Å; I528-V552 WeakPolarHBondContact O-CB 3.44Å; I528-V552 WeakPolarHBondContact O-CG1 3.38Å; Y529-V552 PolarHBondContact O-N 3.33Å; I531-V552 HydrophobicContact CD1-CG2 4.1Å; I531-V552 HydrophobicContact CG1-CG2 3.76Å; V550-V552 PolarHBondContact O-N 3.05Å; V552-H554 PolarHBondContact O-N 3.41Å; V552-H554 VanDerWaalsContact O-N 3.11Å; V552-Y555 PolarHBondContact O-N 2.73Å; V552-I556 HydrophobicContact CG1-CD1 4.39Å; V552-I556 PolarHBondContact O-N 3.02Å; V552-L559 HydrophobicContact CG1-CD1 4.32Å |
| 553 | S | 88.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -58.4 | -25.4 | 177.7 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | M497 E498 D499 E500 K551 Y555 I556 | M497-S553 WeakPolarHBondContact O-CB 2.93Å; E498-S553 WeakPolarHBondContact CA-O 3.24Å; D499-S553 PolarHBondContact N-O 3.18Å; E500-S553 PolarHBondContact O-OG 2.84Å; K551-S553 VanDerWaalsContact C-N 3.31Å; K551-S553 WeakPolarHBondContact CE-OG 3.5Å; K551-S553 WeakPolarHBondContact CG-OG 3.38Å; K551-S553 PolarHBondContact O-N 3.1Å; S553-Y555 VanDerWaalsContact C-N 3.35Å; S553-I556 WeakPolarHBondContact O-CG1 3.42Å |
| 554 | H | 89.1 | Confident | 74.5 | Confident | 112 Ų | 112 | 62.1 Ų | 62.1 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -76.8 | -18.8 | 174.2 | -168.7 | 62.2 | 0 | 0 | 0 | 113.8 | D499 K551 V552 | D499-H554 IonicContact OD1-CG 3.16Å; D499-H554 IonicContact OD1-ND1 4Å; D499-H554 PolarHBondContact OD1-ND1 2.98Å; K551-H554 HydrophobicContact CB-CB 4.43Å; K551-H554 HydrophobicContact CD-CB 4.37Å; K551-H554 HydrophobicContact CG-CB 4.35Å; K551-H554 WeakPolarHBondContact O-CB 3.13Å; K551-H554 PolarHBondContact O-N 3.47Å; K551-H554 VanDerWaalsContact O-N 3.11Å; V552-H554 PolarHBondContact O-N 3.41Å; V552-H554 VanDerWaalsContact O-N 3.11Å |
| 555 | Y | 89.3 | Confident | 75.1 | Confident | 30 Ų | 30 | 60 Ų | 60 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -100.8 | 2.8 | -179.5 | -71.3 | -94.4 | 0 | 0 | 0 | 113.3 | H473 I475 V550 K551 V552 S553 K557 W558 L559 | H473-Y555 WeakPolarHBondContact CA-OH 3.37Å; H473-Y555 HydrophobicContact CB-CE1 4.49Å; H473-Y555 AromaticContact ND1-CE1 3.61Å; H473-Y555 AromaticContact ND1-CZ 3.68Å; H473-Y555 PolarHBondContact ND1-OH 3.2Å; I475-Y555 HydrophobicContact CD1-CD1 4.07Å; I475-Y555 HydrophobicContact CD1-CD2 4.29Å; I475-Y555 HydrophobicContact CD1-CG 3.77Å; I475-Y555 HydrophobicContact CG2-CD1 3.79Å; I475-Y555 HydrophobicContact CG2-CE1 3.74Å; I475-Y555 HydrophobicContact CG2-CG 4.49Å; V550-Y555 HydrophobicContact CG1-CD2 3.7Å; V550-Y555 HydrophobicContact CG1-CE2 3.3Å; K551-Y555 WeakPolarHBondContact O-CD2 3.47Å; V552-Y555 PolarHBondContact O-N 2.73Å; S553-Y555 VanDerWaalsContact C-N 3.35Å; Y555-K557 PolarHBondContact O-N 3.04Å; Y555-W558 HydrophobicContact CD1-CB 4.49Å; Y555-W558 HydrophobicContact CD1-CE3 4.39Å; Y555-W558 CarbonylContact O-C 3.43Å; Y555-W558 WeakPolarHBondContact O-CA 3.48Å; Y555-W558 WeakPolarHBondContact O-CB 3.05Å; Y555-W558 PolarHBondContact O-N 3.17Å; Y555-L559 WeakPolarHBondContact O-CG 3.27Å; Y555-L559 PolarHBondContact O-N 2.75Å |
| 556 | I | 85.3 | Confident | 75.5 | Confident | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | -178.8 | -62.9 | -64.8 | 0 | 0 | 0 | 111.4 | L495 P496 E498 V552 S553 W558 L559 N560 | L495-I556 HydrophobicContact CB-CD1 4.01Å; L495-I556 HydrophobicContact CD1-CD1 4.35Å; L495-I556 HydrophobicContact CD2-CD1 4.42Å; P496-I556 HydrophobicContact CG-CD1 4.46Å; P496-I556 VanDerWaalsContact O-CD1 3.24Å; P496-I556 WeakPolarHBondContact O-CD1 3.14Å; E498-I556 HydrophobicContact CB-CB 4.11Å; E498-I556 HydrophobicContact CB-CG2 4.2Å; E498-I556 HydrophobicContact CG-CB 4.34Å; V552-I556 HydrophobicContact CG1-CD1 4.39Å; V552-I556 PolarHBondContact O-N 3.02Å; S553-I556 WeakPolarHBondContact O-CG1 3.42Å; I556-W558 VanDerWaalsContact C-N 3.26Å; I556-W558 PolarHBondContact O-N 3.23Å; I556-L559 HydrophobicContact CD1-CD1 4.36Å; I556-L559 PolarHBondContact O-N 3.05Å; I556-N560 WeakPolarHBondContact O-CB 3.13Å; I556-N560 PolarHBondContact O-N 2.95Å; I556-N560 PolarHBondContact O-OD1 3.19Å |
| 557 | K | 78.7 | Confident | 75 | Confident | 129 Ų | 129 | 53.7 Ų | 53.7 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -56.2 | -37 | 172.9 | -92.3 | 178.7 | -168.4 | 113.6 | 0 | 113.8 | E498 Y555 K561 | E498-K557 WeakPolarHBondContact OE1-CD 3.45Å; E498-K557 WeakPolarHBondContact OE1-CE 3.42Å; E498-K557 WeakPolarHBondContact OE1-CG 3.18Å; E498-K557 IonicContact OE1-NZ 3.99Å; E498-K557 PolarHBondContact OE1-NZ 2.95Å; E498-K557 WeakPolarHBondContact OE2-CE 3.45Å; E498-K557 WeakPolarHBondContact OE2-CG 3.32Å; E498-K557 IonicContact OE2-NZ 3.92Å; E498-K557 PolarHBondContact OE2-NZ 2.91Å; Y555-K557 PolarHBondContact O-N 3.04Å; K557-K561 WeakPolarHBondContact O-CB 3.18Å; K557-K561 PolarHBondContact O-N 2.91Å |
| 558 | W | 83.3 | Confident | 73.8 | Confident | 77 Ų | 77 | 53.1 Ų | 53.1 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.3 | -47.6 | 178 | 177.7 | 85.6 | 0 | 0 | 0 | 111.1 | V462 I475 V477 Y555 I556 K561 L562 | V462-W558 HydrophobicContact CG1-CZ2 4.26Å; I475-W558 HydrophobicContact CD1-CE3 4.39Å; I475-W558 HydrophobicContact CD1-CZ3 4.05Å; I475-W558 HydrophobicContact CG1-CZ3 3.96Å; I475-W558 HydrophobicContact CG2-CE3 4.45Å; I475-W558 HydrophobicContact CG2-CH2 4.05Å; I475-W558 HydrophobicContact CG2-CZ3 3.97Å; V477-W558 HydrophobicContact CG2-CH2 4.17Å; V477-W558 HydrophobicContact CG2-CZ3 3.87Å; Y555-W558 HydrophobicContact CD1-CB 4.49Å; Y555-W558 HydrophobicContact CD1-CE3 4.39Å; Y555-W558 CarbonylContact O-C 3.43Å; Y555-W558 WeakPolarHBondContact O-CA 3.48Å; Y555-W558 WeakPolarHBondContact O-CB 3.05Å; Y555-W558 PolarHBondContact O-N 3.17Å; I556-W558 VanDerWaalsContact C-N 3.26Å; I556-W558 PolarHBondContact O-N 3.23Å; W558-K561 PolarHBondContact O-N 3.11Å; W558-L562 HydrophobicContact CD2-CD1 3.9Å; W558-L562 HydrophobicContact CE3-CD1 3.96Å; W558-L562 HydrophobicContact CH2-CD1 3.38Å; W558-L562 HydrophobicContact CZ2-CD1 3.29Å; W558-L562 HydrophobicContact CZ3-CD1 3.71Å; W558-L562 WeakPolarHBondContact O-CB 3.21Å; W558-L562 PolarHBondContact O-N 2.97Å |
| 559 | L | 83 | Confident | 72 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 175.5 | -69.7 | 173 | 0 | 0 | 0 | 111.1 | L416 V477 L495 V552 Y555 I556 K561 L562 V563 | L416-L559 HydrophobicContact CD1-CD2 3.86Å; L416-L559 HydrophobicContact CD2-CD1 4.38Å; V477-L559 HydrophobicContact CG2-CD2 3.45Å; V477-L559 VanDerWaalsContact CG2-CD2 3.45Å; L495-L559 HydrophobicContact CD1-CD1 4.34Å; L495-L559 HydrophobicContact CD2-CD1 4.12Å; V552-L559 HydrophobicContact CG1-CD1 4.32Å; Y555-L559 WeakPolarHBondContact O-CG 3.27Å; Y555-L559 PolarHBondContact O-N 2.75Å; I556-L559 HydrophobicContact CD1-CD1 4.36Å; I556-L559 PolarHBondContact O-N 3.05Å; L559-K561 VanDerWaalsContact C-N 3.33Å; L559-K561 PolarHBondContact O-N 3.06Å; L559-L562 PolarHBondContact O-N 3.22Å; L559-L562 VanDerWaalsContact O-N 3.08Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.12Å; L559-V563 PolarHBondContact O-N 3.21Å |
| 560 | N | 74.2 | Confident | 69.9 | Low | 63 Ų | 63 | 58.7 Ų | 58.7 | 34% | 0.337 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.5 | -45.3 | -179.1 | -61.3 | 8.7 | 0 | 0 | 0 | 111.4 | W406 I556 L562 C564 | W406-N560 HydrophobicContact CH2-CB 4.09Å; W406-N560 WeakPolarHBondContact CH2-OD1 3.33Å; W406-N560 WeakPolarHBondContact CZ3-OD1 3.44Å; I556-N560 WeakPolarHBondContact O-CB 3.13Å; I556-N560 PolarHBondContact O-N 2.95Å; I556-N560 PolarHBondContact O-OD1 3.19Å; N560-L562 VanDerWaalsContact C-N 3.33Å; N560-L562 PolarHBondContact O-N 3.35Å; N560-C564 PolarHBondContact O-N 2.82Å; N560-C564 VanDerWaalsContact O-N 3.17Å; N560-C564 PolarHBondContact O-SG 2.85Å |
| 561 | K | 68.4 | Low | 67.8 | Low | 150 Ų | 150 | 59.3 Ų | 59.3 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.7 | -35 | 178 | -172.3 | 177 | -176.1 | 179.3 | 0 | 112.8 | K557 W558 L559 K565 | K557-K561 WeakPolarHBondContact O-CB 3.18Å; K557-K561 PolarHBondContact O-N 2.91Å; W558-K561 PolarHBondContact O-N 3.11Å; L559-K561 VanDerWaalsContact C-N 3.33Å; L559-K561 PolarHBondContact O-N 3.06Å; K561-K565 PolarHBondContact O-N 2.79Å |
| 562 | L | 69.5 | Low | 65.7 | Low | 12 Ų | 12 | 55.9 Ų | 55.9 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -78.3 | -43.1 | -177.4 | -174.4 | 166.7 | 0 | 0 | 0 | 111.5 | V462 V477 W558 L559 N560 K565 L566 | V462-L562 HydrophobicContact CB-CD1 3.76Å; V462-L562 HydrophobicContact CB-CD2 4.07Å; V462-L562 HydrophobicContact CB-CG 4.03Å; V462-L562 HydrophobicContact CG1-CD1 3.47Å; V462-L562 VanDerWaalsContact CG1-CD1 3.47Å; V462-L562 HydrophobicContact CG1-CG 3.93Å; V462-L562 HydrophobicContact CG2-CD1 4.44Å; V462-L562 HydrophobicContact CG2-CD2 4.02Å; V462-L562 HydrophobicContact CG2-CG 4.16Å; V477-L562 HydrophobicContact CB-CD2 4.05Å; V477-L562 HydrophobicContact CG1-CD2 4.21Å; V477-L562 HydrophobicContact CG2-CD1 4.25Å; V477-L562 HydrophobicContact CG2-CD2 4.2Å; W558-L562 HydrophobicContact CD2-CD1 3.9Å; W558-L562 HydrophobicContact CE3-CD1 3.96Å; W558-L562 HydrophobicContact CH2-CD1 3.38Å; W558-L562 HydrophobicContact CZ2-CD1 3.29Å; W558-L562 HydrophobicContact CZ3-CD1 3.71Å; W558-L562 WeakPolarHBondContact O-CB 3.21Å; W558-L562 PolarHBondContact O-N 2.97Å; L559-L562 PolarHBondContact O-N 3.22Å; L559-L562 VanDerWaalsContact O-N 3.08Å; N560-L562 VanDerWaalsContact C-N 3.33Å; N560-L562 PolarHBondContact O-N 3.35Å; L562-K565 WeakPolarHBondContact O-CB 3.3Å; L562-K565 PolarHBondContact O-N 3.43Å; L562-K565 VanDerWaalsContact O-N 3.16Å; L562-L566 HydrophobicContact CD2-CD1 3.45Å; L562-L566 VanDerWaalsContact CD2-CD1 3.45Å; L562-L566 HydrophobicContact CD2-CG 4Å; L562-L566 PolarHBondContact O-N 3.48Å |
| 563 | V | 62 | Low | 63.7 | Low | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | W406 L414 L559 K565 L566 F567 | W406-V563 HydrophobicContact CD2-CB 4.46Å; W406-V563 HydrophobicContact CD2-CG1 3.85Å; W406-V563 VanDerWaalsContact CE2-CG1 3.47Å; W406-V563 HydrophobicContact CG-CG1 4Å; W406-V563 HydrophobicContact CZ2-CB 4.16Å; W406-V563 HydrophobicContact CZ2-CG1 4.02Å; W406-V563 VanDerWaalsContact NE1-CG1 3.32Å; L414-V563 HydrophobicContact CD1-CB 4.44Å; L414-V563 HydrophobicContact CD1-CG1 3.77Å; L414-V563 HydrophobicContact CD1-CG2 3.74Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 VanDerWaalsContact O-CG2 3.3Å; L559-V563 WeakPolarHBondContact O-CG2 3.12Å; L559-V563 PolarHBondContact O-N 3.21Å; V563-K565 VanDerWaalsContact C-N 3.35Å; V563-K565 PolarHBondContact O-N 3.46Å; V563-L566 PolarHBondContact O-N 2.91Å; V563-F567 HydrophobicContact CG1-CD2 3.6Å; V563-F567 HydrophobicContact CG1-CE2 3.8Å; V563-F567 PolarHBondContact O-N 3.35Å |
| 564 | C | 54.3 | Low | 62 | Low | 77 Ų | 77 | 62.1 Ų | 62.1 | 52% | 0.52 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.1 | -47.9 | 169.4 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | N560 Q568 | N560-C564 PolarHBondContact O-N 2.82Å; N560-C564 VanDerWaalsContact O-N 3.17Å; N560-C564 PolarHBondContact O-SG 2.85Å; C564-Q568 WeakPolarHBondContact O-CG 3.42Å; C564-Q568 PolarHBondContact O-N 3.14Å |
| 565 | K | 51.6 | Low | 60.3 | Low | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.609 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 177.4 | -75.1 | -172.5 | 171.3 | -159.9 | 0 | 113.5 | K561 L562 V563 | K561-K565 PolarHBondContact O-N 2.79Å; L562-K565 WeakPolarHBondContact O-CB 3.3Å; L562-K565 PolarHBondContact O-N 3.43Å; L562-K565 VanDerWaalsContact O-N 3.16Å; V563-K565 VanDerWaalsContact C-N 3.35Å; V563-K565 PolarHBondContact O-N 3.46Å |
| 566 | L | 49.3 | Very low | 58.5 | Low | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 179.4 | -81.2 | 178.7 | 0 | 0 | 0 | 112.8 | L414 A460 V462 V477 K479 L562 V563 Q569 | L414-L566 HydrophobicContact CD2-CD1 4.4Å; A460-L566 HydrophobicContact CB-CD2 3.99Å; V462-L566 HydrophobicContact CG2-CD1 4.45Å; V462-L566 HydrophobicContact CG2-CD2 4.31Å; V462-L566 HydrophobicContact CG2-CG 4.49Å; V477-L566 HydrophobicContact CG1-CD1 4.36Å; K479-L566 HydrophobicContact CB-CD1 4.49Å; L562-L566 HydrophobicContact CD2-CD1 3.45Å; L562-L566 VanDerWaalsContact CD2-CD1 3.45Å; L562-L566 HydrophobicContact CD2-CG 4Å; L562-L566 PolarHBondContact O-N 3.48Å; V563-L566 PolarHBondContact O-N 2.91Å; L566-Q569 PolarHBondContact O-N 3.09Å |
| 567 | F | 46.2 | Very low | 56.8 | Low | 56 Ų | 56 | 72.4 Ų | 72.4 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.2 | -34.8 | 178.1 | -89.6 | -76.1 | 0 | 0 | 0 | 113.1 | L414 V563 Q569 F570 C571 | L414-F567 HydrophobicContact CD1-CE2 4.04Å; L414-F567 HydrophobicContact CG-CE2 4.44Å; V563-F567 HydrophobicContact CG1-CD2 3.6Å; V563-F567 HydrophobicContact CG1-CE2 3.8Å; V563-F567 PolarHBondContact O-N 3.35Å; F567-Q569 PolarHBondContact O-N 2.75Å; F567-F570 PolarHBondContact O-N 3.41Å; F567-C571 PolarHBondContact O-SG 3.03Å |
| 568 | Q | 43.1 | Very low | 55.2 | Low | 46 Ų | 46 | 68.6 Ų | 68.6 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.4 | -25 | 169.6 | -78.7 | -165.3 | -92.6 | 0 | 0 | 113.4 | C564 A702 E705 | C564-Q568 WeakPolarHBondContact O-CG 3.42Å; C564-Q568 PolarHBondContact O-N 3.14Å; Q568-A702 HydrophobicContact CG-CB 3.79Å; Q568-A702 VanDerWaalsContact NE2-N 3.16Å; Q568-A702 VanDerWaalsContact OE1-CB 3.31Å; Q568-E705 VanDerWaalsContact NE2-CD 3.33Å; Q568-E705 PolarHBondContact NE2-OE2 3.3Å |
| 569 | Q | 40.7 | Very low | 53.5 | Low | 108 Ų | 108 | 70.2 Ų | 70.2 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12 | -174.7 | -118.3 | 179.7 | 1.9 | 0 | 0 | 115.6 | L566 F567 Q573 | L566-Q569 PolarHBondContact O-N 3.09Å; F567-Q569 PolarHBondContact O-N 2.75Å; Q569-Q573 WeakPolarHBondContact O-CG 3.23Å; Q569-Q573 PolarHBondContact O-NE2 2.84Å |
| 570 | F | 41.3 | Very low | 51.6 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -11.2 | -172.5 | -80.2 | -80.8 | 0 | 0 | 0 | 116.4 | A459 K479 F567 | A459-F570 HydrophobicContact CB-CZ 4.37Å; K479-F570 HydrophobicContact CD-CD2 4.06Å; K479-F570 HydrophobicContact CD-CE2 4.11Å; K479-F570 VanDerWaalsContact CE-CD2 3.47Å; F567-F570 PolarHBondContact O-N 3.41Å |
| 571 | C | 44.5 | Very low | 50.1 | Low | 28 Ų | 28 | 77.5 Ų | 77.5 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 137.8 | 161 | 43 | 0 | 0 | 0 | 0 | 109.4 | F567 Q573 C699 | F567-C571 PolarHBondContact O-SG 3.03Å; C571-Q573 VanDerWaalsContact C-N 3.31Å; C571-Q573 PolarHBondContact O-N 2.89Å; C571-C699 HydrophobicContact CB-CB 3.42Å; C571-C699 VanDerWaalsContact CB-CB 3.42Å; C571-C699 WeakPolarHBondContact CB-SG 3.46Å; C571-C699 WeakPolarHBondContact SG-CB 3.24Å; C571-C699 CovalentContact SG-SG 2Å; C571-C699 PolarHBondContact SG-SG 3.44Å |
| 572 | G | 46.8 | Very low | 48.7 | Very low | 26 Ų | 26 | 80.6 Ų | 80.6 | 27% | 0.268 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 8.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | P574 W603 G697 | G572-P574 WeakPolarHBondContact O-CD 3.48Å; G572-W603 WeakPolarHBondContact O-CH2 3.29Å; G572-W603 WeakPolarHBondContact O-CZ3 3.25Å; G572-G697 PolarHBondContact N-O 3.08Å |
| 573 | Q | 49.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 87 Ų | 87 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | trans | -94.5 | 105.9 | 168.5 | -75.3 | -157.3 | 3.9 | 0 | 0 | 111.2 | Q569 C571 Q696 | Q569-Q573 WeakPolarHBondContact O-CG 3.23Å; Q569-Q573 PolarHBondContact O-NE2 2.84Å; C571-Q573 VanDerWaalsContact C-N 3.31Å; C571-Q573 PolarHBondContact O-N 2.89Å; Q573-Q696 PolarHBondContact O-OE1 2.99Å; Q573-Q696 VanDerWaalsContact O-OE1 3.13Å | ||
| 574 | P | 51.7 | Low | 45.8 | Very low | 28 Ų | 28 | 94 Ų | 94 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | trans | -75.6 | 140.9 | -179.9 | 31.4 | -31.5 | 0 | 0 | 0 | 110.7 | G572 F576 S600 P602 W603 | G572-P574 WeakPolarHBondContact O-CD 3.48Å; P574-F576 PolarHBondContact O-N 2.61Å; P574-F576 VanDerWaalsContact O-N 3.12Å; P574-S600 WeakPolarHBondContact CB-O 3.41Å; P574-P602 HydrophobicContact CB-CG 4.2Å; P574-W603 HydrophobicContact CB-CH2 4.04Å; P574-W603 HydrophobicContact CB-CZ3 4.01Å; P574-W603 HydrophobicContact CG-CH2 3.9Å; P574-W603 HydrophobicContact CG-CZ3 4.27Å | ||
| 575 | V | 53.6 | Low | 44.8 | Very low | 80 Ų | 80 | 101.5 Ų | 101.5 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -56.3 | -31.7 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | A693 | V575-A693 HydrophobicContact CG2-CB 4.11Š|
| 576 | F | 51.5 | Low | 43.9 | Very low | 105 Ų | 105 | 100 Ų | 100 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -113.9 | 118.9 | 170.9 | -57.8 | -77.6 | 0 | 0 | 0 | 109.8 | P574 H599 | P574-F576 PolarHBondContact O-N 2.61Å; P574-F576 VanDerWaalsContact O-N 3.12Å; F576-H599 HydrophobicContact CD2-CB 4.27Å; F576-H599 HydrophobicContact CE2-CB 4.46Å |
| 577 | K | 50.2 | Low | 43.3 | Very low | 186 Ų | 186 | 102.5 Ų | 102.5 | 81% | 0.809 | 53% | 0.534 | S | S | * | . | trans | -54 | 128 | 175.1 | -75.4 | -174.5 | 175.2 | -177.8 | 0 | 110.4 | ||||
| 578 | P | 45.1 | Very low | 42.5 | Very low | 48 Ų | 48 | 106.8 Ų | 106.8 | 31% | 0.312 | 56% | 0.56 | S | S | . | * | trans | -63.7 | 142.7 | 175.9 | 26.3 | -34.4 | 0 | 0 | 0 | 110.2 | L580 | P578-L580 PolarHBondContact O-N 3.18Š| ||
| 579 | I | 46.8 | Very low | 42.4 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 57% | 0.569 | 59% | 0.594 | S | S | * | * | trans | -75.3 | 110.2 | 173.1 | -55.6 | 176.3 | 0 | 0 | 0 | 107.7 | S581 R597 | I579-S581 PolarHBondContact O-N 2.98Å; I579-R597 HydrophobicContact CD1-CG 4.32Å | ||
| 580 | L | 42.8 | Very low | 42.8 | Very low | 155 Ų | 155 | 118 Ų | 118 | 81% | 0.812 | 60% | 0.604 | S | S | * | * | trans | -84.6 | 96 | 163.2 | -66 | 167.3 | 0 | 0 | 0 | 107.8 | P578 K582 | P578-L580 PolarHBondContact O-N 3.18Å; L580-K582 PolarHBondContact O-N 3.27Å | ||
| 581 | S | 43.8 | Very low | 42.6 | Very low | 63 Ų | 63 | 117.3 Ų | 117.3 | 44% | 0.441 | 61% | 0.611 | S | S | . | * | trans | -68 | 125.6 | 170 | 59.2 | 0 | 0 | 0 | 0 | 108.9 | I579 Q583 I594 | I579-S581 PolarHBondContact O-N 2.98Å; S581-Q583 WeakPolarHBondContact CB-O 3.22Å; S581-Q583 PolarHBondContact O-N 3.34Å; S581-Q583 VanDerWaalsContact O-N 3.11Å; S581-Q583 PolarHBondContact OG-O 3.02Å; S581-I594 WeakPolarHBondContact OG-CD1 3.36Å | ||
| 582 | K | 38.9 | Very low | 42.7 | Very low | 215 Ų | 215 | 123.8 Ų | 123.8 | 94% | 0.935 | 64% | 0.644 | S | S | * | * | trans | -79.6 | 18 | -179.6 | -79.9 | -170.2 | 169.2 | -172.9 | 0 | 113.9 | L580 | L580-K582 PolarHBondContact O-N 3.27Š| ||
| 583 | Q | 37.2 | Very low | 43 | Very low | 148 Ų | 148 | 124.9 Ų | 124.9 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | trans | -143.8 | 134 | -179.9 | -72.5 | 166.1 | -37.4 | 0 | 0 | 104.3 | S581 | S581-Q583 WeakPolarHBondContact CB-O 3.22Å; S581-Q583 PolarHBondContact O-N 3.34Å; S581-Q583 VanDerWaalsContact O-N 3.11Å; S581-Q583 PolarHBondContact OG-O 3.02Å | ||
| 584 | D | 33 | Very low | 43.6 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 66% | 0.664 | S | S | * | * | cis | -140.5 | 178.7 | 19.8 | -99.8 | -52.8 | 0 | 0 | 0 | 115.1 | ||||
| 585 | R | 32.7 | Very low | 44.2 | Very low | 234 Ų | 234 | 132.3 Ų | 132.3 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | trans | -72.9 | 145.7 | -177.3 | -63 | 164.1 | 173.1 | 165.1 | -3.9 | 113.1 | ||||
| 586 | A | 33 | Very low | 44.7 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 89% | 0.893 | 68% | 0.682 | S | S | * | * | trans | 46.3 | 104.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 587 | G | 36.1 | Very low | 45.5 | Very low | 62 Ų | 62 | 132.6 Ų | 132.6 | 64% | 0.639 | 69% | 0.688 | S | S | * | * | trans | 144.5 | 105.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 588 | N | 30.8 | Very low | 46.4 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | trans | 48.5 | 127.3 | 157.1 | -62.7 | -10 | 0 | 0 | 0 | 121.3 | I590 S591 | N588-I590 WeakPolarHBondContact O-CA 3.4Å; N588-S591 PolarHBondContact O-N 2.8Å | ||
| 589 | R | 40.2 | Very low | 47.4 | Very low | 249 Ų | 249 | 127.7 Ų | 127.7 | 94% | 0.94 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 92.4 | -176 | -176.8 | -166.8 | -162.5 | -170.8 | 7 | 110 | ||
| 590 | I | 49.5 | Very low | 48.5 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 72% | 0.718 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -143.4 | 114.9 | 15.9 | -61.8 | -179.8 | 0 | 0 | 0 | 110.7 | N588 G593 | N588-I590 WeakPolarHBondContact O-CA 3.4Å; I590-G593 VanDerWaalsContact CG2-CA 3.42Å; I590-G593 VanDerWaalsContact CG2-N 3.32Å |
| 591 | S | 37.3 | Very low | 50 | Low | 78 Ų | 78 | 118.5 Ų | 118.5 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -113.3 | 148.7 | 140.8 | 55.7 | 0 | 0 | 0 | 0 | 107.5 | N588 G593 | N588-S591 PolarHBondContact O-N 2.8Å; S591-G593 VanDerWaalsContact C-N 3.31Å; S591-G593 PolarHBondContact O-N 3.05Å |
| 592 | N | 45.9 | Very low | 51.6 | Low | 164 Ų | 164 | 115.7 Ų | 115.7 | 88% | 0.877 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 62.9 | 25.3 | -175 | -49 | -31.3 | 0 | 0 | 0 | 116 | ||
| 593 | G | 53.1 | Low | 53.6 | Low | 49 Ų | 49 | 107.3 Ų | 107.3 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -68 | 140.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I590 S591 | I590-G593 VanDerWaalsContact CG2-CA 3.42Å; I590-G593 VanDerWaalsContact CG2-N 3.32Å; S591-G593 VanDerWaalsContact C-N 3.31Å; S591-G593 PolarHBondContact O-N 3.05Å |
| 594 | I | 62.3 | Low | 55.8 | Low | 131 Ų | 131 | 105.5 Ų | 105.5 | 67% | 0.672 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 137 | 174.1 | -55.4 | 174.8 | 0 | 0 | 0 | 108.7 | S581 A596 | S581-I594 WeakPolarHBondContact OG-CD1 3.36Å; I594-A596 PolarHBondContact O-N 3.27Å |
| 595 | E | 63.7 | Low | 58.3 | Low | 157 Ų | 157 | 98.7 Ų | 98.7 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 119.5 | 171 | -171.6 | 177 | 178.5 | 0 | 0 | 110 | H649 | E595-H649 IonicContact OE1-NE2 2.77Š|
| 596 | A | 65.3 | Low | 60.9 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 148.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I594 K598 H649 | I594-A596 PolarHBondContact O-N 3.27Å; A596-K598 PolarHBondContact O-N 3.32Å; A596-H649 PolarHBondContact O-CE1 2.58Å |
| 597 | R | 68.3 | Low | 63.5 | Low | 154 Ų | 154 | 84.8 Ų | 84.8 | 58% | 0.581 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 138.6 | 170.1 | -77.5 | -173 | 175.1 | 174.3 | 5 | 109.7 | I579 H599 S600 | I579-R597 HydrophobicContact CD1-CG 4.32Å; R597-H599 PolarHBondContact O-N 3.12Å; R597-S600 PolarHBondContact N-OG 2.97Å; R597-S600 VanDerWaalsContact O-CB 3.24Å; R597-S600 WeakPolarHBondContact O-CB 3.15Å; R597-S600 PolarHBondContact O-N 3.4Å; R597-S600 PolarHBondContact O-OG 2.92Å |
| 598 | K | 69 | Low | 65.9 | Low | 99 Ų | 99 | 82.6 Ų | 82.6 | 43% | 0.43 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 126.3 | 172 | -161.6 | -173.7 | -171.4 | -156.3 | 0 | 110.7 | A596 S600 H649 | A596-K598 PolarHBondContact O-N 3.32Å; K598-S600 VanDerWaalsContact C-N 3.28Å; K598-S600 PolarHBondContact O-N 2.81Å; K598-H649 VanDerWaalsContact CB-CD2 3.41Å; K598-H649 WeakPolarHBondContact CB-CD2 3.34Å; K598-H649 HydrophobicContact CG-CB 3.97Å; K598-H649 WeakPolarHBondContact CG-CD2 3.44Å; K598-H649 PolarHBondContact N-NE2 2.82Å |
| 599 | H | 65.7 | Low | 68.6 | Low | 32 Ų | 32 | 77 Ų | 77 | 15% | 0.148 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.5 | -178 | -39.1 | -64.7 | 0 | 0 | 0 | 116.8 | F576 R597 H601 E694 | F576-H599 HydrophobicContact CD2-CB 4.27Å; F576-H599 HydrophobicContact CE2-CB 4.46Å; R597-H599 PolarHBondContact O-N 3.12Å; H599-H601 VanDerWaalsContact C-N 3.32Å; H599-E694 VanDerWaalsContact CE1-CG 3.47Å; H599-E694 WeakPolarHBondContact CE1-CG 3.39Å; H599-E694 IonicContact CE1-OE1 3.78Å; H599-E694 PolarHBondContact CE1-OE1 3.39Å; H599-E694 WeakPolarHBondContact ND1-CB 3.17Å; H599-E694 WeakPolarHBondContact ND1-CG 3.48Å; H599-E694 IonicContact ND1-OE1 2.63Å; H599-E694 IonicContact NE2-OE1 2.7Å; H599-E694 PolarHBondContact NE2-OE1 2.78Å |
| 600 | S | 70 | Confident | 70.6 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -77 | -14.5 | 173.4 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | P574 R597 K598 | P574-S600 WeakPolarHBondContact CB-O 3.41Å; R597-S600 PolarHBondContact N-OG 2.97Å; R597-S600 VanDerWaalsContact O-CB 3.24Å; R597-S600 WeakPolarHBondContact O-CB 3.15Å; R597-S600 PolarHBondContact O-N 3.4Å; R597-S600 PolarHBondContact O-OG 2.92Å; K598-S600 VanDerWaalsContact C-N 3.28Å; K598-S600 PolarHBondContact O-N 2.81Å |
| 601 | H | 75.3 | Confident | 72 | Confident | 69 Ų | 69 | 66 Ų | 66 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -132.8 | 68.1 | 177.6 | -63.6 | 81.6 | 0 | 0 | 0 | 109.7 | H599 W603 Q604 | H599-H601 VanDerWaalsContact C-N 3.32Å; H601-W603 PolarHBondContact O-N 2.97Å; H601-W603 VanDerWaalsContact O-N 3.11Å; H601-Q604 HydrophobicContact CB-CB 4.38Å; H601-Q604 WeakPolarHBondContact O-CB 3.15Å; H601-Q604 PolarHBondContact O-N 3.42Å |
| 602 | P | 75.4 | Confident | 73.9 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.032 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -9.2 | -170.7 | 28.5 | -35.5 | 0 | 0 | 0 | 114.6 | P574 I695 Q696 | P574-P602 HydrophobicContact CB-CG 4.2Å; P602-I695 WeakPolarHBondContact O-CA 3.22Å; P602-Q696 CarbonylContact C-O 3.38Å; P602-Q696 HydrophobicContact CB-CB 3.92Å; P602-Q696 HydrophobicContact CB-CG 3.98Å; P602-Q696 HydrophobicContact CG-CB 3.87Å; P602-Q696 HydrophobicContact CG-CG 4.03Å; P602-Q696 VanDerWaalsContact CG-OE1 3.31Å; P602-Q696 PolarHBondContact O-N 3.25Å |
| 603 | W | 81.4 | Confident | 75.5 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 15% | 0.148 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.9 | 169.4 | 50.6 | 85 | 0 | 0 | 0 | 113.8 | G572 P574 H601 A605 S621 L622 Q696 I698 | G572-W603 WeakPolarHBondContact O-CH2 3.29Å; G572-W603 WeakPolarHBondContact O-CZ3 3.25Å; P574-W603 HydrophobicContact CB-CH2 4.04Å; P574-W603 HydrophobicContact CB-CZ3 4.01Å; P574-W603 HydrophobicContact CG-CH2 3.9Å; P574-W603 HydrophobicContact CG-CZ3 4.27Å; H601-W603 PolarHBondContact O-N 2.97Å; H601-W603 VanDerWaalsContact O-N 3.11Å; W603-A605 PolarHBondContact O-N 2.81Å; W603-S621 CarbonylContact O-C 3.58Å; W603-S621 WeakPolarHBondContact O-CA 3.48Å; W603-L622 PolarHBondContact O-N 3.01Å; W603-Q696 WeakPolarHBondContact CA-O 3.27Å; W603-Q696 WeakPolarHBondContact CB-O 3.44Å; W603-Q696 PolarHBondContact N-O 2.78Å; W603-I698 HydrophobicContact CB-CB 4.12Å; W603-I698 HydrophobicContact CD2-CB 4.46Å; W603-I698 HydrophobicContact CG-CB 4.1Å |
| 604 | Q | 84.2 | Confident | 76.3 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 122.4 | -180 | -172.4 | 171.4 | -2.1 | 0 | 0 | 110.8 | H601 | H601-Q604 HydrophobicContact CB-CB 4.38Å; H601-Q604 WeakPolarHBondContact O-CB 3.15Å; H601-Q604 PolarHBondContact O-N 3.42Å |
| 605 | A | 85.4 | Confident | 77 | Confident | 6 Ų | 6 | 67 Ų | 67 | 5% | 0.05 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | W603 G620 V644 L646 | W603-A605 PolarHBondContact O-N 2.81Å; A605-G620 PolarHBondContact N-O 2.88Å; A605-G620 PolarHBondContact O-N 2.59Å; A605-V644 HydrophobicContact CB-CG1 3.99Å; A605-L646 HydrophobicContact CB-CD2 3.55Å |
| 606 | L | 87.5 | Confident | 77.8 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.5 | 170.7 | 179.4 | 76 | 0 | 0 | 0 | 108.2 | L608 I617 V644 R645 L651 | L606-L608 HydrophobicContact CD2-CD1 4.36Å; L606-L608 HydrophobicContact CD2-CD2 4.12Å; L606-L608 HydrophobicContact CD2-CG 4.27Å; L606-L608 HydrophobicContact CG-CD2 4.13Å; L606-L608 HydrophobicContact CG-CG 4.3Å; L606-I617 HydrophobicContact CD1-CG2 3.48Å; L606-I617 VanDerWaalsContact CD1-CG2 3.48Å; L606-V644 CarbonylContact O-C 3.44Å; L606-V644 WeakPolarHBondContact O-CA 3.31Å; L606-R645 HydrophobicContact CB-CB 4.24Å; L606-R645 HydrophobicContact CD2-CB 4.36Å; L606-R645 PolarHBondContact N-O 2.93Å; L606-R645 PolarHBondContact O-N 3.09Å; L606-L651 HydrophobicContact CD1-CD2 3.78Å; L606-L651 HydrophobicContact CD2-CD2 3.36Å; L606-L651 HydrophobicContact CG-CD2 4.21Å |
| 607 | I | 87.7 | Confident | 78.5 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.1 | 177 | -57.5 | 164.2 | 0 | 0 | 0 | 107.6 | I609 C618 V642 V644 L683 | I607-I609 HydrophobicContact CG2-CG1 4.4Å; I607-C618 HydrophobicContact CB-CB 4.04Å; I607-C618 HydrophobicContact CG2-CB 4.42Å; I607-C618 PolarHBondContact N-O 3.27Å; I607-C618 PolarHBondContact O-N 3.35Å; I607-V642 HydrophobicContact CG2-CG1 3.94Å; I607-V644 HydrophobicContact CG1-CG2 4.33Å; I607-L683 HydrophobicContact CD1-CD1 3.76Å; I607-L683 HydrophobicContact CG1-CD1 4.09Å; I607-L683 HydrophobicContact CG2-CD1 4.15Å |
| 608 | L | 86.5 | Confident | 79.1 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.9 | 178.2 | -61.1 | 176.3 | 0 | 0 | 0 | 108.1 | L606 I617 V643 | L606-L608 HydrophobicContact CD2-CD1 4.36Å; L606-L608 HydrophobicContact CD2-CD2 4.12Å; L606-L608 HydrophobicContact CD2-CG 4.27Å; L606-L608 HydrophobicContact CG-CD2 4.13Å; L606-L608 HydrophobicContact CG-CG 4.3Å; L608-I617 HydrophobicContact CD2-CB 4.45Å; L608-I617 HydrophobicContact CD2-CG1 3.86Å; L608-I617 HydrophobicContact CD2-CG2 4.34Å; L608-V643 HydrophobicContact CB-CB 4.39Å; L608-V643 PolarHBondContact N-O 3.29Å; L608-V643 PolarHBondContact O-N 3.33Å |
| 609 | I | 86.1 | Confident | 79.6 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 14% | 0.138 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 106.9 | 174.9 | -55.3 | 177.3 | 0 | 0 | 0 | 107 | I607 N611 P615 T616 V637 V642 | I607-I609 HydrophobicContact CG2-CG1 4.4Å; I609-N611 PolarHBondContact O-N 2.9Å; I609-P615 CarbonylContact O-C 3.6Å; I609-P615 WeakPolarHBondContact O-CA 3.17Å; I609-T616 PolarHBondContact N-O 3.25Å; I609-T616 PolarHBondContact O-N 3.34Å; I609-V637 HydrophobicContact CG2-CG1 3.69Å; I609-V642 HydrophobicContact CG1-CG2 4.46Å |
| 610 | M | 82.7 | Confident | 80.5 | Confident | 99 Ų | 99 | 59 Ų | 59 | 49% | 0.488 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 89.9 | -173.8 | -59.4 | -66.1 | -77.5 | 0 | 0 | 110.6 | P615 N641 V643 | M610-P615 HydrophobicContact SD-CB 3.98Å; M610-N641 HydrophobicContact CB-CB 4.19Å; M610-N641 WeakPolarHBondContact CB-O 3.45Å; M610-N641 WeakPolarHBondContact CG-O 3.08Å; M610-N641 PolarHBondContact N-O 3.07Å; M610-N641 PolarHBondContact O-ND2 3.4Å; M610-N641 VanDerWaalsContact O-ND2 3.09Å; M610-V643 HydrophobicContact CG-CG2 4.41Å |
| 611 | N | 79.2 | Confident | 81.2 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 32% | 0.316 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 155.3 | 176.3 | -63.7 | -37.1 | 0 | 0 | 0 | 111.2 | I609 E613 G614 T616 | I609-N611 PolarHBondContact O-N 2.9Å; N611-E613 PolarHBondContact O-N 2.6Å; N611-G614 WeakPolarHBondContact CB-O 3.41Å; N611-G614 CarbonylContact O-C 3.59Å; N611-G614 PolarHBondContact O-N 3Å; N611-T616 PolarHBondContact ND2-OG1 3.16Å |
| 612 | P | 77.7 | Confident | 81.6 | Confident | 138 Ų | 138 | 59.6 Ų | 59.6 | 90% | 0.896 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.9 | -178.7 | -24.5 | 34.7 | 0 | 0 | 0 | 114.3 | G614 | P612-G614 VanDerWaalsContact C-N 3.27Å; P612-G614 PolarHBondContact O-N 3.07Å |
| 613 | E | 78.8 | Confident | 81.5 | Confident | 204 Ų | 204 | 62.2 Ų | 62.2 | 95% | 0.953 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.1 | 178.8 | -59.6 | -179.5 | 174.4 | 0 | 0 | 113.2 | N611 | N611-E613 PolarHBondContact O-N 2.6Š|
| 614 | G | 69.5 | Low | 80.7 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.6 | 159.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N611 P612 T616 | N611-G614 WeakPolarHBondContact CB-O 3.41Å; N611-G614 CarbonylContact O-C 3.59Å; N611-G614 PolarHBondContact O-N 3Å; P612-G614 VanDerWaalsContact C-N 3.27Å; P612-G614 PolarHBondContact O-N 3.07Å; G614-T616 PolarHBondContact O-N 2.86Å |
| 615 | P | 77.4 | Confident | 79.4 | Confident | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120.7 | 179.9 | 28.2 | -33.6 | 0 | 0 | 0 | 111.3 | I609 M610 | I609-P615 CarbonylContact O-C 3.6Å; I609-P615 WeakPolarHBondContact O-CA 3.17Å; M610-P615 HydrophobicContact SD-CB 3.98Å |
| 616 | T | 81.2 | Confident | 77.6 | Confident | 67 Ų | 67 | 69 Ų | 69 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 129.7 | 168.9 | -53.5 | 0 | 0 | 0 | 0 | 109 | I609 N611 G614 | I609-T616 PolarHBondContact N-O 3.25Å; I609-T616 PolarHBondContact O-N 3.34Å; N611-T616 PolarHBondContact ND2-OG1 3.16Å; G614-T616 PolarHBondContact O-N 2.86Å |
| 617 | I | 79.6 | Confident | 75.6 | Confident | 101 Ų | 101 | 72.6 Ų | 72.6 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.4 | -174.4 | -54.1 | -179.6 | 0 | 0 | 0 | 109.7 | L606 L608 | L606-I617 HydrophobicContact CD1-CG2 3.48Å; L606-I617 VanDerWaalsContact CD1-CG2 3.48Å; L608-I617 HydrophobicContact CD2-CB 4.45Å; L608-I617 HydrophobicContact CD2-CG1 3.86Å; L608-I617 HydrophobicContact CD2-CG2 4.34Å |
| 618 | C | 81.1 | Confident | 73.4 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 34% | 0.338 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | I607 | I607-C618 HydrophobicContact CB-CB 4.04Å; I607-C618 HydrophobicContact CG2-CB 4.42Å; I607-C618 PolarHBondContact N-O 3.27Å; I607-C618 PolarHBondContact O-N 3.35Å |
| 619 | G | 79.9 | Confident | 71.2 | Confident | 73 Ų | 73 | 80.1 Ų | 80.1 | 75% | 0.753 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 620 | G | 85 | Confident | 69 | Low | 19 Ų | 19 | 80.6 Ų | 80.6 | 20% | 0.196 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 169 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A605 | A605-G620 PolarHBondContact N-O 2.88Å; A605-G620 PolarHBondContact O-N 2.59Å |
| 621 | S | 84.2 | Confident | 67 | Low | 72 Ų | 72 | 79.4 Ų | 79.4 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 125.5 | 168.4 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | W603 M623 | W603-S621 CarbonylContact O-C 3.58Å; W603-S621 WeakPolarHBondContact O-CA 3.48Å; S621-M623 PolarHBondContact O-N 3.39Å |
| 622 | L | 83.7 | Confident | 65.1 | Low | 14 Ų | 14 | 86.4 Ų | 86.4 | 7% | 0.073 | 47% | 0.474 | C | S | . | . | trans | -67.6 | 122.6 | 171.5 | -178.2 | 64.7 | 0 | 0 | 0 | 108.9 | W603 L646 L685 V689 Y691 I695 G697 I698 | W603-L622 PolarHBondContact O-N 3.01Å; L622-L646 HydrophobicContact CB-CD2 4.32Å; L622-L646 HydrophobicContact CD1-CD1 4.23Å; L622-L646 HydrophobicContact CD1-CD2 4.47Å; L622-L646 HydrophobicContact CD2-CD1 4.06Å; L622-L646 HydrophobicContact CD2-CD2 4.36Å; L622-L685 HydrophobicContact CD1-CD1 4.01Å; L622-V689 HydrophobicContact CD1-CG2 4.03Å; L622-V689 HydrophobicContact CD2-CG1 4.06Å; L622-Y691 HydrophobicContact CD2-CD1 4.24Å; L622-Y691 HydrophobicContact CD2-CE1 3.67Å; L622-Y691 HydrophobicContact CG-CE1 4.22Å; L622-I695 HydrophobicContact CD2-CG2 3.55Å; L622-G697 CarbonylContact O-C 3.57Å; L622-G697 WeakPolarHBondContact O-CA 3.27Å; L622-I698 PolarHBondContact O-N 3.03Å | ||
| 623 | M | 73.8 | Confident | 63.7 | Low | 60 Ų | 60 | 81.2 Ų | 81.2 | 30% | 0.296 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 138.9 | -178.7 | -65.3 | 173.9 | 66.9 | 0 | 0 | 110.4 | S621 W625 L682 I698 L700 | S621-M623 PolarHBondContact O-N 3.39Å; M623-W625 PolarHBondContact O-N 2.84Å; M623-L682 HydrophobicContact SD-CD2 4.11Å; M623-I698 HydrophobicContact CG-CG2 3.89Å; M623-L700 HydrophobicContact CE-CD1 3.72Å; M623-L700 HydrophobicContact CE-CD2 3.62Å; M623-L700 HydrophobicContact CE-CG 3.62Å |
| 624 | H | 64.2 | Low | 62.2 | Low | 73 Ų | 73 | 82.1 Ų | 82.1 | 34% | 0.338 | 44% | 0.441 | S | S | . | . | trans | -80.4 | 98.6 | 171 | -172 | -97.9 | 0 | 0 | 0 | 109.8 | Y691 I698 | H624-Y691 AromaticContact CD2-CE2 3.61Å; H624-Y691 AromaticContact CD2-CZ 3.85Å; H624-I698 PolarHBondContact N-O 2.8Å | ||
| 625 | W | 57 | Low | 61.2 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 43% | 0.432 | 45% | 0.45 | S | S | . | . | trans | -120.1 | 137.2 | -176.2 | -171.7 | -93.4 | 0 | 0 | 0 | 110.9 | M623 H627 L700 I727 | M623-W625 PolarHBondContact O-N 2.84Å; W625-H627 PolarHBondContact NE1-O 2.84Å; W625-L700 HydrophobicContact CE3-CD1 4.08Å; W625-L700 HydrophobicContact CZ3-CD1 3.72Å; W625-I727 HydrophobicContact CZ2-CD1 4.2Å | ||
| 626 | K | 46.8 | Very low | 60.3 | Low | 111 Ų | 111 | 86.8 Ų | 86.8 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | trans | -127.1 | 17.6 | -170.3 | -144.3 | 177.1 | -173.3 | -73.5 | 0 | 114.8 | Q407 | Q407-K626 PolarHBondContact O-NZ 2.99Å; Q407-K626 VanDerWaalsContact OE1-CE 3.28Å | ||
| 627 | H | 45.2 | Very low | 59.6 | Low | 100 Ų | 100 | 85.8 Ų | 85.8 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | trans | -114.2 | 125.1 | 171.6 | -87.4 | -85.7 | 0 | 0 | 0 | 110.4 | W625 | W625-H627 PolarHBondContact NE1-O 2.84Š| ||
| 628 | E | 42.4 | Very low | 59.3 | Low | 147 Ų | 147 | 85.6 Ų | 85.6 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | trans | -81.2 | -18.2 | -177.5 | -62 | -160.3 | 118.5 | 0 | 0 | 114.3 | ||||
| 629 | N | 38.9 | Very low | 59.2 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 28% | 0.278 | 45% | 0.445 | S | S | . | . | trans | -109.2 | 76.6 | -164.2 | -52.8 | 1.2 | 0 | 0 | 0 | 113.4 | D728 S730 | N629-D728 HydrophobicContact CB-CB 3.99Å; N629-D728 PolarHBondContact O-N 3.1Å; N629-S730 VanDerWaalsContact ND2-CB 3.31Å; N629-S730 WeakPolarHBondContact ND2-CB 3.13Å; N629-S730 PolarHBondContact ND2-OG 3.12Å | ||
| 630 | A | 40.2 | Very low | 59.1 | Low | 37 Ų | 37 | 84.1 Ų | 84.1 | 31% | 0.306 | 43% | 0.428 | S | S | . | . | trans | -166.3 | 72.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F726 I727 | A630-F726 VanDerWaalsContact CB-O 3.31Å; A630-F726 WeakPolarHBondContact CB-O 3.28Å; A630-I727 HydrophobicContact CB-CG1 4.3Å | ||
| 631 | Y | 42 | Very low | 59.1 | Low | 73 Ų | 73 | 85.9 Ų | 85.9 | 29% | 0.286 | 43% | 0.433 | S | S | . | . | trans | -144.5 | 53.4 | -178.8 | -64.7 | -76.8 | 0 | 0 | 0 | 113.7 | A665 K684 | Y631-A665 HydrophobicContact CD1-CB 3.97Å; Y631-A665 HydrophobicContact CG-CB 4.16Å; Y631-K684 HydrophobicContact CD1-CB 3.86Å; Y631-K684 HydrophobicContact CD1-CD 4.39Å; Y631-K684 HydrophobicContact CD1-CG 4.49Å; Y631-K684 HydrophobicContact CD2-CD 3.67Å; Y631-K684 HydrophobicContact CD2-CG 4.38Å; Y631-K684 HydrophobicContact CE1-CB 3.51Å; Y631-K684 HydrophobicContact CE1-CD 4.35Å; Y631-K684 HydrophobicContact CE1-CG 4.06Å; Y631-K684 HydrophobicContact CE2-CB 4.29Å; Y631-K684 HydrophobicContact CE2-CD 3.6Å; Y631-K684 HydrophobicContact CE2-CG 3.92Å; Y631-K684 HydrophobicContact CG-CB 4.37Å; Y631-K684 HydrophobicContact CG-CD 4.06Å | ||
| 632 | E | 39.6 | Very low | 59.3 | Low | 207 Ų | 207 | 82.6 Ų | 82.6 | 97% | 0.967 | 41% | 0.41 | S | S | * | . | trans | -113.1 | 97.6 | 160.5 | -72.8 | -166.5 | 145.4 | 0 | 0 | 109.2 | ||||
| 633 | G | 46.5 | Very low | 59.5 | Low | 28 Ų | 28 | 82.5 Ų | 82.5 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | trans | -141.2 | 143.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | P635 | G633-P635 VanDerWaalsContact O-CD 3.31Å; G633-P635 WeakPolarHBondContact O-CD 3.15Å | ||
| 634 | Y | 48.3 | Very low | 60.3 | Low | 223 Ų | 223 | 79.9 Ų | 79.9 | 88% | 0.875 | 40% | 0.398 | S | S | * | . | trans | -71.8 | 118.4 | -178.8 | -71.1 | -84.8 | 0 | 0 | 0 | 110.4 | L636 | Y634-L636 PolarHBondContact O-N 2.93Å; Y634-L636 VanDerWaalsContact O-N 3.15Å | ||
| 635 | P | 48.5 | Very low | 61.5 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | trans | -77.1 | 106.8 | -177.8 | 30.2 | -33.3 | 0 | 0 | 0 | 110.7 | G633 V637 M666 | G633-P635 VanDerWaalsContact O-CD 3.31Å; G633-P635 WeakPolarHBondContact O-CD 3.15Å; P635-V637 PolarHBondContact O-N 2.81Å; P635-M666 HydrophobicContact CB-CE 4.15Å | ||
| 636 | L | 57.5 | Low | 63 | Low | 127 Ų | 127 | 75.6 Ų | 75.6 | 67% | 0.665 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -62.5 | -17.7 | 173 | -75.9 | 166.6 | 0 | 0 | 0 | 113.9 | Y634 L671 | Y634-L636 PolarHBondContact O-N 2.93Å; Y634-L636 VanDerWaalsContact O-N 3.15Å; L636-L671 HydrophobicContact CD1-CD1 3.36Å |
| 637 | V | 66.8 | Low | 64.5 | Low | 47 Ų | 47 | 70.7 Ų | 70.7 | 29% | 0.285 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -132.3 | 142.8 | 176.5 | -145.1 | 0 | 0 | 0 | 0 | 108.2 | I609 P635 I639 M666 | I609-V637 HydrophobicContact CG2-CG1 3.69Å; P635-V637 PolarHBondContact O-N 2.81Å; V637-I639 PolarHBondContact O-N 2.93Å; V637-M666 HydrophobicContact CG2-CE 4.41Å |
| 638 | N | 74.2 | Confident | 66.1 | Low | 97 Ų | 97 | 67.3 Ų | 67.3 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | trans | -58.6 | 111.5 | 178.4 | -177.9 | -11.3 | 0 | 0 | 0 | 110.1 | S640 N641 | N638-S640 VanDerWaalsContact CG-OG 3.22Å; N638-S640 PolarHBondContact ND2-OG 3.31Å; N638-S640 PolarHBondContact O-N 3.19Å; N638-S640 VanDerWaalsContact O-N 3.09Å; N638-S640 PolarHBondContact OD1-N 3.09Å; N638-S640 VanDerWaalsContact OD1-N 3.16Å; N638-S640 PolarHBondContact OD1-OG 2.96Å; N638-N641 WeakPolarHBondContact O-CB 3.11Å; N638-N641 PolarHBondContact O-N 3.45Å | ||
| 639 | I | 79 | Confident | 67.6 | Low | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.179 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -58 | -29.7 | -172.6 | -164.4 | 60.5 | 0 | 0 | 0 | 112.8 | V637 N641 V642 A663 M666 L683 | V637-I639 PolarHBondContact O-N 2.93Å; I639-N641 PolarHBondContact O-N 2.82Å; I639-V642 HydrophobicContact CD1-CB 4.28Å; I639-V642 HydrophobicContact CD1-CG2 4.26Å; I639-V642 WeakPolarHBondContact O-CB 3.09Å; I639-V642 PolarHBondContact O-N 2.79Å; I639-A663 HydrophobicContact CD1-CB 3.6Å; I639-A663 HydrophobicContact CG1-CB 4.18Å; I639-M666 HydrophobicContact CD1-CB 3.68Å; I639-L683 HydrophobicContact CD1-CD2 4.26Å |
| 640 | S | 78.6 | Confident | 69.1 | Low | 57 Ų | 57 | 63.8 Ų | 63.8 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -64.3 | -17.4 | 176.6 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | N638 R662 | N638-S640 VanDerWaalsContact CG-OG 3.22Å; N638-S640 PolarHBondContact ND2-OG 3.31Å; N638-S640 PolarHBondContact O-N 3.19Å; N638-S640 VanDerWaalsContact O-N 3.09Å; N638-S640 PolarHBondContact OD1-N 3.09Å; N638-S640 VanDerWaalsContact OD1-N 3.16Å; N638-S640 PolarHBondContact OD1-OG 2.96Å; S640-R662 PolarHBondContact O-NH1 3.48Å |
| 641 | N | 84.9 | Confident | 70.4 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -90.8 | -5.4 | 173.9 | -68 | -0.3 | 0 | 0 | 0 | 113 | M610 N638 I639 | M610-N641 HydrophobicContact CB-CB 4.19Å; M610-N641 WeakPolarHBondContact CB-O 3.45Å; M610-N641 WeakPolarHBondContact CG-O 3.08Å; M610-N641 PolarHBondContact N-O 3.07Å; M610-N641 PolarHBondContact O-ND2 3.4Å; M610-N641 VanDerWaalsContact O-ND2 3.09Å; N638-N641 WeakPolarHBondContact O-CB 3.11Å; N638-N641 PolarHBondContact O-N 3.45Å; I639-N641 PolarHBondContact O-N 2.82Å |
| 642 | V | 87.3 | Confident | 71.6 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 114.8 | -176.1 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | I607 I609 I639 A663 L683 | I607-V642 HydrophobicContact CG2-CG1 3.94Å; I609-V642 HydrophobicContact CG1-CG2 4.46Å; I639-V642 HydrophobicContact CD1-CB 4.28Å; I639-V642 HydrophobicContact CD1-CG2 4.26Å; I639-V642 WeakPolarHBondContact O-CB 3.09Å; I639-V642 PolarHBondContact O-N 2.79Å; V642-A663 HydrophobicContact CB-CB 4.07Å; V642-A663 HydrophobicContact CG1-CB 3.9Å; V642-A663 PolarHBondContact O-N 3.3Å; V642-L683 HydrophobicContact CG1-CD1 4.14Å; V642-L683 HydrophobicContact CG1-CD2 4.32Å |
| 643 | V | 88.6 | Confident | 72.7 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.9 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | L608 M610 E660 | L608-V643 HydrophobicContact CB-CB 4.39Å; L608-V643 PolarHBondContact N-O 3.29Å; L608-V643 PolarHBondContact O-N 3.33Å; M610-V643 HydrophobicContact CG-CG2 4.41Å; V643-E660 HydrophobicContact CG1-CG 3.32Å |
| 644 | V | 90.4 | Very high | 73.1 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.5 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | A605 L606 I607 L646 E660 L661 L683 L685 | A605-V644 HydrophobicContact CB-CG1 3.99Å; L606-V644 CarbonylContact O-C 3.44Å; L606-V644 WeakPolarHBondContact O-CA 3.31Å; I607-V644 HydrophobicContact CG1-CG2 4.33Å; V644-L646 HydrophobicContact CG1-CD2 4.04Å; V644-L646 HydrophobicContact CG1-CG 4.47Å; V644-E660 WeakPolarHBondContact O-CA 3.23Å; V644-L661 PolarHBondContact N-O 2.87Å; V644-L661 PolarHBondContact O-N 3.05Å; V644-L683 HydrophobicContact CG2-CD1 4.08Å; V644-L685 HydrophobicContact CB-CD2 3.8Å; V644-L685 HydrophobicContact CG1-CD2 4.11Å; V644-L685 HydrophobicContact CG2-CD2 3.71Å |
| 645 | R | 89.4 | Confident | 73.7 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 129.4 | 173 | -65.5 | -179.9 | 171 | 164.1 | 1.3 | 110.6 | L606 V648 T658 K659 E660 | L606-R645 HydrophobicContact CB-CB 4.24Å; L606-R645 HydrophobicContact CD2-CB 4.36Å; L606-R645 PolarHBondContact N-O 2.93Å; L606-R645 PolarHBondContact O-N 3.09Å; R645-V648 HydrophobicContact CB-CG2 3.65Å; R645-T658 HydrophobicContact CB-CG2 4.49Å; R645-K659 CarbonylContact C-O 3.5Å; R645-K659 WeakPolarHBondContact CA-O 3.45Å; R645-E660 HydrophobicContact CG-CB 4.21Å; R645-E660 HydrophobicContact CG-CG 4.01Å; R645-E660 IonicContact CZ-OE2 3.13Å; R645-E660 IonicContact NE-OE2 2.67Å; R645-E660 PolarHBondContact NE-OE2 3.09Å; R645-E660 IonicContact NH2-OE2 2.94Å; R645-E660 PolarHBondContact NH2-OE2 3.39Å |
| 646 | L | 87.6 | Confident | 74.2 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.2 | -179.7 | -57.5 | 177.2 | 0 | 0 | 0 | 110.1 | A605 L622 V644 V648 T658 K659 L661 L685 V689 I695 | A605-L646 HydrophobicContact CB-CD2 3.55Å; L622-L646 HydrophobicContact CB-CD2 4.32Å; L622-L646 HydrophobicContact CD1-CD1 4.23Å; L622-L646 HydrophobicContact CD1-CD2 4.47Å; L622-L646 HydrophobicContact CD2-CD1 4.06Å; L622-L646 HydrophobicContact CD2-CD2 4.36Å; V644-L646 HydrophobicContact CG1-CD2 4.04Å; V644-L646 HydrophobicContact CG1-CG 4.47Å; L646-V648 VanDerWaalsContact C-N 3.26Å; L646-V648 PolarHBondContact O-N 2.83Å; L646-T658 WeakPolarHBondContact O-CA 3.48Å; L646-K659 HydrophobicContact CB-CB 4.45Å; L646-K659 PolarHBondContact N-O 3.24Å; L646-K659 PolarHBondContact O-N 3.11Å; L646-L661 HydrophobicContact CD1-CD1 3.62Å; L646-L661 HydrophobicContact CG-CD1 4.43Å; L646-L685 HydrophobicContact CD1-CD1 4.45Å; L646-V689 HydrophobicContact CD1-CB 4.35Å; L646-V689 HydrophobicContact CD1-CG1 3.68Å; L646-V689 HydrophobicContact CD1-CG2 3.67Å; L646-I695 HydrophobicContact CB-CD1 3.89Å; L646-I695 HydrophobicContact CB-CG1 4.15Å; L646-I695 HydrophobicContact CB-CG2 4.06Å; L646-I695 HydrophobicContact CD1-CG2 4.13Å |
| 647 | G | 79 | Confident | 74.3 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 77.4 | 4.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H649 | G647-H649 PolarHBondContact O-N 3.18Š|
| 648 | V | 79.2 | Confident | 74.6 | Confident | 29 Ų | 29 | 62 Ų | 62 | 18% | 0.176 | 34% | 0.34 | C | S | . | . | trans | -72.1 | 125.7 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | R645 L646 L651 T658 | R645-V648 HydrophobicContact CB-CG2 3.65Å; L646-V648 VanDerWaalsContact C-N 3.26Å; L646-V648 PolarHBondContact O-N 2.83Å; V648-L651 HydrophobicContact CG1-CD2 4.22Å; V648-T658 HydrophobicContact CG2-CG2 3.56Å | ||
| 649 | H | 72.7 | Confident | 74.9 | Confident | 67 Ų | 67 | 61 Ų | 61 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -108.5 | -46.1 | 171.6 | 178.5 | 39.3 | 0 | 0 | 0 | 112.4 | E595 A596 K598 G647 | E595-H649 IonicContact OE1-NE2 2.77Å; A596-H649 PolarHBondContact O-CE1 2.58Å; K598-H649 VanDerWaalsContact CB-CD2 3.41Å; K598-H649 WeakPolarHBondContact CB-CD2 3.34Å; K598-H649 HydrophobicContact CG-CB 3.97Å; K598-H649 WeakPolarHBondContact CG-CD2 3.44Å; K598-H649 PolarHBondContact N-NE2 2.82Å; G647-H649 PolarHBondContact O-N 3.18Å |
| 650 | D | 71.2 | Confident | 75.3 | Confident | 59 Ų | 59 | 64 Ų | 64 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | trans | -112.1 | 125.6 | 174.2 | 174.1 | 13.3 | 0 | 0 | 0 | 109.1 | K652 Q653 | D650-K652 PolarHBondContact O-N 3.2Å; D650-K652 WeakPolarHBondContact OD1-CB 3.49Å; D650-K652 PolarHBondContact OD1-N 2.04Å; D650-Q653 HydrophobicContact CB-CB 4.26Å; D650-Q653 PolarHBondContact O-N 3.18Å; D650-Q653 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 651 | L | 68 | Low | 75.8 | Confident | 116 Ų | 116 | 61.5 Ų | 61.5 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.6 | 177.2 | -68.2 | 172.5 | 0 | 0 | 0 | 113 | L606 V648 | L606-L651 HydrophobicContact CD1-CD2 3.78Å; L606-L651 HydrophobicContact CD2-CD2 3.36Å; L606-L651 HydrophobicContact CG-CD2 4.21Å; V648-L651 HydrophobicContact CG1-CD2 4.22Å |
| 652 | K | 66.6 | Low | 75.9 | Confident | 193 Ų | 193 | 65.3 Ų | 65.3 | 84% | 0.839 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -17.3 | 177.5 | -59.5 | 177.8 | -178.1 | 175.4 | 0 | 113.2 | D650 | D650-K652 PolarHBondContact O-N 3.2Å; D650-K652 WeakPolarHBondContact OD1-CB 3.49Å; D650-K652 PolarHBondContact OD1-N 2.04Å |
| 653 | Q | 62 | Low | 75.7 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | trans | -118.9 | 102.9 | 179.2 | -73 | -169.9 | 7.5 | 0 | 0 | 112.4 | D650 T655 | D650-Q653 HydrophobicContact CB-CB 4.26Å; D650-Q653 PolarHBondContact O-N 3.18Å; D650-Q653 WeakPolarHBondContact OD2-CG 3.4Å; Q653-T655 PolarHBondContact O-N 2.89Å | ||
| 654 | S | 54.8 | Low | 75.4 | Confident | 114 Ų | 114 | 68.4 Ų | 68.4 | 80% | 0.797 | 36% | 0.357 | S | S | * | . | trans | -63.9 | 126.9 | 159.3 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 655 | T | 61.7 | Low | 74.7 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | trans | -111.7 | 158.8 | 173 | 69.6 | 0 | 0 | 0 | 0 | 109.7 | Q653 A657 T658 | Q653-T655 PolarHBondContact O-N 2.89Å; T655-A657 PolarHBondContact O-N 3.19Å; T655-T658 PolarHBondContact N-OG1 2.88Å; T655-T658 WeakPolarHBondContact O-CB 3.48Å; T655-T658 PolarHBondContact O-N 2.88Å; T655-T658 PolarHBondContact O-OG1 3.03Å; T655-T658 PolarHBondContact OG1-OG1 2.76Å | ||
| 656 | S | 58 | Low | 73.9 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 97% | 0.972 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.2 | 176.9 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 657 | A | 61.3 | Low | 73 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -21.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | T655 K659 E694 | T655-A657 PolarHBondContact O-N 3.19Å; A657-K659 PolarHBondContact O-N 2.83Å; A657-E694 VanDerWaalsContact CB-CD 3.44Å; A657-E694 WeakPolarHBondContact CB-OE1 3.46Å; A657-E694 WeakPolarHBondContact CB-OE2 3.27Å |
| 658 | T | 72.4 | Confident | 72.1 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 117.8 | -174.4 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | R645 L646 V648 T655 | R645-T658 HydrophobicContact CB-CG2 4.49Å; L646-T658 WeakPolarHBondContact O-CA 3.48Å; V648-T658 HydrophobicContact CG2-CG2 3.56Å; T655-T658 PolarHBondContact N-OG1 2.88Å; T655-T658 WeakPolarHBondContact O-CB 3.48Å; T655-T658 PolarHBondContact O-N 2.88Å; T655-T658 PolarHBondContact O-OG1 3.03Å; T655-T658 PolarHBondContact OG1-OG1 2.76Å |
| 659 | K | 80.1 | Confident | 71 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 34% | 0.335 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.1 | 173.1 | -85.3 | -169.5 | 167.8 | -168.7 | 0 | 110.9 | R645 L646 A657 T690 I695 | R645-K659 CarbonylContact C-O 3.5Å; R645-K659 WeakPolarHBondContact CA-O 3.45Å; L646-K659 HydrophobicContact CB-CB 4.45Å; L646-K659 PolarHBondContact N-O 3.24Å; L646-K659 PolarHBondContact O-N 3.11Å; A657-K659 PolarHBondContact O-N 2.83Å; K659-T690 PolarHBondContact NZ-OG1 2.91Å; K659-I695 HydrophobicContact CB-CD1 4.08Å; K659-I695 HydrophobicContact CD-CD1 4.38Å; K659-I695 HydrophobicContact CG-CD1 4.27Å |
| 660 | E | 87.6 | Confident | 69.9 | Low | 98 Ų | 98 | 74.3 Ų | 74.3 | 46% | 0.458 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.8 | 168.6 | -169.2 | 171.4 | 118.1 | 0 | 0 | 110.1 | V643 V644 R645 | V643-E660 HydrophobicContact CG1-CG 3.32Å; V644-E660 WeakPolarHBondContact O-CA 3.23Å; R645-E660 HydrophobicContact CG-CB 4.21Å; R645-E660 HydrophobicContact CG-CG 4.01Å; R645-E660 IonicContact CZ-OE2 3.13Å; R645-E660 IonicContact NE-OE2 2.67Å; R645-E660 PolarHBondContact NE-OE2 3.09Å; R645-E660 IonicContact NH2-OE2 2.94Å; R645-E660 PolarHBondContact NH2-OE2 3.39Å |
| 661 | L | 88.8 | Confident | 68.5 | Low | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 137.9 | -175.1 | -57.7 | 173.4 | 0 | 0 | 0 | 108.3 | V644 L646 L685 E686 K687 V689 | V644-L661 PolarHBondContact N-O 2.87Å; V644-L661 PolarHBondContact O-N 3.05Å; L646-L661 HydrophobicContact CD1-CD1 3.62Å; L646-L661 HydrophobicContact CG-CD1 4.43Å; L661-L685 HydrophobicContact CB-CD2 4.39Å; L661-L685 HydrophobicContact CD1-CB 4.42Å; L661-L685 HydrophobicContact CD1-CD1 3.84Å; L661-E686 HydrophobicContact CD2-CG 4.5Å; L661-K687 HydrophobicContact CD2-CD 4.18Å; L661-K687 HydrophobicContact CD2-CG 3.85Å; L661-V689 HydrophobicContact CD1-CG2 3.72Å |
| 662 | R | 87.7 | Confident | 67.5 | Low | 136 Ų | 136 | 73.7 Ų | 73.7 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 151.4 | 167.4 | -63.5 | 174.9 | 172.8 | -98.7 | -0.8 | 110.3 | S640 E686 | S640-R662 PolarHBondContact O-NH1 3.48Å; R662-E686 VanDerWaalsContact CB-OE2 3.28Å; R662-E686 WeakPolarHBondContact CB-OE2 2.97Å; R662-E686 PolarHBondContact N-OE2 3.44Å; R662-E686 VanDerWaalsContact N-OE2 3.13Å; R662-E686 PolarHBondContact O-N 3.33Å |
| 663 | A | 82.9 | Confident | 66.6 | Low | 5 Ų | 5 | 72.1 Ų | 72.1 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I639 V642 L683 K684 | I639-A663 HydrophobicContact CD1-CB 3.6Å; I639-A663 HydrophobicContact CG1-CB 4.18Å; V642-A663 HydrophobicContact CB-CB 4.07Å; V642-A663 HydrophobicContact CG1-CB 3.9Å; V642-A663 PolarHBondContact O-N 3.3Å; A663-L683 HydrophobicContact CB-CB 4.37Å; A663-L683 HydrophobicContact CB-CD2 4.09Å; A663-K684 CarbonylContact C-O 3.59Å; A663-K684 WeakPolarHBondContact CA-O 3.27Å |
| 664 | T | 81.4 | Confident | 66 | Low | 75 Ų | 75 | 70.7 Ų | 70.7 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -25 | 177.1 | 44.3 | 0 | 0 | 0 | 0 | 113 | K684 E686 | T664-K684 PolarHBondContact N-O 3.06Å; T664-K684 PolarHBondContact OG1-O 3.37Å; T664-E686 HydrophobicContact CG2-CB 3.79Å |
| 665 | A | 75.6 | Confident | 65.4 | Low | 23 Ų | 23 | 69 Ų | 69 | 19% | 0.19 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y631 L683 K684 | Y631-A665 HydrophobicContact CD1-CB 3.97Å; Y631-A665 HydrophobicContact CG-CB 4.16Å; A665-L683 WeakPolarHBondContact O-CA 3.33Å; A665-K684 HydrophobicContact CB-CB 3.9Å; A665-K684 PolarHBondContact O-N 3.46Å |
| 666 | M | 72.9 | Confident | 64.7 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 126.6 | 173.2 | 179.3 | 172.8 | 67.6 | 0 | 0 | 108.7 | P635 V637 I639 V668 A681 L682 L683 | P635-M666 HydrophobicContact CB-CE 4.15Å; V637-M666 HydrophobicContact CG2-CE 4.41Å; I639-M666 HydrophobicContact CD1-CB 3.68Å; M666-V668 HydrophobicContact CE-CG2 3.97Å; M666-V668 HydrophobicContact CG-CG2 3.87Å; M666-V668 HydrophobicContact SD-CG2 4.06Å; M666-A681 HydrophobicContact CG-CB 4.22Å; M666-A681 HydrophobicContact SD-CB 4.31Å; M666-L682 CarbonylContact C-O 3.58Å; M666-L682 WeakPolarHBondContact CA-O 3.39Å; M666-L683 HydrophobicContact CB-CD2 3.71Å; M666-L683 HydrophobicContact CG-CD2 3.67Å; M666-L683 HydrophobicContact SD-CD2 3.94Å |
| 667 | A | 68.4 | Low | 63.9 | Low | 23 Ų | 23 | 73.4 Ų | 73.4 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | A681 L682 | A667-A681 CarbonylContact O-C 3.22Å; A667-A681 WeakPolarHBondContact O-CA 3.47Å; A667-L682 HydrophobicContact CB-CB 4.49Å; A667-L682 PolarHBondContact N-O 2.63Å; A667-L682 PolarHBondContact O-N 3.13Å |
| 668 | V | 61.4 | Low | 63.2 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 24% | 0.242 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.4 | 175.1 | -162.8 | 0 | 0 | 0 | 0 | 106.9 | M666 L671 A681 | M666-V668 HydrophobicContact CE-CG2 3.97Å; M666-V668 HydrophobicContact CG-CG2 3.87Å; M666-V668 HydrophobicContact SD-CG2 4.06Å; V668-L671 HydrophobicContact CG1-CD1 4.05Å; V668-A681 HydrophobicContact CG1-CB 4.4Å; V668-A681 HydrophobicContact CG2-CB 4.14Å |
| 669 | A | 54.8 | Low | 62.4 | Low | 35 Ų | 35 | 79.3 Ų | 79.3 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | trans | -58.5 | 152.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L671 I680 | A669-L671 PolarHBondContact O-N 3.41Å; A669-I680 PolarHBondContact N-O 3.49Å | ||
| 670 | E | 49.8 | Very low | 61.7 | Low | 187 Ų | 187 | 81 Ų | 81 | 87% | 0.874 | 43% | 0.428 | S | S | * | . | trans | -60.1 | 115.3 | 175.8 | -72.8 | -172.5 | 140.3 | 0 | 0 | 109.3 | D672 | E670-D672 PolarHBondContact O-N 3.44Å; E670-D672 VanDerWaalsContact O-N 3.15Å | ||
| 671 | L | 42.3 | Very low | 60.9 | Low | 79 Ų | 79 | 78.7 Ų | 78.7 | 41% | 0.414 | 43% | 0.426 | S | S | . | . | trans | -77 | 99.3 | -175.9 | -103.5 | 151.9 | 0 | 0 | 0 | 110.4 | L636 V668 A669 I673 | L636-L671 HydrophobicContact CD1-CD1 3.36Å; V668-L671 HydrophobicContact CG1-CD1 4.05Å; A669-L671 PolarHBondContact O-N 3.41Å; L671-I673 PolarHBondContact O-N 3.47Å; L671-I673 VanDerWaalsContact O-N 3.08Å | ||
| 672 | D | 46 | Very low | 60.3 | Low | 83 Ų | 83 | 81.8 Ų | 81.8 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | trans | -69.4 | 101.3 | 159.2 | -173.8 | -12 | 0 | 0 | 0 | 108.7 | E670 S674 N675 | E670-D672 PolarHBondContact O-N 3.44Å; E670-D672 VanDerWaalsContact O-N 3.15Å; D672-S674 PolarHBondContact O-N 3.49Å; D672-S674 VanDerWaalsContact OD1-CB 3.24Å; D672-S674 WeakPolarHBondContact OD1-CB 3.01Å; D672-S674 PolarHBondContact OD1-N 2.74Å; D672-S674 PolarHBondContact OD1-OG 2.83Å; D672-S674 PolarHBondContact OD2-OG 2.03Å; D672-S674 VanDerWaalsContact OD2-OG 3.13Å; D672-N675 CarbonylContact O-C 3.58Å; D672-N675 PolarHBondContact O-N 3.22Å; D672-N675 VanDerWaalsContact O-O 3.11Å | ||
| 673 | I | 48.5 | Very low | 60 | Low | 161 Ų | 161 | 77.4 Ų | 77.4 | 83% | 0.826 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.7 | -179.4 | -55.4 | 168.2 | 0 | 0 | 0 | 111.7 | L671 | L671-I673 PolarHBondContact O-N 3.47Å; L671-I673 VanDerWaalsContact O-N 3.08Å |
| 674 | S | 48.5 | Very low | 59.9 | Low | 100 Ų | 100 | 80.5 Ų | 80.5 | 70% | 0.699 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20.7 | 175.7 | 79.9 | 0 | 0 | 0 | 0 | 114 | D672 | D672-S674 PolarHBondContact O-N 3.49Å; D672-S674 VanDerWaalsContact OD1-CB 3.24Å; D672-S674 WeakPolarHBondContact OD1-CB 3.01Å; D672-S674 PolarHBondContact OD1-N 2.74Å; D672-S674 PolarHBondContact OD1-OG 2.83Å; D672-S674 PolarHBondContact OD2-OG 2.03Å; D672-S674 VanDerWaalsContact OD2-OG 3.13Å |
| 675 | N | 42.7 | Very low | 60 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 43% | 0.428 | 43% | 0.428 | S | S | . | . | trans | -128.8 | 106.4 | -173.2 | -160.5 | 17.1 | 0 | 0 | 0 | 111.7 | D672 T677 | D672-N675 CarbonylContact O-C 3.58Å; D672-N675 PolarHBondContact O-N 3.22Å; D672-N675 VanDerWaalsContact O-O 3.11Å; N675-T677 VanDerWaalsContact CG-OG1 3.28Å; N675-T677 PolarHBondContact ND2-OG1 2.99Å; N675-T677 PolarHBondContact O-N 3.31Å | ||
| 676 | K | 46.5 | Very low | 60.3 | Low | 186 Ų | 186 | 81.2 Ų | 81.2 | 81% | 0.809 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 43.1 | -179.6 | -58.1 | -174.1 | 179.5 | -174.2 | 0 | 113.3 | ||
| 677 | T | 42.7 | Very low | 60.7 | Low | 81 Ų | 81 | 85.8 Ų | 85.8 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -22.3 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | N675 D679 | N675-T677 VanDerWaalsContact CG-OG1 3.28Å; N675-T677 PolarHBondContact ND2-OG1 2.99Å; N675-T677 PolarHBondContact O-N 3.31Å; T677-D679 PolarHBondContact O-N 2.93Å; T677-D679 VanDerWaalsContact O-N 3.12Å |
| 678 | D | 45.7 | Very low | 60.9 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 26% | 0.257 | 49% | 0.486 | S | S | . | . | trans | -90.7 | 31.9 | -170.8 | -54.2 | -20.2 | 0 | 0 | 0 | 111.9 | I680 | D678-I680 PolarHBondContact O-N 2.81Š| ||
| 679 | D | 56.9 | Low | 61.6 | Low | 124 Ų | 124 | 92 Ų | 92 | 66% | 0.663 | 48% | 0.48 | S | S | * | . | trans | -76.9 | 33.8 | -172.7 | -70.6 | -7.1 | 0 | 0 | 0 | 113.3 | T677 | T677-D679 PolarHBondContact O-N 2.93Å; T677-D679 VanDerWaalsContact O-N 3.12Å | ||
| 680 | I | 64.9 | Low | 62.4 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | trans | -115 | 122.1 | -177.4 | -57.2 | -178.3 | 0 | 0 | 0 | 111.5 | A669 D678 | A669-I680 PolarHBondContact N-O 3.49Å; D678-I680 PolarHBondContact O-N 2.81Å | ||
| 681 | A | 71.1 | Confident | 63.6 | Low | 50 Ų | 50 | 90.6 Ų | 90.6 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | M666 A667 V668 | M666-A681 HydrophobicContact CG-CB 4.22Å; M666-A681 HydrophobicContact SD-CB 4.31Å; A667-A681 CarbonylContact O-C 3.22Å; A667-A681 WeakPolarHBondContact O-CA 3.47Å; V668-A681 HydrophobicContact CG1-CB 4.4Å; V668-A681 HydrophobicContact CG2-CB 4.14Å |
| 682 | L | 76.3 | Confident | 65 | Low | 70 Ų | 70 | 89.8 Ų | 89.8 | 37% | 0.366 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 126.3 | 170.6 | -69.1 | 170.5 | 0 | 0 | 0 | 109.3 | M623 M666 A667 | M623-L682 HydrophobicContact SD-CD2 4.11Å; M666-L682 CarbonylContact C-O 3.58Å; M666-L682 WeakPolarHBondContact CA-O 3.39Å; A667-L682 HydrophobicContact CB-CB 4.49Å; A667-L682 PolarHBondContact N-O 2.63Å; A667-L682 PolarHBondContact O-N 3.13Å |
| 683 | L | 80.4 | Confident | 66 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.225 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.5 | 179.2 | -65.1 | 173.5 | 0 | 0 | 0 | 110.6 | I607 I639 V642 V644 A663 A665 M666 | I607-L683 HydrophobicContact CD1-CD1 3.76Å; I607-L683 HydrophobicContact CG1-CD1 4.09Å; I607-L683 HydrophobicContact CG2-CD1 4.15Å; I639-L683 HydrophobicContact CD1-CD2 4.26Å; V642-L683 HydrophobicContact CG1-CD1 4.14Å; V642-L683 HydrophobicContact CG1-CD2 4.32Å; V644-L683 HydrophobicContact CG2-CD1 4.08Å; A663-L683 HydrophobicContact CB-CB 4.37Å; A663-L683 HydrophobicContact CB-CD2 4.09Å; A665-L683 WeakPolarHBondContact O-CA 3.33Å; M666-L683 HydrophobicContact CB-CD2 3.71Å; M666-L683 HydrophobicContact CG-CD2 3.67Å; M666-L683 HydrophobicContact SD-CD2 3.94Å |
| 684 | K | 81.5 | Confident | 67.2 | Low | 70 Ų | 70 | 82.9 Ų | 82.9 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.2 | 165.1 | -160.1 | 174.7 | -170.1 | 162.5 | 0 | 108.3 | Y631 A663 T664 A665 | Y631-K684 HydrophobicContact CD1-CB 3.86Å; Y631-K684 HydrophobicContact CD1-CD 4.39Å; Y631-K684 HydrophobicContact CD1-CG 4.49Å; Y631-K684 HydrophobicContact CD2-CD 3.67Å; Y631-K684 HydrophobicContact CD2-CG 4.38Å; Y631-K684 HydrophobicContact CE1-CB 3.51Å; Y631-K684 HydrophobicContact CE1-CD 4.35Å; Y631-K684 HydrophobicContact CE1-CG 4.06Å; Y631-K684 HydrophobicContact CE2-CB 4.29Å; Y631-K684 HydrophobicContact CE2-CD 3.6Å; Y631-K684 HydrophobicContact CE2-CG 3.92Å; Y631-K684 HydrophobicContact CG-CB 4.37Å; Y631-K684 HydrophobicContact CG-CD 4.06Å; A663-K684 CarbonylContact C-O 3.59Å; A663-K684 WeakPolarHBondContact CA-O 3.27Å; T664-K684 PolarHBondContact N-O 3.06Å; T664-K684 PolarHBondContact OG1-O 3.37Å; A665-K684 HydrophobicContact CB-CB 3.9Å; A665-K684 PolarHBondContact O-N 3.46Å |
| 685 | L | 84.2 | Confident | 68.5 | Low | 35 Ų | 35 | 78.2 Ų | 78.2 | 18% | 0.183 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 151.6 | 174.7 | -58.2 | 174.4 | 0 | 0 | 0 | 110.2 | L622 V644 L646 L661 K687 V689 | L622-L685 HydrophobicContact CD1-CD1 4.01Å; V644-L685 HydrophobicContact CB-CD2 3.8Å; V644-L685 HydrophobicContact CG1-CD2 4.11Å; V644-L685 HydrophobicContact CG2-CD2 3.71Å; L646-L685 HydrophobicContact CD1-CD1 4.45Å; L661-L685 HydrophobicContact CB-CD2 4.39Å; L661-L685 HydrophobicContact CD1-CB 4.42Å; L661-L685 HydrophobicContact CD1-CD1 3.84Å; L685-K687 PolarHBondContact O-N 3.48Å; L685-K687 VanDerWaalsContact O-N 3.14Å; L685-V689 HydrophobicContact CD1-CG2 3.67Å |
| 686 | E | 80.5 | Confident | 70 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -60.2 | -23 | -177.1 | 70.1 | -179.5 | -158.2 | 0 | 0 | 115.2 | L661 R662 T664 | L661-E686 HydrophobicContact CD2-CG 4.5Å; R662-E686 VanDerWaalsContact CB-OE2 3.28Å; R662-E686 WeakPolarHBondContact CB-OE2 2.97Å; R662-E686 PolarHBondContact N-OE2 3.44Å; R662-E686 VanDerWaalsContact N-OE2 3.13Å; R662-E686 PolarHBondContact O-N 3.33Å; T664-E686 HydrophobicContact CG2-CB 3.79Å |
| 687 | K | 81.4 | Confident | 71.3 | Confident | 117 Ų | 117 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -157 | 156.6 | -178.5 | 63.1 | -158.5 | 171.7 | -147.1 | 0 | 110.1 | L661 L685 | L661-K687 HydrophobicContact CD2-CD 4.18Å; L661-K687 HydrophobicContact CD2-CG 3.85Å; L685-K687 PolarHBondContact O-N 3.48Å; L685-K687 VanDerWaalsContact O-N 3.14Å |
| 688 | E | 72.6 | Confident | 72.6 | Confident | 176 Ų | 176 | 66.8 Ų | 66.8 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | trans | -58.5 | 145.3 | 176.8 | -66.9 | -164.2 | 132.7 | 0 | 0 | 112.7 | ||||
| 689 | V | 76.3 | Confident | 73.3 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | trans | -93.3 | 114.3 | 178.7 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | L622 L646 L661 L685 Y691 I695 | L622-V689 HydrophobicContact CD1-CG2 4.03Å; L622-V689 HydrophobicContact CD2-CG1 4.06Å; L646-V689 HydrophobicContact CD1-CB 4.35Å; L646-V689 HydrophobicContact CD1-CG1 3.68Å; L646-V689 HydrophobicContact CD1-CG2 3.67Å; L661-V689 HydrophobicContact CD1-CG2 3.72Å; L685-V689 HydrophobicContact CD1-CG2 3.67Å; V689-Y691 PolarHBondContact O-N 2.85Å; V689-Y691 VanDerWaalsContact O-N 3.15Å; V689-I695 HydrophobicContact CG1-CG2 3.56Å | ||
| 690 | T | 72.3 | Confident | 73.1 | Confident | 93 Ų | 93 | 65 Ų | 65 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | trans | -68.8 | 108.8 | 167.6 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | K659 | K659-T690 PolarHBondContact NZ-OG1 2.91Š| ||
| 691 | Y | 74.4 | Confident | 72.2 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 38% | 0.384 | 34% | 0.342 | S | S | . | . | trans | -68.3 | 146.5 | 177.5 | -57.3 | -69.2 | 0 | 0 | 0 | 112.5 | L622 H624 V689 I695 G697 | L622-Y691 HydrophobicContact CD2-CD1 4.24Å; L622-Y691 HydrophobicContact CD2-CE1 3.67Å; L622-Y691 HydrophobicContact CG-CE1 4.22Å; H624-Y691 AromaticContact CD2-CE2 3.61Å; H624-Y691 AromaticContact CD2-CZ 3.85Å; V689-Y691 PolarHBondContact O-N 2.85Å; V689-Y691 VanDerWaalsContact O-N 3.15Å; Y691-I695 CarbonylContact C-O 3.59Å; Y691-I695 VanDerWaalsContact CA-O 3.27Å; Y691-I695 WeakPolarHBondContact CA-O 3.44Å; Y691-I695 WeakPolarHBondContact CB-O 3.44Å; Y691-G697 VanDerWaalsContact CE1-N 3.26Å | ||
| 692 | N | 71.9 | Confident | 70.8 | Confident | 63 Ų | 63 | 63.5 Ų | 63.5 | 34% | 0.337 | 34% | 0.337 | S | S | . | . | trans | -145 | -163.1 | 174.7 | 73.1 | 0.8 | 0 | 0 | 0 | 109.8 | E694 I695 Q696 | N692-E694 PolarHBondContact ND2-OE2 2.96Å; N692-E694 VanDerWaalsContact ND2-OE2 3.08Å; N692-E694 PolarHBondContact O-N 2.96Å; N692-E694 WeakPolarHBondContact OD1-CA 3.45Å; N692-E694 WeakPolarHBondContact OD1-CB 3.26Å; N692-E694 PolarHBondContact OD1-N 2.91Å; N692-I695 PolarHBondContact N-O 3.05Å; N692-I695 PolarHBondContact OD1-N 3.29Å; N692-Q696 WeakPolarHBondContact O-CG 3.09Å | ||
| 693 | A | 67 | Low | 69 | Low | 51 Ų | 51 | 64.8 Ų | 64.8 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -70.6 | -13 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V575 | V575-A693 HydrophobicContact CG2-CB 4.11Š|
| 694 | E | 72.8 | Confident | 67 | Low | 48 Ų | 48 | 68.8 Ų | 68.8 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -114.9 | -21.6 | -168.4 | -50.6 | 168.6 | 111.3 | 0 | 0 | 111.7 | H599 A657 N692 | H599-E694 VanDerWaalsContact CE1-CG 3.47Å; H599-E694 WeakPolarHBondContact CE1-CG 3.39Å; H599-E694 IonicContact CE1-OE1 3.78Å; H599-E694 PolarHBondContact CE1-OE1 3.39Å; H599-E694 WeakPolarHBondContact ND1-CB 3.17Å; H599-E694 WeakPolarHBondContact ND1-CG 3.48Å; H599-E694 IonicContact ND1-OE1 2.63Å; H599-E694 IonicContact NE2-OE1 2.7Å; H599-E694 PolarHBondContact NE2-OE1 2.78Å; A657-E694 VanDerWaalsContact CB-CD 3.44Å; A657-E694 WeakPolarHBondContact CB-OE1 3.46Å; A657-E694 WeakPolarHBondContact CB-OE2 3.27Å; N692-E694 PolarHBondContact ND2-OE2 2.96Å; N692-E694 VanDerWaalsContact ND2-OE2 3.08Å; N692-E694 PolarHBondContact O-N 2.96Å; N692-E694 WeakPolarHBondContact OD1-CA 3.45Å; N692-E694 WeakPolarHBondContact OD1-CB 3.26Å; N692-E694 PolarHBondContact OD1-N 2.91Å |
| 695 | I | 77.1 | Confident | 64.7 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | trans | -131.4 | 109.8 | 180 | -55.7 | 174.5 | 0 | 0 | 0 | 107.9 | P602 L622 L646 K659 V689 Y691 N692 | P602-I695 WeakPolarHBondContact O-CA 3.22Å; L622-I695 HydrophobicContact CD2-CG2 3.55Å; L646-I695 HydrophobicContact CB-CD1 3.89Å; L646-I695 HydrophobicContact CB-CG1 4.15Å; L646-I695 HydrophobicContact CB-CG2 4.06Å; L646-I695 HydrophobicContact CD1-CG2 4.13Å; K659-I695 HydrophobicContact CB-CD1 4.08Å; K659-I695 HydrophobicContact CD-CD1 4.38Å; K659-I695 HydrophobicContact CG-CD1 4.27Å; V689-I695 HydrophobicContact CG1-CG2 3.56Å; Y691-I695 CarbonylContact C-O 3.59Å; Y691-I695 VanDerWaalsContact CA-O 3.27Å; Y691-I695 WeakPolarHBondContact CA-O 3.44Å; Y691-I695 WeakPolarHBondContact CB-O 3.44Å; N692-I695 PolarHBondContact N-O 3.05Å; N692-I695 PolarHBondContact OD1-N 3.29Å | ||
| 696 | Q | 74.2 | Confident | 62.6 | Low | 42 Ų | 42 | 76.2 Ų | 76.2 | 20% | 0.196 | 41% | 0.407 | C | S | . | . | trans | -140.2 | 144.1 | 179.5 | -63.6 | -176.1 | -29.6 | 0 | 0 | 110.1 | Q573 P602 W603 N692 | Q573-Q696 PolarHBondContact O-OE1 2.99Å; Q573-Q696 VanDerWaalsContact O-OE1 3.13Å; P602-Q696 CarbonylContact C-O 3.38Å; P602-Q696 HydrophobicContact CB-CB 3.92Å; P602-Q696 HydrophobicContact CB-CG 3.98Å; P602-Q696 HydrophobicContact CG-CB 3.87Å; P602-Q696 HydrophobicContact CG-CG 4.03Å; P602-Q696 VanDerWaalsContact CG-OE1 3.31Å; P602-Q696 PolarHBondContact O-N 3.25Å; W603-Q696 WeakPolarHBondContact CA-O 3.27Å; W603-Q696 WeakPolarHBondContact CB-O 3.44Å; W603-Q696 PolarHBondContact N-O 2.78Å; N692-Q696 WeakPolarHBondContact O-CG 3.09Å | ||
| 697 | G | 73.1 | Confident | 60.3 | Low | 8 Ų | 8 | 78.3 Ų | 78.3 | 8% | 0.082 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 142.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G572 L622 Y691 | G572-G697 PolarHBondContact N-O 3.08Å; L622-G697 CarbonylContact O-C 3.57Å; L622-G697 WeakPolarHBondContact O-CA 3.27Å; Y691-G697 VanDerWaalsContact CE1-N 3.26Å |
| 698 | I | 70.7 | Confident | 58.2 | Low | 57 Ų | 57 | 76.8 Ų | 76.8 | 29% | 0.292 | 42% | 0.422 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 148.5 | 160.7 | -160.5 | 171.8 | 0 | 0 | 0 | 109.4 | W603 L622 M623 H624 | W603-I698 HydrophobicContact CB-CB 4.12Å; W603-I698 HydrophobicContact CD2-CB 4.46Å; W603-I698 HydrophobicContact CG-CB 4.1Å; L622-I698 PolarHBondContact O-N 3.03Å; M623-I698 HydrophobicContact CG-CG2 3.89Å; H624-I698 PolarHBondContact N-O 2.8Å |
| 699 | C | 59.1 | Low | 56.3 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 144.7 | 167.5 | -115.8 | 0 | 0 | 0 | 0 | 111.4 | C571 | C571-C699 HydrophobicContact CB-CB 3.42Å; C571-C699 VanDerWaalsContact CB-CB 3.42Å; C571-C699 WeakPolarHBondContact CB-SG 3.46Å; C571-C699 WeakPolarHBondContact SG-CB 3.24Å; C571-C699 CovalentContact SG-SG 2Å; C571-C699 PolarHBondContact SG-SG 3.44Å |
| 700 | L | 52.7 | Low | 54.2 | Low | 90 Ų | 90 | 82.1 Ų | 82.1 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 141.4 | 148.4 | -70 | 170 | 0 | 0 | 0 | 108.5 | M623 W625 A702 | M623-L700 HydrophobicContact CE-CD1 3.72Å; M623-L700 HydrophobicContact CE-CD2 3.62Å; M623-L700 HydrophobicContact CE-CG 3.62Å; W625-L700 HydrophobicContact CE3-CD1 4.08Å; W625-L700 HydrophobicContact CZ3-CD1 3.72Å; L700-A702 PolarHBondContact O-N 2.93Å |
| 701 | P | 46 | Very low | 52.4 | Low | 94 Ų | 94 | 81.2 Ų | 81.2 | 61% | 0.61 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 138.2 | 171.2 | 26.4 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 702 | A | 42.5 | Very low | 50.1 | Low | 37 Ų | 37 | 82.7 Ų | 82.7 | 31% | 0.306 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -72 | 157.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | Q568 L700 N704 E705 | Q568-A702 HydrophobicContact CG-CB 3.79Å; Q568-A702 VanDerWaalsContact NE2-N 3.16Å; Q568-A702 VanDerWaalsContact OE1-CB 3.31Å; L700-A702 PolarHBondContact O-N 2.93Å; A702-N704 PolarHBondContact O-N 2.9Å; A702-E705 PolarHBondContact O-N 3.25Å |
| 703 | E | 37.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 83.9 Ų | 83.9 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -1.5 | -164 | -52.3 | -174.3 | 129.2 | 0 | 0 | 117.2 | R724 | E703-R724 IonicContact OE1-CZ 3.66Å; E703-R724 IonicContact OE1-NH1 3.84Å; E703-R724 PolarHBondContact OE1-NH1 2.95Å; E703-R724 IonicContact OE1-NH2 4Å; E703-R724 PolarHBondContact OE1-NH2 3.08Å |
| 704 | N | 39.3 | Very low | 46.2 | Very low | 127 Ų | 127 | 88.1 Ų | 88.1 | 68% | 0.679 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 4.6 | -171.3 | -59 | -67.4 | 0 | 0 | 0 | 114.5 | A702 V706 | A702-N704 PolarHBondContact O-N 2.9Å; N704-V706 PolarHBondContact O-N 3.12Å |
| 705 | E | 33.6 | Very low | 44.1 | Very low | 122 Ų | 122 | 93 Ų | 93 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | trans | -84.9 | 98.8 | 170.9 | -82.3 | -168.6 | 145.5 | 0 | 0 | 111.4 | Q568 A702 L707 | Q568-E705 VanDerWaalsContact NE2-CD 3.33Å; Q568-E705 PolarHBondContact NE2-OE2 3.3Å; A702-E705 PolarHBondContact O-N 3.25Å; E705-L707 PolarHBondContact O-N 3.29Å; E705-L707 VanDerWaalsContact O-N 3.13Å | ||
| 706 | V | 38.8 | Very low | 41.8 | Very low | 139 Ų | 139 | 96.9 Ų | 96.9 | 84% | 0.842 | 55% | 0.547 | S | S | * | . | trans | -65.5 | 104.4 | 161 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | N704 | N704-V706 PolarHBondContact O-N 3.12Š| ||
| 707 | L | 34 | Very low | 39.7 | Very low | 122 Ų | 122 | 101.8 Ų | 101.8 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | trans | -58.6 | 132 | 172.6 | -77.6 | 169.6 | 0 | 0 | 0 | 109.1 | E705 | E705-L707 PolarHBondContact O-N 3.29Å; E705-L707 VanDerWaalsContact O-N 3.13Å | ||
| 708 | P | 35.4 | Very low | 37.6 | Very low | 85 Ų | 85 | 104.9 Ų | 104.9 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | trans | -62.2 | 148.9 | -176.8 | 23.3 | -32.7 | 0 | 0 | 0 | 111.3 | E710 S711 | P708-E710 PolarHBondContact O-N 2.66Å; P708-S711 PolarHBondContact O-N 2.75Å | ||
| 709 | P | 33.5 | Very low | 35.8 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.7 | -163.2 | -25.8 | 35.5 | 0 | 0 | 0 | 116.5 | S711 L712 | P709-S711 PolarHBondContact O-N 3.32Å; P709-L712 VanDerWaalsContact O-CD1 3.23Å; P709-L712 WeakPolarHBondContact O-CD1 3.35Å; P709-L712 VanDerWaalsContact O-CG 3.22Å; P709-L712 WeakPolarHBondContact O-CG 3.43Å |
| 710 | E | 33.1 | Very low | 34.4 | Very low | 196 Ų | 196 | 113.3 Ų | 113.3 | 92% | 0.916 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -10.2 | 177.5 | -61.2 | -173.4 | 164.5 | 0 | 0 | 112.9 | P708 L712 | P708-E710 PolarHBondContact O-N 2.66Å; E710-L712 VanDerWaalsContact C-N 3.28Å; E710-L712 PolarHBondContact O-N 3.14Å |
| 711 | S | 33.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 116.7 Ų | 116.7 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | trans | -89.6 | 43.1 | 175.2 | -58.7 | 0 | 0 | 0 | 0 | 113 | P708 P709 C713 | P708-S711 PolarHBondContact O-N 2.75Å; P709-S711 PolarHBondContact O-N 3.32Å; S711-C713 PolarHBondContact O-N 2.84Å | ||
| 712 | L | 25.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | trans | -71.2 | 81 | -177.6 | -85.5 | 155.6 | 0 | 0 | 0 | 113.1 | P709 E710 L714 | P709-L712 VanDerWaalsContact O-CD1 3.23Å; P709-L712 WeakPolarHBondContact O-CD1 3.35Å; P709-L712 VanDerWaalsContact O-CG 3.22Å; P709-L712 WeakPolarHBondContact O-CG 3.43Å; E710-L712 VanDerWaalsContact C-N 3.28Å; E710-L712 PolarHBondContact O-N 3.14Å; L712-L714 HydrophobicContact CD2-CD1 3.83Å; L712-L714 HydrophobicContact CD2-CG 3.9Å | ||
| 713 | C | 29.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 122.6 Ų | 122.6 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | trans | -92.9 | 85.6 | 154.8 | -158 | 0 | 0 | 0 | 0 | 108.9 | S711 L715 C716 | S711-C713 PolarHBondContact O-N 2.84Å; C713-L715 PolarHBondContact O-N 3.39Å; C713-C716 PolarHBondContact O-N 2.82Å | ||
| 714 | L | 28.5 | Very low | 31.4 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 6.2 | -167.8 | -114.4 | 147.4 | 0 | 0 | 0 | 116.2 | L712 | L712-L714 HydrophobicContact CD2-CD1 3.83Å; L712-L714 HydrophobicContact CD2-CG 3.9Å |
| 715 | L | 27.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -4.6 | -172 | -83.3 | 155.8 | 0 | 0 | 0 | 114.8 | C713 | C713-L715 PolarHBondContact O-N 3.39Š|
| 716 | C | 29.6 | Very low | 30.5 | Very low | 82 Ų | 82 | 123.9 Ų | 123.9 | 55% | 0.554 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -99.2 | 2.1 | -178.1 | -63.9 | 0 | 0 | 0 | 0 | 114.9 | C713 | C713-C716 PolarHBondContact O-N 2.82Š|
| 717 | I | 29.6 | Very low | 30 | Very low | 145 Ų | 145 | 121.3 Ų | 121.3 | 74% | 0.744 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.8 | -15.5 | -169.7 | -58.5 | 173.9 | 0 | 0 | 0 | 112.9 | ||
| 718 | S | 29.8 | Very low | 29.5 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -91.9 | -36.1 | -178.3 | 57 | 0 | 0 | 0 | 0 | 115.3 | ||
| 719 | E | 31.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -97.3 | -14.2 | -163.1 | -55.2 | -47 | 129 | 0 | 0 | 116 | F721 | E719-F721 PolarHBondContact O-N 2.85Š|
| 720 | L | 30.2 | Very low | 29 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 7.4 | -178.9 | -98.8 | 160.1 | 0 | 0 | 0 | 114.7 | ||
| 721 | F | 30.2 | Very low | 28.6 | Very low | 160 Ų | 160 | 114.7 Ų | 114.7 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -19.7 | -176.5 | -98.2 | -87.3 | 0 | 0 | 0 | 115.2 | E719 | E719-F721 PolarHBondContact O-N 2.85Š|
| 722 | F | 27.5 | Very low | 28.3 | Very low | 140 Ų | 140 | 117 Ų | 117 | 61% | 0.614 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -92.9 | -21.5 | -166.5 | -96.5 | -90.9 | 0 | 0 | 0 | 116.9 | R724 | F722-R724 VanDerWaalsContact C-N 3.32Å; F722-R724 PolarHBondContact O-N 2.96Å |
| 723 | L | 28.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 9.8 | -170.4 | -84.9 | 161.8 | 0 | 0 | 0 | 116.2 | ||
| 724 | R | 30.3 | Very low | 29.2 | Very low | 157 Ų | 157 | 118.1 Ų | 118.1 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 2.6 | 179.9 | -85.4 | -174.3 | 173.3 | -155.8 | -4 | 115.7 | E703 F722 | E703-R724 IonicContact OE1-CZ 3.66Å; E703-R724 IonicContact OE1-NH1 3.84Å; E703-R724 PolarHBondContact OE1-NH1 2.95Å; E703-R724 IonicContact OE1-NH2 4Å; E703-R724 PolarHBondContact OE1-NH2 3.08Å; F722-R724 VanDerWaalsContact C-N 3.32Å; F722-R724 PolarHBondContact O-N 2.96Å |
| 725 | A | 28.1 | Very low | 29.9 | Very low | 37 Ų | 37 | 112.4 Ų | 112.4 | 31% | 0.306 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -83.9 | -7.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V862 | A725-V862 HydrophobicContact CB-CG1 4.23Š|
| 726 | F | 26 | Very low | 31.4 | Very low | 181 Ų | 181 | 111 Ų | 111 | 79% | 0.794 | 59% | 0.585 | S | S | * | * | trans | -132.9 | 65 | -169.7 | -78.2 | -87.1 | 0 | 0 | 0 | 113.3 | A630 | A630-F726 VanDerWaalsContact CB-O 3.31Å; A630-F726 WeakPolarHBondContact CB-O 3.28Å | ||
| 727 | I | 26.6 | Very low | 33.6 | Very low | 84 Ų | 84 | 108.5 Ų | 108.5 | 43% | 0.431 | 57% | 0.568 | S | S | . | * | trans | -126.3 | 128.6 | 167.2 | -58.8 | -177.2 | 0 | 0 | 0 | 109.4 | W625 A630 | W625-I727 HydrophobicContact CZ2-CD1 4.2Å; A630-I727 HydrophobicContact CB-CG1 4.3Å | ||
| 728 | D | 25.2 | Very low | 35.7 | Very low | 98 Ų | 98 | 103 Ų | 103 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | trans | -98.7 | 164.7 | -159.7 | 168.6 | 47.3 | 0 | 0 | 0 | 114.9 | N629 S730 | N629-D728 HydrophobicContact CB-CB 3.99Å; N629-D728 PolarHBondContact O-N 3.1Å; D728-S730 VanDerWaalsContact C-N 3.3Å; D728-S730 PolarHBondContact O-N 2.92Å | ||
| 729 | S | 28 | Very low | 37.9 | Very low | 96 Ų | 96 | 105.6 Ų | 105.6 | 67% | 0.671 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 3.6 | -152.9 | -38.3 | 0 | 0 | 0 | 0 | 119 | ||
| 730 | S | 29.4 | Very low | 40.2 | Very low | 82 Ų | 82 | 100.4 Ų | 100.4 | 57% | 0.573 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -14.3 | -163.9 | -45 | 0 | 0 | 0 | 0 | 115.8 | N629 D728 V732 | N629-S730 VanDerWaalsContact ND2-CB 3.31Å; N629-S730 WeakPolarHBondContact ND2-CB 3.13Å; N629-S730 PolarHBondContact ND2-OG 3.12Å; D728-S730 VanDerWaalsContact C-N 3.3Å; D728-S730 PolarHBondContact O-N 2.92Å; S730-V732 PolarHBondContact O-N 2.88Å |
| 731 | C | 25.7 | Very low | 42.2 | Very low | 97 Ų | 97 | 98.9 Ų | 98.9 | 66% | 0.655 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -79.7 | 102.2 | 162.1 | -164.2 | 0 | 0 | 0 | 0 | 107 | L733 | C731-L733 PolarHBondContact O-N 2.97Š|
| 732 | V | 27.3 | Very low | 44.5 | Very low | 123 Ų | 123 | 92.9 Ų | 92.9 | 75% | 0.745 | 49% | 0.49 | S | S | * | . | trans | -66.9 | 80.8 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | S730 Q734 | S730-V732 PolarHBondContact O-N 2.88Å; V732-Q734 VanDerWaalsContact C-N 3.27Å; V732-Q734 PolarHBondContact O-N 2.83Å | ||
| 733 | L | 34.2 | Very low | 46.9 | Very low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | trans | -57.5 | 104.3 | 148.2 | -105.5 | 82.8 | 0 | 0 | 0 | 105.2 | C731 A735 | C731-L733 PolarHBondContact O-N 2.97Å; L733-A735 PolarHBondContact O-N 2.9Å | ||
| 734 | Q | 38.2 | Very low | 49.4 | Very low | 133 Ų | 133 | 89.1 Ų | 89.1 | 62% | 0.621 | 47% | 0.471 | S | S | * | . | trans | -52.9 | 102.8 | 140.7 | -74.8 | -174.7 | -56.7 | 0 | 0 | 104.7 | V732 F736 | V732-Q734 VanDerWaalsContact C-N 3.27Å; V732-Q734 PolarHBondContact O-N 2.83Å; Q734-F736 HydrophobicContact CB-CE2 4.33Å; Q734-F736 HydrophobicContact CB-CZ 4.27Å; Q734-F736 VanDerWaalsContact O-CD2 3.31Å; Q734-F736 WeakPolarHBondContact O-CD2 3.11Å; Q734-F736 PolarHBondContact O-N 3.17Å | ||
| 735 | A | 44.4 | Very low | 51.6 | Low | 20 Ų | 20 | 85.3 Ų | 85.3 | 17% | 0.165 | 46% | 0.462 | C | S | . | . | trans | -74.4 | 83.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 108 | L733 C737 Y896 | L733-A735 PolarHBondContact O-N 2.9Å; A735-C737 PolarHBondContact O-N 2.84Å; A735-Y896 HydrophobicContact CB-CD2 3.84Å; A735-Y896 HydrophobicContact CB-CE2 4.38Å | ||
| 736 | F | 58.1 | Low | 53.5 | Low | 123 Ų | 123 | 89.6 Ų | 89.6 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | trans | -56 | 107 | 170.4 | -62.8 | -68.7 | 0 | 0 | 0 | 107.4 | Q734 Q739 | Q734-F736 HydrophobicContact CB-CE2 4.33Å; Q734-F736 HydrophobicContact CB-CZ 4.27Å; Q734-F736 VanDerWaalsContact O-CD2 3.31Å; Q734-F736 WeakPolarHBondContact O-CD2 3.11Å; Q734-F736 PolarHBondContact O-N 3.17Å; F736-Q739 HydrophobicContact CB-CB 4.42Å; F736-Q739 HydrophobicContact CB-CG 4.08Å; F736-Q739 PolarHBondContact O-N 2.89Å | ||
| 737 | C | 77.1 | Confident | 55 | Low | 29 Ų | 29 | 82.8 Ų | 82.8 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 153.3 | 177.4 | 55 | 0 | 0 | 0 | 0 | 110.4 | A735 Q739 H790 G902 C904 | A735-C737 PolarHBondContact O-N 2.84Å; C737-Q739 PolarHBondContact O-N 2.8Å; C737-H790 HydrophobicContact CB-CB 3.49Å; C737-H790 VanDerWaalsContact CB-CB 3.49Å; C737-G902 WeakPolarHBondContact CA-O 3.47Å; C737-C904 VanDerWaalsContact CA-SG 3.58Å; C737-C904 HydrophobicContact CB-CB 3.94Å; C737-C904 WeakPolarHBondContact CB-SG 3.3Å; C737-C904 PolarHBondContact O-SG 2.85Å; C737-C904 WeakPolarHBondContact SG-CA 3.29Å; C737-C904 WeakPolarHBondContact SG-CB 3.36Å; C737-C904 CovalentContact SG-SG 2.04Å; C737-C904 PolarHBondContact SG-SG 2.99Å |
| 738 | G | 73 | Confident | 56 | Low | 29 Ų | 29 | 89.4 Ų | 89.4 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 3.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | P740 G902 | G738-P740 VanDerWaalsContact O-CD 3.24Å; G738-P740 WeakPolarHBondContact O-CD 3.49Å; G738-G902 PolarHBondContact N-O 2.91Å; G738-G902 VanDerWaalsContact N-O 3.09Å |
| 739 | Q | 75.5 | Confident | 57 | Low | 129 Ų | 129 | 91.8 Ų | 91.8 | 60% | 0.603 | 48% | 0.476 | S | S | * | . | trans | -102 | 92.8 | 171.7 | -64.4 | -163.8 | 9.5 | 0 | 0 | 111 | F736 C737 Q901 | F736-Q739 HydrophobicContact CB-CB 4.42Å; F736-Q739 HydrophobicContact CB-CG 4.08Å; F736-Q739 PolarHBondContact O-N 2.89Å; C737-Q739 PolarHBondContact O-N 2.8Å; Q739-Q901 PolarHBondContact O-OE1 2.9Å | ||
| 740 | P | 80.6 | Confident | 57.7 | Low | 25 Ų | 25 | 92.8 Ų | 92.8 | 16% | 0.162 | 47% | 0.474 | C | S | . | . | trans | -74.2 | 135.9 | -174.7 | 32.5 | -35.2 | 0 | 0 | 0 | 110.7 | G738 F742 P744 S766 P768 W769 | G738-P740 VanDerWaalsContact O-CD 3.24Å; G738-P740 WeakPolarHBondContact O-CD 3.49Å; P740-F742 VanDerWaalsContact C-N 3.31Å; P740-F742 WeakPolarHBondContact CB-O 3.42Å; P740-F742 PolarHBondContact O-N 2.76Å; P740-P744 HydrophobicContact CG-CG 4.34Å; P740-S766 WeakPolarHBondContact CB-O 3.36Å; P740-P768 HydrophobicContact CB-CG 3.81Å; P740-W769 HydrophobicContact CB-CH2 4.04Å; P740-W769 HydrophobicContact CB-CZ3 4.01Å; P740-W769 HydrophobicContact CG-CH2 3.93Å; P740-W769 HydrophobicContact CG-CZ3 4.31Å | ||
| 741 | F | 71.3 | Confident | 58.3 | Low | 111 Ų | 111 | 94.2 Ų | 94.2 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -56.8 | -46.2 | 176.6 | -172.4 | -86.6 | 0 | 0 | 0 | 111.3 | A898 | F741-A898 HydrophobicContact CB-CB 4.1Å; F741-A898 HydrophobicContact CD1-CB 4.1Å; F741-A898 HydrophobicContact CD2-CB 4.43Å; F741-A898 HydrophobicContact CG-CB 3.95Å |
| 742 | F | 78.5 | Confident | 59 | Low | 35 Ų | 35 | 94.1 Ų | 94.1 | 15% | 0.154 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -91.9 | 119.2 | 171.8 | -55.9 | -78.5 | 0 | 0 | 0 | 109.6 | P740 H765 S766 A898 | P740-F742 VanDerWaalsContact C-N 3.31Å; P740-F742 WeakPolarHBondContact CB-O 3.42Å; P740-F742 PolarHBondContact O-N 2.76Å; F742-H765 HydrophobicContact CD2-CB 3.64Å; F742-H765 HydrophobicContact CE2-CB 3.95Å; F742-S766 WeakPolarHBondContact O-CA 3.39Å; F742-S766 VanDerWaalsContact O-CB 3.27Å; F742-S766 WeakPolarHBondContact O-CB 3.15Å; F742-A898 HydrophobicContact CE2-CB 4.06Å |
| 743 | K | 78 | Confident | 59.7 | Low | 154 Ų | 154 | 90.2 Ų | 90.2 | 67% | 0.67 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 137 | -177.7 | -66.2 | -172.2 | 177.3 | -173.8 | 0 | 112.4 | ||
| 744 | P | 82.2 | Confident | 60 | Low | 22 Ų | 22 | 89.4 Ų | 89.4 | 14% | 0.143 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 165 | 167.4 | -27.6 | 35.6 | 0 | 0 | 0 | 113.6 | P740 F746 L920 | P740-P744 HydrophobicContact CG-CG 4.34Å; P744-F746 HydrophobicContact CB-CE2 4.21Å; P744-L920 HydrophobicContact CB-CD1 3.37Å; P744-L920 HydrophobicContact CG-CD1 3.9Å |
| 745 | I | 75.6 | Confident | 60.2 | Low | 77 Ų | 77 | 86.4 Ų | 86.4 | 40% | 0.395 | 44% | 0.441 | S | S | . | . | trans | -104.5 | 108.8 | -179.8 | -52.5 | 171.7 | 0 | 0 | 0 | 108.9 | S747 I760 R763 Q938 | I745-S747 PolarHBondContact O-N 2.87Å; I745-I760 HydrophobicContact CB-CD1 3.72Å; I745-I760 HydrophobicContact CD1-CD1 4.39Å; I745-I760 HydrophobicContact CG2-CD1 3.59Å; I745-R763 HydrophobicContact CD1-CB 4.36Å; I745-R763 HydrophobicContact CG1-CB 4.46Å; I745-Q938 VanDerWaalsContact N-OE1 3.09Å | ||
| 746 | F | 68.1 | Low | 60.4 | Low | 127 Ų | 127 | 87.3 Ų | 87.3 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | trans | -88.2 | 90.8 | 171.7 | -66.3 | -91.1 | 0 | 0 | 0 | 109.2 | P744 T918 L920 Q940 | P744-F746 HydrophobicContact CB-CE2 4.21Å; F746-T918 HydrophobicContact CD1-CG2 4.22Å; F746-T918 HydrophobicContact CE1-CG2 4.32Å; F746-L920 HydrophobicContact CD1-CD1 4.45Å; F746-L920 HydrophobicContact CD1-CD2 4.19Å; F746-L920 HydrophobicContact CD1-CG 4.39Å; F746-L920 HydrophobicContact CE1-CD1 3.74Å; F746-L920 HydrophobicContact CE1-CD2 4.04Å; F746-L920 HydrophobicContact CE1-CG 3.74Å; F746-L920 HydrophobicContact CE2-CD1 4.03Å; F746-L920 HydrophobicContact CZ-CD1 3.49Å; F746-L920 VanDerWaalsContact CZ-CD1 3.49Å; F746-L920 HydrophobicContact CZ-CG 4.03Å; F746-Q940 VanDerWaalsContact CA-OE1 3.25Å | ||
| 747 | S | 58 | Low | 59.9 | Low | 37 Ų | 37 | 84.7 Ų | 84.7 | 26% | 0.259 | 44% | 0.44 | S | S | . | . | trans | -99.9 | 137.9 | 177 | -177 | 0 | 0 | 0 | 0 | 111 | I745 E749 Q940 | I745-S747 PolarHBondContact O-N 2.87Å; S747-E749 PolarHBondContact OG-N 3.39Å; S747-E749 PolarHBondContact OG-O 3.42Å; S747-Q940 PolarHBondContact O-OE1 3.11Å | ||
| 748 | R | 48.1 | Very low | 58.7 | Low | 224 Ų | 224 | 86.1 Ų | 86.1 | 85% | 0.845 | 45% | 0.446 | S | S | * | . | trans | -96 | -9.5 | 163.9 | -77.1 | -172.3 | 173.2 | -169.8 | -3.5 | 113.3 | ||||
| 749 | E | 46.1 | Very low | 58.3 | Low | 148 Ų | 148 | 84.9 Ų | 84.9 | 69% | 0.692 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -84 | 121.7 | -177.7 | -68.7 | -174.8 | 163.9 | 0 | 0 | 110.5 | S747 Q751 | S747-E749 PolarHBondContact OG-N 3.39Å; S747-E749 PolarHBondContact OG-O 3.42Å; E749-Q751 VanDerWaalsContact C-N 3.25Å; E749-Q751 PolarHBondContact O-N 2.97Å |
| 750 | D | 42.9 | Very low | 58.4 | Low | 117 Ų | 117 | 79.8 Ų | 79.8 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | trans | -62 | 81.3 | 171.3 | -74.3 | -43.9 | 0 | 0 | 0 | 110.6 | A752 | D750-A752 VanDerWaalsContact C-N 3.28Å; D750-A752 PolarHBondContact O-N 3.22Å | ||
| 751 | Q | 41.9 | Very low | 58.5 | Low | 112 Ų | 112 | 81.4 Ų | 81.4 | 52% | 0.523 | 42% | 0.415 | S | S | . | . | trans | -77.9 | 85.6 | 167.2 | -64.9 | -132.3 | -17.8 | 0 | 0 | 108.6 | E749 G753 I760 | E749-Q751 VanDerWaalsContact C-N 3.25Å; E749-Q751 PolarHBondContact O-N 2.97Å; Q751-G753 PolarHBondContact O-N 3.3Å; Q751-I760 HydrophobicContact CB-CG2 4.04Å | ||
| 752 | A | 40.7 | Very low | 59.1 | Low | 94 Ų | 94 | 76.3 Ų | 76.3 | 78% | 0.777 | 39% | 0.393 | S | S | * | . | trans | -67 | 35 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D750 | D750-A752 VanDerWaalsContact C-N 3.28Å; D750-A752 PolarHBondContact O-N 3.22Å | ||
| 753 | G | 40.5 | Very low | 59.3 | Low | 42 Ų | 42 | 80 Ų | 80 | 43% | 0.433 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -91.3 | 136.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q751 R755 | Q751-G753 PolarHBondContact O-N 3.3Å; G753-R755 WeakPolarHBondContact O-CB 3.49Å; G753-R755 WeakPolarHBondContact O-CG 3.44Å; G753-R755 PolarHBondContact O-N 2.81Å |
| 754 | N | 42.3 | Very low | 59.6 | Low | 89 Ų | 89 | 74.1 Ų | 74.1 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -37.7 | 81.6 | -176.6 | -57.4 | 2.1 | 0 | 0 | 0 | 115.8 | L927 D929 | N754-L927 WeakPolarHBondContact O-CD1 3.44Å; N754-D929 HydrophobicContact CB-CB 4.35Å; N754-D929 WeakPolarHBondContact ND2-CB 3.29Å; N754-D929 PolarHBondContact ND2-OD2 2.88Å |
| 755 | R | 40.5 | Very low | 59.8 | Low | 71 Ų | 71 | 74.8 Ų | 74.8 | 27% | 0.268 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -136 | 177.7 | -178.6 | -66.7 | -179.1 | 162.7 | 165.8 | -8.3 | 109.1 | G753 S757 G759 E761 L928 Q937 | G753-R755 WeakPolarHBondContact O-CB 3.49Å; G753-R755 WeakPolarHBondContact O-CG 3.44Å; G753-R755 PolarHBondContact O-N 2.81Å; R755-S757 PolarHBondContact O-N 2.93Å; R755-G759 VanDerWaalsContact CB-O 3.26Å; R755-G759 WeakPolarHBondContact CB-O 3.48Å; R755-E761 VanDerWaalsContact CZ-CB 3.42Å; R755-E761 IonicContact CZ-OE2 3.39Å; R755-E761 IonicContact NH2-OE2 2.67Å; R755-E761 PolarHBondContact NH2-OE2 3.05Å; R755-L928 PolarHBondContact O-N 3.32Å; R755-Q937 HydrophobicContact CB-CG 4.44Å |
| 756 | I | 49.3 | Very low | 60.3 | Low | 38 Ų | 38 | 71.1 Ų | 71.1 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -48 | 128.4 | 172.3 | -68.8 | 175.6 | 0 | 0 | 0 | 106.6 | N758 G759 Q937 | I756-N758 PolarHBondContact O-N 2.91Å; I756-G759 VanDerWaalsContact O-CA 3.28Å; I756-G759 WeakPolarHBondContact O-CA 3.29Å; I756-G759 PolarHBondContact O-N 3.33Å; I756-Q937 HydrophobicContact CB-CB 4.35Å; I756-Q937 HydrophobicContact CD1-CB 3.78Å; I756-Q937 HydrophobicContact CG1-CB 3.8Å; I756-Q937 HydrophobicContact CG1-CG 4.34Å |
| 757 | S | 48.3 | Very low | 61.4 | Low | 68 Ų | 68 | 65.6 Ų | 65.6 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -31.3 | 109 | -166.1 | -169.4 | 0 | 0 | 0 | 0 | 114.7 | R755 | R755-S757 PolarHBondContact O-N 2.93Š|
| 758 | N | 50.9 | Low | 63 | Low | 60 Ų | 60 | 64 Ų | 64 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 16.3 | -177.2 | -51 | -22.8 | 0 | 0 | 0 | 117 | I756 F939 | I756-N758 PolarHBondContact O-N 2.91Å; N758-F939 HydrophobicContact CB-CD2 4.27Å; N758-F939 HydrophobicContact CB-CE2 3.77Å; N758-F939 WeakPolarHBondContact O-CD2 3.02Å |
| 759 | G | 65.3 | Low | 65.1 | Low | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | trans | -92.2 | 173 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R755 I756 Q938 | R755-G759 VanDerWaalsContact CB-O 3.26Å; R755-G759 WeakPolarHBondContact CB-O 3.48Å; I756-G759 VanDerWaalsContact O-CA 3.28Å; I756-G759 WeakPolarHBondContact O-CA 3.29Å; I756-G759 PolarHBondContact O-N 3.33Å; G759-Q938 CarbonylContact C-O 3.57Å; G759-Q938 WeakPolarHBondContact CA-O 3.21Å | ||
| 760 | I | 77.6 | Confident | 67.4 | Low | 22 Ų | 22 | 49 Ų | 49 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 165.2 | 176.8 | 56.9 | 175.7 | 0 | 0 | 0 | 109.7 | I745 Q751 A762 Q937 Q938 | I745-I760 HydrophobicContact CB-CD1 3.72Å; I745-I760 HydrophobicContact CD1-CD1 4.39Å; I745-I760 HydrophobicContact CG2-CD1 3.59Å; Q751-I760 HydrophobicContact CB-CG2 4.04Å; I760-A762 PolarHBondContact O-N 3.12Å; I760-Q937 CarbonylContact O-C 3.58Å; I760-Q937 WeakPolarHBondContact O-CA 3.33Å; I760-Q937 PolarHBondContact O-OE1 2.79Å; I760-Q938 HydrophobicContact CD1-CG 4.45Å; I760-Q938 HydrophobicContact CG1-CG 3.73Å; I760-Q938 PolarHBondContact N-O 2.68Å; I760-Q938 PolarHBondContact O-N 3.45Å; I760-Q938 VanDerWaalsContact O-O 3.08Å |
| 761 | E | 81.7 | Confident | 69.9 | Low | 60 Ų | 60 | 43.4 Ų | 43.4 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 136.2 | 172.8 | 172.7 | 164.9 | 176.5 | 0 | 0 | 109.7 | R755 H854 T935 Q937 Q938 | R755-E761 VanDerWaalsContact CZ-CB 3.42Å; R755-E761 IonicContact CZ-OE2 3.39Å; R755-E761 IonicContact NH2-OE2 2.67Å; R755-E761 PolarHBondContact NH2-OE2 3.05Å; E761-H854 IonicContact OE1-CD2 2.74Å; E761-H854 IonicContact OE1-CE1 3.85Å; E761-H854 IonicContact OE1-NE2 2.7Å; E761-H854 PolarHBondContact OE1-NE2 3.09Å; E761-T935 VanDerWaalsContact CD-OG1 3.31Å; E761-T935 VanDerWaalsContact OE1-CB 3.3Å; E761-T935 WeakPolarHBondContact OE1-CB 3.39Å; E761-T935 VanDerWaalsContact OE1-CG2 3.27Å; E761-T935 WeakPolarHBondContact OE1-CG2 3.43Å; E761-T935 PolarHBondContact OE1-OG1 2.92Å; E761-T935 PolarHBondContact OE2-OG1 3.45Å; E761-Q937 VanDerWaalsContact CA-OE1 3.32Å; E761-Q938 PolarHBondContact O-NE2 3.14Å |
| 762 | A | 84.5 | Confident | 72.4 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 139.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | I760 A764 H854 L936 Q938 | I760-A762 PolarHBondContact O-N 3.12Å; A762-A764 PolarHBondContact O-N 3.28Å; A762-H854 PolarHBondContact O-CE1 2.63Å; A762-L936 HydrophobicContact CB-CB 4.05Å; A762-L936 HydrophobicContact CB-CD2 3.83Å; A762-L936 HydrophobicContact CB-CG 3.72Å; A762-L936 WeakPolarHBondContact CB-O 3.31Å; A762-L936 PolarHBondContact N-O 3.34Å; A762-Q938 HydrophobicContact CB-CB 4.32Å; A762-Q938 HydrophobicContact CB-CG 4.47Å |
| 763 | R | 83.8 | Confident | 74.9 | Confident | 114 Ų | 114 | 34.1 Ų | 34.1 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -61.5 | 132.2 | 165 | -171.9 | 177.6 | -166.2 | 170.7 | 4.1 | 106.7 | I745 H765 S766 | I745-R763 HydrophobicContact CD1-CB 4.36Å; I745-R763 HydrophobicContact CG1-CB 4.46Å; R763-H765 PolarHBondContact O-N 2.91Å; R763-S766 PolarHBondContact N-OG 3.35Å; R763-S766 WeakPolarHBondContact O-CB 3.42Å; R763-S766 PolarHBondContact O-N 3.23Å; R763-S766 PolarHBondContact O-OG 3.31Å |
| 764 | A | 84.3 | Confident | 77.3 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 24% | 0.24 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 132.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A762 S766 H854 | A762-A764 PolarHBondContact O-N 3.28Å; A764-S766 PolarHBondContact O-N 3.34Å; A764-S766 VanDerWaalsContact O-N 3.14Å; A764-H854 HydrophobicContact CB-CB 4.17Å |
| 765 | H | 84.8 | Confident | 79.4 | Confident | 36 Ų | 36 | 28.5 Ų | 28.5 | 17% | 0.167 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 12.7 | -178.4 | -45.2 | -61.8 | 0 | 0 | 0 | 116.4 | F742 R763 H767 G852 A899 | F742-H765 HydrophobicContact CD2-CB 3.64Å; F742-H765 HydrophobicContact CE2-CB 3.95Å; R763-H765 PolarHBondContact O-N 2.91Å; H765-H767 VanDerWaalsContact C-N 3.26Å; H765-H767 PolarHBondContact O-N 2.83Å; H765-G852 PolarHBondContact CE1-O 2.76Å; H765-G852 VanDerWaalsContact CE1-O 3.23Å; H765-G852 PolarHBondContact ND1-O 3.19Å; H765-A899 HydrophobicContact CB-CB 4.1Å; H765-A899 WeakPolarHBondContact ND1-CB 3.45Å |
| 766 | S | 87 | Confident | 81.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -75.1 | -13 | 176.8 | 60.9 | 0 | 0 | 0 | 0 | 115.6 | P740 F742 R763 A764 P768 | P740-S766 WeakPolarHBondContact CB-O 3.36Å; F742-S766 WeakPolarHBondContact O-CA 3.39Å; F742-S766 VanDerWaalsContact O-CB 3.27Å; F742-S766 WeakPolarHBondContact O-CB 3.15Å; R763-S766 PolarHBondContact N-OG 3.35Å; R763-S766 WeakPolarHBondContact O-CB 3.42Å; R763-S766 PolarHBondContact O-N 3.23Å; R763-S766 PolarHBondContact O-OG 3.31Å; A764-S766 PolarHBondContact O-N 3.34Å; A764-S766 VanDerWaalsContact O-N 3.14Å; S766-P768 VanDerWaalsContact C-CD 3.41Å; S766-P768 WeakPolarHBondContact O-CD 3.49Å |
| 767 | H | 91.2 | Very high | 82.2 | Confident | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -121.4 | 69.7 | 173.2 | -64 | 65.4 | 0 | 0 | 0 | 107.4 | H765 W769 Q770 L936 Q938 | H765-H767 VanDerWaalsContact C-N 3.26Å; H765-H767 PolarHBondContact O-N 2.83Å; H767-W769 PolarHBondContact O-N 3.41Å; H767-W769 VanDerWaalsContact O-N 3.14Å; H767-Q770 HydrophobicContact CB-CB 4.19Å; H767-Q770 WeakPolarHBondContact O-CB 3.47Å; H767-Q770 PolarHBondContact O-N 3.24Å; H767-L936 HydrophobicContact CB-CD2 4.27Å; H767-Q938 PolarHBondContact CE1-OE1 3.29Å |
| 768 | P | 91.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -10.3 | -168 | 29.8 | -36.7 | 0 | 0 | 0 | 113.8 | P740 S766 A899 I900 Q901 | P740-P768 HydrophobicContact CB-CG 3.81Å; S766-P768 VanDerWaalsContact C-CD 3.41Å; S766-P768 WeakPolarHBondContact O-CD 3.49Å; P768-A899 WeakPolarHBondContact CA-O 3.42Å; P768-A899 WeakPolarHBondContact CB-O 3.47Å; P768-I900 WeakPolarHBondContact O-CA 3.4Å; P768-Q901 CarbonylContact C-O 3.55Å; P768-Q901 HydrophobicContact CB-CB 4.03Å; P768-Q901 HydrophobicContact CB-CG 4.06Å; P768-Q901 HydrophobicContact CG-CB 3.91Å; P768-Q901 HydrophobicContact CG-CG 4.12Å; P768-Q901 PolarHBondContact O-N 2.95Å; P768-Q901 VanDerWaalsContact O-N 3.1Å |
| 769 | W | 93.5 | Very high | 83.3 | Confident | 37 Ų | 37 | 34.6 Ų | 34.6 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -11.4 | 169.6 | 44.2 | 85.1 | 0 | 0 | 0 | 113.6 | P740 H767 A771 S787 L788 Q901 V903 | P740-W769 HydrophobicContact CB-CH2 4.04Å; P740-W769 HydrophobicContact CB-CZ3 4.01Å; P740-W769 HydrophobicContact CG-CH2 3.93Å; P740-W769 HydrophobicContact CG-CZ3 4.31Å; H767-W769 PolarHBondContact O-N 3.41Å; H767-W769 VanDerWaalsContact O-N 3.14Å; W769-A771 PolarHBondContact O-N 3.46Å; W769-S787 CarbonylContact O-C 3.51Å; W769-S787 WeakPolarHBondContact O-CA 3.47Å; W769-L788 PolarHBondContact O-N 3.17Å; W769-Q901 WeakPolarHBondContact CA-O 3.29Å; W769-Q901 VanDerWaalsContact CB-O 3.3Å; W769-Q901 WeakPolarHBondContact CB-O 3.45Å; W769-Q901 PolarHBondContact N-O 3.47Å; W769-V903 HydrophobicContact CB-CB 3.92Å; W769-V903 HydrophobicContact CB-CG1 4.41Å; W769-V903 HydrophobicContact CD2-CB 3.82Å; W769-V903 HydrophobicContact CD2-CG2 4.16Å; W769-V903 HydrophobicContact CE3-CB 4.15Å; W769-V903 HydrophobicContact CE3-CG2 4.47Å; W769-V903 HydrophobicContact CG-CB 3.72Å; W769-V903 HydrophobicContact CG-CG1 4.46Å; W769-V903 HydrophobicContact CG-CG2 4.41Å |
| 770 | Q | 94.4 | Very high | 83 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 122.5 | -174.6 | -169.7 | 77.7 | 27.9 | 0 | 0 | 111.3 | H767 A922 W924 L936 | H767-Q770 HydrophobicContact CB-CB 4.19Å; H767-Q770 WeakPolarHBondContact O-CB 3.47Å; H767-Q770 PolarHBondContact O-N 3.24Å; Q770-A922 PolarHBondContact NE2-O 3.03Å; Q770-W924 HydrophobicContact CB-CH2 4.38Å; Q770-W924 HydrophobicContact CG-CH2 3.49Å; Q770-W924 VanDerWaalsContact CG-CH2 3.49Å; Q770-W924 HydrophobicContact CG-CZ2 4.49Å; Q770-W924 HydrophobicContact CG-CZ3 3.56Å; Q770-L936 HydrophobicContact CB-CD2 4.34Å; Q770-L936 HydrophobicContact CG-CD1 3.91Å; Q770-L936 HydrophobicContact CG-CD2 4.13Å |
| 771 | A | 94.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | W769 G785 G786 I800 I849 Y850 L851 | W769-A771 PolarHBondContact O-N 3.46Å; A771-G785 WeakPolarHBondContact O-CA 3.32Å; A771-G786 PolarHBondContact N-O 2.9Å; A771-G786 PolarHBondContact O-N 3.08Å; A771-I800 HydrophobicContact CB-CD1 3.73Å; A771-I800 HydrophobicContact CB-CG1 4.49Å; A771-I800 HydrophobicContact CB-CG2 4.29Å; A771-I849 HydrophobicContact CB-CG2 4.44Å; A771-Y850 WeakPolarHBondContact CA-O 3.21Å; A771-L851 HydrophobicContact CB-CD2 3.7Å |
| 772 | L | 94.2 | Very high | 82.5 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.7 | 163.4 | 176.3 | 77.2 | 0 | 0 | 0 | 108.7 | V774 I849 Y850 L853 L856 W924 | L772-V774 HydrophobicContact CD2-CG2 3.85Å; L772-V774 HydrophobicContact CG-CG2 3.94Å; L772-I849 CarbonylContact O-C 3.47Å; L772-I849 WeakPolarHBondContact O-CA 3.34Å; L772-Y850 HydrophobicContact CD2-CD2 4.16Å; L772-Y850 PolarHBondContact N-O 3.12Å; L772-Y850 PolarHBondContact O-N 2.86Å; L772-L853 HydrophobicContact CD2-CD2 3.98Å; L772-L856 HydrophobicContact CD2-CD2 3.53Å; L772-W924 HydrophobicContact CB-CE3 4.2Å; L772-W924 HydrophobicContact CB-CH2 4.36Å; L772-W924 HydrophobicContact CB-CZ3 3.84Å; L772-W924 HydrophobicContact CD1-CE3 4Å; L772-W924 HydrophobicContact CD1-CZ3 4.47Å |
| 773 | I | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.9 | 176 | -59.9 | 157.8 | 0 | 0 | 0 | 107.8 | I775 L783 C784 I800 T802 V847 I888 | I773-I775 HydrophobicContact CG2-CD1 4.34Å; I773-I775 HydrophobicContact CG2-CG1 4.04Å; I773-L783 WeakPolarHBondContact O-CA 3.24Å; I773-C784 HydrophobicContact CB-CB 4.16Å; I773-C784 PolarHBondContact N-O 2.91Å; I773-C784 PolarHBondContact O-N 3.11Å; I773-I800 HydrophobicContact CD1-CG2 4.28Å; I773-T802 HydrophobicContact CD1-CG2 3.92Å; I773-T802 VanDerWaalsContact CD1-OG1 3.29Å; I773-T802 WeakPolarHBondContact CD1-OG1 3.1Å; I773-V847 HydrophobicContact CG2-CG1 3.72Å; I773-I888 HydrophobicContact CD1-CD1 3.59Å; I773-I888 HydrophobicContact CG1-CD1 3.81Å; I773-I888 HydrophobicContact CG2-CD1 4.1Å |
| 774 | V | 90.8 | Very high | 82.8 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.4 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | L772 Q776 L781 G782 L783 I848 Y850 | L772-V774 HydrophobicContact CD2-CG2 3.85Å; L772-V774 HydrophobicContact CG-CG2 3.94Å; V774-Q776 HydrophobicContact CG1-CG 4.15Å; V774-L781 HydrophobicContact CG1-CD1 3.51Å; V774-L781 HydrophobicContact CG1-CG 4.46Å; V774-G782 WeakPolarHBondContact CA-O 3.33Å; V774-L783 HydrophobicContact CB-CD2 4.27Å; V774-L783 HydrophobicContact CG1-CD2 4.02Å; V774-L783 HydrophobicContact CG2-CD2 3.76Å; V774-I848 HydrophobicContact CB-CB 4.42Å; V774-I848 PolarHBondContact N-O 3.16Å; V774-I848 PolarHBondContact O-N 3.12Å; V774-Y850 HydrophobicContact CB-CE2 4.28Å; V774-Y850 HydrophobicContact CG2-CD2 3.87Å; V774-Y850 HydrophobicContact CG2-CE2 3.67Å |
| 775 | I | 87 | Confident | 83 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.7 | -176.5 | -55.1 | 170.8 | 0 | 0 | 0 | 108 | I773 L781 G782 C806 F807 F809 A842 H846 V847 | I773-I775 HydrophobicContact CG2-CD1 4.34Å; I773-I775 HydrophobicContact CG2-CG1 4.04Å; I775-L781 WeakPolarHBondContact O-CA 3.09Å; I775-G782 PolarHBondContact N-O 2.86Å; I775-G782 PolarHBondContact O-N 2.9Å; I775-C806 HydrophobicContact CD1-CB 4.24Å; I775-C806 WeakPolarHBondContact CD1-O 3.5Å; I775-F807 HydrophobicContact CD1-CD1 3.73Å; I775-F807 HydrophobicContact CD1-CE1 3.94Å; I775-F807 HydrophobicContact CD1-CG 4.47Å; I775-F809 HydrophobicContact CB-CZ 4.23Å; I775-F809 HydrophobicContact CG2-CE2 3.84Å; I775-F809 HydrophobicContact CG2-CZ 3.68Å; I775-A842 HydrophobicContact CG2-CB 3.65Å; I775-H846 WeakPolarHBondContact CA-O 3.42Å; I775-V847 HydrophobicContact CG1-CG1 4.44Å; I775-V847 HydrophobicContact CG1-CG2 4.35Å |
| 776 | Q | 78.9 | Confident | 83.4 | Confident | 102 Ų | 102 | 35.7 Ų | 35.7 | 48% | 0.477 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 88.2 | -173.4 | -66.8 | -172 | -31.9 | 0 | 0 | 110.5 | V774 L781 H846 I848 | V774-Q776 HydrophobicContact CG1-CG 4.15Å; Q776-L781 HydrophobicContact CG-CD1 3.72Å; Q776-H846 PolarHBondContact N-O 2.81Å; Q776-H846 WeakPolarHBondContact O-CB 3.49Å; Q776-I848 HydrophobicContact CG-CD1 4.44Å; Q776-I848 VanDerWaalsContact OE1-CD1 3.32Å |
| 777 | Q | 69.1 | Low | 83.8 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 135.7 | -177.1 | -163.7 | -178.4 | 6.4 | 0 | 0 | 111 | H779 V780 | Q777-H779 VanDerWaalsContact C-N 3.26Å; Q777-H779 PolarHBondContact O-N 3.44Å; Q777-H779 VanDerWaalsContact O-N 3.15Å; Q777-V780 PolarHBondContact N-O 3.12Å; Q777-V780 WeakPolarHBondContact O-CA 3.46Å; Q777-V780 WeakPolarHBondContact O-CB 3.35Å; Q777-V780 PolarHBondContact O-N 3.05Å |
| 778 | F | 62.4 | Low | 84 | Confident | 51 Ų | 51 | 36.9 Ų | 36.9 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.3 | 178.5 | -51.2 | -53.8 | 0 | 0 | 0 | 115 | V780 L833 E837 | F778-V780 PolarHBondContact O-N 3.4Å; F778-V780 VanDerWaalsContact O-N 3.13Å; F778-L833 HydrophobicContact CD1-CD2 4.07Å; F778-L833 HydrophobicContact CE1-CD2 4.43Å; F778-E837 HydrophobicContact CE1-CG 4.22Å; F778-E837 HydrophobicContact CZ-CB 4.03Å; F778-E837 HydrophobicContact CZ-CG 4.13Å; F778-E837 WeakPolarHBondContact CZ-OE2 3.28Å |
| 779 | H | 59.4 | Low | 83.9 | Confident | 204 Ų | 204 | 37.1 Ų | 37.1 | 94% | 0.944 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 0.4 | -172.3 | -56 | -85.7 | 0 | 0 | 0 | 116.1 | Q777 | Q777-H779 VanDerWaalsContact C-N 3.26Å; Q777-H779 PolarHBondContact O-N 3.44Å; Q777-H779 VanDerWaalsContact O-N 3.15Å |
| 780 | V | 59.3 | Low | 83.5 | Confident | 50 Ų | 50 | 36.3 Ų | 36.3 | 30% | 0.303 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.5 | 170.8 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | Q777 F778 F809 | Q777-V780 PolarHBondContact N-O 3.12Å; Q777-V780 WeakPolarHBondContact O-CA 3.46Å; Q777-V780 WeakPolarHBondContact O-CB 3.35Å; Q777-V780 PolarHBondContact O-N 3.05Å; F778-V780 PolarHBondContact O-N 3.4Å; F778-V780 VanDerWaalsContact O-N 3.13Å; V780-F809 HydrophobicContact CB-CE1 4.38Å; V780-F809 HydrophobicContact CG1-CD1 4.15Å; V780-F809 HydrophobicContact CG1-CE1 3.83Å |
| 781 | L | 70.7 | Confident | 82.4 | Confident | 87 Ų | 87 | 42.6 Ų | 42.6 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 92.4 | 176.6 | -173.4 | 71.8 | 0 | 0 | 0 | 109.9 | V774 I775 Q776 | V774-L781 HydrophobicContact CG1-CD1 3.51Å; V774-L781 HydrophobicContact CG1-CG 4.46Å; I775-L781 WeakPolarHBondContact O-CA 3.09Å; Q776-L781 HydrophobicContact CG-CD1 3.72Å |
| 782 | G | 78.5 | Confident | 81 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 135.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | V774 I775 | V774-G782 WeakPolarHBondContact CA-O 3.33Å; I775-G782 PolarHBondContact N-O 2.86Å; I775-G782 PolarHBondContact O-N 2.9Å |
| 783 | L | 85.2 | Confident | 79.3 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.7 | 171.1 | -63.9 | -178.4 | 0 | 0 | 0 | 108.9 | I773 V774 | I773-L783 WeakPolarHBondContact O-CA 3.24Å; V774-L783 HydrophobicContact CB-CD2 4.27Å; V774-L783 HydrophobicContact CG1-CD2 4.02Å; V774-L783 HydrophobicContact CG2-CD2 3.76Å |
| 784 | C | 88.2 | Confident | 78.1 | Confident | 24 Ų | 24 | 57.5 Ų | 57.5 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 157.4 | 175.6 | -85 | 0 | 0 | 0 | 0 | 111.5 | I773 C806 | I773-C784 HydrophobicContact CB-CB 4.16Å; I773-C784 PolarHBondContact N-O 2.91Å; I773-C784 PolarHBondContact O-N 3.11Å; C784-C806 HydrophobicContact CB-CB 3.92Å; C784-C806 WeakPolarHBondContact CB-SG 3.42Å; C784-C806 WeakPolarHBondContact SG-CB 3.4Å; C784-C806 CovalentContact SG-SG 2.03Å; C784-C806 PolarHBondContact SG-SG 2.62Å |
| 785 | G | 90.4 | Very high | 77.3 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 154.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A771 T802 | A771-G785 WeakPolarHBondContact O-CA 3.32Å; G785-T802 PolarHBondContact O-OG1 3.39Å |
| 786 | G | 93.2 | Very high | 77 | Confident | 6 Ų | 6 | 62 Ų | 62 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 173.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A771 L801 | A771-G786 PolarHBondContact N-O 2.9Å; A771-G786 PolarHBondContact O-N 3.08Å; G786-L801 CarbonylContact C-O 3.4Å; G786-L801 WeakPolarHBondContact CA-O 3.15Å |
| 787 | S | 94.8 | Very high | 77.5 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.6 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 111 | W769 I789 I800 L801 | W769-S787 CarbonylContact O-C 3.51Å; W769-S787 WeakPolarHBondContact O-CA 3.47Å; S787-I789 PolarHBondContact O-N 2.76Å; S787-I800 CarbonylContact O-C 3.52Å; S787-I800 VanDerWaalsContact O-CA 3.31Å; S787-I800 WeakPolarHBondContact O-CA 3.34Å; S787-L801 PolarHBondContact N-O 2.88Å; S787-L801 PolarHBondContact O-N 2.7Å |
| 788 | L | 94.5 | Very high | 78.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 119.3 | 166.8 | -172.9 | 73.2 | 0 | 0 | 0 | 108.5 | W769 I800 L851 L890 Y896 I900 G902 V903 | W769-L788 PolarHBondContact O-N 3.17Å; L788-I800 HydrophobicContact CB-CG1 4.42Å; L788-I800 HydrophobicContact CD1-CG1 3.98Å; L788-L851 HydrophobicContact CB-CD2 4.11Å; L788-L851 HydrophobicContact CD1-CD1 4.11Å; L788-L851 HydrophobicContact CD2-CD1 4.35Å; L788-L890 HydrophobicContact CD1-CD1 4.13Å; L788-Y896 HydrophobicContact CD2-CE1 4.08Å; L788-I900 HydrophobicContact CD2-CG2 3.61Å; L788-G902 WeakPolarHBondContact O-CA 3.41Å; L788-V903 PolarHBondContact O-N 3.44Å |
| 789 | I | 90 | Very high | 80 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.4 | -178.9 | 56.6 | 163.7 | 0 | 0 | 0 | 110.7 | S787 S797 V799 L801 L887 V903 L905 | S787-I789 PolarHBondContact O-N 2.76Å; I789-S797 WeakPolarHBondContact O-CB 3.47Å; I789-S797 PolarHBondContact O-OG 2.99Å; I789-V799 HydrophobicContact CD1-CB 3.93Å; I789-V799 HydrophobicContact CD1-CG1 3.7Å; I789-V799 HydrophobicContact CG1-CB 3.79Å; I789-V799 HydrophobicContact CG1-CG1 3.99Å; I789-V799 WeakPolarHBondContact CG1-O 3.47Å; I789-V799 PolarHBondContact N-O 2.83Å; I789-L801 HydrophobicContact CG2-CB 3.86Å; I789-L887 HydrophobicContact CD1-CD2 4.22Å; I789-V903 HydrophobicContact CG2-CG1 4.37Å; I789-L905 HydrophobicContact CB-CD2 4.42Å; I789-L905 HydrophobicContact CB-CG 4.28Å; I789-L905 HydrophobicContact CD1-CD1 3.99Å; I789-L905 HydrophobicContact CG2-CD2 3.86Å; I789-L905 HydrophobicContact CG2-CG 4.27Å |
| 790 | H | 84.7 | Confident | 81.6 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.1 | 169.9 | -175.5 | 75.8 | 0 | 0 | 0 | 109.8 | C737 N793 E794 Y896 V903 | C737-H790 HydrophobicContact CB-CB 3.49Å; C737-H790 VanDerWaalsContact CB-CB 3.49Å; H790-N793 VanDerWaalsContact NE2-CA 3.3Å; H790-N793 WeakPolarHBondContact NE2-CA 3.43Å; H790-E794 PolarHBondContact CE1-O 2.93Å; H790-E794 PolarHBondContact ND1-O 3.43Å; H790-Y896 VanDerWaalsContact CA-OH 3.29Å; H790-Y896 WeakPolarHBondContact CA-OH 3.38Å; H790-Y896 WeakPolarHBondContact CB-OH 3.43Å; H790-Y896 AromaticContact CE1-CE2 3.97Å; H790-Y896 AromaticContact ND1-CE2 3.29Å; H790-Y896 VanDerWaalsContact ND1-CE2 3.29Å; H790-Y896 WeakPolarHBondContact ND1-CE2 3.46Å; H790-Y896 AromaticContact ND1-CZ 3.51Å; H790-Y896 PolarHBondContact ND1-OH 3.2Å; H790-V903 WeakPolarHBondContact CB-O 3.36Å; H790-V903 PolarHBondContact N-O 2.85Å |
| 791 | W | 71.4 | Confident | 83.3 | Confident | 153 Ų | 153 | 46.5 Ų | 46.5 | 58% | 0.58 | 25% | 0.25 | S | S | * | . | trans | -113.6 | -12 | -162.9 | 166.7 | -117.2 | 0 | 0 | 0 | 115 | ||||
| 792 | K | 65.6 | Low | 84.3 | Confident | 89 Ų | 89 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -143.6 | 8.9 | -170.2 | -64.2 | 173.1 | 176.9 | 172.8 | 0 | 117.6 | E794 E893 | K792-E794 HydrophobicContact CB-CB 4.12Å; K792-E794 HydrophobicContact CB-CG 3.82Å; K792-E794 HydrophobicContact CD-CG 4.33Å; K792-E794 WeakPolarHBondContact CD-OE1 3.43Å; K792-E794 WeakPolarHBondContact CD-OE2 3.11Å; K792-E794 IonicContact NZ-OE1 3.54Å; K792-E794 IonicContact NZ-OE2 3.72Å; K792-E794 PolarHBondContact NZ-OE2 3.45Å; K792-E794 VanDerWaalsContact NZ-OE2 3.09Å; K792-E794 PolarHBondContact O-N 2.9Å; K792-E794 VanDerWaalsContact O-N 3.11Å; K792-E893 IonicContact NZ-OE1 3.88Å; K792-E893 PolarHBondContact NZ-OE1 2.87Å |
| 793 | N | 59.1 | Low | 84.8 | Confident | 154 Ų | 154 | 43.2 Ų | 43.2 | 82% | 0.824 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 58.9 | 10.8 | -162.8 | -65.9 | -22.7 | 0 | 0 | 0 | 114.2 | H790 | H790-N793 VanDerWaalsContact NE2-CA 3.3Å; H790-N793 WeakPolarHBondContact NE2-CA 3.43Å |
| 794 | E | 67.5 | Low | 84.8 | Confident | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -87.1 | 149.6 | 175 | -70.7 | 171.5 | -173.3 | 0 | 0 | 110.5 | H790 K792 A796 | H790-E794 PolarHBondContact CE1-O 2.93Å; H790-E794 PolarHBondContact ND1-O 3.43Å; K792-E794 HydrophobicContact CB-CB 4.12Å; K792-E794 HydrophobicContact CB-CG 3.82Å; K792-E794 HydrophobicContact CD-CG 4.33Å; K792-E794 WeakPolarHBondContact CD-OE1 3.43Å; K792-E794 WeakPolarHBondContact CD-OE2 3.11Å; K792-E794 IonicContact NZ-OE1 3.54Å; K792-E794 IonicContact NZ-OE2 3.72Å; K792-E794 PolarHBondContact NZ-OE2 3.45Å; K792-E794 VanDerWaalsContact NZ-OE2 3.09Å; K792-E794 PolarHBondContact O-N 2.9Å; K792-E794 VanDerWaalsContact O-N 3.11Å; E794-A796 PolarHBondContact O-N 2.82Å |
| 795 | N | 72.8 | Confident | 84.6 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 52% | 0.524 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -73 | 29.6 | 174.1 | 64.6 | -14.7 | 0 | 0 | 0 | 113.3 | T895 Y896 | N795-T895 CarbonylContact O-C 3.56Å; N795-T895 WeakPolarHBondContact O-CA 3.36Å; N795-Y896 WeakPolarHBondContact O-CB 3.38Å; N795-Y896 PolarHBondContact O-N 3.14Å |
| 796 | A | 82.2 | Confident | 84.3 | Confident | 9 Ų | 9 | 42 Ų | 42 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 164.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E794 E893 V894 T895 Y896 | E794-A796 PolarHBondContact O-N 2.82Å; A796-E893 HydrophobicContact CB-CB 4.49Å; A796-V894 CarbonylContact C-O 3.6Å; A796-V894 WeakPolarHBondContact CA-O 3.26Å; A796-T895 HydrophobicContact CB-CG2 4.22Å; A796-Y896 VanDerWaalsContact C-CE1 3.41Å; A796-Y896 PolarHBondContact O-OH 2.84Å |
| 797 | S | 88.7 | Confident | 83.8 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 148 | 166.9 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | I789 V799 V894 | I789-S797 WeakPolarHBondContact O-CB 3.47Å; I789-S797 PolarHBondContact O-OG 2.99Å; S797-V799 PolarHBondContact OG-N 2.77Å; S797-V799 VanDerWaalsContact OG-N 3.13Å; S797-V894 PolarHBondContact N-O 2.64Å; S797-V894 WeakPolarHBondContact O-CB 3.24Å; S797-V894 PolarHBondContact O-N 3.11Å |
| 798 | D | 91.1 | Very high | 82.8 | Confident | 16 Ų | 16 | 41 Ų | 41 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 17.6 | 169.2 | 56 | 11.8 | 0 | 0 | 0 | 112.8 | K889 L890 E893 | D798-K889 WeakPolarHBondContact OD1-CE 3.4Å; D798-K889 IonicContact OD1-NZ 3.11Å; D798-K889 PolarHBondContact OD1-NZ 2.79Å; D798-K889 WeakPolarHBondContact OD2-CE 3.41Å; D798-K889 IonicContact OD2-NZ 3.63Å; D798-K889 PolarHBondContact OD2-NZ 2.91Å; D798-L890 HydrophobicContact CB-CB 4.14Å; D798-L890 WeakPolarHBondContact O-CB 3.25Å; D798-L890 WeakPolarHBondContact O-CG 3.35Å; D798-L890 PolarHBondContact O-N 3.28Å; D798-E893 HydrophobicContact CB-CB 4.33Å; D798-E893 HydrophobicContact CB-CG 3.61Å; D798-E893 WeakPolarHBondContact OD2-CG 3.49Å |
| 799 | V | 92.6 | Very high | 81.3 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.2 | -176 | -164.7 | 0 | 0 | 0 | 0 | 112.4 | I789 S797 L887 I888 K889 | I789-V799 HydrophobicContact CD1-CB 3.93Å; I789-V799 HydrophobicContact CD1-CG1 3.7Å; I789-V799 HydrophobicContact CG1-CB 3.79Å; I789-V799 HydrophobicContact CG1-CG1 3.99Å; I789-V799 WeakPolarHBondContact CG1-O 3.47Å; I789-V799 PolarHBondContact N-O 2.83Å; S797-V799 PolarHBondContact OG-N 2.77Å; S797-V799 VanDerWaalsContact OG-N 3.13Å; V799-L887 HydrophobicContact CG1-CB 4.37Å; V799-L887 HydrophobicContact CG1-CD2 3.86Å; V799-I888 WeakPolarHBondContact CA-O 3.32Å; V799-K889 HydrophobicContact CG2-CD 4.22Å |
| 800 | I | 94 | Very high | 79.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.5 | 174.6 | -71.3 | 174.4 | 0 | 0 | 0 | 110.3 | A771 I773 S787 L788 I849 L851 L887 I888 L890 | A771-I800 HydrophobicContact CB-CD1 3.73Å; A771-I800 HydrophobicContact CB-CG1 4.49Å; A771-I800 HydrophobicContact CB-CG2 4.29Å; I773-I800 HydrophobicContact CD1-CG2 4.28Å; S787-I800 CarbonylContact O-C 3.52Å; S787-I800 VanDerWaalsContact O-CA 3.31Å; S787-I800 WeakPolarHBondContact O-CA 3.34Å; L788-I800 HydrophobicContact CB-CG1 4.42Å; L788-I800 HydrophobicContact CD1-CG1 3.98Å; I800-I849 HydrophobicContact CD1-CB 4.42Å; I800-I849 HydrophobicContact CD1-CG1 4.32Å; I800-I849 HydrophobicContact CD1-CG2 3.3Å; I800-L851 HydrophobicContact CD1-CD2 4.12Å; I800-L887 CarbonylContact O-C 3.41Å; I800-L887 WeakPolarHBondContact O-CA 3.16Å; I800-I888 HydrophobicContact CB-CB 4.28Å; I800-I888 HydrophobicContact CG2-CD1 4.45Å; I800-I888 PolarHBondContact N-O 3.22Å; I800-I888 PolarHBondContact O-N 2.85Å; I800-L890 HydrophobicContact CD1-CD1 4.09Å; I800-L890 HydrophobicContact CD1-CD2 3.98Å; I800-L890 HydrophobicContact CD1-CG 4.42Å; I800-L890 HydrophobicContact CG1-CD1 4.27Å |
| 801 | L | 93.6 | Very high | 77.8 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 135.4 | 170.6 | -168.5 | 68.1 | 0 | 0 | 0 | 110.5 | G786 S787 I789 I885 L887 | G786-L801 CarbonylContact C-O 3.4Å; G786-L801 WeakPolarHBondContact CA-O 3.15Å; S787-L801 PolarHBondContact N-O 2.88Å; S787-L801 PolarHBondContact O-N 2.7Å; I789-L801 HydrophobicContact CG2-CB 3.86Å; L801-I885 HydrophobicContact CD1-CD1 3.93Å; L801-I885 HydrophobicContact CD1-CG1 3.75Å; L801-I885 HydrophobicContact CG-CG1 4.47Å; L801-L887 HydrophobicContact CB-CD2 4.42Å; L801-L887 HydrophobicContact CD1-CD2 3.54Å; L801-L887 HydrophobicContact CD1-CG 4.37Å |
| 802 | T | 92.6 | Very high | 76.8 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.086 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | -176.6 | 179.5 | -170.7 | 0 | 0 | 0 | 0 | 111 | I773 G785 F807 I885 A886 I888 | I773-T802 HydrophobicContact CD1-CG2 3.92Å; I773-T802 VanDerWaalsContact CD1-OG1 3.29Å; I773-T802 WeakPolarHBondContact CD1-OG1 3.1Å; G785-T802 PolarHBondContact O-OG1 3.39Å; T802-F807 HydrophobicContact CG2-CE2 3.71Å; T802-F807 HydrophobicContact CG2-CZ 3.9Å; T802-I885 CarbonylContact O-C 3.49Å; T802-I885 WeakPolarHBondContact O-CA 2.98Å; T802-A886 HydrophobicContact CG2-CB 4Å; T802-A886 PolarHBondContact N-O 2.77Å; T802-A886 PolarHBondContact O-N 3.23Å; T802-I888 HydrophobicContact CG2-CD1 4.13Å; T802-I888 HydrophobicContact CG2-CG1 4.11Å |
| 803 | A | 88.4 | Confident | 76 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | trans | -87.6 | 147.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C806 D884 | A803-C806 WeakPolarHBondContact O-CB 3.33Å; A803-D884 WeakPolarHBondContact CA-O 3.46Å | ||
| 804 | A | 85.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -74.7 | -33.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C806 F807 P873 F876 D884 A886 | A804-C806 PolarHBondContact O-N 3.37Å; A804-C806 VanDerWaalsContact O-N 3.09Å; A804-F807 PolarHBondContact O-N 2.97Å; A804-F807 VanDerWaalsContact O-N 3.12Å; A804-P873 HydrophobicContact CB-CB 3.84Å; A804-F876 HydrophobicContact CB-CB 3.56Å; A804-F876 HydrophobicContact CB-CD2 4.31Å; A804-F876 HydrophobicContact CB-CG 3.89Å; A804-D884 PolarHBondContact N-OD1 2.96Å; A804-A886 HydrophobicContact CB-CB 4.25Å |
| 805 | H | 85.1 | Confident | 74.5 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -60.4 | -22.2 | 178.1 | 79.8 | -102.2 | 0 | 0 | 0 | 113 | F807 N808 F876 D884 | H805-F807 PolarHBondContact O-N 3.06Å; H805-N808 PolarHBondContact O-N 3.47Å; H805-N808 VanDerWaalsContact O-N 3.08Å; H805-F876 HydrophobicContact CB-CE1 3.73Å; H805-F876 HydrophobicContact CB-CE2 4.16Å; H805-F876 HydrophobicContact CB-CZ 3.52Å; H805-D884 WeakPolarHBondContact CB-OD1 3.43Å; H805-D884 IonicContact CE1-OD2 2.74Å; H805-D884 IonicContact CG-OD1 3.86Å; H805-D884 IonicContact CG-OD2 2.72Å; H805-D884 PolarHBondContact N-OD1 2.89Å; H805-D884 VanDerWaalsContact ND1-CG 3.32Å; H805-D884 IonicContact ND1-OD1 2.71Å; H805-D884 PolarHBondContact ND1-OD1 2.92Å; H805-D884 VanDerWaalsContact ND1-OD1 3.11Å; H805-D884 IonicContact ND1-OD2 3.9Å; H805-D884 PolarHBondContact ND1-OD2 2.85Å |
| 806 | C | 83.9 | Confident | 73.3 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 8% | 0.081 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -54.2 | -33.7 | 175.3 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | I775 C784 A803 A804 | I775-C806 HydrophobicContact CD1-CB 4.24Å; I775-C806 WeakPolarHBondContact CD1-O 3.5Å; C784-C806 HydrophobicContact CB-CB 3.92Å; C784-C806 WeakPolarHBondContact CB-SG 3.42Å; C784-C806 WeakPolarHBondContact SG-CB 3.4Å; C784-C806 CovalentContact SG-SG 2.03Å; C784-C806 PolarHBondContact SG-SG 2.62Å; A803-C806 WeakPolarHBondContact O-CB 3.33Å; A804-C806 PolarHBondContact O-N 3.37Å; A804-C806 VanDerWaalsContact O-N 3.09Å |
| 807 | F | 82.3 | Confident | 71.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -93.9 | -7.2 | -177.7 | -52.4 | -77.5 | 0 | 0 | 0 | 113.3 | I775 T802 A804 H805 F809 Y841 A842 V847 W871 A886 I888 | I775-F807 HydrophobicContact CD1-CD1 3.73Å; I775-F807 HydrophobicContact CD1-CE1 3.94Å; I775-F807 HydrophobicContact CD1-CG 4.47Å; T802-F807 HydrophobicContact CG2-CE2 3.71Å; T802-F807 HydrophobicContact CG2-CZ 3.9Å; A804-F807 PolarHBondContact O-N 2.97Å; A804-F807 VanDerWaalsContact O-N 3.12Å; H805-F807 PolarHBondContact O-N 3.06Å; F807-F809 WeakPolarHBondContact O-CD2 3.48Å; F807-Y841 CarbonylContact O-C 3.57Å; F807-Y841 VanDerWaalsContact O-CA 3.23Å; F807-Y841 WeakPolarHBondContact O-CA 3.35Å; F807-A842 HydrophobicContact CB-CB 4.46Å; F807-A842 HydrophobicContact CD1-CB 4.28Å; F807-A842 PolarHBondContact O-N 2.93Å; F807-A842 VanDerWaalsContact O-N 3.09Å; F807-V847 HydrophobicContact CD1-CG2 4.01Å; F807-V847 HydrophobicContact CE1-CB 4.49Å; F807-V847 HydrophobicContact CE1-CG1 3.88Å; F807-V847 HydrophobicContact CE1-CG2 3.76Å; F807-W871 HydrophobicContact CB-CD2 4.39Å; F807-W871 HydrophobicContact CB-CE3 3.96Å; F807-W871 HydrophobicContact CB-CH2 3.41Å; F807-W871 VanDerWaalsContact CB-CH2 3.41Å; F807-W871 HydrophobicContact CB-CZ2 3.86Å; F807-W871 HydrophobicContact CB-CZ3 3.41Å; F807-W871 VanDerWaalsContact CB-CZ3 3.41Å; F807-W871 AromaticContact CD1-CD2 3.86Å; F807-W871 HydrophobicContact CD1-CD2 3.86Å; F807-W871 AromaticContact CD1-CE3 3.97Å; F807-W871 HydrophobicContact CD1-CE3 3.97Å; F807-W871 HydrophobicContact CD1-CG 4.31Å; F807-W871 HydrophobicContact CD1-CZ3 4.3Å; F807-W871 AromaticContact CD2-CD2 3.99Å; F807-W871 HydrophobicContact CD2-CD2 3.99Å; F807-W871 AromaticContact CD2-CE3 3.23Å; F807-W871 HydrophobicContact CD2-CE3 3.23Å; F807-W871 HydrophobicContact CD2-CH2 4.25Å; F807-W871 AromaticContact CD2-CZ3 3.35Å; F807-W871 HydrophobicContact CD2-CZ3 3.35Å; F807-W871 HydrophobicContact CE1-CD2 4.1Å; F807-W871 HydrophobicContact CE1-CE3 4.29Å; F807-W871 HydrophobicContact CE1-CG 4.13Å; F807-W871 HydrophobicContact CE2-CD2 4.2Å; F807-W871 AromaticContact CE2-CE3 3.6Å; F807-W871 HydrophobicContact CE2-CE3 3.6Å; F807-W871 HydrophobicContact CE2-CZ3 4.18Å; F807-W871 AromaticContact CG-CD2 3.8Å; F807-W871 HydrophobicContact CG-CD2 3.8Å; F807-W871 AromaticContact CG-CE3 3.42Å; F807-W871 HydrophobicContact CG-CE3 3.42Å; F807-W871 VanDerWaalsContact CG-CE3 3.42Å; F807-W871 AromaticContact CG-CH2 3.86Å; F807-W871 HydrophobicContact CG-CH2 3.86Å; F807-W871 HydrophobicContact CG-CZ2 4.17Å; F807-W871 AromaticContact CG-CZ3 3.41Å; F807-W871 HydrophobicContact CG-CZ3 3.41Å; F807-W871 VanDerWaalsContact CG-CZ3 3.41Å; F807-W871 HydrophobicContact CZ-CB 4.31Å; F807-W871 HydrophobicContact CZ-CD2 4.25Å; F807-W871 HydrophobicContact CZ-CE3 4.11Å; F807-W871 HydrophobicContact CZ-CG 4.29Å; F807-A886 HydrophobicContact CD2-CB 4.31Å; F807-A886 HydrophobicContact CE2-CB 3.81Å; F807-I888 HydrophobicContact CE1-CD1 4.5Å; F807-I888 HydrophobicContact CZ-CD1 3.88Å; F807-I888 HydrophobicContact CZ-CG1 3.84Å |
| 808 | N | 73.6 | Confident | 69.8 | Low | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -93.6 | 117.5 | -175.1 | -172.9 | -18.9 | 0 | 0 | 0 | 110.4 | H805 P810 Y841 F876 V878 | H805-N808 PolarHBondContact O-N 3.47Å; H805-N808 VanDerWaalsContact O-N 3.08Å; N808-P810 WeakPolarHBondContact O-CD 3.26Å; N808-Y841 HydrophobicContact CB-CD1 4.22Å; N808-Y841 HydrophobicContact CB-CE1 3.97Å; N808-F876 HydrophobicContact CB-CE1 4.42Å; N808-V878 VanDerWaalsContact ND2-CG2 3.3Å; N808-V878 WeakPolarHBondContact ND2-CG2 3.45Å |
| 809 | F | 63.5 | Low | 67.8 | Low | 39 Ų | 39 | 48.8 Ų | 48.8 | 17% | 0.171 | 26% | 0.255 | C | S | . | . | trans | -108.9 | 85.3 | -179.6 | -68.2 | -88.5 | 0 | 0 | 0 | 110.6 | I775 V780 F807 E811 C812 P840 A842 | I775-F809 HydrophobicContact CB-CZ 4.23Å; I775-F809 HydrophobicContact CG2-CE2 3.84Å; I775-F809 HydrophobicContact CG2-CZ 3.68Å; V780-F809 HydrophobicContact CB-CE1 4.38Å; V780-F809 HydrophobicContact CG1-CD1 4.15Å; V780-F809 HydrophobicContact CG1-CE1 3.83Å; F807-F809 WeakPolarHBondContact O-CD2 3.48Å; F809-E811 PolarHBondContact O-N 2.96Å; F809-E811 VanDerWaalsContact O-N 3.1Å; F809-C812 PolarHBondContact O-N 3.47Å; F809-P840 PolarHBondContact N-O 2.95Å; F809-P840 VanDerWaalsContact N-O 3.11Å; F809-A842 HydrophobicContact CE2-CB 4.11Å | ||
| 810 | P | 51.7 | Low | 66 | Low | 74 Ų | 74 | 56 Ų | 56 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.8 | -172.2 | 27.5 | -36.8 | 0 | 0 | 0 | 114.4 | N808 C812 K813 N814 | N808-P810 WeakPolarHBondContact O-CD 3.26Å; P810-C812 PolarHBondContact O-N 2.84Å; P810-C812 VanDerWaalsContact O-N 3.16Å; P810-K813 PolarHBondContact O-N 2.85Å; P810-N814 PolarHBondContact O-N 3.24Å |
| 811 | E | 49.7 | Very low | 64.1 | Low | 108 Ų | 108 | 64.1 Ų | 64.1 | 51% | 0.505 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.4 | -31 | 177.7 | -68.5 | -172.9 | 148.2 | 0 | 0 | 112.1 | F809 K813 N814 Q815 | F809-E811 PolarHBondContact O-N 2.96Å; F809-E811 VanDerWaalsContact O-N 3.1Å; E811-K813 PolarHBondContact O-N 3.16Å; E811-N814 PolarHBondContact O-N 2.94Å; E811-Q815 WeakPolarHBondContact O-CB 3.19Å; E811-Q815 WeakPolarHBondContact O-CG 3.34Å; E811-Q815 PolarHBondContact O-N 3.29Å |
| 812 | C | 50.2 | Low | 61.8 | Low | 27 Ų | 27 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -28.5 | 174.2 | -80.2 | 0 | 0 | 0 | 0 | 114.9 | F809 P810 T816 C834 | F809-C812 PolarHBondContact O-N 3.47Å; P810-C812 PolarHBondContact O-N 2.84Å; P810-C812 VanDerWaalsContact O-N 3.16Å; C812-T816 PolarHBondContact O-OG1 3Å; C812-C834 WeakPolarHBondContact CA-SG 3.42Å; C812-C834 HydrophobicContact CB-CB 3.63Å; C812-C834 WeakPolarHBondContact CB-SG 3.41Å; C812-C834 WeakPolarHBondContact SG-CB 3.33Å; C812-C834 CovalentContact SG-SG 2.04Å; C812-C834 PolarHBondContact SG-SG 2.89Å |
| 813 | K | 47.7 | Very low | 59.8 | Low | 138 Ų | 138 | 73.5 Ų | 73.5 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.1 | -53.3 | 171.6 | -86.1 | -172.6 | 173 | -177.6 | 0 | 110.3 | P810 E811 T816 | P810-K813 PolarHBondContact O-N 2.85Å; E811-K813 PolarHBondContact O-N 3.16Å; K813-T816 PolarHBondContact O-N 3.26Å; K813-T816 PolarHBondContact O-OG1 3Å |
| 814 | N | 47.5 | Very low | 57.9 | Low | 101 Ų | 101 | 74.8 Ų | 74.8 | 54% | 0.54 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | -176.3 | -80 | 15.2 | 0 | 0 | 0 | 112.9 | P810 E811 T816 E817 I818 | P810-N814 PolarHBondContact O-N 3.24Å; E811-N814 PolarHBondContact O-N 2.94Å; N814-T816 VanDerWaalsContact C-N 3.31Å; N814-T816 PolarHBondContact O-N 3.21Å; N814-E817 PolarHBondContact O-N 3.32Å; N814-E817 VanDerWaalsContact O-N 3.17Å; N814-I818 HydrophobicContact CB-CD1 4.16Å; N814-I818 WeakPolarHBondContact O-CB 3.42Å; N814-I818 VanDerWaalsContact O-CG1 3.26Å; N814-I818 WeakPolarHBondContact O-CG1 3.46Å; N814-I818 PolarHBondContact O-N 3.04Å |
| 815 | Q | 48.2 | Very low | 56.2 | Low | 37 Ų | 37 | 81.4 Ų | 81.4 | 17% | 0.173 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -71.3 | -24 | -178.8 | -72.1 | 174.4 | -18.3 | 0 | 0 | 113.2 | E811 E817 A819 M830 | E811-Q815 WeakPolarHBondContact O-CB 3.19Å; E811-Q815 WeakPolarHBondContact O-CG 3.34Å; E811-Q815 PolarHBondContact O-N 3.29Å; Q815-E817 VanDerWaalsContact C-N 3.32Å; Q815-A819 WeakPolarHBondContact O-CB 3.1Å; Q815-A819 PolarHBondContact O-N 2.97Å; Q815-M830 VanDerWaalsContact OE1-CE 3.3Å |
| 816 | T | 46.6 | Very low | 54.4 | Low | 49 Ų | 49 | 82.1 Ų | 82.1 | 30% | 0.301 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.1 | -20.7 | 171.5 | 42.7 | 0 | 0 | 0 | 0 | 113.5 | C812 K813 N814 A831 C834 | C812-T816 PolarHBondContact O-OG1 3Å; K813-T816 PolarHBondContact O-N 3.26Å; K813-T816 PolarHBondContact O-OG1 3Å; N814-T816 VanDerWaalsContact C-N 3.31Å; N814-T816 PolarHBondContact O-N 3.21Å; T816-A831 HydrophobicContact CG2-CB 4.43Å; T816-C834 HydrophobicContact CG2-CB 4.41Å |
| 817 | E | 49.3 | Very low | 52.6 | Low | 131 Ų | 131 | 83.1 Ų | 83.1 | 61% | 0.612 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -87.1 | -45.2 | 167.3 | -66.6 | -159.6 | 139.3 | 0 | 0 | 112.6 | N814 Q815 A819 K820 Q821 | N814-E817 PolarHBondContact O-N 3.32Å; N814-E817 VanDerWaalsContact O-N 3.17Å; Q815-E817 VanDerWaalsContact C-N 3.32Å; E817-A819 VanDerWaalsContact C-N 3.28Å; E817-A819 PolarHBondContact O-N 2.88Å; E817-K820 WeakPolarHBondContact O-CA 3.48Å; E817-K820 WeakPolarHBondContact O-CB 3.45Å; E817-K820 PolarHBondContact O-N 2.92Å; E817-Q821 PolarHBondContact O-N 3.36Å |
| 818 | I | 48.7 | Very low | 51.2 | Low | 69 Ų | 69 | 87 Ų | 87 | 35% | 0.354 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 179.5 | -65 | 164.2 | 0 | 0 | 0 | 110.8 | N814 K820 Q821 N822 | N814-I818 HydrophobicContact CB-CD1 4.16Å; N814-I818 WeakPolarHBondContact O-CB 3.42Å; N814-I818 VanDerWaalsContact O-CG1 3.26Å; N814-I818 WeakPolarHBondContact O-CG1 3.46Å; N814-I818 PolarHBondContact O-N 3.04Å; I818-K820 PolarHBondContact O-N 2.9Å; I818-Q821 PolarHBondContact O-N 3.03Å; I818-N822 HydrophobicContact CG2-CB 4.43Å; I818-N822 PolarHBondContact O-N 3.38Å |
| 819 | A | 50.5 | Low | 50.1 | Low | 21 Ų | 21 | 90.7 Ų | 90.7 | 17% | 0.174 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.5 | -9.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q815 E817 N827 A831 | Q815-A819 WeakPolarHBondContact O-CB 3.1Å; Q815-A819 PolarHBondContact O-N 2.97Å; E817-A819 VanDerWaalsContact C-N 3.28Å; E817-A819 PolarHBondContact O-N 2.88Å; A819-N827 HydrophobicContact CB-CB 4.29Å; A819-A831 HydrophobicContact CB-CB 3.65Å |
| 820 | K | 53.7 | Low | 49.3 | Very low | 168 Ų | 168 | 91 Ų | 91 | 73% | 0.73 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -86.4 | -16.5 | 165.9 | -65.8 | 177 | -179.3 | 174.3 | 0 | 112.9 | E817 I818 | E817-K820 WeakPolarHBondContact O-CA 3.48Å; E817-K820 WeakPolarHBondContact O-CB 3.45Å; E817-K820 PolarHBondContact O-N 2.92Å; I818-K820 PolarHBondContact O-N 2.9Å |
| 821 | Q | 54.7 | Low | 49.3 | Very low | 169 Ų | 169 | 87.9 Ų | 87.9 | 79% | 0.79 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -113.4 | -24.4 | -174.2 | -70 | -171.4 | -9.6 | 0 | 0 | 114.4 | E817 I818 | E817-Q821 PolarHBondContact O-N 3.36Å; I818-Q821 PolarHBondContact O-N 3.03Å |
| 822 | N | 44.7 | Very low | 49.5 | Very low | 106 Ų | 106 | 87.6 Ų | 87.6 | 57% | 0.567 | 46% | 0.455 | S | S | * | . | trans | -131.4 | 110.4 | -177.8 | -102.8 | -34.8 | 0 | 0 | 0 | 111.8 | I818 S824 N827 | I818-N822 HydrophobicContact CG2-CB 4.43Å; I818-N822 PolarHBondContact O-N 3.38Å; N822-S824 PolarHBondContact O-N 3.29Å; N822-N827 PolarHBondContact O-ND2 3.19Å | ||
| 823 | D | 51.4 | Low | 49.5 | Very low | 160 Ų | 160 | 90 Ų | 90 | 86% | 0.856 | 47% | 0.466 | S | S | * | . | trans | -74.7 | 25.6 | -172 | -128 | -0 | 0 | 0 | 0 | 114.3 | ||||
| 824 | S | 47.1 | Very low | 49.7 | Very low | 49 Ų | 49 | 84.1 Ų | 84.1 | 34% | 0.343 | 44% | 0.442 | S | S | . | . | trans | -78.4 | 129.2 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | N822 T826 N827 L828 | N822-S824 PolarHBondContact O-N 3.29Å; S824-T826 PolarHBondContact O-N 2.87Å; S824-N827 PolarHBondContact O-N 3.48Å; S824-N827 PolarHBondContact OG-ND2 2.99Å; S824-L828 PolarHBondContact O-N 3.16Å | ||
| 825 | L | 50.2 | Low | 49.8 | Very low | 138 Ų | 138 | 88.5 Ų | 88.5 | 72% | 0.723 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -51.8 | -32 | -177.6 | -123.7 | 85.7 | 0 | 0 | 0 | 113.8 | L828 N829 | L825-L828 PolarHBondContact O-N 2.97Å; L825-N829 PolarHBondContact O-N 3.34Å |
| 826 | T | 47.3 | Very low | 49.8 | Very low | 106 Ų | 106 | 97.6 Ų | 97.6 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176.5 | 30.5 | 0 | 0 | 0 | 0 | 113.1 | S824 | S824-T826 PolarHBondContact O-N 2.87Å |
| 827 | N | 45.8 | Very low | 49.8 | Very low | 33 Ų | 33 | 98.6 Ų | 98.6 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -69.8 | -37.3 | 175.9 | -69.2 | -18.7 | 0 | 0 | 0 | 111.2 | A819 N822 S824 M830 A831 | A819-N827 HydrophobicContact CB-CB 4.29Å; N822-N827 PolarHBondContact O-ND2 3.19Å; S824-N827 PolarHBondContact O-N 3.48Å; S824-N827 PolarHBondContact OG-ND2 2.99Å; N827-M830 PolarHBondContact O-N 2.05Å; N827-A831 WeakPolarHBondContact O-CB 3.18Å; N827-A831 PolarHBondContact O-N 3.37Å |
| 828 | L | 53.3 | Low | 49.6 | Very low | 81 Ų | 81 | 97.4 Ų | 97.4 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | -176.7 | -148.8 | 88.9 | 0 | 0 | 0 | 112.2 | S824 L825 M830 A831 L832 | S824-L828 PolarHBondContact O-N 3.16Å; L825-L828 PolarHBondContact O-N 2.97Å; L828-M830 PolarHBondContact O-N 3.49Å; L828-A831 PolarHBondContact O-N 2.89Å; L828-L832 WeakPolarHBondContact O-CB 3.37Å; L828-L832 PolarHBondContact O-N 3.27Å |
| 829 | N | 50.7 | Low | 49.8 | Very low | 100 Ų | 100 | 97.9 Ų | 97.9 | 54% | 0.535 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 179.2 | -82.1 | -16.2 | 0 | 0 | 0 | 112.6 | L825 L832 L833 | L825-N829 PolarHBondContact O-N 3.34Å; N829-L832 WeakPolarHBondContact O-CB 3.36Å; N829-L832 PolarHBondContact O-N 2.65Å; N829-L833 PolarHBondContact O-N 3.41Å; N829-L833 VanDerWaalsContact O-N 3.11Å |
| 830 | M | 45.8 | Very low | 50.2 | Low | 46 Ų | 46 | 99.7 Ų | 99.7 | 23% | 0.227 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 175 | -79.9 | -61.1 | -63.5 | 0 | 0 | 112.2 | Q815 N827 L828 L832 L833 C834 | Q815-M830 VanDerWaalsContact OE1-CE 3.3Å; N827-M830 PolarHBondContact O-N 2.05Å; L828-M830 PolarHBondContact O-N 3.49Å; M830-L832 PolarHBondContact O-N 2.63Å; M830-L833 WeakPolarHBondContact O-CB 3.17Å; M830-L833 PolarHBondContact O-N 2.89Å; M830-L833 VanDerWaalsContact O-N 3.17Å; M830-L833 HydrophobicContact SD-CD1 4.32Å; M830-C834 PolarHBondContact O-N 2.89Å; M830-C834 PolarHBondContact O-SG 3.27Å; M830-C834 VanDerWaalsContact O-SG 3.32Å |
| 831 | A | 52.7 | Low | 51 | Low | 8 Ų | 8 | 95.2 Ų | 95.2 | 7% | 0.066 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T816 A819 N827 L828 R835 | T816-A831 HydrophobicContact CG2-CB 4.43Å; A819-A831 HydrophobicContact CB-CB 3.65Å; N827-A831 WeakPolarHBondContact O-CB 3.18Å; N827-A831 PolarHBondContact O-N 3.37Å; L828-A831 PolarHBondContact O-N 2.89Å; A831-R835 WeakPolarHBondContact O-CB 3.24Å; A831-R835 WeakPolarHBondContact O-CG 3.11Å; A831-R835 PolarHBondContact O-N 2.63Å |
| 832 | L | 52.5 | Low | 52 | Low | 102 Ų | 102 | 87.3 Ų | 87.3 | 53% | 0.534 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 173.3 | -110.6 | 148.9 | 0 | 0 | 0 | 112.7 | L828 N829 M830 R836 | L828-L832 WeakPolarHBondContact O-CB 3.37Å; L828-L832 PolarHBondContact O-N 3.27Å; N829-L832 WeakPolarHBondContact O-CB 3.36Å; N829-L832 PolarHBondContact O-N 2.65Å; M830-L832 PolarHBondContact O-N 2.63Å; L832-R836 PolarHBondContact O-N 2.77Å |
| 833 | L | 51.2 | Low | 53.7 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 40% | 0.403 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 171.6 | -88.2 | 153.7 | 0 | 0 | 0 | 111.2 | F778 N829 M830 R835 R836 | F778-L833 HydrophobicContact CD1-CD2 4.07Å; F778-L833 HydrophobicContact CE1-CD2 4.43Å; N829-L833 PolarHBondContact O-N 3.41Å; N829-L833 VanDerWaalsContact O-N 3.11Å; M830-L833 WeakPolarHBondContact O-CB 3.17Å; M830-L833 PolarHBondContact O-N 2.89Å; M830-L833 VanDerWaalsContact O-N 3.17Å; M830-L833 HydrophobicContact SD-CD1 4.32Å; L833-R835 VanDerWaalsContact C-N 3.35Å; L833-R835 PolarHBondContact O-N 3.42Å; L833-R836 PolarHBondContact O-N 3Å; L833-R836 VanDerWaalsContact O-N 3.1Å |
| 834 | C | 50.8 | Low | 55.2 | Low | 15 Ų | 15 | 79.4 Ų | 79.4 | 10% | 0.101 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 179.3 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | C812 T816 M830 R836 | C812-C834 WeakPolarHBondContact CA-SG 3.42Å; C812-C834 HydrophobicContact CB-CB 3.63Å; C812-C834 WeakPolarHBondContact CB-SG 3.41Å; C812-C834 WeakPolarHBondContact SG-CB 3.33Å; C812-C834 CovalentContact SG-SG 2.04Å; C812-C834 PolarHBondContact SG-SG 2.89Å; T816-C834 HydrophobicContact CG2-CB 4.41Å; M830-C834 PolarHBondContact O-N 2.89Å; M830-C834 PolarHBondContact O-SG 3.27Å; M830-C834 VanDerWaalsContact O-SG 3.32Å; C834-R836 VanDerWaalsContact C-N 3.29Å; C834-R836 PolarHBondContact O-N 3.13Å |
| 835 | R | 49.5 | Very low | 56.9 | Low | 194 Ų | 194 | 82.5 Ų | 82.5 | 73% | 0.732 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.1 | -27.4 | 174.6 | -81.1 | -171.2 | -169.4 | -175.7 | 7.7 | 113.7 | A831 L833 | A831-R835 WeakPolarHBondContact O-CB 3.24Å; A831-R835 WeakPolarHBondContact O-CG 3.11Å; A831-R835 PolarHBondContact O-N 2.63Å; L833-R835 VanDerWaalsContact C-N 3.35Å; L833-R835 PolarHBondContact O-N 3.42Å |
| 836 | R | 49 | Very low | 58.6 | Low | 227 Ų | 227 | 79 Ų | 79 | 86% | 0.857 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -85.9 | -23.3 | -168.4 | -152.5 | 174.3 | -168.5 | 170.7 | 3.5 | 114.3 | L832 L833 C834 | L832-R836 PolarHBondContact O-N 2.77Å; L833-R836 PolarHBondContact O-N 3Å; L833-R836 VanDerWaalsContact O-N 3.1Å; C834-R836 VanDerWaalsContact C-N 3.29Å; C834-R836 PolarHBondContact O-N 3.13Å |
| 837 | E | 47.2 | Very low | 60.7 | Low | 70 Ų | 70 | 74 Ų | 74 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -115.3 | -9.5 | -178.7 | -67.4 | -131.9 | 129.5 | 0 | 0 | 115.2 | F778 L839 K843 | F778-E837 HydrophobicContact CE1-CG 4.22Å; F778-E837 HydrophobicContact CZ-CB 4.03Å; F778-E837 HydrophobicContact CZ-CG 4.13Å; F778-E837 WeakPolarHBondContact CZ-OE2 3.28Å; E837-L839 WeakPolarHBondContact O-CG 3.48Å; E837-L839 PolarHBondContact O-N 3.2Å; E837-K843 IonicContact OE1-NZ 2.75Å; E837-K843 PolarHBondContact OE1-NZ 2.79Å; E837-K843 IonicContact OE2-NZ 3.58Å; E837-K843 PolarHBondContact OE2-NZ 2.8Å |
| 838 | S | 45.4 | Very low | 62.9 | Low | 107 Ų | 107 | 72.7 Ų | 72.7 | 75% | 0.748 | 36% | 0.358 | S | S | * | . | trans | 47.5 | 22.9 | 171.7 | 64.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 839 | L | 52.7 | Low | 64.9 | Low | 79 Ų | 79 | 68.9 Ų | 68.9 | 41% | 0.414 | 34% | 0.338 | S | S | . | . | trans | -115.8 | 109.9 | -176.2 | -78 | 165.5 | 0 | 0 | 0 | 109.4 | E837 Y841 K843 | E837-L839 WeakPolarHBondContact O-CG 3.48Å; E837-L839 PolarHBondContact O-N 3.2Å; L839-Y841 PolarHBondContact O-N 3.11Å; L839-K843 HydrophobicContact CD1-CD 4.5Å; L839-K843 HydrophobicContact CD1-CG 4.16Å | ||
| 840 | P | 58.8 | Low | 66.9 | Low | 59 Ų | 59 | 66.4 Ų | 66.4 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -70.4 | -3.8 | 171.3 | 29.3 | -33 | 0 | 0 | 0 | 112.8 | F809 | F809-P840 PolarHBondContact N-O 2.95Å; F809-P840 VanDerWaalsContact N-O 3.11Å |
| 841 | Y | 70.8 | Confident | 69.2 | Low | 73 Ų | 73 | 64.2 Ų | 64.2 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 154.9 | -173.5 | -62.1 | -63.8 | 0 | 0 | 0 | 113.7 | F807 N808 L839 W871 | F807-Y841 CarbonylContact O-C 3.57Å; F807-Y841 VanDerWaalsContact O-CA 3.23Å; F807-Y841 WeakPolarHBondContact O-CA 3.35Å; N808-Y841 HydrophobicContact CB-CD1 4.22Å; N808-Y841 HydrophobicContact CB-CE1 3.97Å; L839-Y841 PolarHBondContact O-N 3.11Å; Y841-W871 AromaticContact CD1-CH2 3.86Å; Y841-W871 HydrophobicContact CD1-CH2 3.86Å; Y841-W871 AromaticContact CG-CH2 3.88Å; Y841-W871 HydrophobicContact CG-CH2 3.88Å; Y841-W871 HydrophobicContact CG-CZ2 4.39Å |
| 842 | A | 75 | Confident | 70.9 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | trans | -71.1 | 134.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I775 F807 F809 V847 W871 | I775-A842 HydrophobicContact CG2-CB 3.65Å; F807-A842 HydrophobicContact CB-CB 4.46Å; F807-A842 HydrophobicContact CD1-CB 4.28Å; F807-A842 PolarHBondContact O-N 2.93Å; F807-A842 VanDerWaalsContact O-N 3.09Å; F809-A842 HydrophobicContact CE2-CB 4.11Å; A842-V847 HydrophobicContact CB-CG2 4.29Å; A842-W871 VanDerWaalsContact O-CE2 3.24Å; A842-W871 WeakPolarHBondContact O-CZ2 3.29Å; A842-W871 PolarHBondContact O-NE1 2.79Å | ||
| 843 | K | 80.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 27% | 0.27 | 29% | 0.288 | S | S | . | . | trans | -67.2 | 139.6 | 168 | -66.4 | 170.6 | 176.7 | 164.1 | 0 | 109.6 | E837 L839 D845 H846 | E837-K843 IonicContact OE1-NZ 2.75Å; E837-K843 PolarHBondContact OE1-NZ 2.79Å; E837-K843 IonicContact OE2-NZ 3.58Å; E837-K843 PolarHBondContact OE2-NZ 2.8Å; L839-K843 HydrophobicContact CD1-CD 4.5Å; L839-K843 HydrophobicContact CD1-CG 4.16Å; K843-D845 PolarHBondContact O-N 2.9Å; K843-D845 VanDerWaalsContact O-N 3.17Å; K843-H846 WeakPolarHBondContact O-CB 3.29Å; K843-H846 PolarHBondContact O-N 3.31Å | ||
| 844 | P | 83.2 | Confident | 74.4 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 25% | 0.253 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -51.5 | -39.3 | 179.9 | -26.1 | 32.1 | 0 | 0 | 0 | 114.2 | H846 V847 A868 | P844-H846 PolarHBondContact O-N 3.38Å; P844-H846 VanDerWaalsContact O-N 3.09Å; P844-V847 WeakPolarHBondContact O-CB 3.14Å; P844-V847 PolarHBondContact O-N 3.08Å; P844-A868 CarbonylContact C-O 3.57Å; P844-A868 HydrophobicContact CB-CB 4.24Å; P844-A868 WeakPolarHBondContact CB-O 3.44Å |
| 845 | D | 83.1 | Confident | 76.1 | Confident | 114 Ų | 114 | 57.5 Ų | 57.5 | 61% | 0.61 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.1 | 178.6 | -62.9 | -51 | 0 | 0 | 0 | 114.6 | K843 | K843-D845 PolarHBondContact O-N 2.9Å; K843-D845 VanDerWaalsContact O-N 3.17Å |
| 846 | H | 85.8 | Confident | 77.7 | Confident | 64 Ų | 64 | 51.4 Ų | 51.4 | 30% | 0.296 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -88.4 | -3.1 | 175.8 | -63.7 | 150.3 | 0 | 0 | 0 | 113.4 | I775 Q776 K843 P844 | I775-H846 WeakPolarHBondContact CA-O 3.42Å; Q776-H846 PolarHBondContact N-O 2.81Å; Q776-H846 WeakPolarHBondContact O-CB 3.49Å; K843-H846 WeakPolarHBondContact O-CB 3.29Å; K843-H846 PolarHBondContact O-N 3.31Å; P844-H846 PolarHBondContact O-N 3.38Å; P844-H846 VanDerWaalsContact O-N 3.09Å |
| 847 | V | 90.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 110.1 | -178 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | I773 I775 F807 A842 P844 I849 A868 I888 | I773-V847 HydrophobicContact CG2-CG1 3.72Å; I775-V847 HydrophobicContact CG1-CG1 4.44Å; I775-V847 HydrophobicContact CG1-CG2 4.35Å; F807-V847 HydrophobicContact CD1-CG2 4.01Å; F807-V847 HydrophobicContact CE1-CB 4.49Å; F807-V847 HydrophobicContact CE1-CG1 3.88Å; F807-V847 HydrophobicContact CE1-CG2 3.76Å; A842-V847 HydrophobicContact CB-CG2 4.29Å; P844-V847 WeakPolarHBondContact O-CB 3.14Å; P844-V847 PolarHBondContact O-N 3.08Å; V847-I849 HydrophobicContact CG1-CD1 4.14Å; V847-A868 HydrophobicContact CB-CB 3.79Å; V847-A868 HydrophobicContact CG1-CB 4.03Å; V847-A868 PolarHBondContact O-N 3.24Å; V847-I888 HydrophobicContact CG1-CD1 4.16Å |
| 848 | I | 92.7 | Very high | 80.8 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.5 | 178.4 | -56.9 | 159.6 | 0 | 0 | 0 | 108.7 | V774 Q776 Y850 R865 L866 | V774-I848 HydrophobicContact CB-CB 4.42Å; V774-I848 PolarHBondContact N-O 3.16Å; V774-I848 PolarHBondContact O-N 3.12Å; Q776-I848 HydrophobicContact CG-CD1 4.44Å; Q776-I848 VanDerWaalsContact OE1-CD1 3.32Å; I848-Y850 HydrophobicContact CB-CE2 4.33Å; I848-Y850 HydrophobicContact CG2-CD2 4.2Å; I848-Y850 HydrophobicContact CG2-CE2 3.49Å; I848-Y850 VanDerWaalsContact CG2-CE2 3.49Å; I848-R865 HydrophobicContact CG2-CG 3.84Å; I848-L866 WeakPolarHBondContact CA-O 3.43Å |
| 849 | I | 94.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.7 | -177.4 | -63.7 | 90.9 | 0 | 0 | 0 | 108.6 | A771 L772 I800 V847 L851 R865 L866 A868 I888 L890 | A771-I849 HydrophobicContact CB-CG2 4.44Å; L772-I849 CarbonylContact O-C 3.47Å; L772-I849 WeakPolarHBondContact O-CA 3.34Å; I800-I849 HydrophobicContact CD1-CB 4.42Å; I800-I849 HydrophobicContact CD1-CG1 4.32Å; I800-I849 HydrophobicContact CD1-CG2 3.3Å; V847-I849 HydrophobicContact CG1-CD1 4.14Å; I849-L851 HydrophobicContact CG2-CG 4.21Å; I849-R865 CarbonylContact O-C 3.53Å; I849-R865 WeakPolarHBondContact O-CA 3.34Å; I849-L866 HydrophobicContact CB-CB 4.35Å; I849-L866 PolarHBondContact N-O 3.12Å; I849-L866 PolarHBondContact O-N 3.15Å; I849-A868 HydrophobicContact CD1-CB 4.06Å; I849-I888 HydrophobicContact CD1-CG2 3.95Å; I849-I888 HydrophobicContact CG1-CD1 4.3Å; I849-I888 HydrophobicContact CG1-CG2 4.42Å; I849-L890 HydrophobicContact CB-CD2 3.96Å; I849-L890 HydrophobicContact CD1-CD2 3.81Å; I849-L890 HydrophobicContact CG1-CD2 3.81Å; I849-L890 HydrophobicContact CG2-CD2 3.97Å |
| 850 | Y | 94.3 | Very high | 83.2 | Confident | 49 Ų | 49 | 51 Ų | 51 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.9 | 171 | -61.9 | -93.1 | 0 | 0 | 0 | 110.2 | A771 L772 V774 I848 L863 Q864 R865 | A771-Y850 WeakPolarHBondContact CA-O 3.21Å; L772-Y850 HydrophobicContact CD2-CD2 4.16Å; L772-Y850 PolarHBondContact N-O 3.12Å; L772-Y850 PolarHBondContact O-N 2.86Å; V774-Y850 HydrophobicContact CB-CE2 4.28Å; V774-Y850 HydrophobicContact CG2-CD2 3.87Å; V774-Y850 HydrophobicContact CG2-CE2 3.67Å; I848-Y850 HydrophobicContact CB-CE2 4.33Å; I848-Y850 HydrophobicContact CG2-CD2 4.2Å; I848-Y850 HydrophobicContact CG2-CE2 3.49Å; I848-Y850 VanDerWaalsContact CG2-CE2 3.49Å; Y850-L863 HydrophobicContact CD1-CD1 3.93Å; Y850-L863 HydrophobicContact CD1-CD2 4.08Å; Y850-L863 HydrophobicContact CD1-CG 4.27Å; Y850-L863 HydrophobicContact CG-CD1 4.41Å; Y850-Q864 WeakPolarHBondContact CA-O 3.28Å; Y850-R865 HydrophobicContact CD1-CB 3.89Å; Y850-R865 HydrophobicContact CD1-CG 3.98Å; Y850-R865 HydrophobicContact CE1-CB 3.76Å; Y850-R865 HydrophobicContact CE1-CG 3.47Å; Y850-R865 VanDerWaalsContact CE1-CG 3.47Å; Y850-R865 PolarHBondContact OH-NE 3.47Å |
| 851 | L | 93.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 149.5 | 176.8 | -67.4 | 170.2 | 0 | 0 | 0 | 110.4 | A771 L788 I800 I849 L853 L863 Q864 L866 L890 V894 I900 | A771-L851 HydrophobicContact CB-CD2 3.7Å; L788-L851 HydrophobicContact CB-CD2 4.11Å; L788-L851 HydrophobicContact CD1-CD1 4.11Å; L788-L851 HydrophobicContact CD2-CD1 4.35Å; I800-L851 HydrophobicContact CD1-CD2 4.12Å; I849-L851 HydrophobicContact CG2-CG 4.21Å; L851-L853 VanDerWaalsContact C-N 3.25Å; L851-L853 PolarHBondContact O-N 3.27Å; L851-L863 WeakPolarHBondContact O-CA 3.44Å; L851-L863 WeakPolarHBondContact O-CD1 3.49Å; L851-Q864 HydrophobicContact CB-CB 4.44Å; L851-Q864 PolarHBondContact N-O 3.41Å; L851-Q864 PolarHBondContact O-N 2.97Å; L851-L866 HydrophobicContact CD1-CD1 3.9Å; L851-L890 HydrophobicContact CD1-CD1 4.27Å; L851-V894 HydrophobicContact CD1-CB 4.42Å; L851-V894 HydrophobicContact CD1-CG1 4.15Å; L851-V894 HydrophobicContact CD1-CG2 3.97Å; L851-I900 HydrophobicContact CB-CD1 3.84Å; L851-I900 HydrophobicContact CB-CG1 4.18Å; L851-I900 HydrophobicContact CB-CG2 4.26Å; L851-I900 HydrophobicContact CD1-CG2 4.28Å |
| 852 | G | 88.2 | Confident | 84.2 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 75.5 | 9.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H765 T860 | H765-G852 PolarHBondContact CE1-O 2.76Å; H765-G852 VanDerWaalsContact CE1-O 3.23Å; H765-G852 PolarHBondContact ND1-O 3.19Å; G852-T860 PolarHBondContact O-OG1 2.83Å |
| 853 | L | 89.2 | Confident | 84.7 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -79.6 | 143.3 | 179.3 | -167.2 | 54.7 | 0 | 0 | 0 | 111.5 | L772 L851 L856 P859 L863 W924 | L772-L853 HydrophobicContact CD2-CD2 3.98Å; L851-L853 VanDerWaalsContact C-N 3.25Å; L851-L853 PolarHBondContact O-N 3.27Å; L853-L856 HydrophobicContact CD2-CD2 3.8Å; L853-P859 HydrophobicContact CD1-CB 4.04Å; L853-L863 HydrophobicContact CB-CD1 3.76Å; L853-L863 HydrophobicContact CD1-CD1 3.92Å; L853-L863 HydrophobicContact CD1-CD2 4.41Å; L853-L863 HydrophobicContact CD2-CD1 4.39Å; L853-L863 HydrophobicContact CG-CD1 4.24Å; L853-W924 HydrophobicContact CB-CZ2 4.25Å; L853-W924 HydrophobicContact CG-CZ2 4.43Å; L853-W924 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 854 | H | 87.1 | Confident | 85.2 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 9% | 0.088 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -120.3 | -55.4 | 167.7 | -179.7 | 62 | 0 | 0 | 0 | 111.8 | E761 A762 A764 W924 T935 L936 | E761-H854 IonicContact OE1-CD2 2.74Å; E761-H854 IonicContact OE1-CE1 3.85Å; E761-H854 IonicContact OE1-NE2 2.7Å; E761-H854 PolarHBondContact OE1-NE2 3.09Å; A762-H854 PolarHBondContact O-CE1 2.63Å; A764-H854 HydrophobicContact CB-CB 4.17Å; H854-W924 PolarHBondContact O-NE1 3.42Å; H854-T935 CarbonylContact O-C 3.47Å; H854-T935 WeakPolarHBondContact O-CA 3.26Å; H854-L936 PolarHBondContact O-N 3.08Å |
| 855 | D | 88.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -108.3 | 118.6 | 177.9 | -173 | 4.9 | 0 | 0 | 0 | 111.6 | K857 R858 T934 T935 | D855-K857 PolarHBondContact O-N 3.24Å; D855-K857 VanDerWaalsContact O-N 3.15Å; D855-K857 PolarHBondContact OD1-N 3.31Å; D855-R858 HydrophobicContact CB-CB 4.07Å; D855-R858 CarbonylContact O-C 3.55Å; D855-R858 VanDerWaalsContact O-C 3.22Å; D855-R858 PolarHBondContact O-N 3.42Å; D855-T934 CarbonylContact C-O 3.56Å; D855-T934 WeakPolarHBondContact CA-O 3.46Å; D855-T934 VanDerWaalsContact OD1-C 3.3Å; D855-T934 WeakPolarHBondContact OD1-CB 3.46Å; D855-T934 PolarHBondContact OD1-OG1 3.05Å; D855-T934 VanDerWaalsContact OD1-OG1 3.05Å; D855-T935 HydrophobicContact CB-CG2 3.9Å |
| 856 | L | 82.3 | Confident | 86.1 | Confident | 66 Ų | 66 | 49.4 Ų | 49.4 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.3 | 173 | -64.3 | 177.2 | 0 | 0 | 0 | 113.1 | L772 L853 W924 T934 | L772-L856 HydrophobicContact CD2-CD2 3.53Å; L853-L856 HydrophobicContact CD2-CD2 3.8Å; L856-W924 HydrophobicContact CD1-CB 4.08Å; L856-W924 HydrophobicContact CD1-CG 4.19Å; L856-W924 HydrophobicContact CD2-CG 4.45Å; L856-W924 HydrophobicContact CG-CG 4.23Å; L856-T934 WeakPolarHBondContact CG-O 3.28Å; L856-T934 PolarHBondContact N-O 3.27Å |
| 857 | K | 80.7 | Confident | 86.4 | Confident | 159 Ų | 159 | 51.9 Ų | 51.9 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -18.9 | 176.6 | -75.3 | 178.6 | 172 | 166.3 | 0 | 114 | D855 T934 | D855-K857 PolarHBondContact O-N 3.24Å; D855-K857 VanDerWaalsContact O-N 3.15Å; D855-K857 PolarHBondContact OD1-N 3.31Å; K857-T934 HydrophobicContact CD-CG2 3.76Å; K857-T934 HydrophobicContact CG-CG2 3.9Å |
| 858 | R | 79.6 | Confident | 86.4 | Confident | 196 Ų | 196 | 52 Ų | 52 | 74% | 0.74 | 25% | 0.246 | S | C | * | . | B | Isolated β-bridge | trans | -137.9 | 69.7 | -173.1 | -64 | -179.3 | 174.1 | -168.6 | -2.9 | 109.6 | D855 T860 | D855-R858 HydrophobicContact CB-CB 4.07Å; D855-R858 CarbonylContact O-C 3.55Å; D855-R858 VanDerWaalsContact O-C 3.22Å; D855-R858 PolarHBondContact O-N 3.42Å; R858-T860 PolarHBondContact O-N 3.36Å |
| 859 | P | 74.6 | Confident | 86.3 | Confident | 76 Ų | 76 | 58.9 Ų | 58.9 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | trans | -60.5 | 130.9 | 176.3 | 25.8 | -34.3 | 0 | 0 | 0 | 110.9 | L853 L863 | L853-P859 HydrophobicContact CD1-CB 4.04Å; P859-L863 HydrophobicContact CB-CD2 3.52Å | ||
| 860 | T | 75.5 | Confident | 85.9 | Confident | 44 Ų | 44 | 61 Ų | 61 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | trans | -83.7 | 158.1 | 178.9 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | G852 R858 V862 L863 | G852-T860 PolarHBondContact O-OG1 2.83Å; R858-T860 PolarHBondContact O-N 3.36Å; T860-V862 PolarHBondContact O-N 3.45Å; T860-V862 VanDerWaalsContact O-N 3.12Å; T860-V862 WeakPolarHBondContact OG1-CG2 3.09Å; T860-L863 WeakPolarHBondContact O-CB 3.09Å; T860-L863 PolarHBondContact O-N 3.05Å | ||
| 861 | S | 73.2 | Confident | 85.3 | Confident | 75 Ų | 75 | 60.4 Ų | 60.4 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.6 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | L863 | S861-L863 PolarHBondContact O-N 3.23Š|
| 862 | V | 77.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.5 | 174.2 | -62.1 | 0 | 0 | 0 | 0 | 114.4 | A725 T860 Q864 A899 | A725-V862 HydrophobicContact CB-CG1 4.23Å; T860-V862 PolarHBondContact O-N 3.45Å; T860-V862 VanDerWaalsContact O-N 3.12Å; T860-V862 WeakPolarHBondContact OG1-CG2 3.09Å; V862-Q864 PolarHBondContact O-N 2.97Å; V862-A899 HydrophobicContact CB-CB 4.01Å; V862-A899 HydrophobicContact CG1-CB 4.39Å; V862-A899 HydrophobicContact CG2-CB 3.67Å |
| 863 | L | 85.7 | Confident | 83.9 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -64 | 119.4 | 178.9 | 178.2 | 65.9 | 0 | 0 | 0 | 111.1 | Y850 L851 L853 P859 T860 S861 | Y850-L863 HydrophobicContact CD1-CD1 3.93Å; Y850-L863 HydrophobicContact CD1-CD2 4.08Å; Y850-L863 HydrophobicContact CD1-CG 4.27Å; Y850-L863 HydrophobicContact CG-CD1 4.41Å; L851-L863 WeakPolarHBondContact O-CA 3.44Å; L851-L863 WeakPolarHBondContact O-CD1 3.49Å; L853-L863 HydrophobicContact CB-CD1 3.76Å; L853-L863 HydrophobicContact CD1-CD1 3.92Å; L853-L863 HydrophobicContact CD1-CD2 4.41Å; L853-L863 HydrophobicContact CD2-CD1 4.39Å; L853-L863 HydrophobicContact CG-CD1 4.24Å; P859-L863 HydrophobicContact CB-CD2 3.52Å; T860-L863 WeakPolarHBondContact O-CB 3.09Å; T860-L863 PolarHBondContact O-N 3.05Å; S861-L863 PolarHBondContact O-N 3.23Å |
| 864 | Q | 89.2 | Confident | 83 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.9 | 168.1 | -65.3 | -163.5 | 31.9 | 0 | 0 | 110.6 | Y850 L851 V862 I900 | Y850-Q864 WeakPolarHBondContact CA-O 3.28Å; L851-Q864 HydrophobicContact CB-CB 4.44Å; L851-Q864 PolarHBondContact N-O 3.41Å; L851-Q864 PolarHBondContact O-N 2.97Å; V862-Q864 PolarHBondContact O-N 2.97Å; Q864-I900 HydrophobicContact CB-CD1 4.02Å; Q864-I900 HydrophobicContact CG-CD1 3.68Å |
| 865 | R | 93 | Very high | 82.2 | Confident | 116 Ų | 116 | 70.7 Ų | 70.7 | 44% | 0.438 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.2 | 171.4 | -179.4 | -176.1 | 178.2 | -80.3 | 0.3 | 109.6 | I848 I849 Y850 | I848-R865 HydrophobicContact CG2-CG 3.84Å; I849-R865 CarbonylContact O-C 3.53Å; I849-R865 WeakPolarHBondContact O-CA 3.34Å; Y850-R865 HydrophobicContact CD1-CB 3.89Å; Y850-R865 HydrophobicContact CD1-CG 3.98Å; Y850-R865 HydrophobicContact CE1-CB 3.76Å; Y850-R865 HydrophobicContact CE1-CG 3.47Å; Y850-R865 VanDerWaalsContact CE1-CG 3.47Å; Y850-R865 PolarHBondContact OH-NE 3.47Å |
| 866 | L | 93.1 | Very high | 81.1 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.4 | -174 | -55.5 | 169.7 | 0 | 0 | 0 | 110.4 | I848 I849 L851 L890 E891 K892 V894 | I848-L866 WeakPolarHBondContact CA-O 3.43Å; I849-L866 HydrophobicContact CB-CB 4.35Å; I849-L866 PolarHBondContact N-O 3.12Å; I849-L866 PolarHBondContact O-N 3.15Å; L851-L866 HydrophobicContact CD1-CD1 3.9Å; L866-L890 HydrophobicContact CB-CD2 4.13Å; L866-L890 HydrophobicContact CD1-CB 4.5Å; L866-L890 HydrophobicContact CD1-CD1 3.78Å; L866-L890 HydrophobicContact CD1-CD2 4.13Å; L866-L890 HydrophobicContact CD1-CG 4.35Å; L866-E891 VanDerWaalsContact CA-OE1 3.28Å; L866-E891 WeakPolarHBondContact CA-OE1 3.16Å; L866-K892 HydrophobicContact CD2-CD 4.2Å; L866-K892 HydrophobicContact CD2-CG 3.93Å; L866-V894 HydrophobicContact CD1-CG2 3.35Å |
| 867 | R | 91.7 | Very high | 80.4 | Confident | 117 Ų | 117 | 70 Ų | 70 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 154.4 | 168.1 | -59.6 | -178.1 | -179.1 | -166.4 | 0.4 | 111.4 | K869 E891 | R867-K869 PolarHBondContact O-N 2.82Å; R867-E891 PolarHBondContact N-OE1 3.42Å; R867-E891 PolarHBondContact O-N 3.46Å |
| 868 | A | 90.7 | Very high | 79.7 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 119.3 | 164 | 0 | 0 | 0 | 0 | 0 | 109.4 | P844 V847 I849 A870 I888 K889 | P844-A868 CarbonylContact C-O 3.57Å; P844-A868 HydrophobicContact CB-CB 4.24Å; P844-A868 WeakPolarHBondContact CB-O 3.44Å; V847-A868 HydrophobicContact CB-CB 3.79Å; V847-A868 HydrophobicContact CG1-CB 4.03Å; V847-A868 PolarHBondContact O-N 3.24Å; I849-A868 HydrophobicContact CD1-CB 4.06Å; A868-A870 VanDerWaalsContact C-N 3.32Å; A868-I888 HydrophobicContact CB-CG2 3.56Å; A868-K889 CarbonylContact C-O 3.49Å; A868-K889 WeakPolarHBondContact CA-O 3.42Å |
| 869 | K | 89.5 | Confident | 78.9 | Confident | 153 Ų | 153 | 59.5 Ų | 59.5 | 67% | 0.665 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -39 | 166.3 | -174.3 | 175.4 | -179 | 175.2 | 0 | 111 | R867 K889 | R867-K869 PolarHBondContact O-N 2.82Å; K869-K889 WeakPolarHBondContact CB-O 3.41Å; K869-K889 PolarHBondContact N-O 3.24Å |
| 870 | A | 86.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108 | A868 K889 | A868-A870 VanDerWaalsContact C-N 3.32Å; A870-K889 HydrophobicContact CB-CB 4.38Å; A870-K889 PolarHBondContact N-O 3.19Å; A870-K889 PolarHBondContact O-N 3.23Å |
| 871 | W | 83.1 | Confident | 78.2 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.4 | 162.1 | 63.5 | -79.8 | 0 | 0 | 0 | 107.8 | F807 Y841 A842 P873 L887 I888 | F807-W871 HydrophobicContact CB-CD2 4.39Å; F807-W871 HydrophobicContact CB-CE3 3.96Å; F807-W871 HydrophobicContact CB-CH2 3.41Å; F807-W871 VanDerWaalsContact CB-CH2 3.41Å; F807-W871 HydrophobicContact CB-CZ2 3.86Å; F807-W871 HydrophobicContact CB-CZ3 3.41Å; F807-W871 VanDerWaalsContact CB-CZ3 3.41Å; F807-W871 AromaticContact CD1-CD2 3.86Å; F807-W871 HydrophobicContact CD1-CD2 3.86Å; F807-W871 AromaticContact CD1-CE3 3.97Å; F807-W871 HydrophobicContact CD1-CE3 3.97Å; F807-W871 HydrophobicContact CD1-CG 4.31Å; F807-W871 HydrophobicContact CD1-CZ3 4.3Å; F807-W871 AromaticContact CD2-CD2 3.99Å; F807-W871 HydrophobicContact CD2-CD2 3.99Å; F807-W871 AromaticContact CD2-CE3 3.23Å; F807-W871 HydrophobicContact CD2-CE3 3.23Å; F807-W871 HydrophobicContact CD2-CH2 4.25Å; F807-W871 AromaticContact CD2-CZ3 3.35Å; F807-W871 HydrophobicContact CD2-CZ3 3.35Å; F807-W871 HydrophobicContact CE1-CD2 4.1Å; F807-W871 HydrophobicContact CE1-CE3 4.29Å; F807-W871 HydrophobicContact CE1-CG 4.13Å; F807-W871 HydrophobicContact CE2-CD2 4.2Å; F807-W871 AromaticContact CE2-CE3 3.6Å; F807-W871 HydrophobicContact CE2-CE3 3.6Å; F807-W871 HydrophobicContact CE2-CZ3 4.18Å; F807-W871 AromaticContact CG-CD2 3.8Å; F807-W871 HydrophobicContact CG-CD2 3.8Å; F807-W871 AromaticContact CG-CE3 3.42Å; F807-W871 HydrophobicContact CG-CE3 3.42Å; F807-W871 VanDerWaalsContact CG-CE3 3.42Å; F807-W871 AromaticContact CG-CH2 3.86Å; F807-W871 HydrophobicContact CG-CH2 3.86Å; F807-W871 HydrophobicContact CG-CZ2 4.17Å; F807-W871 AromaticContact CG-CZ3 3.41Å; F807-W871 HydrophobicContact CG-CZ3 3.41Å; F807-W871 VanDerWaalsContact CG-CZ3 3.41Å; F807-W871 HydrophobicContact CZ-CB 4.31Å; F807-W871 HydrophobicContact CZ-CD2 4.25Å; F807-W871 HydrophobicContact CZ-CE3 4.11Å; F807-W871 HydrophobicContact CZ-CG 4.29Å; Y841-W871 AromaticContact CD1-CH2 3.86Å; Y841-W871 HydrophobicContact CD1-CH2 3.86Å; Y841-W871 AromaticContact CG-CH2 3.88Å; Y841-W871 HydrophobicContact CG-CH2 3.88Å; Y841-W871 HydrophobicContact CG-CZ2 4.39Å; A842-W871 VanDerWaalsContact O-CE2 3.24Å; A842-W871 WeakPolarHBondContact O-CZ2 3.29Å; A842-W871 PolarHBondContact O-NE1 2.79Å; W871-P873 HydrophobicContact CE3-CB 4.24Å; W871-P873 HydrophobicContact CE3-CG 4.06Å; W871-P873 HydrophobicContact CH2-CG 3.94Å; W871-P873 HydrophobicContact CZ3-CB 3.66Å; W871-P873 HydrophobicContact CZ3-CG 3.38Å; W871-L887 CarbonylContact C-O 3.13Å; W871-L887 WeakPolarHBondContact CA-O 3.46Å; W871-L887 WeakPolarHBondContact CB-O 3.41Å; W871-I888 HydrophobicContact CB-CG1 4.15Å |
| 872 | A | 79.6 | Confident | 78.1 | Confident | 58 Ų | 58 | 58 Ų | 58 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 105.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | A886 L887 | A872-A886 CarbonylContact O-C 3.57Å; A872-A886 VanDerWaalsContact O-CA 3.3Å; A872-A886 WeakPolarHBondContact O-CA 3.48Å; A872-L887 PolarHBondContact N-O 3.03Å; A872-L887 PolarHBondContact O-N 3.31Å |
| 873 | P | 73.1 | Confident | 78 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 153.2 | 164.9 | 33.9 | -30.3 | 0 | 0 | 0 | 109.3 | A804 W871 A886 | A804-P873 HydrophobicContact CB-CB 3.84Å; W871-P873 HydrophobicContact CE3-CB 4.24Å; W871-P873 HydrophobicContact CE3-CG 4.06Å; W871-P873 HydrophobicContact CH2-CG 3.94Å; W871-P873 HydrophobicContact CZ3-CB 3.66Å; W871-P873 HydrophobicContact CZ3-CG 3.38Å; P873-A886 HydrophobicContact CB-CB 4.29Å |
| 874 | A | 68.3 | Low | 77.8 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 32% | 0.317 | S | S | . | . | trans | -69.7 | -178.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F876 D883 I885 | A874-F876 PolarHBondContact O-N 3.5Å; A874-D883 HydrophobicContact CB-CB 3.77Å; A874-I885 HydrophobicContact CB-CG2 3.58Å; A874-I885 WeakPolarHBondContact CB-O 3.34Å; A874-I885 PolarHBondContact N-O 2.89Å | ||
| 875 | N | 70.7 | Confident | 77.7 | Confident | 108 Ų | 108 | 61.5 Ų | 61.5 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | trans | -78 | 63.4 | -171.2 | -164.4 | 27.2 | 0 | 0 | 0 | 112.7 | D877 | N875-D877 PolarHBondContact O-N 2.63Š| ||
| 876 | F | 66.2 | Low | 77.5 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 31% | 0.308 | C | S | . | . | trans | -61.8 | 100.9 | -170.1 | 176.3 | -114.2 | 0 | 0 | 0 | 112.7 | A804 H805 N808 A874 V878 K881 T882 D884 | A804-F876 HydrophobicContact CB-CB 3.56Å; A804-F876 HydrophobicContact CB-CD2 4.31Å; A804-F876 HydrophobicContact CB-CG 3.89Å; H805-F876 HydrophobicContact CB-CE1 3.73Å; H805-F876 HydrophobicContact CB-CE2 4.16Å; H805-F876 HydrophobicContact CB-CZ 3.52Å; N808-F876 HydrophobicContact CB-CE1 4.42Å; A874-F876 PolarHBondContact O-N 3.5Å; F876-V878 HydrophobicContact CD1-CG2 4.46Å; F876-V878 HydrophobicContact CE1-CG2 4.38Å; F876-V878 PolarHBondContact O-N 3.23Å; F876-K881 HydrophobicContact CE2-CB 4.45Å; F876-K881 HydrophobicContact CE2-CD 4.08Å; F876-K881 HydrophobicContact CZ-CD 3.86Å; F876-T882 WeakPolarHBondContact CA-O 3.13Å; F876-T882 WeakPolarHBondContact CD2-O 3.27Å; F876-D884 HydrophobicContact CD2-CB 3.69Å; F876-D884 HydrophobicContact CE2-CB 3.66Å | ||
| 877 | D | 68.1 | Low | 77.4 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | trans | -80.4 | 114.7 | 179.6 | -178.8 | 50.9 | 0 | 0 | 0 | 110.7 | N875 P879 T880 K881 T882 | N875-D877 PolarHBondContact O-N 2.63Å; D877-P879 VanDerWaalsContact OD1-CD 3.22Å; D877-P879 WeakPolarHBondContact OD1-CD 3.21Å; D877-P879 WeakPolarHBondContact OD2-CD 3.35Å; D877-T880 WeakPolarHBondContact CB-OG1 3.38Å; D877-T880 PolarHBondContact O-N 2.85Å; D877-T880 VanDerWaalsContact OD2-CB 3.3Å; D877-T880 WeakPolarHBondContact OD2-CB 3.41Å; D877-T880 VanDerWaalsContact OD2-CG2 3.3Å; D877-T880 WeakPolarHBondContact OD2-CG2 3.48Å; D877-T880 PolarHBondContact OD2-N 2.96Å; D877-T880 PolarHBondContact OD2-OG1 2.8Å; D877-K881 VanDerWaalsContact O-CA 3.32Å; D877-K881 WeakPolarHBondContact O-CA 3.1Å; D877-K881 PolarHBondContact O-N 2.86Å; D877-T882 WeakPolarHBondContact CB-OG1 3.25Å; D877-T882 PolarHBondContact N-O 2.81Å | ||
| 878 | V | 65.3 | Low | 77.5 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -37.7 | -170.2 | -167.9 | 0 | 0 | 0 | 0 | 113.2 | N808 F876 K881 | N808-V878 VanDerWaalsContact ND2-CG2 3.3Å; N808-V878 WeakPolarHBondContact ND2-CG2 3.45Å; F876-V878 HydrophobicContact CD1-CG2 4.46Å; F876-V878 HydrophobicContact CE1-CG2 4.38Å; F876-V878 PolarHBondContact O-N 3.23Å; V878-K881 WeakPolarHBondContact O-CD 3.33Å; V878-K881 VanDerWaalsContact O-CE 3.25Å; V878-K881 WeakPolarHBondContact O-CE 3.21Å; V878-K881 PolarHBondContact O-NZ 3.19Å |
| 879 | P | 62.9 | Low | 77.6 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 60% | 0.597 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -50 | 172.7 | -21.1 | 35.4 | 0 | 0 | 0 | 114.1 | D877 F952 | D877-P879 VanDerWaalsContact OD1-CD 3.22Å; D877-P879 WeakPolarHBondContact OD1-CD 3.21Å; D877-P879 WeakPolarHBondContact OD2-CD 3.35Å; P879-F952 WeakPolarHBondContact O-CE1 3.48Å |
| 880 | T | 68.7 | Low | 77.8 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -17.3 | -173.4 | 62 | 0 | 0 | 0 | 0 | 114.8 | D877 T882 | D877-T880 WeakPolarHBondContact CB-OG1 3.38Å; D877-T880 PolarHBondContact O-N 2.85Å; D877-T880 VanDerWaalsContact OD2-CB 3.3Å; D877-T880 WeakPolarHBondContact OD2-CB 3.41Å; D877-T880 VanDerWaalsContact OD2-CG2 3.3Å; D877-T880 WeakPolarHBondContact OD2-CG2 3.48Å; D877-T880 PolarHBondContact OD2-N 2.96Å; D877-T880 PolarHBondContact OD2-OG1 2.8Å; T880-T882 PolarHBondContact O-N 3.45Å; T880-T882 WeakPolarHBondContact OG1-CG2 3.49Å; T880-T882 PolarHBondContact OG1-OG1 3.17Å |
| 881 | K | 67.2 | Low | 78 | Confident | 81 Ų | 81 | 52.7 Ų | 52.7 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | trans | 63.6 | 21.5 | -174.6 | -48.7 | -57.7 | -175.6 | -165.7 | 0 | 114.6 | F876 D877 V878 F952 M958 | F876-K881 HydrophobicContact CE2-CB 4.45Å; F876-K881 HydrophobicContact CE2-CD 4.08Å; F876-K881 HydrophobicContact CZ-CD 3.86Å; D877-K881 VanDerWaalsContact O-CA 3.32Å; D877-K881 WeakPolarHBondContact O-CA 3.1Å; D877-K881 PolarHBondContact O-N 2.86Å; V878-K881 WeakPolarHBondContact O-CD 3.33Å; V878-K881 VanDerWaalsContact O-CE 3.25Å; V878-K881 WeakPolarHBondContact O-CE 3.21Å; V878-K881 PolarHBondContact O-NZ 3.19Å; K881-F952 HydrophobicContact CB-CB 4.28Å; K881-F952 HydrophobicContact CG-CB 4.3Å; K881-F952 HydrophobicContact CG-CD1 4.28Å; K881-F952 HydrophobicContact CG-CG 4.26Å; K881-M958 WeakPolarHBondContact O-CE 2.89Å | ||
| 882 | T | 70 | Confident | 78.4 | Confident | 21 Ų | 21 | 56.4 Ų | 56.4 | 13% | 0.129 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 159.3 | 169.8 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | F876 D877 T880 D884 Q954 | F876-T882 WeakPolarHBondContact CA-O 3.13Å; F876-T882 WeakPolarHBondContact CD2-O 3.27Å; D877-T882 WeakPolarHBondContact CB-OG1 3.25Å; D877-T882 PolarHBondContact N-O 2.81Å; T880-T882 PolarHBondContact O-N 3.45Å; T880-T882 WeakPolarHBondContact OG1-CG2 3.49Å; T880-T882 PolarHBondContact OG1-OG1 3.17Å; T882-D884 PolarHBondContact O-N 2.88Å; T882-D884 VanDerWaalsContact O-N 3.11Å; T882-Q954 HydrophobicContact CG2-CG 4.29Å |
| 883 | D | 74.8 | Confident | 78.8 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 35 | 172.8 | -62.7 | -12.3 | 0 | 0 | 0 | 114.1 | A874 I885 | A874-D883 HydrophobicContact CB-CB 3.77Å; D883-I885 PolarHBondContact O-N 2.84Å |
| 884 | D | 82.7 | Confident | 79.5 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | -75.6 | 53.7 | 177 | -166 | 14.1 | 0 | 0 | 0 | 112.6 | A803 A804 H805 F876 T882 | A803-D884 WeakPolarHBondContact CA-O 3.46Å; A804-D884 PolarHBondContact N-OD1 2.96Å; H805-D884 WeakPolarHBondContact CB-OD1 3.43Å; H805-D884 IonicContact CE1-OD2 2.74Å; H805-D884 IonicContact CG-OD1 3.86Å; H805-D884 IonicContact CG-OD2 2.72Å; H805-D884 PolarHBondContact N-OD1 2.89Å; H805-D884 VanDerWaalsContact ND1-CG 3.32Å; H805-D884 IonicContact ND1-OD1 2.71Å; H805-D884 PolarHBondContact ND1-OD1 2.92Å; H805-D884 VanDerWaalsContact ND1-OD1 3.11Å; H805-D884 IonicContact ND1-OD2 3.9Å; H805-D884 PolarHBondContact ND1-OD2 2.85Å; F876-D884 HydrophobicContact CD2-CB 3.69Å; F876-D884 HydrophobicContact CE2-CB 3.66Å; T882-D884 PolarHBondContact O-N 2.88Å; T882-D884 VanDerWaalsContact O-N 3.11Å | ||
| 885 | I | 86.5 | Confident | 80.3 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | trans | -139.6 | 138.4 | -175.7 | -165.3 | 170.1 | 0 | 0 | 0 | 109.5 | L801 T802 A874 D883 | L801-I885 HydrophobicContact CD1-CD1 3.93Å; L801-I885 HydrophobicContact CD1-CG1 3.75Å; L801-I885 HydrophobicContact CG-CG1 4.47Å; T802-I885 CarbonylContact O-C 3.49Å; T802-I885 WeakPolarHBondContact O-CA 2.98Å; A874-I885 HydrophobicContact CB-CG2 3.58Å; A874-I885 WeakPolarHBondContact CB-O 3.34Å; A874-I885 PolarHBondContact N-O 2.89Å; D883-I885 PolarHBondContact O-N 2.84Å | ||
| 886 | A | 88.2 | Confident | 81 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T802 A804 F807 A872 P873 | T802-A886 HydrophobicContact CG2-CB 4Å; T802-A886 PolarHBondContact N-O 2.77Å; T802-A886 PolarHBondContact O-N 3.23Å; A804-A886 HydrophobicContact CB-CB 4.25Å; F807-A886 HydrophobicContact CD2-CB 4.31Å; F807-A886 HydrophobicContact CE2-CB 3.81Å; A872-A886 CarbonylContact O-C 3.57Å; A872-A886 VanDerWaalsContact O-CA 3.3Å; A872-A886 WeakPolarHBondContact O-CA 3.48Å; P873-A886 HydrophobicContact CB-CB 4.29Å |
| 887 | L | 92.2 | Very high | 81.7 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.2 | 171.2 | -67.4 | 171.9 | 0 | 0 | 0 | 109.7 | I789 V799 I800 L801 W871 A872 | I789-L887 HydrophobicContact CD1-CD2 4.22Å; V799-L887 HydrophobicContact CG1-CB 4.37Å; V799-L887 HydrophobicContact CG1-CD2 3.86Å; I800-L887 CarbonylContact O-C 3.41Å; I800-L887 WeakPolarHBondContact O-CA 3.16Å; L801-L887 HydrophobicContact CB-CD2 4.42Å; L801-L887 HydrophobicContact CD1-CD2 3.54Å; L801-L887 HydrophobicContact CD1-CG 4.37Å; W871-L887 CarbonylContact C-O 3.13Å; W871-L887 WeakPolarHBondContact CA-O 3.46Å; W871-L887 WeakPolarHBondContact CB-O 3.41Å; A872-L887 PolarHBondContact N-O 3.03Å; A872-L887 PolarHBondContact O-N 3.31Å |
| 888 | I | 92.5 | Very high | 82.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.1 | 166.5 | -57.3 | 174 | 0 | 0 | 0 | 108.1 | I773 V799 I800 T802 F807 V847 I849 A868 W871 L890 | I773-I888 HydrophobicContact CD1-CD1 3.59Å; I773-I888 HydrophobicContact CG1-CD1 3.81Å; I773-I888 HydrophobicContact CG2-CD1 4.1Å; V799-I888 WeakPolarHBondContact CA-O 3.32Å; I800-I888 HydrophobicContact CB-CB 4.28Å; I800-I888 HydrophobicContact CG2-CD1 4.45Å; I800-I888 PolarHBondContact N-O 3.22Å; I800-I888 PolarHBondContact O-N 2.85Å; T802-I888 HydrophobicContact CG2-CD1 4.13Å; T802-I888 HydrophobicContact CG2-CG1 4.11Å; F807-I888 HydrophobicContact CE1-CD1 4.5Å; F807-I888 HydrophobicContact CZ-CD1 3.88Å; F807-I888 HydrophobicContact CZ-CG1 3.84Å; V847-I888 HydrophobicContact CG1-CD1 4.16Å; I849-I888 HydrophobicContact CD1-CG2 3.95Å; I849-I888 HydrophobicContact CG1-CD1 4.3Å; I849-I888 HydrophobicContact CG1-CG2 4.42Å; A868-I888 HydrophobicContact CB-CG2 3.56Å; W871-I888 HydrophobicContact CB-CG1 4.15Å; I888-L890 HydrophobicContact CG2-CD2 4.41Å |
| 889 | K | 93.6 | Very high | 82.9 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 120.8 | 165.6 | -170.1 | 68.5 | 172.1 | -177.6 | 0 | 108.8 | D798 V799 A868 K869 A870 | D798-K889 WeakPolarHBondContact OD1-CE 3.4Å; D798-K889 IonicContact OD1-NZ 3.11Å; D798-K889 PolarHBondContact OD1-NZ 2.79Å; D798-K889 WeakPolarHBondContact OD2-CE 3.41Å; D798-K889 IonicContact OD2-NZ 3.63Å; D798-K889 PolarHBondContact OD2-NZ 2.91Å; V799-K889 HydrophobicContact CG2-CD 4.22Å; A868-K889 CarbonylContact C-O 3.49Å; A868-K889 WeakPolarHBondContact CA-O 3.42Å; K869-K889 WeakPolarHBondContact CB-O 3.41Å; K869-K889 PolarHBondContact N-O 3.24Å; A870-K889 HydrophobicContact CB-CB 4.38Å; A870-K889 PolarHBondContact N-O 3.19Å; A870-K889 PolarHBondContact O-N 3.23Å |
| 890 | L | 94 | Very high | 84.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 155.6 | 177.3 | -60.3 | 172.8 | 0 | 0 | 0 | 110.8 | L788 D798 I800 I849 L851 L866 I888 K892 V894 | L788-L890 HydrophobicContact CD1-CD1 4.13Å; D798-L890 HydrophobicContact CB-CB 4.14Å; D798-L890 WeakPolarHBondContact O-CB 3.25Å; D798-L890 WeakPolarHBondContact O-CG 3.35Å; D798-L890 PolarHBondContact O-N 3.28Å; I800-L890 HydrophobicContact CD1-CD1 4.09Å; I800-L890 HydrophobicContact CD1-CD2 3.98Å; I800-L890 HydrophobicContact CD1-CG 4.42Å; I800-L890 HydrophobicContact CG1-CD1 4.27Å; I849-L890 HydrophobicContact CB-CD2 3.96Å; I849-L890 HydrophobicContact CD1-CD2 3.81Å; I849-L890 HydrophobicContact CG1-CD2 3.81Å; I849-L890 HydrophobicContact CG2-CD2 3.97Å; L851-L890 HydrophobicContact CD1-CD1 4.27Å; L866-L890 HydrophobicContact CB-CD2 4.13Å; L866-L890 HydrophobicContact CD1-CB 4.5Å; L866-L890 HydrophobicContact CD1-CD1 3.78Å; L866-L890 HydrophobicContact CD1-CD2 4.13Å; L866-L890 HydrophobicContact CD1-CG 4.35Å; I888-L890 HydrophobicContact CG2-CD2 4.41Å; L890-K892 PolarHBondContact O-N 3.3Å; L890-V894 HydrophobicContact CD1-CG2 4.06Å |
| 891 | E | 91 | Very high | 85.1 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -22.1 | 176.9 | 70.7 | -164.6 | 146.6 | 0 | 0 | 114.2 | L866 R867 | L866-E891 VanDerWaalsContact CA-OE1 3.28Å; L866-E891 WeakPolarHBondContact CA-OE1 3.16Å; R867-E891 PolarHBondContact N-OE1 3.42Å; R867-E891 PolarHBondContact O-N 3.46Å |
| 892 | K | 91 | Very high | 86.1 | Confident | 116 Ų | 116 | 43.3 Ų | 43.3 | 50% | 0.504 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.1 | 176.7 | 60.4 | 176.3 | -178.6 | 173.4 | 0 | 111.3 | L866 L890 | L866-K892 HydrophobicContact CD2-CD 4.2Å; L866-K892 HydrophobicContact CD2-CG 3.93Å; L890-K892 PolarHBondContact O-N 3.3Å |
| 893 | E | 87.8 | Confident | 87 | Confident | 87 Ų | 87 | 44 Ų | 44 | 41% | 0.407 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 140.9 | 169 | -74.5 | 176.2 | 154.3 | 0 | 0 | 111.5 | K792 A796 D798 | K792-E893 IonicContact NZ-OE1 3.88Å; K792-E893 PolarHBondContact NZ-OE1 2.87Å; A796-E893 HydrophobicContact CB-CB 4.49Å; D798-E893 HydrophobicContact CB-CB 4.33Å; D798-E893 HydrophobicContact CB-CG 3.61Å; D798-E893 WeakPolarHBondContact OD2-CG 3.49Å |
| 894 | V | 88 | Confident | 87.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 109.6 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | A796 S797 L851 L866 L890 I900 | A796-V894 CarbonylContact C-O 3.6Å; A796-V894 WeakPolarHBondContact CA-O 3.26Å; S797-V894 PolarHBondContact N-O 2.64Å; S797-V894 WeakPolarHBondContact O-CB 3.24Å; S797-V894 PolarHBondContact O-N 3.11Å; L851-V894 HydrophobicContact CD1-CB 4.42Å; L851-V894 HydrophobicContact CD1-CG1 4.15Å; L851-V894 HydrophobicContact CD1-CG2 3.97Å; L866-V894 HydrophobicContact CD1-CG2 3.35Å; L890-V894 HydrophobicContact CD1-CG2 4.06Å; V894-I900 HydrophobicContact CG1-CD1 4.39Å; V894-I900 HydrophobicContact CG1-CG2 3.75Å |
| 895 | T | 84.3 | Confident | 87.4 | Confident | 87 Ų | 87 | 45 Ų | 45 | 53% | 0.534 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 142.5 | 173.5 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | N795 A796 | N795-T895 CarbonylContact O-C 3.56Å; N795-T895 WeakPolarHBondContact O-CA 3.36Å; A796-T895 HydrophobicContact CB-CG2 4.22Å |
| 896 | Y | 86.4 | Confident | 87 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 146.1 | -175 | -66.4 | -1.1 | 0 | 0 | 0 | 112 | A735 L788 H790 N795 A796 I900 Q901 G902 | A735-Y896 HydrophobicContact CB-CD2 3.84Å; A735-Y896 HydrophobicContact CB-CE2 4.38Å; L788-Y896 HydrophobicContact CD2-CE1 4.08Å; H790-Y896 VanDerWaalsContact CA-OH 3.29Å; H790-Y896 WeakPolarHBondContact CA-OH 3.38Å; H790-Y896 WeakPolarHBondContact CB-OH 3.43Å; H790-Y896 AromaticContact CE1-CE2 3.97Å; H790-Y896 AromaticContact ND1-CE2 3.29Å; H790-Y896 VanDerWaalsContact ND1-CE2 3.29Å; H790-Y896 WeakPolarHBondContact ND1-CE2 3.46Å; H790-Y896 AromaticContact ND1-CZ 3.51Å; H790-Y896 PolarHBondContact ND1-OH 3.2Å; N795-Y896 WeakPolarHBondContact O-CB 3.38Å; N795-Y896 PolarHBondContact O-N 3.14Å; A796-Y896 VanDerWaalsContact C-CE1 3.41Å; A796-Y896 PolarHBondContact O-OH 2.84Å; Y896-I900 CarbonylContact C-O 3.15Å; Y896-I900 WeakPolarHBondContact CA-O 3.24Å; Y896-I900 WeakPolarHBondContact CB-O 3.5Å; Y896-Q901 HydrophobicContact CD2-CB 4.4Å; Y896-G902 VanDerWaalsContact CE2-N 3.35Å; Y896-G902 WeakPolarHBondContact OH-CA 3.49Å; Y896-G902 PolarHBondContact OH-N 2.61Å | ||
| 897 | N | 81 | Confident | 86.2 | Confident | 60 Ų | 60 | 48.6 Ų | 48.6 | 32% | 0.321 | 27% | 0.27 | S | S | . | . | trans | -146.9 | -176.2 | 174.6 | 60.8 | 59.9 | 0 | 0 | 0 | 108.9 | A899 I900 Q901 | N897-A899 PolarHBondContact O-N 3.07Å; N897-A899 VanDerWaalsContact O-N 3.08Å; N897-A899 WeakPolarHBondContact OD1-CA 3.47Å; N897-A899 WeakPolarHBondContact OD1-CB 3.47Å; N897-A899 PolarHBondContact OD1-N 2.81Å; N897-I900 PolarHBondContact N-O 2.88Å; N897-I900 CarbonylContact O-C 3.52Å; N897-I900 PolarHBondContact O-N 2.94Å; N897-I900 PolarHBondContact OD1-N 2.85Å; N897-Q901 WeakPolarHBondContact O-CG 3.17Å | ||
| 898 | A | 75 | Confident | 85.1 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -63.1 | -16.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | F741 F742 | F741-A898 HydrophobicContact CB-CB 4.1Å; F741-A898 HydrophobicContact CD1-CB 4.1Å; F741-A898 HydrophobicContact CD2-CB 4.43Å; F741-A898 HydrophobicContact CG-CB 3.95Å; F742-A898 HydrophobicContact CE2-CB 4.06Å |
| 899 | A | 82.9 | Confident | 83.9 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -108.8 | -17.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H765 P768 V862 N897 | H765-A899 HydrophobicContact CB-CB 4.1Å; H765-A899 WeakPolarHBondContact ND1-CB 3.45Å; P768-A899 WeakPolarHBondContact CA-O 3.42Å; P768-A899 WeakPolarHBondContact CB-O 3.47Å; V862-A899 HydrophobicContact CB-CB 4.01Å; V862-A899 HydrophobicContact CG1-CB 4.39Å; V862-A899 HydrophobicContact CG2-CB 3.67Å; N897-A899 PolarHBondContact O-N 3.07Å; N897-A899 VanDerWaalsContact O-N 3.08Å; N897-A899 WeakPolarHBondContact OD1-CA 3.47Å; N897-A899 WeakPolarHBondContact OD1-CB 3.47Å; N897-A899 PolarHBondContact OD1-N 2.81Å |
| 900 | I | 89.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -132.5 | 113.4 | 179.3 | -55.6 | 175.9 | 0 | 0 | 0 | 108.6 | P768 L788 L851 Q864 V894 Y896 N897 | P768-I900 WeakPolarHBondContact O-CA 3.4Å; L788-I900 HydrophobicContact CD2-CG2 3.61Å; L851-I900 HydrophobicContact CB-CD1 3.84Å; L851-I900 HydrophobicContact CB-CG1 4.18Å; L851-I900 HydrophobicContact CB-CG2 4.26Å; L851-I900 HydrophobicContact CD1-CG2 4.28Å; Q864-I900 HydrophobicContact CB-CD1 4.02Å; Q864-I900 HydrophobicContact CG-CD1 3.68Å; V894-I900 HydrophobicContact CG1-CD1 4.39Å; V894-I900 HydrophobicContact CG1-CG2 3.75Å; Y896-I900 CarbonylContact C-O 3.15Å; Y896-I900 WeakPolarHBondContact CA-O 3.24Å; Y896-I900 WeakPolarHBondContact CB-O 3.5Å; N897-I900 PolarHBondContact N-O 2.88Å; N897-I900 CarbonylContact O-C 3.52Å; N897-I900 PolarHBondContact O-N 2.94Å; N897-I900 PolarHBondContact OD1-N 2.85Å | ||
| 901 | Q | 89 | Confident | 82 | Confident | 15 Ų | 15 | 59.2 Ų | 59.2 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | trans | -146.7 | 148.8 | 179.3 | -56.1 | -178.6 | -57.4 | 0 | 0 | 109.1 | Q739 P768 W769 Y896 N897 | Q739-Q901 PolarHBondContact O-OE1 2.9Å; P768-Q901 CarbonylContact C-O 3.55Å; P768-Q901 HydrophobicContact CB-CB 4.03Å; P768-Q901 HydrophobicContact CB-CG 4.06Å; P768-Q901 HydrophobicContact CG-CB 3.91Å; P768-Q901 HydrophobicContact CG-CG 4.12Å; P768-Q901 PolarHBondContact O-N 2.95Å; P768-Q901 VanDerWaalsContact O-N 3.1Å; W769-Q901 WeakPolarHBondContact CA-O 3.29Å; W769-Q901 VanDerWaalsContact CB-O 3.3Å; W769-Q901 WeakPolarHBondContact CB-O 3.45Å; W769-Q901 PolarHBondContact N-O 3.47Å; Y896-Q901 HydrophobicContact CD2-CB 4.4Å; N897-Q901 WeakPolarHBondContact O-CG 3.17Å | ||
| 902 | G | 88.8 | Confident | 81 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -75 | 139.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | C737 G738 L788 Y896 | C737-G902 WeakPolarHBondContact CA-O 3.47Å; G738-G902 PolarHBondContact N-O 2.91Å; G738-G902 VanDerWaalsContact N-O 3.09Å; L788-G902 WeakPolarHBondContact O-CA 3.41Å; Y896-G902 VanDerWaalsContact CE2-N 3.35Å; Y896-G902 WeakPolarHBondContact OH-CA 3.49Å; Y896-G902 PolarHBondContact OH-N 2.61Å |
| 903 | V | 89.3 | Confident | 80.1 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 147.3 | 162.3 | 72.2 | 0 | 0 | 0 | 0 | 108.9 | W769 L788 I789 H790 | W769-V903 HydrophobicContact CB-CB 3.92Å; W769-V903 HydrophobicContact CB-CG1 4.41Å; W769-V903 HydrophobicContact CD2-CB 3.82Å; W769-V903 HydrophobicContact CD2-CG2 4.16Å; W769-V903 HydrophobicContact CE3-CB 4.15Å; W769-V903 HydrophobicContact CE3-CG2 4.47Å; W769-V903 HydrophobicContact CG-CB 3.72Å; W769-V903 HydrophobicContact CG-CG1 4.46Å; W769-V903 HydrophobicContact CG-CG2 4.41Å; L788-V903 PolarHBondContact O-N 3.44Å; I789-V903 HydrophobicContact CG2-CG1 4.37Å; H790-V903 WeakPolarHBondContact CB-O 3.36Å; H790-V903 PolarHBondContact N-O 2.85Å |
| 904 | C | 84.4 | Confident | 79.4 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 138 | 169.1 | -59.4 | 0 | 0 | 0 | 0 | 109.1 | C737 | C737-C904 VanDerWaalsContact CA-SG 3.58Å; C737-C904 HydrophobicContact CB-CB 3.94Å; C737-C904 WeakPolarHBondContact CB-SG 3.3Å; C737-C904 PolarHBondContact O-SG 2.85Å; C737-C904 WeakPolarHBondContact SG-CA 3.29Å; C737-C904 WeakPolarHBondContact SG-CB 3.36Å; C737-C904 CovalentContact SG-SG 2.04Å; C737-C904 PolarHBondContact SG-SG 2.99Å |
| 905 | L | 81.1 | Confident | 78.5 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 41% | 0.414 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 144 | 151.3 | -69.1 | 176.3 | 0 | 0 | 0 | 108.3 | I789 | I789-L905 HydrophobicContact CB-CD2 4.42Å; I789-L905 HydrophobicContact CB-CG 4.28Å; I789-L905 HydrophobicContact CD1-CD1 3.99Å; I789-L905 HydrophobicContact CG2-CD2 3.86Å; I789-L905 HydrophobicContact CG2-CG 4.27Å |
| 906 | P | 77.3 | Confident | 77.8 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 154.3 | 166.8 | 28.7 | -34.3 | 0 | 0 | 0 | 109.8 | E910 | P906-E910 WeakPolarHBondContact CA-OE2 3.38Å; P906-E910 HydrophobicContact CB-CB 4.22Å |
| 907 | A | 72.6 | Confident | 77 | Confident | 64 Ų | 64 | 64 Ų | 64 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 155.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N909 E910 | A907-N909 PolarHBondContact O-N 2.83Å; A907-N909 VanDerWaalsContact O-N 3.12Å; A907-E910 HydrophobicContact CB-CB 4.22Å; A907-E910 PolarHBondContact N-OE2 2.78Å; A907-E910 WeakPolarHBondContact O-CB 3.29Å; A907-E910 PolarHBondContact O-N 2.67Å |
| 908 | E | 68.9 | Low | 76.7 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 51% | 0.505 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 120.5 | 178.9 | -157.6 | 172.7 | -142.2 | 0 | 0 | 109.4 | E910 K981 | E908-E910 VanDerWaalsContact C-N 3.34Å; E908-K981 HydrophobicContact CG-CB 4.25Å; E908-K981 HydrophobicContact CG-CD 3.99Å; E908-K981 WeakPolarHBondContact OE1-CD 3.34Å; E908-K981 WeakPolarHBondContact OE1-CE 3.34Å; E908-K981 IonicContact OE1-NZ 2.68Å; E908-K981 PolarHBondContact OE1-NZ 3.01Å |
| 909 | N | 65.7 | Low | 76.8 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 23.8 | -172.1 | -30.5 | -94.4 | 0 | 0 | 0 | 116.3 | A907 D911 F980 K981 | A907-N909 PolarHBondContact O-N 2.83Å; A907-N909 VanDerWaalsContact O-N 3.12Å; N909-D911 PolarHBondContact O-N 2.99Å; N909-F980 VanDerWaalsContact CG-C 3.46Å; N909-F980 WeakPolarHBondContact OD1-CA 3.34Å; N909-F980 PolarHBondContact OD1-N 2.8Å; N909-F980 VanDerWaalsContact OD1-N 3.17Å; N909-K981 WeakPolarHBondContact ND2-CA 3.08Å; N909-K981 WeakPolarHBondContact ND2-CB 3.2Å; N909-K981 PolarHBondContact ND2-N 3.24Å; N909-K981 WeakPolarHBondContact OD1-CB 3Å; N909-K981 PolarHBondContact OD1-N 3.27Å; N909-K981 VanDerWaalsContact OD1-N 3.16Å |
| 910 | E | 72.9 | Confident | 76.9 | Confident | 126 Ų | 126 | 66.5 Ų | 66.5 | 59% | 0.589 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 124.6 | 165.6 | -166 | 169.3 | 177.8 | 0 | 0 | 109.7 | P906 A907 E908 | P906-E910 WeakPolarHBondContact CA-OE2 3.38Å; P906-E910 HydrophobicContact CB-CB 4.22Å; A907-E910 HydrophobicContact CB-CB 4.22Å; A907-E910 PolarHBondContact N-OE2 2.78Å; A907-E910 WeakPolarHBondContact O-CB 3.29Å; A907-E910 PolarHBondContact O-N 2.67Å; E908-E910 VanDerWaalsContact C-N 3.34Å |
| 911 | D | 75.1 | Confident | 76.6 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 142 | 177.2 | -77.9 | -48.6 | 0 | 0 | 0 | 110.4 | N909 Q977 F979 | N909-D911 PolarHBondContact O-N 2.99Å; D911-Q977 PolarHBondContact OD1-NE2 3.36Å; D911-F979 VanDerWaalsContact OD1-CD2 3.31Å; D911-F979 WeakPolarHBondContact OD1-CD2 3.34Å |
| 912 | L | 71 | Confident | 76.4 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 144.1 | 173.2 | -73.4 | 171.7 | 0 | 0 | 0 | 110.2 | I959 | L912-I959 HydrophobicContact CD1-CG1 4.21Å; L912-I959 HydrophobicContact CD2-CD1 3.65Å; L912-I959 HydrophobicContact CD2-CG1 4.19Å |
| 913 | P | 71.3 | Confident | 76.4 | Confident | 68 Ų | 68 | 70.6 Ų | 70.6 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 148.7 | 171 | -25.3 | 34 | 0 | 0 | 0 | 111.1 | S917 L943 | P913-S917 WeakPolarHBondContact CB-OG 3.44Å; P913-L943 HydrophobicContact CB-CD1 3.89Å; P913-L943 HydrophobicContact CG-CD1 4.1Å |
| 914 | P | 74.5 | Confident | 76.1 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 149 | -178.8 | -26.9 | 34.2 | 0 | 0 | 0 | 112.5 | S917 | P914-S917 WeakPolarHBondContact O-CB 3.46Å; P914-S917 PolarHBondContact O-N 3.47Å; P914-S917 PolarHBondContact O-OG 2.95Å |
| 915 | P | 68.6 | Low | 75.6 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 149 | 171.8 | -27.1 | 35.2 | 0 | 0 | 0 | 112 | S917 N945 | P915-S917 PolarHBondContact O-N 3.21Å; P915-N945 HydrophobicContact CB-CB 4.18Å; P915-N945 HydrophobicContact CG-CB 3.9Å |
| 916 | E | 69.1 | Low | 75.1 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 1.3 | -169.4 | -49.3 | -178 | 176.6 | 0 | 0 | 115.6 | T918 L943 | E916-T918 PolarHBondContact O-N 3.29Å; E916-L943 PolarHBondContact N-O 3.07Å |
| 917 | S | 70 | Confident | 74.6 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | trans | -57.7 | 132.5 | 168.7 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | P913 P914 P915 Y942 L943 | P913-S917 WeakPolarHBondContact CB-OG 3.44Å; P914-S917 WeakPolarHBondContact O-CB 3.46Å; P914-S917 PolarHBondContact O-N 3.47Å; P914-S917 PolarHBondContact O-OG 2.95Å; P915-S917 PolarHBondContact O-N 3.21Å; S917-Y942 WeakPolarHBondContact O-CA 3.35Å; S917-L943 PolarHBondContact O-N 3.36Å | ||
| 918 | T | 75 | Confident | 73.9 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 130.2 | -176.5 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | F746 E916 Q940 Y942 | F746-T918 HydrophobicContact CD1-CG2 4.22Å; F746-T918 HydrophobicContact CE1-CG2 4.32Å; E916-T918 PolarHBondContact O-N 3.29Å; T918-Q940 HydrophobicContact CG2-CG 3.45Å; T918-Q940 VanDerWaalsContact CG2-CG 3.45Å; T918-Y942 HydrophobicContact CG2-CD1 4.3Å; T918-Y942 HydrophobicContact CG2-CE1 3.93Å; T918-Y942 WeakPolarHBondContact OG1-CE1 3.47Å |
| 919 | C | 77.6 | Confident | 73.6 | Confident | 38 Ų | 38 | 70.5 Ų | 70.5 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.9 | 178.5 | -56 | 0 | 0 | 0 | 0 | 110.6 | T941 | C919-T941 HydrophobicContact CB-CG2 3.77Å; C919-T941 PolarHBondContact N-O 2.83Å; C919-T941 PolarHBondContact O-N 3.25Å |
| 920 | L | 83.6 | Confident | 73.5 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.8 | 172.9 | -68.5 | 173.2 | 0 | 0 | 0 | 110.3 | P744 F746 F939 Q940 | P744-L920 HydrophobicContact CB-CD1 3.37Å; P744-L920 HydrophobicContact CG-CD1 3.9Å; F746-L920 HydrophobicContact CD1-CD1 4.45Å; F746-L920 HydrophobicContact CD1-CD2 4.19Å; F746-L920 HydrophobicContact CD1-CG 4.39Å; F746-L920 HydrophobicContact CE1-CD1 3.74Å; F746-L920 HydrophobicContact CE1-CD2 4.04Å; F746-L920 HydrophobicContact CE1-CG 3.74Å; F746-L920 HydrophobicContact CE2-CD1 4.03Å; F746-L920 HydrophobicContact CZ-CD1 3.49Å; F746-L920 VanDerWaalsContact CZ-CD1 3.49Å; F746-L920 HydrophobicContact CZ-CG 4.03Å; L920-F939 WeakPolarHBondContact CA-O 3.45Å; L920-Q940 HydrophobicContact CD2-CB 4.1Å |
| 921 | V | 82.3 | Confident | 73.4 | Confident | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.418 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 131.8 | 174 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | Q938 F939 T941 | V921-Q938 CarbonylContact O-C 3.55Å; V921-Q938 VanDerWaalsContact O-CA 3.29Å; V921-Q938 WeakPolarHBondContact O-CA 3.37Å; V921-F939 PolarHBondContact N-O 2.83Å; V921-F939 PolarHBondContact O-N 3.31Å; V921-T941 HydrophobicContact CG2-CG2 3.83Å |
| 922 | A | 86.5 | Confident | 72.8 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 151.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q770 L936 Q937 Q938 | Q770-A922 PolarHBondContact NE2-O 3.03Å; A922-L936 HydrophobicContact CB-CD1 4.33Å; A922-Q937 CarbonylContact C-O 3.46Å; A922-Q937 WeakPolarHBondContact CA-O 3.47Å; A922-Q937 VanDerWaalsContact CB-O 3.3Å; A922-Q937 WeakPolarHBondContact CB-O 3.39Å; A922-Q938 HydrophobicContact CB-CB 4.46Å |
| 923 | G | 87.1 | Confident | 72.7 | Confident | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | 174.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | G925 L936 Q937 | G923-G925 VanDerWaalsContact C-N 3.32Å; G923-L936 VanDerWaalsContact CA-CD1 3.47Å; G923-Q937 PolarHBondContact N-O 3.43Å; G923-Q937 PolarHBondContact O-N 2.98Å |
| 924 | W | 84.5 | Confident | 73.1 | Confident | 21 Ų | 21 | 70.4 Ų | 70.4 | 8% | 0.08 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -98.1 | 32.8 | 174.5 | -59.5 | -87.9 | 0 | 0 | 0 | 112.5 | Q770 L772 L853 H854 L856 T934 L936 | Q770-W924 HydrophobicContact CB-CH2 4.38Å; Q770-W924 HydrophobicContact CG-CH2 3.49Å; Q770-W924 VanDerWaalsContact CG-CH2 3.49Å; Q770-W924 HydrophobicContact CG-CZ2 4.49Å; Q770-W924 HydrophobicContact CG-CZ3 3.56Å; L772-W924 HydrophobicContact CB-CE3 4.2Å; L772-W924 HydrophobicContact CB-CH2 4.36Å; L772-W924 HydrophobicContact CB-CZ3 3.84Å; L772-W924 HydrophobicContact CD1-CE3 4Å; L772-W924 HydrophobicContact CD1-CZ3 4.47Å; L853-W924 HydrophobicContact CB-CZ2 4.25Å; L853-W924 HydrophobicContact CG-CZ2 4.43Å; L853-W924 WeakPolarHBondContact O-CZ2 3.48Å; H854-W924 PolarHBondContact O-NE1 3.42Å; L856-W924 HydrophobicContact CD1-CB 4.08Å; L856-W924 HydrophobicContact CD1-CG 4.19Å; L856-W924 HydrophobicContact CD2-CG 4.45Å; L856-W924 HydrophobicContact CG-CG 4.23Å; W924-T934 VanDerWaalsContact CD1-O 3.27Å; W924-L936 HydrophobicContact CD2-CD1 3.95Å; W924-L936 HydrophobicContact CE3-CD1 4.14Å; W924-L936 HydrophobicContact CH2-CD1 4.05Å; W924-L936 HydrophobicContact CZ2-CB 3.99Å; W924-L936 HydrophobicContact CZ2-CD1 3.84Å; W924-L936 HydrophobicContact CZ2-CD2 4.39Å; W924-L936 HydrophobicContact CZ2-CG 4.29Å; W924-L936 HydrophobicContact CZ3-CD1 4.19Å |
| 925 | G | 74.3 | Confident | 73.6 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | trans | -64.8 | -175.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | G923 L927 G933 | G923-G925 VanDerWaalsContact C-N 3.32Å; G925-L927 PolarHBondContact O-N 3.06Å; G925-G933 PolarHBondContact O-N 3.21Å | ||
| 926 | R | 69.5 | Low | 74.6 | Confident | 196 Ų | 196 | 63.8 Ų | 63.8 | 74% | 0.74 | 33% | 0.329 | S | S | * | . | B | Isolated β-bridge | trans | -68.5 | 130.5 | 171 | -152.8 | 178.8 | -140.4 | 152.5 | 5 | 109.3 | G930 R931 | R926-G930 VanDerWaalsContact CG-O 3.31Å; R926-G930 WeakPolarHBondContact CG-O 3.37Å; R926-G930 PolarHBondContact NE-O 2.77Å; R926-R931 CarbonylContact C-O 3.5Å; R926-R931 WeakPolarHBondContact CA-O 3.17Å |
| 927 | L | 66 | Low | 75.4 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | trans | -78.7 | 165.9 | 174 | -46.6 | 169.8 | 0 | 0 | 0 | 109.2 | N754 G925 D929 G930 R931 Q937 | N754-L927 WeakPolarHBondContact O-CD1 3.44Å; G925-L927 PolarHBondContact O-N 3.06Å; L927-D929 PolarHBondContact O-N 2.88Å; L927-D929 VanDerWaalsContact O-N 3.12Å; L927-G930 PolarHBondContact O-N 2.69Å; L927-R931 HydrophobicContact CD1-CB 4.35Å; L927-R931 PolarHBondContact N-O 3.13Å; L927-Q937 HydrophobicContact CD2-CG 4.01Å | ||
| 928 | L | 58 | Low | 76.1 | Confident | 106 Ų | 106 | 54.7 Ų | 54.7 | 56% | 0.555 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.5 | 176.6 | -76.9 | 168.5 | 0 | 0 | 0 | 114.2 | R755 G930 | R755-L928 PolarHBondContact O-N 3.32Å; L928-G930 PolarHBondContact O-N 3.14Å |
| 929 | D | 64.4 | Low | 76.1 | Confident | 58 Ų | 58 | 53 Ų | 53 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 6.7 | 177.2 | 71.4 | 0.2 | 0 | 0 | 0 | 114.3 | N754 L927 R931 | N754-D929 HydrophobicContact CB-CB 4.35Å; N754-D929 WeakPolarHBondContact ND2-CB 3.29Å; N754-D929 PolarHBondContact ND2-OD2 2.88Å; L927-D929 PolarHBondContact O-N 2.88Å; L927-D929 VanDerWaalsContact O-N 3.12Å; D929-R931 PolarHBondContact O-N 3.19Å; D929-R931 WeakPolarHBondContact OD1-CB 3.32Å; D929-R931 WeakPolarHBondContact OD1-CG 3.44Å; D929-R931 PolarHBondContact OD1-N 3.43Å; D929-R931 WeakPolarHBondContact OD2-CD 3.29Å; D929-R931 IonicContact OD2-NE 3.63Å |
| 930 | G | 63.2 | Low | 76 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 79.8 | -8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R926 L927 L928 | R926-G930 VanDerWaalsContact CG-O 3.31Å; R926-G930 WeakPolarHBondContact CG-O 3.37Å; R926-G930 PolarHBondContact NE-O 2.77Å; L927-G930 PolarHBondContact O-N 2.69Å; L928-G930 PolarHBondContact O-N 3.14Å |
| 931 | R | 69.4 | Low | 75.5 | Confident | 180 Ų | 180 | 50.2 Ų | 50.2 | 68% | 0.679 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 161.9 | 174.5 | -56.9 | 179 | 177.1 | 168.8 | -4 | 110.2 | R926 L927 D929 | R926-R931 CarbonylContact C-O 3.5Å; R926-R931 WeakPolarHBondContact CA-O 3.17Å; L927-R931 HydrophobicContact CD1-CB 4.35Å; L927-R931 PolarHBondContact N-O 3.13Å; D929-R931 PolarHBondContact O-N 3.19Å; D929-R931 WeakPolarHBondContact OD1-CB 3.32Å; D929-R931 WeakPolarHBondContact OD1-CG 3.44Å; D929-R931 PolarHBondContact OD1-N 3.43Å; D929-R931 WeakPolarHBondContact OD2-CD 3.29Å; D929-R931 IonicContact OD2-NE 3.63Å |
| 932 | R | 64.3 | Low | 74.9 | Confident | 154 Ų | 154 | 49.6 Ų | 49.6 | 58% | 0.581 | 24% | 0.242 | S | C | * | . | B | Isolated β-bridge | trans | -88.2 | 133.4 | 169 | -75.7 | -179.7 | 171.9 | 167.6 | -4.7 | 109.3 | T934 | R932-T934 PolarHBondContact O-N 3.21Å |
| 933 | G | 68.1 | Low | 74.3 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 129.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.3 | G925 | G925-G933 PolarHBondContact O-N 3.21Š|
| 934 | T | 79.4 | Confident | 73.4 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -85 | -39.5 | 173.5 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | D855 L856 K857 W924 R932 | D855-T934 CarbonylContact C-O 3.56Å; D855-T934 WeakPolarHBondContact CA-O 3.46Å; D855-T934 VanDerWaalsContact OD1-C 3.3Å; D855-T934 WeakPolarHBondContact OD1-CB 3.46Å; D855-T934 PolarHBondContact OD1-OG1 3.05Å; D855-T934 VanDerWaalsContact OD1-OG1 3.05Å; L856-T934 WeakPolarHBondContact CG-O 3.28Å; L856-T934 PolarHBondContact N-O 3.27Å; K857-T934 HydrophobicContact CD-CG2 3.76Å; K857-T934 HydrophobicContact CG-CG2 3.9Å; W924-T934 VanDerWaalsContact CD1-O 3.27Å; R932-T934 PolarHBondContact O-N 3.21Å |
| 935 | T | 85.8 | Confident | 72.3 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 150.8 | 169 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | E761 H854 D855 Q937 | E761-T935 VanDerWaalsContact CD-OG1 3.31Å; E761-T935 VanDerWaalsContact OE1-CB 3.3Å; E761-T935 WeakPolarHBondContact OE1-CB 3.39Å; E761-T935 VanDerWaalsContact OE1-CG2 3.27Å; E761-T935 WeakPolarHBondContact OE1-CG2 3.43Å; E761-T935 PolarHBondContact OE1-OG1 2.92Å; E761-T935 PolarHBondContact OE2-OG1 3.45Å; H854-T935 CarbonylContact O-C 3.47Å; H854-T935 WeakPolarHBondContact O-CA 3.26Å; D855-T935 HydrophobicContact CB-CG2 3.9Å; T935-Q937 PolarHBondContact O-NE2 3.38Å; T935-Q937 PolarHBondContact OG1-NE2 3.45Å |
| 936 | L | 88.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -64.2 | 131.8 | 175.1 | -179.3 | 63.3 | 0 | 0 | 0 | 109.9 | A762 H767 Q770 H854 A922 G923 W924 | A762-L936 HydrophobicContact CB-CB 4.05Å; A762-L936 HydrophobicContact CB-CD2 3.83Å; A762-L936 HydrophobicContact CB-CG 3.72Å; A762-L936 WeakPolarHBondContact CB-O 3.31Å; A762-L936 PolarHBondContact N-O 3.34Å; H767-L936 HydrophobicContact CB-CD2 4.27Å; Q770-L936 HydrophobicContact CB-CD2 4.34Å; Q770-L936 HydrophobicContact CG-CD1 3.91Å; Q770-L936 HydrophobicContact CG-CD2 4.13Å; H854-L936 PolarHBondContact O-N 3.08Å; A922-L936 HydrophobicContact CB-CD1 4.33Å; G923-L936 VanDerWaalsContact CA-CD1 3.47Å; W924-L936 HydrophobicContact CD2-CD1 3.95Å; W924-L936 HydrophobicContact CE3-CD1 4.14Å; W924-L936 HydrophobicContact CH2-CD1 4.05Å; W924-L936 HydrophobicContact CZ2-CB 3.99Å; W924-L936 HydrophobicContact CZ2-CD1 3.84Å; W924-L936 HydrophobicContact CZ2-CD2 4.39Å; W924-L936 HydrophobicContact CZ2-CG 4.29Å; W924-L936 HydrophobicContact CZ3-CD1 4.19Å | ||
| 937 | Q | 86.5 | Confident | 70.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 153 | 175.3 | -51 | -53.6 | -50.4 | 0 | 0 | 110.4 | R755 I756 I760 E761 A922 G923 L927 T935 | R755-Q937 HydrophobicContact CB-CG 4.44Å; I756-Q937 HydrophobicContact CB-CB 4.35Å; I756-Q937 HydrophobicContact CD1-CB 3.78Å; I756-Q937 HydrophobicContact CG1-CB 3.8Å; I756-Q937 HydrophobicContact CG1-CG 4.34Å; I760-Q937 CarbonylContact O-C 3.58Å; I760-Q937 WeakPolarHBondContact O-CA 3.33Å; I760-Q937 PolarHBondContact O-OE1 2.79Å; E761-Q937 VanDerWaalsContact CA-OE1 3.32Å; A922-Q937 CarbonylContact C-O 3.46Å; A922-Q937 WeakPolarHBondContact CA-O 3.47Å; A922-Q937 VanDerWaalsContact CB-O 3.3Å; A922-Q937 WeakPolarHBondContact CB-O 3.39Å; G923-Q937 PolarHBondContact N-O 3.43Å; G923-Q937 PolarHBondContact O-N 2.98Å; L927-Q937 HydrophobicContact CD2-CG 4.01Å; T935-Q937 PolarHBondContact O-NE2 3.38Å; T935-Q937 PolarHBondContact OG1-NE2 3.45Å |
| 938 | Q | 84.9 | Confident | 70.5 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.6 | 173.3 | 67.8 | -176 | -37.1 | 0 | 0 | 110.3 | I745 G759 I760 E761 A762 H767 V921 A922 | I745-Q938 VanDerWaalsContact N-OE1 3.09Å; G759-Q938 CarbonylContact C-O 3.57Å; G759-Q938 WeakPolarHBondContact CA-O 3.21Å; I760-Q938 HydrophobicContact CD1-CG 4.45Å; I760-Q938 HydrophobicContact CG1-CG 3.73Å; I760-Q938 PolarHBondContact N-O 2.68Å; I760-Q938 PolarHBondContact O-N 3.45Å; I760-Q938 VanDerWaalsContact O-O 3.08Å; E761-Q938 PolarHBondContact O-NE2 3.14Å; A762-Q938 HydrophobicContact CB-CB 4.32Å; A762-Q938 HydrophobicContact CB-CG 4.47Å; H767-Q938 PolarHBondContact CE1-OE1 3.29Å; V921-Q938 CarbonylContact O-C 3.55Å; V921-Q938 VanDerWaalsContact O-CA 3.29Å; V921-Q938 WeakPolarHBondContact O-CA 3.37Å; A922-Q938 HydrophobicContact CB-CB 4.46Å |
| 939 | F | 74 | Confident | 70.6 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 140.6 | 175.3 | 174.8 | -111.6 | 0 | 0 | 0 | 111 | N758 L920 V921 | N758-F939 HydrophobicContact CB-CD2 4.27Å; N758-F939 HydrophobicContact CB-CE2 3.77Å; N758-F939 WeakPolarHBondContact O-CD2 3.02Å; L920-F939 WeakPolarHBondContact CA-O 3.45Å; V921-F939 PolarHBondContact N-O 2.83Å; V921-F939 PolarHBondContact O-N 3.31Å |
| 940 | Q | 75.4 | Confident | 70.4 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.8 | 177.3 | -175.8 | 177.7 | -50.2 | 0 | 0 | 110.9 | F746 S747 T918 L920 Y942 | F746-Q940 VanDerWaalsContact CA-OE1 3.25Å; S747-Q940 PolarHBondContact O-OE1 3.11Å; T918-Q940 HydrophobicContact CG2-CG 3.45Å; T918-Q940 VanDerWaalsContact CG2-CG 3.45Å; L920-Q940 HydrophobicContact CD2-CB 4.1Å; Q940-Y942 PolarHBondContact NE2-OH 3.43Å |
| 941 | T | 73.3 | Confident | 70.6 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 175 | -177.8 | -166.4 | 0 | 0 | 0 | 0 | 110.3 | C919 V921 T961 G962 | C919-T941 HydrophobicContact CB-CG2 3.77Å; C919-T941 PolarHBondContact N-O 2.83Å; C919-T941 PolarHBondContact O-N 3.25Å; V921-T941 HydrophobicContact CG2-CG2 3.83Å; T941-T961 HydrophobicContact CG2-CG2 4.05Å; T941-T961 WeakPolarHBondContact CG2-OG1 3.48Å; T941-T961 VanDerWaalsContact OG1-CB 3.28Å; T941-T961 WeakPolarHBondContact OG1-CB 3.5Å; T941-T961 PolarHBondContact OG1-OG1 3.22Å; T941-T961 VanDerWaalsContact OG1-OG1 3.05Å; T941-G962 PolarHBondContact OG1-N 3.39Å; T941-G962 PolarHBondContact OG1-O 2Å; T941-G962 VanDerWaalsContact OG1-O 3.07Å |
| 942 | Y | 71.1 | Confident | 70.3 | Confident | 55 Ų | 55 | 49.4 Ų | 49.4 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.4 | 179.7 | -50 | -88.1 | 0 | 0 | 0 | 111.5 | S917 T918 Q940 I944 T961 G962 | S917-Y942 WeakPolarHBondContact O-CA 3.35Å; T918-Y942 HydrophobicContact CG2-CD1 4.3Å; T918-Y942 HydrophobicContact CG2-CE1 3.93Å; T918-Y942 WeakPolarHBondContact OG1-CE1 3.47Å; Q940-Y942 PolarHBondContact NE2-OH 3.43Å; Y942-I944 PolarHBondContact O-N 2.96Å; Y942-T961 CarbonylContact O-C 3.59Å; Y942-T961 WeakPolarHBondContact O-CA 3.43Å; Y942-T961 WeakPolarHBondContact O-CB 3.46Å; Y942-G962 WeakPolarHBondContact CD2-O 3.37Å; Y942-G962 PolarHBondContact N-O 3.11Å; Y942-G962 PolarHBondContact O-N 2.9Å |
| 943 | L | 72.9 | Confident | 70.4 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 123.7 | 175.6 | -94.2 | 152.5 | 0 | 0 | 0 | 111.9 | P913 E916 S917 I959 | P913-L943 HydrophobicContact CB-CD1 3.89Å; P913-L943 HydrophobicContact CG-CD1 4.1Å; E916-L943 PolarHBondContact N-O 3.07Å; S917-L943 PolarHBondContact O-N 3.36Å; L943-I959 HydrophobicContact CD2-CG2 3.46Å; L943-I959 VanDerWaalsContact CD2-CG2 3.46Å |
| 944 | I | 69 | Low | 70.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | trans | -99.6 | 134 | 175.8 | -45.6 | 176.4 | 0 | 0 | 0 | 110 | Y942 G946 C960 C975 | Y942-I944 PolarHBondContact O-N 2.96Å; I944-G946 VanDerWaalsContact C-N 3.35Å; I944-G946 PolarHBondContact O-N 3.11Å; I944-G946 VanDerWaalsContact O-N 3.1Å; I944-C960 PolarHBondContact N-O 2.86Å; I944-C975 PolarHBondContact O-SG 3.11Å | ||
| 945 | N | 61.4 | Low | 69.7 | Low | 87 Ų | 87 | 49.5 Ų | 49.5 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | trans | -80.1 | 78.5 | 165.9 | -158.6 | -8.2 | 0 | 0 | 0 | 109.7 | P915 F974 | P915-N945 HydrophobicContact CB-CB 4.18Å; P915-N945 HydrophobicContact CG-CB 3.9Å; N945-F974 PolarHBondContact O-N 2.87Å | ||
| 946 | G | 58.3 | Low | 68.9 | Low | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -136.8 | 108.2 | -156.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | I944 V948 E973 C975 | I944-G946 VanDerWaalsContact C-N 3.35Å; I944-G946 PolarHBondContact O-N 3.11Å; I944-G946 VanDerWaalsContact O-N 3.1Å; G946-V948 VanDerWaalsContact C-N 3.31Å; G946-V948 PolarHBondContact O-N 2.75Å; G946-E973 VanDerWaalsContact CA-C 3.47Å; G946-C975 VanDerWaalsContact N-N 3.14Å; G946-C975 PolarHBondContact N-SG 3.34Å; G946-C975 WeakPolarHBondContact O-CB 3.1Å | ||
| 947 | T | 55.7 | Low | 68 | Low | 49 Ų | 49 | 60.5 Ų | 60.5 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | trans | -73.3 | 95.5 | 156 | 31 | 0 | 0 | 0 | 0 | 105.7 | N949 K955 E973 F974 C975 | T947-N949 PolarHBondContact O-N 2.76Å; T947-K955 HydrophobicContact CG2-CD 4.26Å; T947-E973 WeakPolarHBondContact CA-O 3.38Å; T947-E973 WeakPolarHBondContact CB-O 3.36Å; T947-E973 PolarHBondContact N-O 3.3Å; T947-E973 VanDerWaalsContact O-O 3.12Å; T947-E973 PolarHBondContact OG1-O 3.08Å; T947-F974 WeakPolarHBondContact OG1-CA 3.46Å; T947-C975 VanDerWaalsContact N-N 3.15Å | ||
| 948 | V | 57 | Low | 67.5 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 34% | 0.339 | 32% | 0.322 | S | S | . | . | trans | -63.4 | 127.8 | 167.7 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | G946 N950 F953 C960 | G946-V948 VanDerWaalsContact C-N 3.31Å; G946-V948 PolarHBondContact O-N 2.75Å; V948-N950 HydrophobicContact CG1-CB 3.8Å; V948-N950 PolarHBondContact O-N 3.18Å; V948-F953 HydrophobicContact CB-CB 4.48Å; V948-F953 HydrophobicContact CB-CD1 4.42Å; V948-F953 HydrophobicContact CB-CG 4.26Å; V948-C960 HydrophobicContact CG2-CB 4.09Å; V948-C960 WeakPolarHBondContact CG2-SG 3.3Å | ||
| 949 | N | 59.8 | Low | 67 | Low | 124 Ų | 124 | 68.2 Ų | 68.2 | 66% | 0.663 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -71.6 | 64.2 | 174.3 | -77.6 | -36.4 | 0 | 0 | 0 | 110.2 | T947 Q972 | T947-N949 PolarHBondContact O-N 2.76Å; N949-Q972 PolarHBondContact ND2-OE1 2.86Å |
| 950 | N | 60.8 | Low | 66.9 | Low | 72 Ų | 72 | 67.5 Ų | 67.5 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -130.4 | 118.7 | 177.9 | 177.3 | -10 | 0 | 0 | 0 | 106.7 | V948 F952 F953 | V948-N950 HydrophobicContact CG1-CB 3.8Å; V948-N950 PolarHBondContact O-N 3.18Å; N950-F952 PolarHBondContact O-N 3.42Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.45Å; N950-F952 PolarHBondContact OD1-N 3.17Å; N950-F952 VanDerWaalsContact OD1-N 3.12Å; N950-F953 HydrophobicContact CB-CB 4.14Å; N950-F953 WeakPolarHBondContact O-CB 3.24Å; N950-F953 PolarHBondContact O-N 2.8Å | ||
| 951 | P | 66.1 | Low | 66.6 | Low | 123 Ų | 123 | 69.2 Ų | 69.2 | 80% | 0.799 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -13.6 | -175 | 27 | -36 | 0 | 0 | 0 | 114.2 | ||
| 952 | F | 64.7 | Low | 66.2 | Low | 96 Ų | 96 | 70.1 Ų | 70.1 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.1 | 175.2 | -48 | -62.4 | 0 | 0 | 0 | 113.3 | P879 K881 N950 Q954 M958 | P879-F952 WeakPolarHBondContact O-CE1 3.48Å; K881-F952 HydrophobicContact CB-CB 4.28Å; K881-F952 HydrophobicContact CG-CB 4.3Å; K881-F952 HydrophobicContact CG-CD1 4.28Å; K881-F952 HydrophobicContact CG-CG 4.26Å; N950-F952 PolarHBondContact O-N 3.42Å; N950-F952 WeakPolarHBondContact OD1-CD2 3.45Å; N950-F952 PolarHBondContact OD1-N 3.17Å; N950-F952 VanDerWaalsContact OD1-N 3.12Å; F952-Q954 PolarHBondContact O-N 3.32Å; F952-M958 WeakPolarHBondContact O-CE 3.22Å |
| 953 | F | 66.4 | Low | 65.5 | Low | 29 Ų | 29 | 70.2 Ų | 70.2 | 13% | 0.127 | 38% | 0.378 | C | S | . | . | trans | -81.1 | 114.4 | -179.6 | 175.4 | -97.9 | 0 | 0 | 0 | 110.9 | V948 N950 K955 M958 C960 C975 | V948-F953 HydrophobicContact CB-CB 4.48Å; V948-F953 HydrophobicContact CB-CD1 4.42Å; V948-F953 HydrophobicContact CB-CG 4.26Å; N950-F953 HydrophobicContact CB-CB 4.14Å; N950-F953 WeakPolarHBondContact O-CB 3.24Å; N950-F953 PolarHBondContact O-N 2.8Å; F953-K955 HydrophobicContact CE1-CB 4.3Å; F953-M958 HydrophobicContact CD2-CB 3.66Å; F953-M958 HydrophobicContact CD2-CG 4.49Å; F953-M958 HydrophobicContact CD2-SD 4.08Å; F953-M958 HydrophobicContact CE2-CB 3.38Å; F953-M958 WeakPolarHBondContact CE2-O 3.42Å; F953-M958 HydrophobicContact CZ-CB 4.27Å; F953-M958 WeakPolarHBondContact CZ-O 3.47Å; F953-C960 WeakPolarHBondContact CE2-SG 2.98Å; F953-C975 HydrophobicContact CZ-CB 4.44Å | ||
| 954 | Q | 65.8 | Low | 64.3 | Low | 77 Ų | 77 | 77.8 Ų | 77.8 | 36% | 0.36 | 41% | 0.413 | S | S | . | . | trans | -101.9 | 113 | 176.3 | -66.4 | -159.3 | -15 | 0 | 0 | 111.8 | T882 F952 E956 L957 M958 | T882-Q954 HydrophobicContact CG2-CG 4.29Å; F952-Q954 PolarHBondContact O-N 3.32Å; Q954-E956 PolarHBondContact O-N 3.14Å; Q954-L957 HydrophobicContact CB-CB 4.38Å; Q954-L957 PolarHBondContact O-N 3.12Å; Q954-M958 WeakPolarHBondContact O-CB 3.48Å; Q954-M958 PolarHBondContact O-N 3.26Å | ||
| 955 | K | 66.3 | Low | 62.9 | Low | 95 Ų | 95 | 76.5 Ų | 76.5 | 41% | 0.413 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -31.1 | -175.3 | 173.9 | 164.5 | 168.3 | 150.2 | 0 | 114.7 | T947 F953 F974 C975 G976 | T947-K955 HydrophobicContact CG2-CD 4.26Å; F953-K955 HydrophobicContact CE1-CB 4.3Å; K955-F974 PolarHBondContact NZ-O 3.41Å; K955-C975 VanDerWaalsContact CE-O 3.26Å; K955-C975 WeakPolarHBondContact CE-O 3.22Å; K955-C975 HydrophobicContact CG-CB 4.37Å; K955-C975 PolarHBondContact NZ-O 3.02Å; K955-G976 VanDerWaalsContact CE-N 3.31Å; K955-G976 WeakPolarHBondContact CG-O 3.11Å; K955-G976 VanDerWaalsContact O-O 3.06Å |
| 956 | E | 68.3 | Low | 61.5 | Low | 153 Ų | 153 | 81.2 Ų | 81.2 | 72% | 0.715 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -20.8 | -177.8 | -61.3 | -178.6 | -177.8 | 0 | 0 | 114 | Q954 | Q954-E956 PolarHBondContact O-N 3.14Š|
| 957 | L | 71.1 | Confident | 60 | Low | 107 Ų | 107 | 89 Ų | 89 | 56% | 0.56 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -12.9 | -175.7 | -61.1 | -177.6 | 0 | 0 | 0 | 113.9 | Q954 | Q954-L957 HydrophobicContact CB-CB 4.38Å; Q954-L957 PolarHBondContact O-N 3.12Å |
| 958 | M | 74.6 | Confident | 58.7 | Low | 59 Ų | 59 | 92.8 Ų | 92.8 | 29% | 0.291 | 49% | 0.493 | S | S | . | . | trans | -128.7 | 142.5 | -171.8 | -61.2 | -174.2 | -177 | 0 | 0 | 112.7 | K881 F952 F953 Q954 | K881-M958 WeakPolarHBondContact O-CE 2.89Å; F952-M958 WeakPolarHBondContact O-CE 3.22Å; F953-M958 HydrophobicContact CD2-CB 3.66Å; F953-M958 HydrophobicContact CD2-CG 4.49Å; F953-M958 HydrophobicContact CD2-SD 4.08Å; F953-M958 HydrophobicContact CE2-CB 3.38Å; F953-M958 WeakPolarHBondContact CE2-O 3.42Å; F953-M958 HydrophobicContact CZ-CB 4.27Å; F953-M958 WeakPolarHBondContact CZ-O 3.47Å; Q954-M958 WeakPolarHBondContact O-CB 3.48Å; Q954-M958 PolarHBondContact O-N 3.26Å | ||
| 959 | I | 75.1 | Confident | 57.2 | Low | 109 Ų | 109 | 94.5 Ų | 94.5 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | trans | -111.4 | 139.1 | 179.5 | -58.1 | 164.5 | 0 | 0 | 0 | 109.1 | L912 L943 | L912-I959 HydrophobicContact CD1-CG1 4.21Å; L912-I959 HydrophobicContact CD2-CD1 3.65Å; L912-I959 HydrophobicContact CD2-CG1 4.19Å; L943-I959 HydrophobicContact CD2-CG2 3.46Å; L943-I959 VanDerWaalsContact CD2-CG2 3.46Å | ||
| 960 | C | 70.9 | Confident | 55.6 | Low | 20 Ų | 20 | 92.8 Ų | 92.8 | 14% | 0.135 | 52% | 0.524 | C | S | . | . | trans | -110.9 | 141.1 | 174.4 | -71.4 | 0 | 0 | 0 | 0 | 113 | I944 V948 F953 | I944-C960 PolarHBondContact N-O 2.86Å; V948-C960 HydrophobicContact CG2-CB 4.09Å; V948-C960 WeakPolarHBondContact CG2-SG 3.3Å; F953-C960 WeakPolarHBondContact CE2-SG 2.98Å | ||
| 961 | T | 69.6 | Low | 53.8 | Low | 62 Ų | 62 | 100 Ų | 100 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.2 | 174 | 73.2 | 0 | 0 | 0 | 0 | 110.4 | T941 Y942 | T941-T961 HydrophobicContact CG2-CG2 4.05Å; T941-T961 WeakPolarHBondContact CG2-OG1 3.48Å; T941-T961 VanDerWaalsContact OG1-CB 3.28Å; T941-T961 WeakPolarHBondContact OG1-CB 3.5Å; T941-T961 PolarHBondContact OG1-OG1 3.22Å; T941-T961 VanDerWaalsContact OG1-OG1 3.05Å; Y942-T961 CarbonylContact O-C 3.59Å; Y942-T961 WeakPolarHBondContact O-CA 3.43Å; Y942-T961 WeakPolarHBondContact O-CB 3.46Å |
| 962 | G | 64.7 | Low | 51.8 | Low | 23 Ų | 23 | 99.8 Ų | 99.8 | 24% | 0.237 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 173.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T941 Y942 | T941-G962 PolarHBondContact OG1-N 3.39Å; T941-G962 PolarHBondContact OG1-O 2Å; T941-G962 VanDerWaalsContact OG1-O 3.07Å; Y942-G962 WeakPolarHBondContact CD2-O 3.37Å; Y942-G962 PolarHBondContact N-O 3.11Å; Y942-G962 PolarHBondContact O-N 2.9Å |
| 963 | S | 56.3 | Low | 49.8 | Very low | 57 Ų | 57 | 99.9 Ų | 99.9 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | trans | -124.2 | 141 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 111 | A965 | S963-A965 PolarHBondContact O-N 3.01Å; S963-A965 VanDerWaalsContact OG-CB 3.28Å; S963-A965 WeakPolarHBondContact OG-CB 3.3Å; S963-A965 PolarHBondContact OG-N 3Å; S963-A965 VanDerWaalsContact OG-N 3.1Å | ||
| 964 | E | 48.3 | Very low | 47.8 | Very low | 177 Ų | 177 | 105 Ų | 105 | 83% | 0.827 | 56% | 0.558 | S | S | * | * | trans | -73.5 | -8.5 | 168.2 | -66.9 | -165.9 | 123.3 | 0 | 0 | 113 | K966 | E964-K966 VanDerWaalsContact C-N 3.33Å; E964-K966 PolarHBondContact O-N 3.3Å | ||
| 965 | A | 39.9 | Very low | 45.7 | Very low | 31 Ų | 31 | 102.5 Ų | 102.5 | 26% | 0.256 | 55% | 0.55 | S | S | . | . | trans | -69 | 86 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S963 | S963-A965 PolarHBondContact O-N 3.01Å; S963-A965 VanDerWaalsContact OG-CB 3.28Å; S963-A965 WeakPolarHBondContact OG-CB 3.3Å; S963-A965 PolarHBondContact OG-N 3Å; S963-A965 VanDerWaalsContact OG-N 3.1Å | ||
| 966 | K | 30.7 | Very low | 43.6 | Very low | 187 Ų | 187 | 99.2 Ų | 99.2 | 81% | 0.813 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -4 | 116.2 | 160.9 | -62 | 171.2 | -178.6 | 171.7 | 0 | 115.6 | E964 | E964-K966 VanDerWaalsContact C-N 3.33Å; E964-K966 PolarHBondContact O-N 3.3Å |
| 967 | N | 28.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 97.3 Ų | 97.3 | 87% | 0.866 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 133.3 | 13.2 | 146.4 | -66.8 | -14.2 | 0 | 0 | 0 | 118.3 | ||
| 968 | T | 27.8 | Very low | 39.1 | Very low | 130 Ų | 130 | 96.7 Ų | 96.7 | 80% | 0.798 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -135.5 | 89.2 | 164.3 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | A970 | T968-A970 VanDerWaalsContact C-N 3.25Å; T968-A970 PolarHBondContact O-N 2.81Å |
| 969 | G | 25.9 | Very low | 36.8 | Very low | 91 Ų | 91 | 99 Ų | 99 | 94% | 0.938 | 54% | 0.544 | S | S | * | . | trans | 38.7 | -3.6 | 144 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 970 | A | 26.3 | Very low | 34.4 | Very low | 88 Ų | 88 | 101.6 Ų | 101.6 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | trans | -109.2 | 62.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T968 | T968-A970 VanDerWaalsContact C-N 3.25Å; T968-A970 PolarHBondContact O-N 2.81Å | ||
| 971 | R | 22.6 | Very low | 32.1 | Very low | 224 Ų | 224 | 106.9 Ų | 106.9 | 85% | 0.845 | 57% | 0.573 | S | S | * | * | trans | -116.1 | 80.1 | 166.6 | -168.5 | 177.6 | -174.6 | 157.8 | 5 | 109.2 | ||||
| 972 | Q | 23.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 108.2 Ų | 108.2 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | trans | -136.2 | 138.1 | 170 | -71.9 | -172.9 | -32.8 | 0 | 0 | 109.1 | N949 | N949-Q972 PolarHBondContact ND2-OE1 2.86Š| ||
| 973 | E | 23.1 | Very low | 28 | Very low | 97 Ų | 97 | 115.4 Ų | 115.4 | 45% | 0.453 | 61% | 0.613 | S | S | . | * | trans | -115.5 | 172.9 | -152.1 | -59.9 | 174.5 | 145 | 0 | 0 | 114.1 | G946 T947 | G946-E973 VanDerWaalsContact CA-C 3.47Å; T947-E973 WeakPolarHBondContact CA-O 3.38Å; T947-E973 WeakPolarHBondContact CB-O 3.36Å; T947-E973 PolarHBondContact N-O 3.3Å; T947-E973 VanDerWaalsContact O-O 3.12Å; T947-E973 PolarHBondContact OG1-O 3.08Å | ||
| 974 | F | 24.2 | Very low | 26.5 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | trans | 125.4 | 14.9 | 164.7 | 55.2 | -125.5 | 0 | 0 | 0 | 124.8 | N945 T947 K955 | N945-F974 PolarHBondContact O-N 2.87Å; T947-F974 WeakPolarHBondContact OG1-CA 3.46Å; K955-F974 PolarHBondContact NZ-O 3.41Å | ||
| 975 | C | 22.5 | Very low | 25.5 | Very low | 26 Ų | 26 | 117 Ų | 117 | 18% | 0.176 | 62% | 0.622 | C | S | . | * | trans | -78.6 | -166.1 | -170.7 | 72.9 | 0 | 0 | 0 | 0 | 116.4 | I944 G946 T947 F953 K955 | I944-C975 PolarHBondContact O-SG 3.11Å; G946-C975 VanDerWaalsContact N-N 3.14Å; G946-C975 PolarHBondContact N-SG 3.34Å; G946-C975 WeakPolarHBondContact O-CB 3.1Å; T947-C975 VanDerWaalsContact N-N 3.15Å; F953-C975 HydrophobicContact CZ-CB 4.44Å; K955-C975 VanDerWaalsContact CE-O 3.26Å; K955-C975 WeakPolarHBondContact CE-O 3.22Å; K955-C975 HydrophobicContact CG-CB 4.37Å; K955-C975 PolarHBondContact NZ-O 3.02Å | ||
| 976 | G | 21.9 | Very low | 25 | Very low | 25 Ų | 25 | 121.5 Ų | 121.5 | 26% | 0.258 | 65% | 0.646 | S | S | . | * | trans | 154.4 | 170 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | K955 | K955-G976 VanDerWaalsContact CE-N 3.31Å; K955-G976 WeakPolarHBondContact CG-O 3.11Å; K955-G976 VanDerWaalsContact O-O 3.06Å | ||
| 977 | Q | 23.2 | Very low | 25 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | trans | -107.5 | 164.5 | -155.6 | -49.2 | 164.4 | -92.2 | 0 | 0 | 114.8 | D911 | D911-Q977 PolarHBondContact OD1-NE2 3.36Š| ||
| 978 | P | 22.5 | Very low | 25.2 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | -130.9 | 162.4 | 109.1 | 38.3 | -32.1 | 0 | 0 | 0 | 113.4 | |||||
| 979 | F | 25.4 | Very low | 25.4 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | cis | 107 | 54.4 | -1.2 | -151.2 | -107.7 | 0 | 0 | 0 | 119.3 | D911 | D911-F979 VanDerWaalsContact OD1-CD2 3.31Å; D911-F979 WeakPolarHBondContact OD1-CD2 3.34Å | ||
| 980 | F | 24.5 | Very low | 25.7 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 72% | 0.715 | 63% | 0.627 | S | S | * | * | trans | 143.2 | 131.7 | 140.9 | -76.1 | -54.8 | 0 | 0 | 0 | 114.8 | N909 | N909-F980 VanDerWaalsContact CG-C 3.46Å; N909-F980 WeakPolarHBondContact OD1-CA 3.34Å; N909-F980 PolarHBondContact OD1-N 2.8Å; N909-F980 VanDerWaalsContact OD1-N 3.17Å | ||
| 981 | K | 23.7 | Very low | 26.1 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 57% | 0.574 | 64% | 0.637 | S | S | * | * | trans | -154.9 | 168.9 | 174.2 | -121.4 | -155.2 | 179 | 175 | 0 | 108.2 | E908 N909 | E908-K981 HydrophobicContact CG-CB 4.25Å; E908-K981 HydrophobicContact CG-CD 3.99Å; E908-K981 WeakPolarHBondContact OE1-CD 3.34Å; E908-K981 WeakPolarHBondContact OE1-CE 3.34Å; E908-K981 IonicContact OE1-NZ 2.68Å; E908-K981 PolarHBondContact OE1-NZ 3.01Å; N909-K981 WeakPolarHBondContact ND2-CA 3.08Å; N909-K981 WeakPolarHBondContact ND2-CB 3.2Å; N909-K981 PolarHBondContact ND2-N 3.24Å; N909-K981 WeakPolarHBondContact OD1-CB 3Å; N909-K981 PolarHBondContact OD1-N 3.27Å; N909-K981 VanDerWaalsContact OD1-N 3.16Å | ||
| 982 | P | 22.3 | Very low | 26.4 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | trans | -115.2 | 167.8 | -132.7 | 9.8 | 16.5 | 0 | 0 | 0 | 114.3 | ||||
| 983 | I | 26.3 | Very low | 27.2 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 89% | 0.887 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 128.5 | -172.4 | -61.1 | 169.2 | 0 | 0 | 0 | 110.7 | ||
| 984 | F | 25.1 | Very low | 28.1 | Very low | 180 Ų | 180 | 127 Ų | 127 | 79% | 0.789 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 147.4 | 179.6 | -69.6 | -92.7 | 0 | 0 | 0 | 113.1 | ||
| 985 | S | 25.6 | Very low | 28.8 | Very low | 89 Ų | 89 | 125.7 Ų | 125.7 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -95 | 142.6 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 986 | T | 29.4 | Very low | 29.6 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 67% | 0.667 | S | S | * | * | trans | -109.1 | 128.6 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 987 | E | 31.8 | Very low | 30.5 | Very low | 165 Ų | 165 | 131 Ų | 131 | 77% | 0.771 | 67% | 0.666 | S | S | * | * | trans | 71.9 | 105.5 | 144 | -66.5 | 173.9 | 160.6 | 0 | 0 | 120 | ||||
| 988 | D | 32.9 | Very low | 31.7 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | 83.4 | 142.1 | 126.1 | -63.2 | -3.1 | 0 | 0 | 0 | 120.7 | |||||
| 989 | Q | 32.1 | Very low | 33.4 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | 71.2 | 74.4 | -175.2 | -43.8 | -56 | -55.1 | 0 | 0 | 115 | ||||
| 990 | I | 31.1 | Very low | 35 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 70% | 0.697 | 67% | 0.67 | S | S | * | * | -171.4 | 137.4 | 128.4 | -85 | 141.6 | 0 | 0 | 0 | 108.3 | N992 | I990-N992 VanDerWaalsContact C-N 3.3Å; I990-N992 WeakPolarHBondContact CG2-ND2 3.37Å; I990-N992 PolarHBondContact O-N 2.83Å | |||
| 991 | E | 34.7 | Very low | 36.8 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 94% | 0.944 | 66% | 0.663 | S | S | * | * | trans | -71.8 | 70.9 | 178.8 | -62.9 | 178.1 | 128.5 | 0 | 0 | 112.9 | ||||
| 992 | N | 29.8 | Very low | 38.9 | Very low | 45 Ų | 45 | 129.7 Ų | 129.7 | 24% | 0.241 | 66% | 0.663 | C | S | . | * | trans | -82.7 | 131.4 | 176.1 | -69 | -58.6 | 0 | 0 | 0 | 111.5 | I990 I994 G997 E999 | I990-N992 VanDerWaalsContact C-N 3.3Å; I990-N992 WeakPolarHBondContact CG2-ND2 3.37Å; I990-N992 PolarHBondContact O-N 2.83Å; N992-I994 CarbonylContact O-C 3.57Å; N992-I994 PolarHBondContact O-N 2.7Å; N992-G997 WeakPolarHBondContact CB-O 3.37Å; N992-G997 PolarHBondContact ND2-O 3.42Å; N992-E999 PolarHBondContact OD1-N 3.26Å | ||
| 993 | R | 38.8 | Very low | 40.8 | Very low | 232 Ų | 232 | 129 Ų | 129 | 88% | 0.875 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -63.4 | -6.4 | 177.4 | -89.8 | -178 | 170.8 | 177.5 | -2.4 | 115.2 | ||
| 994 | I | 42.5 | Very low | 42.5 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 65% | 0.646 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -114.3 | 121 | 165.9 | -60.7 | 171.1 | 0 | 0 | 0 | 105 | N992 N996 G997 | N992-I994 CarbonylContact O-C 3.57Å; N992-I994 PolarHBondContact O-N 2.7Å; I994-N996 PolarHBondContact O-N 3.37Å; I994-G997 PolarHBondContact O-N 3.09Å |
| 995 | S | 39.9 | Very low | 44.8 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 125.5 | -179.4 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | G997 | S995-G997 PolarHBondContact O-N 2.98Š|
| 996 | N | 37.6 | Very low | 47.1 | Very low | 140 Ų | 140 | 115.2 Ų | 115.2 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.1 | 7.9 | -174.7 | -50.1 | -30.1 | 0 | 0 | 0 | 115.6 | I994 | I994-N996 PolarHBondContact O-N 3.37Š|
| 997 | G | 40.7 | Very low | 49.4 | Very low | 23 Ų | 23 | 114 Ų | 114 | 24% | 0.237 | 56% | 0.564 | C | S | . | * | trans | -71.2 | 158.1 | 162 | 0 | 0 | 0 | 0 | 0 | 110.6 | N992 I994 S995 | N992-G997 WeakPolarHBondContact CB-O 3.37Å; N992-G997 PolarHBondContact ND2-O 3.42Å; I994-G997 PolarHBondContact O-N 3.09Å; S995-G997 PolarHBondContact O-N 2.98Å | ||
| 998 | I | 49.9 | Very low | 51.8 | Low | 151 Ų | 151 | 111.3 Ų | 111.3 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | trans | -112.2 | 137.5 | 169 | -56.9 | 177 | 0 | 0 | 0 | 106.9 | A1000 | I998-A1000 PolarHBondContact O-N 3.17Š| ||
| 999 | E | 57.6 | Low | 54.2 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 116.7 | 172.5 | -174.1 | 178.7 | -153.9 | 0 | 0 | 111 | N992 R1001 H1053 | N992-E999 PolarHBondContact OD1-N 3.26Å; E999-R1001 PolarHBondContact O-N 3.1Å; E999-H1053 IonicContact OE1-CE1 3.65Å; E999-H1053 IonicContact OE1-NE2 2.7Å |
| 1000 | A | 58.1 | Low | 56.7 | Low | 34 Ų | 34 | 98.4 Ų | 98.4 | 28% | 0.281 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 123.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | I998 I1002 H1053 | I998-A1000 PolarHBondContact O-N 3.17Å; A1000-I1002 PolarHBondContact O-N 2.76Å; A1000-H1053 PolarHBondContact O-CE1 2.84Å; A1000-H1053 PolarHBondContact O-ND1 2.82Å |
| 1001 | R | 62.4 | Low | 59.2 | Low | 152 Ų | 152 | 92.6 Ų | 92.6 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 142.8 | 178.3 | -65.7 | 179.5 | 175.6 | -166.1 | -5.7 | 110.6 | E999 H1003 S1004 | E999-R1001 PolarHBondContact O-N 3.1Å; R1001-H1003 PolarHBondContact O-N 2.75Å; R1001-H1003 VanDerWaalsContact O-N 3.14Å; R1001-S1004 PolarHBondContact N-OG 2.03Å; R1001-S1004 WeakPolarHBondContact O-CB 3.47Å; R1001-S1004 PolarHBondContact O-N 3.46Å; R1001-S1004 PolarHBondContact O-OG 3.28Å |
| 1002 | I | 68.4 | Low | 61.4 | Low | 111 Ų | 111 | 84.5 Ų | 84.5 | 57% | 0.569 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | 121.4 | 177.8 | -34.2 | -171.2 | 0 | 0 | 0 | 110.7 | A1000 S1004 H1053 | A1000-I1002 PolarHBondContact O-N 2.76Å; I1002-S1004 VanDerWaalsContact C-N 3.27Å; I1002-S1004 PolarHBondContact O-N 2.86Å; I1002-H1053 HydrophobicContact CG2-CB 4.14Å |
| 1003 | H | 62.2 | Low | 63.8 | Low | 75 Ų | 75 | 83.6 Ų | 83.6 | 35% | 0.347 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 16.5 | -179.9 | -44.7 | -47.3 | 0 | 0 | 0 | 117 | R1001 H1005 A1098 | R1001-H1003 PolarHBondContact O-N 2.75Å; R1001-H1003 VanDerWaalsContact O-N 3.14Å; H1003-H1005 VanDerWaalsContact C-N 3.31Å; H1003-H1005 PolarHBondContact O-N 3.25Å; H1003-A1098 HydrophobicContact CB-CB 4.49Å; H1003-A1098 VanDerWaalsContact CE1-CB 3.5Å; H1003-A1098 WeakPolarHBondContact CE1-CB 3.22Å; H1003-A1098 VanDerWaalsContact ND1-CB 3.27Å; H1003-A1098 WeakPolarHBondContact ND1-CB 3.41Å |
| 1004 | S | 62.5 | Low | 65.5 | Low | 53 Ų | 53 | 75.4 Ų | 75.4 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -68.5 | -25.9 | 176.5 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | R1001 I1002 P1006 | R1001-S1004 PolarHBondContact N-OG 2.03Å; R1001-S1004 WeakPolarHBondContact O-CB 3.47Å; R1001-S1004 PolarHBondContact O-N 3.46Å; R1001-S1004 PolarHBondContact O-OG 3.28Å; I1002-S1004 VanDerWaalsContact C-N 3.27Å; I1002-S1004 PolarHBondContact O-N 2.86Å; S1004-P1006 VanDerWaalsContact C-CD 3.49Å; S1004-P1006 WeakPolarHBondContact O-CD 3.48Å |
| 1005 | H | 72.2 | Confident | 66.3 | Low | 88 Ų | 88 | 73.9 Ų | 73.9 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -122.7 | 71.5 | 178.6 | -63.7 | 76.9 | 0 | 0 | 0 | 109.1 | H1003 W1007 Q1008 | H1003-H1005 VanDerWaalsContact C-N 3.31Å; H1003-H1005 PolarHBondContact O-N 3.25Å; H1005-W1007 HydrophobicContact CB-CZ2 4.41Å; H1005-W1007 AromaticContact CD2-CZ2 3.76Å; H1005-W1007 PolarHBondContact O-N 2.91Å; H1005-W1007 VanDerWaalsContact O-N 3.08Å; H1005-Q1008 HydrophobicContact CB-CB 4.3Å; H1005-Q1008 WeakPolarHBondContact O-CB 3.29Å; H1005-Q1008 PolarHBondContact O-N 2.81Å |
| 1006 | P | 74.2 | Confident | 67.3 | Low | 12 Ų | 12 | 74.7 Ų | 74.7 | 8% | 0.078 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -7.7 | -169.6 | 28.8 | -36.8 | 0 | 0 | 0 | 114.6 | S1004 I1099 Q1100 | S1004-P1006 VanDerWaalsContact C-CD 3.49Å; S1004-P1006 WeakPolarHBondContact O-CD 3.48Å; P1006-I1099 CarbonylContact O-C 3.58Å; P1006-I1099 VanDerWaalsContact O-CA 3.31Å; P1006-I1099 WeakPolarHBondContact O-CA 3.37Å; P1006-Q1100 HydrophobicContact CB-CB 4.03Å; P1006-Q1100 HydrophobicContact CB-CG 3.99Å; P1006-Q1100 HydrophobicContact CG-CB 3.98Å; P1006-Q1100 HydrophobicContact CG-CG 4.05Å; P1006-Q1100 PolarHBondContact O-N 3.28Å |
| 1007 | W | 79 | Confident | 68.4 | Low | 98 Ų | 98 | 71.9 Ų | 71.9 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -9.1 | 169.1 | 55.3 | 86.2 | 0 | 0 | 0 | 113.7 | H1005 A1009 S1025 L1026 Q1100 V1102 | H1005-W1007 HydrophobicContact CB-CZ2 4.41Å; H1005-W1007 AromaticContact CD2-CZ2 3.76Å; H1005-W1007 PolarHBondContact O-N 2.91Å; H1005-W1007 VanDerWaalsContact O-N 3.08Å; W1007-A1009 PolarHBondContact O-N 2.69Å; W1007-S1025 CarbonylContact O-C 3.59Å; W1007-S1025 WeakPolarHBondContact O-CA 3.35Å; W1007-L1026 PolarHBondContact O-N 2.8Å; W1007-Q1100 WeakPolarHBondContact CA-O 3.03Å; W1007-Q1100 VanDerWaalsContact CB-O 3.27Å; W1007-Q1100 WeakPolarHBondContact CB-O 3.39Å; W1007-Q1100 PolarHBondContact N-O 3.47Å; W1007-V1102 HydrophobicContact CB-CB 4.44Å; W1007-V1102 HydrophobicContact CG-CB 4.48Å |
| 1008 | Q | 81 | Confident | 68.9 | Low | 110 Ų | 110 | 74.1 Ų | 74.1 | 51% | 0.514 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127.2 | 179.6 | -172.5 | 175 | -1.4 | 0 | 0 | 110.9 | H1005 | H1005-Q1008 HydrophobicContact CB-CB 4.3Å; H1005-Q1008 WeakPolarHBondContact O-CB 3.29Å; H1005-Q1008 PolarHBondContact O-N 2.81Å |
| 1009 | A | 82.9 | Confident | 69.6 | Low | 6 Ų | 6 | 71.4 Ų | 71.4 | 5% | 0.05 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 147.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | W1007 G1024 V1048 Y1049 L1050 | W1007-A1009 PolarHBondContact O-N 2.69Å; A1009-G1024 PolarHBondContact N-O 2.81Å; A1009-G1024 PolarHBondContact O-N 3.18Å; A1009-V1048 HydrophobicContact CB-CG1 4Å; A1009-Y1049 WeakPolarHBondContact CA-O 3.3Å; A1009-L1050 HydrophobicContact CB-CD2 3.54Å |
| 1010 | L | 85.1 | Confident | 70.2 | Confident | 31 Ų | 31 | 68.4 Ų | 68.4 | 16% | 0.162 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.3 | 164 | 172.8 | 75.9 | 0 | 0 | 0 | 107.8 | I1012 V1048 Y1049 L1052 L1055 | L1010-I1012 HydrophobicContact CD2-CD1 3.95Å; L1010-I1012 HydrophobicContact CD2-CG1 4.08Å; L1010-I1012 HydrophobicContact CG-CD1 4.47Å; L1010-I1012 HydrophobicContact CG-CG1 4.05Å; L1010-V1048 CarbonylContact O-C 3.58Å; L1010-V1048 WeakPolarHBondContact O-CA 3.39Å; L1010-Y1049 HydrophobicContact CD2-CD2 4.49Å; L1010-Y1049 PolarHBondContact N-O 2.98Å; L1010-Y1049 PolarHBondContact O-N 2.86Å; L1010-L1052 HydrophobicContact CB-CD2 4.47Å; L1010-L1052 HydrophobicContact CD2-CD2 3.67Å; L1010-L1055 HydrophobicContact CD1-CD2 4.46Å; L1010-L1055 HydrophobicContact CD2-CD2 3.48Å; L1010-L1055 VanDerWaalsContact CD2-CD2 3.48Å |
| 1011 | V | 83.5 | Confident | 70.7 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.8 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | S1021 C1022 V1046 I1047 V1048 L1087 | V1011-S1021 CarbonylContact O-C 3.52Å; V1011-S1021 WeakPolarHBondContact O-CA 3.09Å; V1011-C1022 HydrophobicContact CB-CB 4.26Å; V1011-C1022 PolarHBondContact N-O 3.09Å; V1011-C1022 PolarHBondContact O-N 3.33Å; V1011-V1046 HydrophobicContact CG1-CG1 3.55Å; V1011-I1047 WeakPolarHBondContact CA-O 3.2Å; V1011-V1048 HydrophobicContact CG2-CG2 4.36Å; V1011-L1087 HydrophobicContact CG1-CD1 3.82Å; V1011-L1087 HydrophobicContact CG2-CD1 3.87Å |
| 1012 | I | 81.9 | Confident | 71.1 | Confident | 32 Ų | 32 | 66 Ų | 66 | 16% | 0.164 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.3 | 175.9 | -55.7 | -174.9 | 0 | 0 | 0 | 108.1 | L1010 V1019 V1020 V1046 I1047 Y1049 | L1010-I1012 HydrophobicContact CD2-CD1 3.95Å; L1010-I1012 HydrophobicContact CD2-CG1 4.08Å; L1010-I1012 HydrophobicContact CG-CD1 4.47Å; L1010-I1012 HydrophobicContact CG-CG1 4.05Å; I1012-V1019 HydrophobicContact CG2-CG1 3.52Å; I1012-V1020 WeakPolarHBondContact CA-O 3.07Å; I1012-V1046 WeakPolarHBondContact O-CA 3.4Å; I1012-I1047 PolarHBondContact N-O 2.99Å; I1012-I1047 PolarHBondContact O-N 2.97Å; I1012-Y1049 HydrophobicContact CD1-CD2 4.11Å; I1012-Y1049 HydrophobicContact CD1-CE2 3.8Å; I1012-Y1049 HydrophobicContact CG1-CD2 4.46Å; I1012-Y1049 HydrophobicContact CG1-CE2 4.44Å |
| 1013 | V | 79.5 | Confident | 71.6 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.3 | 173.5 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | V1019 V1020 V1041 D1045 V1046 | V1013-V1019 WeakPolarHBondContact O-CA 3.05Å; V1013-V1020 HydrophobicContact CB-CB 4.47Å; V1013-V1020 PolarHBondContact N-O 2.98Å; V1013-V1020 PolarHBondContact O-N 3.11Å; V1013-V1041 HydrophobicContact CG1-CG1 4.4Å; V1013-V1041 HydrophobicContact CG1-CG2 4.18Å; V1013-D1045 WeakPolarHBondContact CA-O 3.43Å; V1013-V1046 HydrophobicContact CG1-CG2 4.3Å; V1013-V1046 HydrophobicContact CG2-CG1 4.39Å; V1013-V1046 HydrophobicContact CG2-CG2 4.1Å |
| 1014 | S | 73.9 | Confident | 72.3 | Confident | 60 Ų | 60 | 61.9 Ų | 61.9 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 80.5 | -176 | 173.6 | 0 | 0 | 0 | 0 | 111 | S1018 D1045 | S1014-S1018 CarbonylContact C-O 3.57Å; S1014-S1018 WeakPolarHBondContact CA-O 3.41Å; S1014-D1045 PolarHBondContact N-O 2.9Å |
| 1015 | E | 60.8 | Low | 73.2 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 44% | 0.444 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.7 | -175.4 | -169.8 | -179 | -150.1 | 0 | 0 | 111.4 | G1017 S1018 | E1015-G1017 PolarHBondContact O-N 2.91Å; E1015-S1018 PolarHBondContact N-O 2.83Å; E1015-S1018 PolarHBondContact O-N 3.16Å |
| 1016 | S | 59.7 | Low | 73.5 | Confident | 124 Ų | 124 | 59.2 Ų | 59.2 | 87% | 0.867 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.6 | 170 | 66.4 | 0 | 0 | 0 | 0 | 117 | ||
| 1017 | G | 60.4 | Low | 73.4 | Confident | 80 Ų | 80 | 61.3 Ų | 61.3 | 83% | 0.825 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -3.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1015 | E1015-G1017 PolarHBondContact O-N 2.91Š|
| 1018 | S | 52.2 | Low | 72.8 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.2 | 167.7 | -170 | 0 | 0 | 0 | 0 | 110.1 | S1014 E1015 | S1014-S1018 CarbonylContact C-O 3.57Å; S1014-S1018 WeakPolarHBondContact CA-O 3.41Å; E1015-S1018 PolarHBondContact N-O 2.83Å; E1015-S1018 PolarHBondContact O-N 3.16Å |
| 1019 | V | 64.8 | Low | 71.9 | Confident | 94 Ų | 94 | 61.4 Ų | 61.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 109.8 | 177.1 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | I1012 V1013 | I1012-V1019 HydrophobicContact CG2-CG1 3.52Å; V1013-V1019 WeakPolarHBondContact O-CA 3.05Å |
| 1020 | V | 69.8 | Low | 70.4 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.7 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | I1012 V1013 | I1012-V1020 WeakPolarHBondContact CA-O 3.07Å; V1013-V1020 HydrophobicContact CB-CB 4.47Å; V1013-V1020 PolarHBondContact N-O 2.98Å; V1013-V1020 PolarHBondContact O-N 3.11Å |
| 1021 | S | 67.7 | Low | 68.6 | Low | 74 Ų | 74 | 73.2 Ų | 73.2 | 52% | 0.517 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.5 | 176.8 | -68 | 0 | 0 | 0 | 0 | 110.6 | V1011 | V1011-S1021 CarbonylContact O-C 3.52Å; V1011-S1021 WeakPolarHBondContact O-CA 3.09Å |
| 1022 | C | 72.4 | Confident | 66.6 | Low | 61 Ų | 61 | 76.4 Ų | 76.4 | 41% | 0.412 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154.1 | 179.1 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | V1011 | V1011-C1022 HydrophobicContact CB-CB 4.26Å; V1011-C1022 PolarHBondContact N-O 3.09Å; V1011-C1022 PolarHBondContact O-N 3.33Å |
| 1023 | G | 77.1 | Confident | 64.7 | Low | 76 Ų | 76 | 81.3 Ų | 81.3 | 78% | 0.784 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 146.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1024 | G | 78.2 | Confident | 63 | Low | 23 Ų | 23 | 84.5 Ų | 84.5 | 24% | 0.237 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 169 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1009 | A1009-G1024 PolarHBondContact N-O 2.81Å; A1009-G1024 PolarHBondContact O-N 3.18Å |
| 1025 | S | 80 | Confident | 61.4 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.9 | 169.9 | -71.4 | 0 | 0 | 0 | 0 | 110.2 | W1007 I1027 | W1007-S1025 CarbonylContact O-C 3.59Å; W1007-S1025 WeakPolarHBondContact O-CA 3.35Å; S1025-I1027 WeakPolarHBondContact O-CG1 3.32Å; S1025-I1027 PolarHBondContact O-N 3.04Å |
| 1026 | L | 80.5 | Confident | 60.6 | Low | 16 Ų | 16 | 95.3 Ų | 95.3 | 8% | 0.084 | 58% | 0.581 | C | S | . | * | trans | -72.5 | 119.4 | 174.2 | -176.5 | 62.4 | 0 | 0 | 0 | 109.3 | W1007 L1050 L1089 V1093 Y1095 I1099 G1101 V1102 | W1007-L1026 PolarHBondContact O-N 2.8Å; L1026-L1050 HydrophobicContact CB-CD2 4.15Å; L1026-L1050 HydrophobicContact CD1-CD1 4.06Å; L1026-L1050 HydrophobicContact CD1-CD2 4.41Å; L1026-L1050 HydrophobicContact CD2-CD1 3.92Å; L1026-L1050 HydrophobicContact CD2-CD2 4.27Å; L1026-L1089 HydrophobicContact CD1-CD1 3.91Å; L1026-V1093 HydrophobicContact CD1-CG2 4.5Å; L1026-V1093 HydrophobicContact CD2-CG1 4.4Å; L1026-Y1095 HydrophobicContact CD2-CD1 4.29Å; L1026-Y1095 HydrophobicContact CD2-CE1 3.74Å; L1026-Y1095 HydrophobicContact CG-CE1 4.42Å; L1026-I1099 HydrophobicContact CD2-CG2 3.64Å; L1026-G1101 CarbonylContact O-C 3.6Å; L1026-G1101 VanDerWaalsContact O-CA 3.24Å; L1026-G1101 WeakPolarHBondContact O-CA 3.49Å; L1026-V1102 PolarHBondContact O-N 2.85Å | ||
| 1027 | I | 70.7 | Confident | 60 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 28% | 0.282 | 55% | 0.55 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | 136.1 | -176.6 | -51.1 | -177.1 | 0 | 0 | 0 | 110.1 | S1025 W1029 L1086 V1102 L1104 | S1025-I1027 WeakPolarHBondContact O-CG1 3.32Å; S1025-I1027 PolarHBondContact O-N 3.04Å; I1027-W1029 PolarHBondContact O-N 3.19Å; I1027-L1086 HydrophobicContact CD1-CD2 4.31Å; I1027-V1102 CarbonylContact C-O 3.57Å; I1027-V1102 WeakPolarHBondContact CA-O 3.2Å; I1027-V1102 HydrophobicContact CG1-CG1 4.19Å; I1027-L1104 HydrophobicContact CD1-CD1 3.92Å; I1027-L1104 HydrophobicContact CD1-CD2 4.5Å; I1027-L1104 HydrophobicContact CD1-CG 4.2Å; I1027-L1104 HydrophobicContact CG2-CD1 3.87Å; I1027-L1104 HydrophobicContact CG2-CG 3.75Å |
| 1028 | N | 66.9 | Low | 59.7 | Low | 65 Ų | 65 | 92.9 Ų | 92.9 | 35% | 0.348 | 55% | 0.548 | S | S | . | . | trans | -87 | 88.2 | 169.7 | -170.6 | -5.6 | 0 | 0 | 0 | 109.5 | V1102 | N1028-V1102 PolarHBondContact N-O 3.25Š| ||
| 1029 | W | 61.4 | Low | 59.7 | Low | 145 Ų | 145 | 92.8 Ų | 92.8 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | trans | -98.9 | 122 | -173.6 | -174.4 | -105.1 | 0 | 0 | 0 | 111.6 | I1027 N1031 L1104 | I1027-W1029 PolarHBondContact O-N 3.19Å; W1029-N1031 PolarHBondContact NE1-O 3.31Å; W1029-L1104 HydrophobicContact CE3-CD1 3.73Å; W1029-L1104 HydrophobicContact CZ3-CB 4.3Å; W1029-L1104 HydrophobicContact CZ3-CD1 3.53Å | ||
| 1030 | K | 51.7 | Low | 59.3 | Low | 185 Ų | 185 | 95.4 Ų | 95.4 | 80% | 0.804 | 56% | 0.556 | S | S | * | * | trans | -110.2 | -9.1 | -174.7 | -105.7 | -171.4 | 176.9 | -175.9 | 0 | 116.5 | ||||
| 1031 | N | 46.7 | Very low | 59.2 | Low | 101 Ų | 101 | 93.7 Ų | 93.7 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | trans | -106.8 | 100.8 | -178.9 | -76.2 | -6.9 | 0 | 0 | 0 | 110.7 | W1029 N1033 | W1029-N1031 PolarHBondContact NE1-O 3.31Å; N1031-N1033 PolarHBondContact O-N 3.04Å | ||
| 1032 | G | 42.1 | Very low | 59.6 | Low | 79 Ų | 79 | 93.1 Ų | 93.1 | 81% | 0.814 | 54% | 0.542 | S | S | * | . | trans | -67.4 | 27 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | A1034 | G1032-A1034 PolarHBondContact O-N 3.36Š| ||
| 1033 | N | 43.3 | Very low | 59.6 | Low | 135 Ų | 135 | 91.2 Ų | 91.2 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | trans | -71.3 | 115.3 | 174.4 | -66.1 | -0.5 | 0 | 0 | 0 | 108.8 | N1031 Y1035 | N1031-N1033 PolarHBondContact O-N 3.04Å; N1033-Y1035 PolarHBondContact O-N 3.33Å | ||
| 1034 | A | 41.9 | Very low | 59.8 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 77% | 0.769 | 52% | 0.523 | S | S | * | . | trans | -72 | 124.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G1032 | G1032-A1034 PolarHBondContact O-N 3.36Š| ||
| 1035 | Y | 41.8 | Very low | 59.9 | Low | 189 Ų | 189 | 93.2 Ų | 93.2 | 74% | 0.741 | 53% | 0.525 | S | S | * | . | trans | -88.1 | 115.2 | 168 | -123 | -91.6 | 0 | 0 | 0 | 108.2 | N1033 G1037 | N1033-Y1035 PolarHBondContact O-N 3.33Å; Y1035-G1037 VanDerWaalsContact C-N 3.28Å; Y1035-G1037 PolarHBondContact O-N 3.32Å | ||
| 1036 | E | 43.3 | Very low | 60.1 | Low | 194 Ų | 194 | 90 Ų | 90 | 91% | 0.907 | 50% | 0.502 | S | S | * | . | trans | -83 | 69.4 | 178.7 | -68 | -173.7 | 146.2 | 0 | 0 | 110.9 | ||||
| 1037 | G | 47.8 | Very low | 60.3 | Low | 21 Ų | 21 | 90.8 Ų | 90.8 | 22% | 0.216 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 142.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1035 P1039 | Y1035-G1037 VanDerWaalsContact C-N 3.28Å; Y1035-G1037 PolarHBondContact O-N 3.32Å; G1037-P1039 WeakPolarHBondContact O-CD 3.37Å |
| 1038 | V | 53.1 | Low | 61.2 | Low | 132 Ų | 132 | 88.5 Ų | 88.5 | 80% | 0.8 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -76 | 119.1 | 174.8 | -177 | 0 | 0 | 0 | 0 | 109 | ||
| 1039 | P | 51.9 | Low | 62.2 | Low | 67 Ų | 67 | 87.6 Ų | 87.6 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 134.6 | -179.3 | 31.2 | -34.9 | 0 | 0 | 0 | 111 | G1037 M1070 | G1037-P1039 WeakPolarHBondContact O-CD 3.37Å; P1039-M1070 HydrophobicContact CB-CB 4.33Å; P1039-M1070 HydrophobicContact CB-CE 4.18Å |
| 1040 | L | 57.1 | Low | 63.3 | Low | 149 Ų | 149 | 80.8 Ų | 80.8 | 78% | 0.78 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -74.1 | -24 | 179.3 | -73.8 | 165.1 | 0 | 0 | 0 | 113.7 | ||
| 1041 | V | 67.6 | Low | 64.5 | Low | 37 Ų | 37 | 72.1 Ų | 72.1 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -133.9 | 159.7 | 178 | -70.4 | 0 | 0 | 0 | 0 | 109.6 | V1013 V1046 M1070 | V1013-V1041 HydrophobicContact CG1-CG1 4.4Å; V1013-V1041 HydrophobicContact CG1-CG2 4.18Å; V1041-V1046 HydrophobicContact CG2-CG2 4.07Å; V1041-M1070 HydrophobicContact CG2-CE 3.91Å; V1041-M1070 WeakPolarHBondContact O-CE 3.37Å |
| 1042 | S | 76.5 | Confident | 66.1 | Low | 62 Ų | 62 | 68.9 Ų | 68.9 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | trans | -69.5 | 140.1 | 177 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | S1044 D1045 | S1042-S1044 WeakPolarHBondContact CB-OG 3.49Å; S1042-S1044 PolarHBondContact O-N 3.22Å; S1042-S1044 PolarHBondContact OG-N 2.83Å; S1042-S1044 PolarHBondContact OG-OG 2.9Å; S1042-D1045 WeakPolarHBondContact CB-OD2 3.26Å; S1042-D1045 WeakPolarHBondContact O-CB 3.42Å; S1042-D1045 PolarHBondContact O-N 3.11Å | ||
| 1043 | A | 72.5 | Confident | 67.5 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -62.1 | -25.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1045 V1046 V1067 M1070 | A1043-D1045 PolarHBondContact O-N 2.03Å; A1043-V1046 PolarHBondContact O-N 2.89Å; A1043-V1067 HydrophobicContact CB-CG1 4.34Å; A1043-V1067 WeakPolarHBondContact CB-O 3.27Å; A1043-M1070 HydrophobicContact CB-CE 4.06Å; A1043-M1070 HydrophobicContact CB-CG 4.2Å; A1043-M1070 HydrophobicContact CB-SD 4.45Å |
| 1044 | S | 80.7 | Confident | 68.8 | Low | 90 Ų | 90 | 65 Ų | 65 | 63% | 0.629 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -60.2 | -24.6 | 172.2 | 54.7 | 0 | 0 | 0 | 0 | 114 | S1042 V1046 | S1042-S1044 WeakPolarHBondContact CB-OG 3.49Å; S1042-S1044 PolarHBondContact O-N 3.22Å; S1042-S1044 PolarHBondContact OG-N 2.83Å; S1042-S1044 PolarHBondContact OG-OG 2.9Å; S1044-V1046 VanDerWaalsContact C-N 3.32Å |
| 1045 | D | 81.5 | Confident | 69.9 | Low | 52 Ų | 52 | 65.4 Ų | 65.4 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -96.1 | 2.5 | -170.1 | -50.7 | -13.5 | 0 | 0 | 0 | 110.8 | V1013 S1014 S1042 A1043 | V1013-D1045 WeakPolarHBondContact CA-O 3.43Å; S1014-D1045 PolarHBondContact N-O 2.9Å; S1042-D1045 WeakPolarHBondContact CB-OD2 3.26Å; S1042-D1045 WeakPolarHBondContact O-CB 3.42Å; S1042-D1045 PolarHBondContact O-N 3.11Å; A1043-D1045 PolarHBondContact O-N 2.03Å |
| 1046 | V | 82.4 | Confident | 71.2 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.7 | -174.8 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | V1011 I1012 V1013 V1041 A1043 S1044 V1067 M1070 L1087 | V1011-V1046 HydrophobicContact CG1-CG1 3.55Å; I1012-V1046 WeakPolarHBondContact O-CA 3.4Å; V1013-V1046 HydrophobicContact CG1-CG2 4.3Å; V1013-V1046 HydrophobicContact CG2-CG1 4.39Å; V1013-V1046 HydrophobicContact CG2-CG2 4.1Å; V1041-V1046 HydrophobicContact CG2-CG2 4.07Å; A1043-V1046 PolarHBondContact O-N 2.89Å; S1044-V1046 VanDerWaalsContact C-N 3.32Å; V1046-V1067 HydrophobicContact CB-CB 4.35Å; V1046-V1067 HydrophobicContact CB-CG2 4.14Å; V1046-V1067 HydrophobicContact CG1-CG2 3.88Å; V1046-M1070 HydrophobicContact CB-SD 4.05Å; V1046-M1070 HydrophobicContact CG1-SD 4.34Å; V1046-M1070 HydrophobicContact CG2-CE 4.01Å; V1046-M1070 HydrophobicContact CG2-SD 3.61Å; V1046-L1087 HydrophobicContact CG1-CD1 4.34Å |
| 1047 | I | 85.8 | Confident | 72.1 | Confident | 32 Ų | 32 | 59.5 Ų | 59.5 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135 | -178.2 | -58.2 | 165.8 | 0 | 0 | 0 | 109.1 | V1011 I1012 Y1049 R1064 | V1011-I1047 WeakPolarHBondContact CA-O 3.2Å; I1012-I1047 PolarHBondContact N-O 2.99Å; I1012-I1047 PolarHBondContact O-N 2.97Å; I1047-Y1049 HydrophobicContact CB-CE2 4.41Å; I1047-Y1049 HydrophobicContact CG2-CD2 4.02Å; I1047-Y1049 HydrophobicContact CG2-CE2 3.48Å; I1047-Y1049 VanDerWaalsContact CG2-CE2 3.48Å; I1047-R1064 VanDerWaalsContact CD1-NH2 3.33Å; I1047-R1064 HydrophobicContact CG2-CG 3.51Å |
| 1048 | V | 88.3 | Confident | 72.9 | Confident | 6 Ų | 6 | 64.7 Ų | 64.7 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.5 | 177.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | A1009 L1010 V1011 L1050 R1064 L1065 V1067 L1087 L1089 | A1009-V1048 HydrophobicContact CB-CG1 4Å; L1010-V1048 CarbonylContact O-C 3.58Å; L1010-V1048 WeakPolarHBondContact O-CA 3.39Å; V1011-V1048 HydrophobicContact CG2-CG2 4.36Å; V1048-L1050 HydrophobicContact CG1-CD2 4.18Å; V1048-L1050 HydrophobicContact CG1-CG 4.32Å; V1048-R1064 CarbonylContact O-C 3.58Å; V1048-R1064 WeakPolarHBondContact O-CA 3.45Å; V1048-L1065 PolarHBondContact N-O 3.1Å; V1048-L1065 PolarHBondContact O-N 3.48Å; V1048-V1067 HydrophobicContact CG2-CG2 3.73Å; V1048-L1087 HydrophobicContact CG2-CD1 4.04Å; V1048-L1089 HydrophobicContact CB-CD2 3.85Å; V1048-L1089 HydrophobicContact CG1-CD2 4.17Å; V1048-L1089 HydrophobicContact CG2-CD2 3.79Å |
| 1049 | Y | 88.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 127.7 | 171.7 | -69.2 | -101.7 | 0 | 0 | 0 | 110.4 | A1009 L1010 I1012 I1047 L1058 T1062 K1063 R1064 | A1009-Y1049 WeakPolarHBondContact CA-O 3.3Å; L1010-Y1049 HydrophobicContact CD2-CD2 4.49Å; L1010-Y1049 PolarHBondContact N-O 2.98Å; L1010-Y1049 PolarHBondContact O-N 2.86Å; I1012-Y1049 HydrophobicContact CD1-CD2 4.11Å; I1012-Y1049 HydrophobicContact CD1-CE2 3.8Å; I1012-Y1049 HydrophobicContact CG1-CD2 4.46Å; I1012-Y1049 HydrophobicContact CG1-CE2 4.44Å; I1047-Y1049 HydrophobicContact CB-CE2 4.41Å; I1047-Y1049 HydrophobicContact CG2-CD2 4.02Å; I1047-Y1049 HydrophobicContact CG2-CE2 3.48Å; I1047-Y1049 VanDerWaalsContact CG2-CE2 3.48Å; Y1049-L1058 HydrophobicContact CD1-CD2 4.23Å; Y1049-L1058 HydrophobicContact CE1-CD2 4.12Å; Y1049-T1062 HydrophobicContact CD1-CG2 4.19Å; Y1049-K1063 CarbonylContact C-O 3.38Å; Y1049-K1063 WeakPolarHBondContact CA-O 3.37Å; Y1049-R1064 HydrophobicContact CD1-CB 4.1Å; Y1049-R1064 HydrophobicContact CD1-CG 4.5Å; Y1049-R1064 HydrophobicContact CE1-CB 3.82Å; Y1049-R1064 HydrophobicContact CE1-CG 3.98Å; Y1049-R1064 HydrophobicContact CE2-CG 4.24Å |
| 1050 | L | 85.4 | Confident | 74.8 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.1 | 177.6 | -61.4 | 175.4 | 0 | 0 | 0 | 110.6 | A1009 L1026 V1048 L1052 T1062 K1063 L1065 L1089 V1093 I1099 | A1009-L1050 HydrophobicContact CB-CD2 3.54Å; L1026-L1050 HydrophobicContact CB-CD2 4.15Å; L1026-L1050 HydrophobicContact CD1-CD1 4.06Å; L1026-L1050 HydrophobicContact CD1-CD2 4.41Å; L1026-L1050 HydrophobicContact CD2-CD1 3.92Å; L1026-L1050 HydrophobicContact CD2-CD2 4.27Å; V1048-L1050 HydrophobicContact CG1-CD2 4.18Å; V1048-L1050 HydrophobicContact CG1-CG 4.32Å; L1050-L1052 PolarHBondContact O-N 3.05Å; L1050-T1062 CarbonylContact O-C 3.48Å; L1050-T1062 VanDerWaalsContact O-CA 3.32Å; L1050-T1062 WeakPolarHBondContact O-CA 3.41Å; L1050-K1063 PolarHBondContact N-O 3.49Å; L1050-K1063 PolarHBondContact O-N 2.83Å; L1050-L1065 HydrophobicContact CD1-CD1 3.66Å; L1050-L1065 HydrophobicContact CG-CD1 4.48Å; L1050-L1089 HydrophobicContact CD1-CD1 4.42Å; L1050-V1093 HydrophobicContact CD1-CB 4.44Å; L1050-V1093 HydrophobicContact CD1-CG1 3.78Å; L1050-V1093 HydrophobicContact CD1-CG2 3.88Å; L1050-I1099 HydrophobicContact CB-CD1 3.81Å; L1050-I1099 HydrophobicContact CB-CG1 4.07Å; L1050-I1099 HydrophobicContact CB-CG2 4.06Å; L1050-I1099 HydrophobicContact CD1-CG2 4.07Å |
| 1051 | G | 77.6 | Confident | 75.7 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 72.1 | 9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A1098 | G1051-A1098 WeakPolarHBondContact CA-O 3.45Š|
| 1052 | L | 78.7 | Confident | 76.3 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 17% | 0.173 | 33% | 0.333 | C | S | . | . | trans | -74.5 | 137.4 | 170.8 | -167.8 | 80 | 0 | 0 | 0 | 109.8 | L1010 L1050 D1054 L1055 L1058 T1062 | L1010-L1052 HydrophobicContact CB-CD2 4.47Å; L1010-L1052 HydrophobicContact CD2-CD2 3.67Å; L1050-L1052 PolarHBondContact O-N 3.05Å; L1052-D1054 WeakPolarHBondContact CD1-O 3.5Å; L1052-L1055 HydrophobicContact CD2-CD2 3.93Å; L1052-L1055 HydrophobicContact CD2-CG 4.38Å; L1052-L1058 HydrophobicContact CD1-CD2 3.84Å; L1052-T1062 HydrophobicContact CB-CG2 4.04Å; L1052-T1062 HydrophobicContact CD1-CG2 3.84Å | ||
| 1053 | H | 72 | Confident | 76.6 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | trans | -122.4 | -42.9 | 173.2 | 172.4 | 52.6 | 0 | 0 | 0 | 111.2 | E999 A1000 I1002 | E999-H1053 IonicContact OE1-CE1 3.65Å; E999-H1053 IonicContact OE1-NE2 2.7Å; A1000-H1053 PolarHBondContact O-CE1 2.84Å; A1000-H1053 PolarHBondContact O-ND1 2.82Å; I1002-H1053 HydrophobicContact CG2-CB 4.14Å | ||
| 1054 | D | 69.8 | Low | 77.4 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 31% | 0.31 | 34% | 0.344 | S | S | . | . | trans | -108.8 | 125.5 | 173.7 | 179.7 | -2.8 | 0 | 0 | 0 | 109.7 | L1052 T1056 Q1057 | L1052-D1054 WeakPolarHBondContact CD1-O 3.5Å; D1054-T1056 VanDerWaalsContact CG-OG1 3.23Å; D1054-T1056 PolarHBondContact O-N 3.26Å; D1054-T1056 WeakPolarHBondContact OD1-CA 3.47Å; D1054-T1056 WeakPolarHBondContact OD1-CB 3.32Å; D1054-T1056 PolarHBondContact OD1-N 2.67Å; D1054-T1056 PolarHBondContact OD1-OG1 2.89Å; D1054-T1056 PolarHBondContact OD2-OG1 3.47Å; D1054-Q1057 HydrophobicContact CB-CB 4.32Å; D1054-Q1057 PolarHBondContact O-N 3.39Å | ||
| 1055 | L | 66.5 | Low | 77.7 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 53% | 0.534 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.3 | 176.5 | -78.2 | 157.9 | 0 | 0 | 0 | 113.1 | L1010 L1052 | L1010-L1055 HydrophobicContact CD1-CD2 4.46Å; L1010-L1055 HydrophobicContact CD2-CD2 3.48Å; L1010-L1055 VanDerWaalsContact CD2-CD2 3.48Å; L1052-L1055 HydrophobicContact CD2-CD2 3.93Å; L1052-L1055 HydrophobicContact CD2-CG 4.38Å |
| 1056 | T | 68 | Low | 77.9 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 73% | 0.73 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -16 | -179.3 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | D1054 | D1054-T1056 VanDerWaalsContact CG-OG1 3.23Å; D1054-T1056 PolarHBondContact O-N 3.26Å; D1054-T1056 WeakPolarHBondContact OD1-CA 3.47Å; D1054-T1056 WeakPolarHBondContact OD1-CB 3.32Å; D1054-T1056 PolarHBondContact OD1-N 2.67Å; D1054-T1056 PolarHBondContact OD1-OG1 2.89Å; D1054-T1056 PolarHBondContact OD2-OG1 3.47Å |
| 1057 | Q | 63 | Low | 78 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 65% | 0.654 | 33% | 0.328 | S | S | * | . | trans | -130.7 | 102.5 | -177.6 | -64.2 | -170.7 | 35.1 | 0 | 0 | 112.6 | D1054 S1059 | D1054-Q1057 HydrophobicContact CB-CB 4.32Å; D1054-Q1057 PolarHBondContact O-N 3.39Å; Q1057-S1059 PolarHBondContact O-N 2.9Å | ||
| 1058 | L | 64.5 | Low | 77.8 | Confident | 129 Ų | 129 | 65 Ų | 65 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | trans | -70.7 | 108.5 | 170.7 | -75.3 | 164.8 | 0 | 0 | 0 | 110.5 | Y1049 L1052 T1062 | Y1049-L1058 HydrophobicContact CD1-CD2 4.23Å; Y1049-L1058 HydrophobicContact CE1-CD2 4.12Å; L1052-L1058 HydrophobicContact CD1-CD2 3.84Å; L1058-T1062 HydrophobicContact CD2-CG2 3.79Å | ||
| 1059 | S | 70.2 | Confident | 77.3 | Confident | 49 Ų | 49 | 66.9 Ų | 66.9 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | trans | -77.3 | 161.6 | 176.6 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | Q1057 V1061 T1062 | Q1057-S1059 PolarHBondContact O-N 2.9Å; S1059-V1061 PolarHBondContact O-N 2.75Å; S1059-V1061 WeakPolarHBondContact OG-CG2 3.47Å; S1059-V1061 PolarHBondContact OG-N 3.13Å; S1059-T1062 PolarHBondContact N-OG1 3.44Å; S1059-T1062 WeakPolarHBondContact O-CB 3.14Å; S1059-T1062 PolarHBondContact O-N 2.88Å; S1059-T1062 VanDerWaalsContact O-N 3.08Å; S1059-T1062 PolarHBondContact O-OG1 2.88Å; S1059-T1062 PolarHBondContact OG-N 3.3Å; S1059-T1062 PolarHBondContact OG-OG1 3.25Å | ||
| 1060 | S | 74.9 | Confident | 76.5 | Confident | 123 Ų | 123 | 66 Ų | 66 | 86% | 0.86 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | 175.7 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1061 | V | 75 | Confident | 75.6 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -14 | 173.8 | -66.9 | 0 | 0 | 0 | 0 | 113.1 | S1059 A1098 I1099 | S1059-V1061 PolarHBondContact O-N 2.75Å; S1059-V1061 WeakPolarHBondContact OG-CG2 3.47Å; S1059-V1061 PolarHBondContact OG-N 3.13Å; V1061-A1098 HydrophobicContact CB-CB 4.02Å; V1061-A1098 HydrophobicContact CG2-CB 3.71Å; V1061-I1099 WeakPolarHBondContact O-CD1 3.22Å |
| 1062 | T | 81.6 | Confident | 74.8 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | trans | -66.5 | 134.5 | 180 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | Y1049 L1050 L1052 L1058 S1059 | Y1049-T1062 HydrophobicContact CD1-CG2 4.19Å; L1050-T1062 CarbonylContact O-C 3.48Å; L1050-T1062 VanDerWaalsContact O-CA 3.32Å; L1050-T1062 WeakPolarHBondContact O-CA 3.41Å; L1052-T1062 HydrophobicContact CB-CG2 4.04Å; L1052-T1062 HydrophobicContact CD1-CG2 3.84Å; L1058-T1062 HydrophobicContact CD2-CG2 3.79Å; S1059-T1062 PolarHBondContact N-OG1 3.44Å; S1059-T1062 WeakPolarHBondContact O-CB 3.14Å; S1059-T1062 PolarHBondContact O-N 2.88Å; S1059-T1062 VanDerWaalsContact O-N 3.08Å; S1059-T1062 PolarHBondContact O-OG1 2.88Å; S1059-T1062 PolarHBondContact OG-N 3.3Å; S1059-T1062 PolarHBondContact OG-OG1 3.25Å | ||
| 1063 | K | 82.8 | Confident | 73.7 | Confident | 94 Ų | 94 | 68.4 Ų | 68.4 | 41% | 0.409 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.4 | 175.6 | -63.4 | -61.6 | -178.2 | -172.1 | 0 | 110.8 | Y1049 L1050 I1099 | Y1049-K1063 CarbonylContact C-O 3.38Å; Y1049-K1063 WeakPolarHBondContact CA-O 3.37Å; L1050-K1063 PolarHBondContact N-O 3.49Å; L1050-K1063 PolarHBondContact O-N 2.83Å; K1063-I1099 HydrophobicContact CB-CD1 4.11Å; K1063-I1099 HydrophobicContact CG-CD1 3.67Å |
| 1064 | R | 88.1 | Confident | 73 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.9 | 164 | -176.9 | -172.5 | 173.4 | -83.4 | 1.8 | 108.5 | I1047 V1048 Y1049 E1066 | I1047-R1064 VanDerWaalsContact CD1-NH2 3.33Å; I1047-R1064 HydrophobicContact CG2-CG 3.51Å; V1048-R1064 CarbonylContact O-C 3.58Å; V1048-R1064 WeakPolarHBondContact O-CA 3.45Å; Y1049-R1064 HydrophobicContact CD1-CB 4.1Å; Y1049-R1064 HydrophobicContact CD1-CG 4.5Å; Y1049-R1064 HydrophobicContact CE1-CB 3.82Å; Y1049-R1064 HydrophobicContact CE1-CG 3.98Å; Y1049-R1064 HydrophobicContact CE2-CG 4.24Å; R1064-E1066 IonicContact CZ-OE1 3.23Å; R1064-E1066 VanDerWaalsContact CZ-OE1 3.23Å; R1064-E1066 IonicContact NH1-OE1 3.81Å; R1064-E1066 PolarHBondContact NH1-OE1 3.39Å; R1064-E1066 IonicContact NH2-OE1 2.8Å; R1064-E1066 PolarHBondContact NH2-OE1 3.35Å |
| 1065 | L | 88 | Confident | 71.7 | Confident | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.8 | 179.9 | -63 | 169.2 | 0 | 0 | 0 | 109.4 | V1048 L1050 L1089 V1093 | V1048-L1065 PolarHBondContact N-O 3.1Å; V1048-L1065 PolarHBondContact O-N 3.48Å; L1050-L1065 HydrophobicContact CD1-CD1 3.66Å; L1050-L1065 HydrophobicContact CG-CD1 4.48Å; L1065-L1089 HydrophobicContact CB-CD2 4.33Å; L1065-L1089 HydrophobicContact CD1-CD1 3.9Å; L1065-V1093 HydrophobicContact CD1-CG2 3.51Å |
| 1066 | E | 86.2 | Confident | 70.9 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 157.9 | 175.7 | -53.8 | -165.4 | 161.2 | 0 | 0 | 110.8 | R1064 E1090 | R1064-E1066 IonicContact CZ-OE1 3.23Å; R1064-E1066 VanDerWaalsContact CZ-OE1 3.23Å; R1064-E1066 IonicContact NH1-OE1 3.81Å; R1064-E1066 PolarHBondContact NH1-OE1 3.39Å; R1064-E1066 IonicContact NH2-OE1 2.8Å; R1064-E1066 PolarHBondContact NH2-OE1 3.35Å; E1066-E1090 WeakPolarHBondContact CB-OE2 3.43Å; E1066-E1090 PolarHBondContact N-OE2 2.82Å; E1066-E1090 PolarHBondContact O-N 2.83Å |
| 1067 | V | 83 | Confident | 70 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 4% | 0.042 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.5 | -178.1 | -177.3 | 0 | 0 | 0 | 0 | 109 | A1043 V1046 V1048 A1069 M1070 L1087 K1088 | A1043-V1067 HydrophobicContact CB-CG1 4.34Å; A1043-V1067 WeakPolarHBondContact CB-O 3.27Å; V1046-V1067 HydrophobicContact CB-CB 4.35Å; V1046-V1067 HydrophobicContact CB-CG2 4.14Å; V1046-V1067 HydrophobicContact CG1-CG2 3.88Å; V1048-V1067 HydrophobicContact CG2-CG2 3.73Å; V1067-A1069 VanDerWaalsContact CG1-O 3.29Å; V1067-A1069 WeakPolarHBondContact CG1-O 3.42Å; V1067-M1070 HydrophobicContact CG1-CG 3.44Å; V1067-M1070 VanDerWaalsContact CG1-CG 3.44Å; V1067-M1070 HydrophobicContact CG1-SD 4.01Å; V1067-L1087 HydrophobicContact CG1-CB 4.13Å; V1067-L1087 HydrophobicContact CG1-CD2 4.36Å; V1067-L1087 HydrophobicContact CG2-CB 4.39Å; V1067-L1087 HydrophobicContact CG2-CD1 4.48Å; V1067-K1088 WeakPolarHBondContact CA-O 3.27Å |
| 1068 | V | 82.5 | Confident | 69.1 | Low | 86 Ų | 86 | 72.9 Ų | 72.9 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -17.9 | -177.8 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | K1088 E1090 | V1068-K1088 HydrophobicContact CG2-CB 4.31Å; V1068-K1088 HydrophobicContact CG2-CD 4.2Å; V1068-K1088 HydrophobicContact CG2-CG 4.01Å; V1068-K1088 WeakPolarHBondContact CG2-O 3.11Å; V1068-K1088 PolarHBondContact N-O 2.73Å; V1068-E1090 HydrophobicContact CG1-CB 3.67Å |
| 1069 | A | 77.8 | Confident | 68.1 | Low | 45 Ų | 45 | 69 Ų | 69 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 151.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | V1067 K1088 | V1067-A1069 VanDerWaalsContact CG1-O 3.29Å; V1067-A1069 WeakPolarHBondContact CG1-O 3.42Å; A1069-K1088 HydrophobicContact CB-CB 4.07Å; A1069-K1088 HydrophobicContact CB-CD 4.38Å; A1069-K1088 PolarHBondContact O-N 3.14Å |
| 1070 | M | 70.2 | Confident | 66.7 | Low | 30 Ų | 30 | 69.7 Ų | 69.7 | 15% | 0.148 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 145.3 | 177.7 | -57.7 | -172.7 | -60.7 | 0 | 0 | 109.4 | P1039 V1041 A1043 V1046 V1067 L1086 L1087 | P1039-M1070 HydrophobicContact CB-CB 4.33Å; P1039-M1070 HydrophobicContact CB-CE 4.18Å; V1041-M1070 HydrophobicContact CG2-CE 3.91Å; V1041-M1070 WeakPolarHBondContact O-CE 3.37Å; A1043-M1070 HydrophobicContact CB-CE 4.06Å; A1043-M1070 HydrophobicContact CB-CG 4.2Å; A1043-M1070 HydrophobicContact CB-SD 4.45Å; V1046-M1070 HydrophobicContact CB-SD 4.05Å; V1046-M1070 HydrophobicContact CG1-SD 4.34Å; V1046-M1070 HydrophobicContact CG2-CE 4.01Å; V1046-M1070 HydrophobicContact CG2-SD 3.61Å; V1067-M1070 HydrophobicContact CG1-CG 3.44Å; V1067-M1070 VanDerWaalsContact CG1-CG 3.44Å; V1067-M1070 HydrophobicContact CG1-SD 4.01Å; M1070-L1086 WeakPolarHBondContact CA-O 2.97Å; M1070-L1087 HydrophobicContact CB-CD2 4.13Å; M1070-L1087 HydrophobicContact CG-CD2 3.54Å; M1070-L1087 HydrophobicContact SD-CD2 3.54Å; M1070-L1087 VanDerWaalsContact SD-CD2 3.54Å |
| 1071 | A | 66.9 | Low | 65 | Low | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G1085 L1086 | A1071-G1085 CarbonylContact O-C 3.57Å; A1071-G1085 WeakPolarHBondContact O-CA 3.09Å; A1071-L1086 PolarHBondContact N-O 2.87Å; A1071-L1086 PolarHBondContact O-N 2.76Å |
| 1072 | A | 60.2 | Low | 63.8 | Low | 38 Ų | 38 | 65.8 Ų | 65.8 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 150.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 1073 | G | 56.8 | Low | 62.5 | Low | 35 Ų | 35 | 70.7 Ų | 70.7 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | trans | -66.1 | 167.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F1075 I1084 | G1073-F1075 VanDerWaalsContact C-N 3.3Å; G1073-F1075 PolarHBondContact O-N 3.18Å; G1073-I1084 PolarHBondContact N-O 2.8Å | ||
| 1074 | D | 57 | Low | 61.3 | Low | 159 Ų | 159 | 72.3 Ų | 72.3 | 85% | 0.85 | 43% | 0.425 | S | S | * | . | trans | -66 | 89.7 | 172.5 | -72.5 | -42.7 | 0 | 0 | 0 | 109.7 | E1076 | D1074-E1076 PolarHBondContact O-N 2.62Å; D1074-E1076 VanDerWaalsContact O-N 3.13Å | ||
| 1075 | F | 42.1 | Very low | 60.5 | Low | 90 Ų | 90 | 69.5 Ų | 69.5 | 40% | 0.395 | 43% | 0.432 | S | S | . | . | trans | -72.2 | 102.8 | 179.6 | 176.9 | -107.9 | 0 | 0 | 0 | 110.5 | G1073 V1077 S1081 D1083 | G1073-F1075 VanDerWaalsContact C-N 3.3Å; G1073-F1075 PolarHBondContact O-N 3.18Å; F1075-V1077 HydrophobicContact CD1-CG2 4.1Å; F1075-V1077 HydrophobicContact CE1-CG2 3.9Å; F1075-V1077 PolarHBondContact O-N 3.22Å; F1075-S1081 WeakPolarHBondContact CA-O 2.96Å; F1075-D1083 HydrophobicContact CD2-CB 4.16Å; F1075-D1083 HydrophobicContact CE2-CB 4.24Å; F1075-D1083 WeakPolarHBondContact CE2-OD1 3.37Å | ||
| 1076 | E | 50.6 | Low | 59.8 | Low | 113 Ų | 113 | 72.1 Ų | 72.1 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -94.3 | 99.3 | -178 | -167.4 | 167.3 | -142.4 | 0 | 0 | 110.7 | D1074 S1078 T1079 A1080 S1081 | D1074-E1076 PolarHBondContact O-N 2.62Å; D1074-E1076 VanDerWaalsContact O-N 3.13Å; E1076-S1078 PolarHBondContact O-N 2.78Å; E1076-T1079 PolarHBondContact O-N 3.15Å; E1076-T1079 PolarHBondContact O-OG1 3.35Å; E1076-A1080 PolarHBondContact O-N 2.92Å; E1076-S1081 PolarHBondContact N-O 2.85Å |
| 1077 | V | 48.3 | Very low | 59.5 | Low | 123 Ų | 123 | 71 Ų | 71 | 75% | 0.745 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -28 | -172.4 | -172.8 | 0 | 0 | 0 | 0 | 114.2 | F1075 | F1075-V1077 HydrophobicContact CD1-CG2 4.1Å; F1075-V1077 HydrophobicContact CE1-CG2 3.9Å; F1075-V1077 PolarHBondContact O-N 3.22Å |
| 1078 | S | 43.6 | Very low | 59.3 | Low | 102 Ų | 102 | 77.3 Ų | 77.3 | 71% | 0.713 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27.3 | -178.5 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | E1076 | E1076-S1078 PolarHBondContact O-N 2.78Š|
| 1079 | T | 44.1 | Very low | 59.4 | Low | 47 Ų | 47 | 74.9 Ų | 74.9 | 29% | 0.288 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -15.5 | -178.1 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | E1076 S1081 | E1076-T1079 PolarHBondContact O-N 3.15Å; E1076-T1079 PolarHBondContact O-OG1 3.35Å; T1079-S1081 PolarHBondContact O-N 3.21Å; T1079-S1081 WeakPolarHBondContact OG1-CB 3.07Å; T1079-S1081 PolarHBondContact OG1-N 3.4Å; T1079-S1081 PolarHBondContact OG1-OG 2.85Å |
| 1080 | A | 40.7 | Very low | 59.4 | Low | 64 Ų | 64 | 76.2 Ų | 76.2 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 25.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1076 | E1076-A1080 PolarHBondContact O-N 2.92Š|
| 1081 | S | 39 | Very low | 59.9 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | B | Isolated β-bridge | trans | -87.4 | 157.5 | 172.5 | 73.3 | 0 | 0 | 0 | 0 | 110.8 | F1075 E1076 T1079 | F1075-S1081 WeakPolarHBondContact CA-O 2.96Å; E1076-S1081 PolarHBondContact N-O 2.85Å; T1079-S1081 PolarHBondContact O-N 3.21Å; T1079-S1081 WeakPolarHBondContact OG1-CB 3.07Å; T1079-S1081 PolarHBondContact OG1-N 3.4Å; T1079-S1081 PolarHBondContact OG1-OG 2.85Å |
| 1082 | G | 49.6 | Very low | 60.1 | Low | 31 Ų | 31 | 89.7 Ų | 89.7 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | trans | 84.9 | 10.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I1084 | G1082-I1084 PolarHBondContact O-N 2.88Š| ||
| 1083 | D | 54.3 | Low | 60.8 | Low | 124 Ų | 124 | 89.3 Ų | 89.3 | 66% | 0.663 | 50% | 0.503 | S | S | * | . | trans | -73.3 | 45.6 | -172.7 | -138.5 | 1.4 | 0 | 0 | 0 | 114.4 | F1075 | F1075-D1083 HydrophobicContact CD2-CB 4.16Å; F1075-D1083 HydrophobicContact CE2-CB 4.24Å; F1075-D1083 WeakPolarHBondContact CE2-OD1 3.37Å | ||
| 1084 | I | 59.2 | Low | 61.6 | Low | 127 Ų | 127 | 93 Ų | 93 | 65% | 0.651 | 52% | 0.518 | S | S | * | . | trans | -122.2 | 119.5 | -176.1 | -60.4 | 176.5 | 0 | 0 | 0 | 109.9 | G1073 G1082 | G1073-I1084 PolarHBondContact N-O 2.8Å; G1082-I1084 PolarHBondContact O-N 2.88Å | ||
| 1085 | G | 69.8 | Low | 62.3 | Low | 56 Ų | 56 | 90.5 Ų | 90.5 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1071 | A1071-G1085 CarbonylContact O-C 3.57Å; A1071-G1085 WeakPolarHBondContact O-CA 3.09Å |
| 1086 | L | 73.3 | Confident | 63.8 | Low | 75 Ų | 75 | 88.9 Ų | 88.9 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.1 | 170.8 | -75.4 | 169.1 | 0 | 0 | 0 | 109.9 | I1027 M1070 A1071 | I1027-L1086 HydrophobicContact CD1-CD2 4.31Å; M1070-L1086 WeakPolarHBondContact CA-O 2.97Å; A1071-L1086 PolarHBondContact N-O 2.87Å; A1071-L1086 PolarHBondContact O-N 2.76Å |
| 1087 | L | 79.5 | Confident | 64.3 | Low | 66 Ų | 66 | 87 Ų | 87 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | -179 | -51.9 | 179.7 | 0 | 0 | 0 | 110.5 | V1011 V1046 V1048 V1067 M1070 | V1011-L1087 HydrophobicContact CG1-CD1 3.82Å; V1011-L1087 HydrophobicContact CG2-CD1 3.87Å; V1046-L1087 HydrophobicContact CG1-CD1 4.34Å; V1048-L1087 HydrophobicContact CG2-CD1 4.04Å; V1067-L1087 HydrophobicContact CG1-CB 4.13Å; V1067-L1087 HydrophobicContact CG1-CD2 4.36Å; V1067-L1087 HydrophobicContact CG2-CB 4.39Å; V1067-L1087 HydrophobicContact CG2-CD1 4.48Å; M1070-L1087 HydrophobicContact CB-CD2 4.13Å; M1070-L1087 HydrophobicContact CG-CD2 3.54Å; M1070-L1087 HydrophobicContact SD-CD2 3.54Å; M1070-L1087 VanDerWaalsContact SD-CD2 3.54Å |
| 1088 | K | 80.8 | Confident | 65.4 | Low | 140 Ų | 140 | 81.3 Ų | 81.3 | 61% | 0.609 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.4 | 172.6 | -170.4 | 179.9 | -178.7 | -180 | 0 | 109.9 | V1067 V1068 A1069 | V1067-K1088 WeakPolarHBondContact CA-O 3.27Å; V1068-K1088 HydrophobicContact CG2-CB 4.31Å; V1068-K1088 HydrophobicContact CG2-CD 4.2Å; V1068-K1088 HydrophobicContact CG2-CG 4.01Å; V1068-K1088 WeakPolarHBondContact CG2-O 3.11Å; V1068-K1088 PolarHBondContact N-O 2.73Å; A1069-K1088 HydrophobicContact CB-CB 4.07Å; A1069-K1088 HydrophobicContact CB-CD 4.38Å; A1069-K1088 PolarHBondContact O-N 3.14Å |
| 1089 | L | 82.6 | Confident | 66.8 | Low | 35 Ų | 35 | 76.5 Ų | 76.5 | 18% | 0.183 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 151.4 | 179.6 | -54.2 | 173.6 | 0 | 0 | 0 | 111.5 | L1026 V1048 L1050 L1065 K1091 V1093 | L1026-L1089 HydrophobicContact CD1-CD1 3.91Å; V1048-L1089 HydrophobicContact CB-CD2 3.85Å; V1048-L1089 HydrophobicContact CG1-CD2 4.17Å; V1048-L1089 HydrophobicContact CG2-CD2 3.79Å; L1050-L1089 HydrophobicContact CD1-CD1 4.42Å; L1065-L1089 HydrophobicContact CB-CD2 4.33Å; L1065-L1089 HydrophobicContact CD1-CD1 3.9Å; L1089-K1091 PolarHBondContact O-N 2.66Å; L1089-V1093 HydrophobicContact CD1-CG2 3.78Å |
| 1090 | E | 78.1 | Confident | 68.1 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 35% | 0.346 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -61.5 | -29.3 | -177.8 | 93.1 | -172.7 | -125 | 0 | 0 | 114 | E1066 V1068 | E1066-E1090 WeakPolarHBondContact CB-OE2 3.43Å; E1066-E1090 PolarHBondContact N-OE2 2.82Å; E1066-E1090 PolarHBondContact O-N 2.83Å; V1068-E1090 HydrophobicContact CG1-CB 3.67Å |
| 1091 | K | 81 | Confident | 69.3 | Low | 133 Ų | 133 | 76.5 Ų | 76.5 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -141.7 | 149.6 | -169.9 | -86.3 | 156.1 | -170.2 | 153.4 | 0 | 110.2 | L1089 | L1089-K1091 PolarHBondContact O-N 2.66Š|
| 1092 | E | 71.3 | Confident | 70.3 | Confident | 195 Ų | 195 | 76.6 Ų | 76.6 | 91% | 0.911 | 42% | 0.419 | S | S | * | . | trans | -61.4 | 141.2 | 168.4 | -64.5 | -173 | 161.6 | 0 | 0 | 111 | ||||
| 1093 | V | 75.1 | Confident | 70.5 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | trans | -99.5 | 124.3 | -174.8 | -175.4 | 0 | 0 | 0 | 0 | 110 | L1026 L1050 L1065 L1089 Y1095 I1099 | L1026-V1093 HydrophobicContact CD1-CG2 4.5Å; L1026-V1093 HydrophobicContact CD2-CG1 4.4Å; L1050-V1093 HydrophobicContact CD1-CB 4.44Å; L1050-V1093 HydrophobicContact CD1-CG1 3.78Å; L1050-V1093 HydrophobicContact CD1-CG2 3.88Å; L1065-V1093 HydrophobicContact CD1-CG2 3.51Å; L1089-V1093 HydrophobicContact CD1-CG2 3.78Å; V1093-Y1095 PolarHBondContact O-N 3.28Å; V1093-I1099 HydrophobicContact CG1-CG2 3.62Å | ||
| 1094 | T | 73.8 | Confident | 70.2 | Confident | 111 Ų | 111 | 77.6 Ų | 77.6 | 68% | 0.681 | 42% | 0.423 | S | S | * | . | trans | -75.6 | 108.2 | 172.4 | 39.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1095 | Y | 71.9 | Confident | 69.4 | Low | 107 Ų | 107 | 77 Ų | 77 | 42% | 0.42 | 43% | 0.428 | S | S | . | . | trans | -64.9 | 144.4 | 178.1 | -60 | -38.1 | 0 | 0 | 0 | 112.5 | L1026 V1093 I1099 | L1026-Y1095 HydrophobicContact CD2-CD1 4.29Å; L1026-Y1095 HydrophobicContact CD2-CE1 3.74Å; L1026-Y1095 HydrophobicContact CG-CE1 4.42Å; V1093-Y1095 PolarHBondContact O-N 3.28Å; Y1095-I1099 CarbonylContact C-O 3.59Å; Y1095-I1099 WeakPolarHBondContact CA-O 3.38Å; Y1095-I1099 WeakPolarHBondContact CB-O 3.23Å | ||
| 1096 | N | 74.1 | Confident | 68 | Low | 57 Ų | 57 | 78.7 Ų | 78.7 | 31% | 0.305 | 43% | 0.426 | S | S | . | . | trans | -151.9 | -167.2 | 177.6 | 63.1 | 61.9 | 0 | 0 | 0 | 109.9 | A1098 I1099 Q1100 | N1096-A1098 VanDerWaalsContact C-N 3.25Å; N1096-A1098 PolarHBondContact O-N 3.1Å; N1096-A1098 WeakPolarHBondContact OD1-CA 3.42Å; N1096-A1098 WeakPolarHBondContact OD1-CB 3.32Å; N1096-A1098 PolarHBondContact OD1-N 3.41Å; N1096-I1099 PolarHBondContact N-O 3.18Å; N1096-I1099 PolarHBondContact O-N 2.96Å; N1096-I1099 VanDerWaalsContact O-O 3.06Å; N1096-I1099 PolarHBondContact OD1-N 2.94Å; N1096-Q1100 VanDerWaalsContact O-CG 3.25Å; N1096-Q1100 WeakPolarHBondContact O-CG 3.15Å; N1096-Q1100 PolarHBondContact O-NE2 3.17Å | ||
| 1097 | A | 60 | Low | 66.4 | Low | 73 Ų | 73 | 84.1 Ų | 84.1 | 60% | 0.603 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -66.6 | -23.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1098 | A | 70.9 | Confident | 64.5 | Low | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.033 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -98.3 | -15 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1003 G1051 V1061 N1096 | H1003-A1098 HydrophobicContact CB-CB 4.49Å; H1003-A1098 VanDerWaalsContact CE1-CB 3.5Å; H1003-A1098 WeakPolarHBondContact CE1-CB 3.22Å; H1003-A1098 VanDerWaalsContact ND1-CB 3.27Å; H1003-A1098 WeakPolarHBondContact ND1-CB 3.41Å; G1051-A1098 WeakPolarHBondContact CA-O 3.45Å; V1061-A1098 HydrophobicContact CB-CB 4.02Å; V1061-A1098 HydrophobicContact CG2-CB 3.71Å; N1096-A1098 VanDerWaalsContact C-N 3.25Å; N1096-A1098 PolarHBondContact O-N 3.1Å; N1096-A1098 WeakPolarHBondContact OD1-CA 3.42Å; N1096-A1098 WeakPolarHBondContact OD1-CB 3.32Å; N1096-A1098 PolarHBondContact OD1-N 3.41Å |
| 1099 | I | 74.2 | Confident | 62.1 | Low | 0 Ų | 0 | 89.7 Ų | 89.7 | 0% | 0 | 48% | 0.481 | C | S | . | . | trans | -138.2 | 112.5 | -173 | -55.4 | 178.2 | 0 | 0 | 0 | 109.8 | P1006 L1026 L1050 V1061 K1063 V1093 Y1095 N1096 | P1006-I1099 CarbonylContact O-C 3.58Å; P1006-I1099 VanDerWaalsContact O-CA 3.31Å; P1006-I1099 WeakPolarHBondContact O-CA 3.37Å; L1026-I1099 HydrophobicContact CD2-CG2 3.64Å; L1050-I1099 HydrophobicContact CB-CD1 3.81Å; L1050-I1099 HydrophobicContact CB-CG1 4.07Å; L1050-I1099 HydrophobicContact CB-CG2 4.06Å; L1050-I1099 HydrophobicContact CD1-CG2 4.07Å; V1061-I1099 WeakPolarHBondContact O-CD1 3.22Å; K1063-I1099 HydrophobicContact CB-CD1 4.11Å; K1063-I1099 HydrophobicContact CG-CD1 3.67Å; V1093-I1099 HydrophobicContact CG1-CG2 3.62Å; Y1095-I1099 CarbonylContact C-O 3.59Å; Y1095-I1099 WeakPolarHBondContact CA-O 3.38Å; Y1095-I1099 WeakPolarHBondContact CB-O 3.23Å; N1096-I1099 PolarHBondContact N-O 3.18Å; N1096-I1099 PolarHBondContact O-N 2.96Å; N1096-I1099 VanDerWaalsContact O-O 3.06Å; N1096-I1099 PolarHBondContact OD1-N 2.94Å | ||
| 1100 | Q | 69.9 | Low | 59.8 | Low | 90 Ų | 90 | 91.4 Ų | 91.4 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | trans | -144.6 | 150.6 | 178.5 | -61.2 | -173.6 | -5.9 | 0 | 0 | 110.7 | P1006 W1007 N1096 | P1006-Q1100 HydrophobicContact CB-CB 4.03Å; P1006-Q1100 HydrophobicContact CB-CG 3.99Å; P1006-Q1100 HydrophobicContact CG-CB 3.98Å; P1006-Q1100 HydrophobicContact CG-CG 4.05Å; P1006-Q1100 PolarHBondContact O-N 3.28Å; W1007-Q1100 WeakPolarHBondContact CA-O 3.03Å; W1007-Q1100 VanDerWaalsContact CB-O 3.27Å; W1007-Q1100 WeakPolarHBondContact CB-O 3.39Å; W1007-Q1100 PolarHBondContact N-O 3.47Å; N1096-Q1100 VanDerWaalsContact O-CG 3.25Å; N1096-Q1100 WeakPolarHBondContact O-CG 3.15Å; N1096-Q1100 PolarHBondContact O-NE2 3.17Å | ||
| 1101 | G | 67.3 | Low | 57.5 | Low | 22 Ų | 22 | 95.9 Ų | 95.9 | 23% | 0.227 | 53% | 0.533 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 145.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L1026 | L1026-G1101 CarbonylContact O-C 3.6Å; L1026-G1101 VanDerWaalsContact O-CA 3.24Å; L1026-G1101 WeakPolarHBondContact O-CA 3.49Å |
| 1102 | V | 59.4 | Low | 55 | Low | 59 Ų | 59 | 95 Ų | 95 | 36% | 0.358 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -86.9 | 148.9 | 165.3 | 70.5 | 0 | 0 | 0 | 0 | 110.7 | W1007 L1026 I1027 N1028 | W1007-V1102 HydrophobicContact CB-CB 4.44Å; W1007-V1102 HydrophobicContact CG-CB 4.48Å; L1026-V1102 PolarHBondContact O-N 2.85Å; I1027-V1102 CarbonylContact C-O 3.57Å; I1027-V1102 WeakPolarHBondContact CA-O 3.2Å; I1027-V1102 HydrophobicContact CG1-CG1 4.19Å; N1028-V1102 PolarHBondContact N-O 3.25Å |
| 1103 | C | 54.9 | Low | 53 | Low | 93 Ų | 93 | 97 Ų | 97 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 135.1 | 176 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1104 | L | 47 | Very low | 51 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 144.3 | 168.5 | -78.4 | 174.2 | 0 | 0 | 0 | 111 | I1027 W1029 | I1027-L1104 HydrophobicContact CD1-CD1 3.92Å; I1027-L1104 HydrophobicContact CD1-CD2 4.5Å; I1027-L1104 HydrophobicContact CD1-CG 4.2Å; I1027-L1104 HydrophobicContact CG2-CD1 3.87Å; I1027-L1104 HydrophobicContact CG2-CG 3.75Å; W1029-L1104 HydrophobicContact CE3-CD1 3.73Å; W1029-L1104 HydrophobicContact CZ3-CB 4.3Å; W1029-L1104 HydrophobicContact CZ3-CD1 3.53Å |
| 1105 | P | 42.8 | Very low | 48.8 | Very low | 115 Ų | 115 | 105.5 Ų | 105.5 | 75% | 0.747 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145.2 | 170.8 | 30.7 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 1106 | T | 41.2 | Very low | 46.9 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 143.5 | 174.3 | 44.1 | 0 | 0 | 0 | 0 | 111.1 | N1108 | T1106-N1108 PolarHBondContact O-N 3.06Š|
| 1107 | E | 38.2 | Very low | 44.9 | Very low | 189 Ų | 189 | 107.6 Ų | 107.6 | 88% | 0.883 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -66 | -10.2 | -168.1 | -66.8 | -178.4 | 132.4 | 0 | 0 | 116.2 | ||
| 1108 | N | 39.3 | Very low | 43.7 | Very low | 140 Ų | 140 | 109 Ų | 109 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -139.8 | 138.7 | 172.9 | -75.5 | -75.9 | 0 | 0 | 0 | 110.4 | T1106 | T1106-N1108 PolarHBondContact O-N 3.06Š|
| 1109 | E | 30.1 | Very low | 42 | Very low | 183 Ų | 183 | 115.5 Ų | 115.5 | 86% | 0.855 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 69.6 | 137.3 | -178.1 | -52.6 | -165.5 | 156.9 | 0 | 0 | 117 | ||
| 1110 | G | 34.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -83.1 | 149 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1111 | L | 29.8 | Very low | 40.1 | Very low | 168 Ų | 168 | 116.6 Ų | 116.6 | 88% | 0.88 | 66% | 0.661 | S | S | * | * | trans | 63.5 | 95.8 | 170.9 | -66 | 165.3 | 0 | 0 | 0 | 115.4 | ||||
| 1112 | P | 29.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | -65.8 | 150.8 | 172.8 | 28.8 | -35 | 0 | 0 | 0 | 112.1 | ||||
| 1113 | R | 28.2 | Very low | 41.2 | Very low | 238 Ų | 238 | 113.7 Ų | 113.7 | 90% | 0.898 | 64% | 0.64 | S | S | * | * | trans | -70.8 | 139.1 | 179.9 | -61.4 | -177.6 | -174.5 | -156 | 1.2 | 111.5 | E1115 | R1113-E1115 PolarHBondContact O-N 3.41Š| ||
| 1114 | P | 32.8 | Very low | 42.3 | Very low | 130 Ų | 130 | 114 Ų | 114 | 84% | 0.844 | 63% | 0.631 | S | S | * | * | trans | -85.3 | 95.3 | -174.5 | 33 | -35.2 | 0 | 0 | 0 | 113.2 | ||||
| 1115 | E | 27.9 | Very low | 43.6 | Very low | 190 Ų | 190 | 110.6 Ų | 110.6 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | trans | -129.2 | 80.6 | 165.1 | -72.9 | -171.7 | -164.5 | 0 | 0 | 111.5 | R1113 | R1113-E1115 PolarHBondContact O-N 3.41Š| ||
| 1116 | S | 33.5 | Very low | 44.7 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -160.8 | 140.5 | 164.6 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | C1118 | S1116-C1118 PolarHBondContact O-N 3.39Å; S1116-C1118 VanDerWaalsContact O-N 3.15Å |
| 1117 | P | 31.9 | Very low | 46.1 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -91.2 | 85.2 | -157.2 | 35.4 | -36.9 | 0 | 0 | 0 | 114.9 | ||||
| 1118 | C | 33.3 | Very low | 47.6 | Very low | 104 Ų | 104 | 108.1 Ų | 108.1 | 70% | 0.703 | 58% | 0.581 | S | S | * | * | trans | -95.7 | 77.9 | 152 | -67.5 | 0 | 0 | 0 | 0 | 109.3 | S1116 A1120 N1180 | S1116-C1118 PolarHBondContact O-N 3.39Å; S1116-C1118 VanDerWaalsContact O-N 3.15Å; C1118-A1120 VanDerWaalsContact C-N 3.29Å; C1118-A1120 PolarHBondContact O-N 3.2Å; C1118-N1180 PolarHBondContact O-ND2 2.91Å; C1118-N1180 VanDerWaalsContact O-ND2 3.12Å; C1118-N1180 PolarHBondContact O-OD1 3.36Å | ||
| 1119 | L | 37.1 | Very low | 49 | Very low | 139 Ų | 139 | 102 Ų | 102 | 73% | 0.728 | 55% | 0.548 | S | S | * | . | trans | -68.3 | 81.5 | 177.8 | -89.9 | 158.6 | 0 | 0 | 0 | 111.4 | L1121 | L1119-L1121 VanDerWaalsContact C-N 3.29Å; L1119-L1121 PolarHBondContact O-N 3.18Å | ||
| 1120 | A | 43.6 | Very low | 50.7 | Low | 16 Ų | 16 | 97.2 Ų | 97.2 | 13% | 0.132 | 53% | 0.532 | C | S | . | . | trans | -77.5 | 78.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C1118 C1122 N1180 Y1213 | C1118-A1120 VanDerWaalsContact C-N 3.29Å; C1118-A1120 PolarHBondContact O-N 3.2Å; A1120-C1122 PolarHBondContact O-N 2.93Å; A1120-N1180 PolarHBondContact N-OD1 2.82Å; A1120-Y1213 HydrophobicContact CB-CD2 3.97Å; A1120-Y1213 HydrophobicContact CB-CG 4.37Å | ||
| 1121 | L | 60.8 | Low | 51.9 | Low | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | trans | -53.8 | 131.2 | 170.6 | -69.9 | 173.1 | 0 | 0 | 0 | 110.1 | L1119 K1124 | L1119-L1121 VanDerWaalsContact C-N 3.29Å; L1119-L1121 PolarHBondContact O-N 3.18Å; L1121-K1124 HydrophobicContact CB-CD 4.08Å; L1121-K1124 HydrophobicContact CD1-CD 4.15Å | ||
| 1122 | C | 74.6 | Confident | 52.8 | Low | 20 Ų | 20 | 91.4 Ų | 91.4 | 14% | 0.135 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 152.3 | 178.2 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | A1120 K1124 H1175 G1219 C1221 | A1120-C1122 PolarHBondContact O-N 2.93Å; C1122-K1124 PolarHBondContact O-N 3.07Å; C1122-H1175 HydrophobicContact CB-CB 3.43Å; C1122-H1175 VanDerWaalsContact CB-CB 3.43Å; C1122-H1175 WeakPolarHBondContact CB-ND1 2.98Å; C1122-H1175 PolarHBondContact SG-ND1 3.28Å; C1122-H1175 VanDerWaalsContact SG-ND1 3.45Å; C1122-G1219 VanDerWaalsContact CA-O 3.31Å; C1122-G1219 WeakPolarHBondContact CA-O 3.4Å; C1122-G1219 WeakPolarHBondContact CB-O 3.35Å; C1122-C1221 HydrophobicContact CB-CB 4.08Å; C1122-C1221 WeakPolarHBondContact CB-SG 3.13Å; C1122-C1221 PolarHBondContact O-SG 3.22Å; C1122-C1221 VanDerWaalsContact SG-CA 3.5Å; C1122-C1221 WeakPolarHBondContact SG-CB 3.43Å; C1122-C1221 CovalentContact SG-SG 2.05Å; C1122-C1221 PolarHBondContact SG-SG 2.82Å |
| 1123 | G | 74.6 | Confident | 53.5 | Low | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 17.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P1125 G1219 T1251 F1252 | G1123-P1125 WeakPolarHBondContact O-CD 3.34Å; G1123-G1219 PolarHBondContact N-O 3.4Å; G1123-T1251 CarbonylContact O-C 3.49Å; G1123-T1251 WeakPolarHBondContact O-CA 3.41Å; G1123-F1252 WeakPolarHBondContact CA-O 3.31Å; G1123-F1252 WeakPolarHBondContact O-CD2 3.19Å; G1123-F1252 PolarHBondContact O-N 2.96Å |
| 1124 | K | 76.7 | Confident | 54 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | trans | -117.9 | 72.5 | 177.4 | -69.2 | -172.3 | -178.2 | 178.5 | 0 | 110.9 | L1121 C1122 Q1218 T1251 | L1121-K1124 HydrophobicContact CB-CD 4.08Å; L1121-K1124 HydrophobicContact CD1-CD 4.15Å; C1122-K1124 PolarHBondContact O-N 3.07Å; K1124-Q1218 PolarHBondContact O-OE1 3.35Å; K1124-T1251 WeakPolarHBondContact CE-OG1 3.17Å; K1124-T1251 HydrophobicContact CG-CG2 4.22Å | ||
| 1125 | P | 74.3 | Confident | 53.9 | Low | 11 Ų | 11 | 85.7 Ų | 85.7 | 7% | 0.071 | 47% | 0.472 | C | S | . | . | trans | -66.2 | 140.8 | -173.2 | 33.3 | -37.8 | 0 | 0 | 0 | 110.7 | G1123 F1127 P1153 W1154 F1252 | G1123-P1125 WeakPolarHBondContact O-CD 3.34Å; P1125-F1127 VanDerWaalsContact C-N 3.28Å; P1125-F1127 WeakPolarHBondContact CB-O 3.45Å; P1125-F1127 PolarHBondContact O-N 3.11Å; P1125-P1153 VanDerWaalsContact CB-CD 3.5Å; P1125-P1153 HydrophobicContact CB-CG 3.62Å; P1125-W1154 HydrophobicContact CB-CH2 4.18Å; P1125-W1154 HydrophobicContact CB-CZ3 3.9Å; P1125-W1154 HydrophobicContact CG-CH2 3.81Å; P1125-W1154 HydrophobicContact CG-CZ3 3.91Å; P1125-F1252 HydrophobicContact CG-CD2 4.01Å; P1125-F1252 HydrophobicContact CG-CE2 3.85Å | ||
| 1126 | F | 67.6 | Low | 54.1 | Low | 133 Ų | 133 | 85.9 Ų | 85.9 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -60.5 | -40 | 178.7 | -172.7 | -91.8 | 0 | 0 | 0 | 111.7 | V1215 | F1126-V1215 HydrophobicContact CB-CG1 4.37Å; F1126-V1215 HydrophobicContact CB-CG2 4.48Å; F1126-V1215 HydrophobicContact CD1-CG1 4.48Å; F1126-V1215 HydrophobicContact CD2-CG2 4.18Å; F1126-V1215 HydrophobicContact CG-CG1 4.37Å; F1126-V1215 HydrophobicContact CG-CG2 4.33Å |
| 1127 | F | 70.6 | Confident | 54.1 | Low | 84 Ų | 84 | 83.7 Ų | 83.7 | 37% | 0.368 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -100 | 121.8 | 169.7 | -56.2 | -81.3 | 0 | 0 | 0 | 109.2 | P1125 H1150 S1151 | P1125-F1127 VanDerWaalsContact C-N 3.28Å; P1125-F1127 WeakPolarHBondContact CB-O 3.45Å; P1125-F1127 PolarHBondContact O-N 3.11Å; F1127-H1150 HydrophobicContact CD2-CB 3.7Å; F1127-H1150 HydrophobicContact CE2-CB 4.04Å; F1127-S1151 VanDerWaalsContact O-CA 3.26Å; F1127-S1151 WeakPolarHBondContact O-CA 3.41Å |
| 1128 | K | 68.3 | Low | 54.2 | Low | 125 Ų | 125 | 90.3 Ų | 90.3 | 54% | 0.543 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -75 | 137.2 | 179.5 | -65.4 | -169 | -178 | -173.3 | 0 | 112.1 | N1250 | K1128-N1250 PolarHBondContact NZ-ND2 3.02Å; K1128-N1250 PolarHBondContact NZ-OD1 3.23Å |
| 1129 | P | 69.1 | Low | 54.1 | Low | 10 Ų | 10 | 92.4 Ų | 92.4 | 7% | 0.065 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 144 | 162.4 | -31.3 | 38.4 | 0 | 0 | 0 | 112.7 | S1151 L1237 F1252 | P1129-S1151 VanDerWaalsContact CD-O 3.31Å; P1129-S1151 WeakPolarHBondContact CD-O 3.44Å; P1129-S1151 VanDerWaalsContact CG-O 3.29Å; P1129-S1151 WeakPolarHBondContact CG-O 3.49Å; P1129-L1237 HydrophobicContact CB-CD1 4.38Å; P1129-F1252 HydrophobicContact CB-CE1 4.33Å; P1129-F1252 HydrophobicContact CB-CZ 3.95Å; P1129-F1252 HydrophobicContact CG-CE1 3.92Å; P1129-F1252 HydrophobicContact CG-CE2 4.01Å; P1129-F1252 HydrophobicContact CG-CZ 3.46Å; P1129-F1252 VanDerWaalsContact CG-CZ 3.46Å |
| 1130 | V | 66 | Low | 54.1 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -99.7 | 126.8 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | K1148 | V1130-K1148 HydrophobicContact CG2-CD 4.17Š|
| 1131 | F | 59.1 | Low | 54.2 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -95.7 | 131.1 | 170.4 | -58.6 | -89.8 | 0 | 0 | 0 | 108.7 | P1235 L1237 L1247 F1252 | F1131-P1235 HydrophobicContact CD1-CB 3.74Å; F1131-P1235 HydrophobicContact CE1-CB 3.64Å; F1131-P1235 HydrophobicContact CE1-CG 4.22Å; F1131-P1235 HydrophobicContact CE2-CG 4.47Å; F1131-P1235 HydrophobicContact CG-CB 4.25Å; F1131-P1235 HydrophobicContact CZ-CB 4.1Å; F1131-P1235 HydrophobicContact CZ-CG 4.16Å; F1131-L1237 HydrophobicContact CD1-CD1 4.26Å; F1131-L1237 HydrophobicContact CD1-CD2 4.11Å; F1131-L1237 HydrophobicContact CD1-CG 4.18Å; F1131-L1237 HydrophobicContact CE1-CD1 3.74Å; F1131-L1237 HydrophobicContact CE1-CD2 4.23Å; F1131-L1237 HydrophobicContact CE1-CG 3.77Å; F1131-L1237 HydrophobicContact CZ-CD1 4.33Å; F1131-L1247 HydrophobicContact CE2-CB 4.41Å; F1131-L1247 HydrophobicContact CE2-CD2 3.68Å; F1131-L1247 HydrophobicContact CZ-CB 3.9Å; F1131-L1247 HydrophobicContact CZ-CD2 4.04Å; F1131-F1252 HydrophobicContact CE2-CE1 4.45Å; F1131-F1252 HydrophobicContact CE2-CZ 4.39Å; F1131-F1252 AromaticContact CZ-CE1 3.84Å; F1131-F1252 HydrophobicContact CZ-CE1 3.84Å; F1131-F1252 HydrophobicContact CZ-CZ 4.22Å |
| 1132 | S | 49.9 | Very low | 53.2 | Low | 52 Ų | 52 | 103 Ų | 103 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -91.5 | 138.1 | 172.2 | 65.8 | 0 | 0 | 0 | 0 | 111 | I1145 | S1132-I1145 VanDerWaalsContact CB-CD1 3.46Š|
| 1133 | T | 43.8 | Very low | 51.7 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 88% | 0.877 | 54% | 0.539 | S | S | * | . | trans | -102.9 | -3.6 | 170.8 | 47.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1134 | E | 37.6 | Very low | 50.5 | Low | 166 Ų | 166 | 108.2 Ų | 108.2 | 78% | 0.776 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -126.5 | 122.5 | -171.3 | -65.4 | -175.2 | 143.6 | 0 | 0 | 112 | Q1136 | E1134-Q1136 PolarHBondContact O-N 3.11Š|
| 1135 | G | 32.5 | Very low | 49.7 | Very low | 52 Ų | 52 | 109 Ų | 109 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | trans | -88.2 | 88.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1136 | Q | 31.9 | Very low | 49.1 | Very low | 193 Ų | 193 | 117.1 Ų | 117.1 | 90% | 0.902 | 60% | 0.598 | S | S | * | * | trans | -144.8 | 85.5 | 167.1 | -69.4 | -164.7 | -0.2 | 0 | 0 | 113.1 | E1134 | E1134-Q1136 PolarHBondContact O-N 3.11Š| ||
| 1137 | A | 33.5 | Very low | 49 | Very low | 54 Ų | 54 | 113.7 Ų | 113.7 | 45% | 0.446 | 59% | 0.594 | S | S | . | * | trans | -162 | 133.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1138 | R | 32.8 | Very low | 48.8 | Very low | 246 Ų | 246 | 116.5 Ų | 116.5 | 93% | 0.928 | 61% | 0.606 | S | S | * | * | trans | -90.7 | 96.7 | 170.6 | -71.5 | 175 | 174.3 | 160.8 | -2.8 | 109.6 | ||||
| 1139 | N | 32.1 | Very low | 48.7 | Very low | 149 Ų | 149 | 119.1 Ų | 119.1 | 80% | 0.797 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -161.4 | -178.6 | 159.2 | -101.8 | -32.3 | 0 | 0 | 0 | 111 | I1141 | N1139-I1141 CarbonylContact O-C 3.54Å; N1139-I1141 VanDerWaalsContact O-C 3.26Å; N1139-I1141 PolarHBondContact O-N 2.86Å |
| 1140 | R | 37 | Very low | 48.7 | Very low | 258 Ų | 258 | 121.9 Ų | 121.9 | 97% | 0.974 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -54.3 | -16.4 | -159.8 | -151.7 | 174.3 | -171.6 | 163.5 | 0.4 | 117.4 | ||
| 1141 | I | 45.7 | Very low | 49.3 | Very low | 112 Ų | 112 | 118 Ų | 118 | 57% | 0.574 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -109.9 | 108.6 | 164.7 | -57.4 | 175.7 | 0 | 0 | 0 | 106.6 | N1139 N1143 G1144 | N1139-I1141 CarbonylContact O-C 3.54Å; N1139-I1141 VanDerWaalsContact O-C 3.26Å; N1139-I1141 PolarHBondContact O-N 2.86Å; I1141-N1143 PolarHBondContact O-N 2.83Å; I1141-N1143 VanDerWaalsContact O-N 3.13Å; I1141-G1144 PolarHBondContact O-N 2.98Å |
| 1142 | S | 38.7 | Very low | 50.3 | Low | 106 Ų | 106 | 117 Ų | 117 | 74% | 0.741 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 118.3 | -177.9 | 51 | 0 | 0 | 0 | 0 | 110.9 | G1144 | S1142-G1144 VanDerWaalsContact C-N 3.31Å; S1142-G1144 PolarHBondContact O-N 2.77Å |
| 1143 | N | 43.2 | Very low | 51.8 | Low | 99 Ų | 99 | 115 Ų | 115 | 53% | 0.529 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.2 | 17.3 | -176.2 | -51.9 | -23.7 | 0 | 0 | 0 | 116 | I1141 | I1141-N1143 PolarHBondContact O-N 2.83Å; I1141-N1143 VanDerWaalsContact O-N 3.13Å |
| 1144 | G | 51.2 | Low | 53.6 | Low | 30 Ų | 30 | 108.4 Ų | 108.4 | 31% | 0.309 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 147.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1141 S1142 | I1141-G1144 PolarHBondContact O-N 2.98Å; S1142-G1144 VanDerWaalsContact C-N 3.31Å; S1142-G1144 PolarHBondContact O-N 2.77Å |
| 1145 | I | 58.8 | Low | 55.7 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 59% | 0.59 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -97.9 | 145.2 | 166.1 | -61.9 | -170 | 0 | 0 | 0 | 109.3 | S1132 A1147 | S1132-I1145 VanDerWaalsContact CB-CD1 3.46Å; I1145-A1147 PolarHBondContact O-N 3.03Å |
| 1146 | E | 61 | Low | 57.7 | Low | 183 Ų | 183 | 104.9 Ų | 104.9 | 86% | 0.855 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 125.8 | 173.4 | -171.2 | 177.5 | 170.7 | 0 | 0 | 111.4 | K1148 | E1146-K1148 PolarHBondContact O-N 2.91Š|
| 1147 | A | 66.2 | Low | 59.8 | Low | 61 Ų | 61 | 101.5 Ų | 101.5 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 129.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1145 R1149 | I1145-A1147 PolarHBondContact O-N 3.03Å; A1147-R1149 PolarHBondContact O-N 2.79Å |
| 1148 | K | 66.9 | Low | 61.3 | Low | 142 Ų | 142 | 100.3 Ų | 100.3 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 135.4 | 172 | -74.4 | -174.8 | 176.5 | -179.5 | 0 | 110.1 | V1130 E1146 H1150 S1151 | V1130-K1148 HydrophobicContact CG2-CD 4.17Å; E1146-K1148 PolarHBondContact O-N 2.91Å; K1148-H1150 PolarHBondContact O-N 2.98Å; K1148-S1151 WeakPolarHBondContact O-CB 3.41Å; K1148-S1151 PolarHBondContact O-N 2.96Å; K1148-S1151 PolarHBondContact O-OG 2.94Å |
| 1149 | R | 65.8 | Low | 63 | Low | 181 Ų | 181 | 93.2 Ų | 93.2 | 68% | 0.683 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131.9 | -179.1 | -156 | -175.5 | -70.6 | -155.3 | -2 | 110.2 | A1147 S1151 | A1147-R1149 PolarHBondContact O-N 2.79Å; R1149-S1151 PolarHBondContact O-N 2.81Å |
| 1150 | H | 69.2 | Low | 64.3 | Low | 68 Ų | 68 | 87.7 Ų | 87.7 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 10.5 | -175.7 | -38.8 | -70.1 | 0 | 0 | 0 | 116.5 | F1127 K1148 H1152 V1216 | F1127-H1150 HydrophobicContact CD2-CB 3.7Å; F1127-H1150 HydrophobicContact CE2-CB 4.04Å; K1148-H1150 PolarHBondContact O-N 2.98Å; H1150-H1152 VanDerWaalsContact C-N 3.3Å; H1150-H1152 PolarHBondContact O-N 2.81Å; H1150-V1216 WeakPolarHBondContact ND1-CG1 3.31Å |
| 1151 | S | 77.6 | Confident | 64.9 | Low | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.007 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -72.6 | -21.1 | 175.7 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | F1127 P1129 K1148 R1149 P1153 | F1127-S1151 VanDerWaalsContact O-CA 3.26Å; F1127-S1151 WeakPolarHBondContact O-CA 3.41Å; P1129-S1151 VanDerWaalsContact CD-O 3.31Å; P1129-S1151 WeakPolarHBondContact CD-O 3.44Å; P1129-S1151 VanDerWaalsContact CG-O 3.29Å; P1129-S1151 WeakPolarHBondContact CG-O 3.49Å; K1148-S1151 WeakPolarHBondContact O-CB 3.41Å; K1148-S1151 PolarHBondContact O-N 2.96Å; K1148-S1151 PolarHBondContact O-OG 2.94Å; R1149-S1151 PolarHBondContact O-N 2.81Å; S1151-P1153 VanDerWaalsContact C-CD 3.45Å; S1151-P1153 WeakPolarHBondContact O-CD 3.36Å |
| 1152 | H | 81.5 | Confident | 64.9 | Low | 45 Ų | 45 | 81.1 Ų | 81.1 | 21% | 0.208 | 42% | 0.418 | C | S | . | . | trans | -122.2 | 69.6 | 179.6 | -62.3 | 74.5 | 0 | 0 | 0 | 109.6 | H1150 W1154 L1155 | H1150-H1152 VanDerWaalsContact C-N 3.3Å; H1150-H1152 PolarHBondContact O-N 2.81Å; H1152-W1154 HydrophobicContact CB-CZ2 4.49Å; H1152-W1154 PolarHBondContact O-N 2.9Å; H1152-W1154 VanDerWaalsContact O-N 3.09Å; H1152-L1155 HydrophobicContact CB-CB 4.25Å; H1152-L1155 VanDerWaalsContact O-CB 3.32Å; H1152-L1155 WeakPolarHBondContact O-CB 3.44Å; H1152-L1155 PolarHBondContact O-N 2.7Å | ||
| 1153 | P | 80.7 | Confident | 64.9 | Low | 10 Ų | 10 | 82.6 Ų | 82.6 | 7% | 0.065 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -6.1 | -171.3 | 30.8 | -38.8 | 0 | 0 | 0 | 114.7 | P1125 S1151 V1216 I1217 Q1218 | P1125-P1153 VanDerWaalsContact CB-CD 3.5Å; P1125-P1153 HydrophobicContact CB-CG 3.62Å; S1151-P1153 VanDerWaalsContact C-CD 3.45Å; S1151-P1153 WeakPolarHBondContact O-CD 3.36Å; P1153-V1216 WeakPolarHBondContact CA-O 3.49Å; P1153-V1216 WeakPolarHBondContact CB-O 3.49Å; P1153-I1217 WeakPolarHBondContact O-CA 3.31Å; P1153-Q1218 CarbonylContact C-O 3.58Å; P1153-Q1218 HydrophobicContact CB-CB 4.13Å; P1153-Q1218 HydrophobicContact CB-CG 4.37Å; P1153-Q1218 HydrophobicContact CG-CB 4.01Å; P1153-Q1218 HydrophobicContact CG-CG 4.39Å; P1153-Q1218 PolarHBondContact O-N 3.48Å; P1153-Q1218 VanDerWaalsContact O-N 3.1Å |
| 1154 | W | 82.7 | Confident | 64.8 | Low | 6 Ų | 6 | 86.8 Ų | 86.8 | 2% | 0.023 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -15.1 | 171.2 | 45.2 | 84.4 | 0 | 0 | 0 | 113.4 | P1125 H1152 A1156 S1172 L1173 Q1218 V1220 V1245 F1252 | P1125-W1154 HydrophobicContact CB-CH2 4.18Å; P1125-W1154 HydrophobicContact CB-CZ3 3.9Å; P1125-W1154 HydrophobicContact CG-CH2 3.81Å; P1125-W1154 HydrophobicContact CG-CZ3 3.91Å; H1152-W1154 HydrophobicContact CB-CZ2 4.49Å; H1152-W1154 PolarHBondContact O-N 2.9Å; H1152-W1154 VanDerWaalsContact O-N 3.09Å; W1154-A1156 PolarHBondContact O-N 3.04Å; W1154-S1172 CarbonylContact O-C 3.54Å; W1154-S1172 VanDerWaalsContact O-CA 3.27Å; W1154-S1172 WeakPolarHBondContact O-CA 2.96Å; W1154-L1173 PolarHBondContact O-N 3.3Å; W1154-Q1218 WeakPolarHBondContact CA-O 3.42Å; W1154-Q1218 WeakPolarHBondContact CB-O 3.42Å; W1154-Q1218 PolarHBondContact N-O 3.35Å; W1154-V1220 HydrophobicContact CB-CB 4.05Å; W1154-V1220 HydrophobicContact CD2-CB 4.08Å; W1154-V1220 HydrophobicContact CD2-CG2 4.45Å; W1154-V1220 HydrophobicContact CE3-CB 4.36Å; W1154-V1220 HydrophobicContact CG-CB 3.93Å; W1154-V1245 HydrophobicContact CZ2-CG1 4.21Å; W1154-F1252 HydrophobicContact CH2-CB 3.67Å; W1154-F1252 HydrophobicContact CH2-CD1 4.09Å; W1154-F1252 AromaticContact CH2-CD2 3.54Å; W1154-F1252 HydrophobicContact CH2-CD2 3.54Å; W1154-F1252 HydrophobicContact CH2-CE2 4.16Å; W1154-F1252 AromaticContact CH2-CG 3.49Å; W1154-F1252 HydrophobicContact CH2-CG 3.49Å; W1154-F1252 VanDerWaalsContact CH2-CG 3.49Å; W1154-F1252 HydrophobicContact CZ2-CB 4.07Å; W1154-F1252 HydrophobicContact CZ2-CD1 4.11Å; W1154-F1252 HydrophobicContact CZ2-CD2 4.36Å; W1154-F1252 AromaticContact CZ2-CG 3.93Å; W1154-F1252 HydrophobicContact CZ2-CG 3.93Å; W1154-F1252 HydrophobicContact CZ3-CB 4.16Å; W1154-F1252 HydrophobicContact CZ3-CD2 4.29Å; W1154-F1252 HydrophobicContact CZ3-CG 4.36Å |
| 1155 | L | 80.5 | Confident | 64.2 | Low | 118 Ų | 118 | 88.5 Ų | 88.5 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122 | -170.9 | -170.4 | 70.6 | 0 | 0 | 0 | 111.6 | H1152 | H1152-L1155 HydrophobicContact CB-CB 4.25Å; H1152-L1155 VanDerWaalsContact O-CB 3.32Å; H1152-L1155 WeakPolarHBondContact O-CB 3.44Å; H1152-L1155 PolarHBondContact O-N 2.7Å |
| 1156 | A | 74.9 | Confident | 63.5 | Low | 25 Ų | 25 | 90.5 Ų | 90.5 | 21% | 0.207 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | W1154 G1171 V1185 | W1154-A1156 PolarHBondContact O-N 3.04Å; A1156-G1171 PolarHBondContact N-O 2.83Å; A1156-G1171 PolarHBondContact O-N 2.83Å; A1156-V1185 HydrophobicContact CB-CG1 3.85Å; A1156-V1185 HydrophobicContact CB-CG2 4.39Å |
| 1157 | L | 76.1 | Confident | 63.3 | Low | 122 Ų | 122 | 83.8 Ų | 83.8 | 64% | 0.639 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 117.7 | 173.2 | -173.4 | 69.2 | 0 | 0 | 0 | 109.8 | I1159 V1168 | L1157-I1159 HydrophobicContact CD2-CD1 4.07Å; L1157-I1159 HydrophobicContact CD2-CG1 4.04Å; L1157-I1159 HydrophobicContact CG-CG1 4.12Å; L1157-V1168 HydrophobicContact CD1-CG1 3.48Å; L1157-V1168 VanDerWaalsContact CD1-CG1 3.48Å; L1157-V1168 HydrophobicContact CG-CG1 4.29Å |
| 1158 | L | 64.5 | Low | 63 | Low | 29 Ų | 29 | 84.7 Ų | 84.7 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 103.3 | 176.9 | -59.3 | 177.6 | 0 | 0 | 0 | 109.5 | V1168 C1169 T1187 I1205 | L1158-V1168 WeakPolarHBondContact O-CA 3.43Å; L1158-C1169 HydrophobicContact CB-CB 4.12Å; L1158-C1169 WeakPolarHBondContact CB-O 3.41Å; L1158-C1169 HydrophobicContact CD1-CB 4.42Å; L1158-C1169 PolarHBondContact N-O 2.96Å; L1158-C1169 PolarHBondContact O-N 2.84Å; L1158-T1187 HydrophobicContact CD1-CG2 3.73Å; L1158-T1187 WeakPolarHBondContact CD1-OG1 3.29Å; L1158-I1205 HydrophobicContact CD1-CD1 3.67Å; L1158-I1205 HydrophobicContact CD2-CD1 3.71Å; L1158-I1205 HydrophobicContact CG-CD1 4.37Å |
| 1159 | I | 68 | Low | 62.8 | Low | 97 Ų | 97 | 79.1 Ų | 79.1 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 102 | 172.7 | -54.5 | 178.2 | 0 | 0 | 0 | 108.6 | L1157 K1161 | L1157-I1159 HydrophobicContact CD2-CD1 4.07Å; L1157-I1159 HydrophobicContact CD2-CG1 4.04Å; L1157-I1159 HydrophobicContact CG-CG1 4.12Å; I1159-K1161 HydrophobicContact CG2-CG 4.11Å; I1159-K1161 PolarHBondContact O-N 2.84Å |
| 1160 | I | 60.3 | Low | 63.1 | Low | 34 Ų | 34 | 71.6 Ų | 71.6 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 93 | 178.6 | -57.2 | 149 | 0 | 0 | 0 | 107.5 | D1162 F1166 A1167 C1191 | I1160-D1162 PolarHBondContact O-N 2.87Å; I1160-F1166 WeakPolarHBondContact O-CA 3.46Å; I1160-A1167 HydrophobicContact CB-CB 4.2Å; I1160-A1167 HydrophobicContact CD1-CB 4.16Å; I1160-A1167 PolarHBondContact N-O 3.23Å; I1160-A1167 PolarHBondContact O-N 2.88Å; I1160-C1191 WeakPolarHBondContact CD1-O 3.33Å |
| 1161 | K | 49.1 | Very low | 63.6 | Low | 185 Ų | 185 | 68.3 Ų | 68.3 | 80% | 0.804 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.9 | 175.4 | -67.2 | -176.7 | 177 | -179 | 0 | 110.5 | I1159 | I1159-K1161 HydrophobicContact CG2-CG 4.11Å; I1159-K1161 PolarHBondContact O-N 2.84Å |
| 1162 | D | 47.1 | Very low | 63.6 | Low | 46 Ų | 46 | 68.3 Ų | 68.3 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140 | 165.9 | -166.5 | -48.2 | 0 | 0 | 0 | 107.2 | I1160 E1164 S1165 R1460 | I1160-D1162 PolarHBondContact O-N 2.87Å; D1162-E1164 PolarHBondContact O-N 3.03Å; D1162-E1164 PolarHBondContact OD1-N 2.04Å; D1162-S1165 CarbonylContact C-O 3.51Å; D1162-S1165 WeakPolarHBondContact CA-O 3.35Å; D1162-S1165 VanDerWaalsContact CB-O 3.22Å; D1162-S1165 WeakPolarHBondContact CB-O 3.45Å; D1162-S1165 PolarHBondContact N-O 3Å; D1162-S1165 PolarHBondContact O-N 3.31Å; D1162-S1165 VanDerWaalsContact O-N 3.1Å; D1162-R1460 IonicContact OD2-CZ 3.97Å; D1162-R1460 IonicContact OD2-NE 2.73Å; D1162-R1460 PolarHBondContact OD2-NE 2.98Å; D1162-R1460 IonicContact OD2-NH2 2.61Å; D1162-R1460 PolarHBondContact OD2-NH2 2.82Å |
| 1163 | P | 38.2 | Very low | 63.6 | Low | 137 Ų | 137 | 66.6 Ų | 66.6 | 89% | 0.89 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.3 | 178.9 | 18 | -31.9 | 0 | 0 | 0 | 115.9 | ||
| 1164 | E | 40.2 | Very low | 63.6 | Low | 187 Ų | 187 | 66.4 Ų | 66.4 | 87% | 0.874 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -0.9 | 172.3 | -65 | -171 | 179.6 | 0 | 0 | 114.9 | D1162 | D1162-E1164 PolarHBondContact O-N 3.03Å; D1162-E1164 PolarHBondContact OD1-N 2.04Å |
| 1165 | S | 39.3 | Very low | 63.2 | Low | 66 Ų | 66 | 67.9 Ų | 67.9 | 46% | 0.462 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 167.3 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | D1162 | D1162-S1165 CarbonylContact C-O 3.51Å; D1162-S1165 WeakPolarHBondContact CA-O 3.35Å; D1162-S1165 VanDerWaalsContact CB-O 3.22Å; D1162-S1165 WeakPolarHBondContact CB-O 3.45Å; D1162-S1165 PolarHBondContact N-O 3Å; D1162-S1165 PolarHBondContact O-N 3.31Å; D1162-S1165 VanDerWaalsContact O-N 3.1Å |
| 1166 | F | 44.4 | Very low | 62.5 | Low | 157 Ų | 157 | 68.7 Ų | 68.7 | 69% | 0.689 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.8 | 166.4 | 61.6 | -85.7 | 0 | 0 | 0 | 110.3 | I1160 V1168 | I1160-F1166 WeakPolarHBondContact O-CA 3.46Å; F1166-V1168 HydrophobicContact CD2-CG2 3.9Å; F1166-V1168 HydrophobicContact CE2-CG2 4.29Å |
| 1167 | A | 56.6 | Low | 61.6 | Low | 42 Ų | 42 | 72.3 Ų | 72.3 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1160 | I1160-A1167 HydrophobicContact CB-CB 4.2Å; I1160-A1167 HydrophobicContact CD1-CB 4.16Å; I1160-A1167 PolarHBondContact N-O 3.23Å; I1160-A1167 PolarHBondContact O-N 2.88Å |
| 1168 | V | 58.9 | Low | 60.4 | Low | 81 Ų | 81 | 72.5 Ų | 72.5 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.4 | -177 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | L1157 L1158 F1166 | L1157-V1168 HydrophobicContact CD1-CG1 3.48Å; L1157-V1168 VanDerWaalsContact CD1-CG1 3.48Å; L1157-V1168 HydrophobicContact CG-CG1 4.29Å; L1158-V1168 WeakPolarHBondContact O-CA 3.43Å; F1166-V1168 HydrophobicContact CD2-CG2 3.9Å; F1166-V1168 HydrophobicContact CE2-CG2 4.29Å |
| 1169 | C | 63.9 | Low | 60 | Low | 24 Ų | 24 | 75.2 Ų | 75.2 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157 | 177.7 | -88.1 | 0 | 0 | 0 | 0 | 111.8 | L1158 C1191 | L1158-C1169 HydrophobicContact CB-CB 4.12Å; L1158-C1169 WeakPolarHBondContact CB-O 3.41Å; L1158-C1169 HydrophobicContact CD1-CB 4.42Å; L1158-C1169 PolarHBondContact N-O 2.96Å; L1158-C1169 PolarHBondContact O-N 2.84Å; C1169-C1191 HydrophobicContact CB-CB 3.66Å; C1169-C1191 WeakPolarHBondContact CB-SG 3.35Å; C1169-C1191 WeakPolarHBondContact SG-CB 3.41Å; C1169-C1191 CovalentContact SG-SG 2.03Å; C1169-C1191 PolarHBondContact SG-SG 2.77Å |
| 1170 | G | 71.6 | Confident | 59.8 | Low | 23 Ų | 23 | 73.9 Ų | 73.9 | 24% | 0.237 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 156.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1187 | G1170-T1187 PolarHBondContact O-OG1 3.19Å |
| 1171 | G | 78.6 | Confident | 60.1 | Low | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 174.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1156 L1186 | A1156-G1171 PolarHBondContact N-O 2.83Å; A1156-G1171 PolarHBondContact O-N 2.83Å; G1171-L1186 CarbonylContact C-O 3.42Å; G1171-L1186 WeakPolarHBondContact CA-O 3.05Å |
| 1172 | S | 78.8 | Confident | 60.9 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.9 | 172.6 | -86.3 | 0 | 0 | 0 | 0 | 113 | W1154 I1174 V1185 L1186 P1243 | W1154-S1172 CarbonylContact O-C 3.54Å; W1154-S1172 VanDerWaalsContact O-CA 3.27Å; W1154-S1172 WeakPolarHBondContact O-CA 2.96Å; S1172-I1174 PolarHBondContact O-N 2.8Å; S1172-V1185 CarbonylContact O-C 3.55Å; S1172-V1185 VanDerWaalsContact O-CA 3.31Å; S1172-V1185 WeakPolarHBondContact O-CA 3.06Å; S1172-L1186 PolarHBondContact N-O 2.85Å; S1172-L1186 PolarHBondContact O-N 2.88Å; S1172-P1243 VanDerWaalsContact OG-CG 3.24Å; S1172-P1243 WeakPolarHBondContact OG-CG 3.5Å |
| 1173 | L | 82 | Confident | 62 | Low | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 123 | 168.5 | -167 | 71.7 | 0 | 0 | 0 | 109 | W1154 F1184 V1185 L1207 Y1213 I1217 G1219 V1220 | W1154-L1173 PolarHBondContact O-N 3.3Å; L1173-F1184 WeakPolarHBondContact CA-O 3.43Å; L1173-V1185 HydrophobicContact CD1-CG2 4.09Å; L1173-L1207 HydrophobicContact CD1-CD1 4.14Å; L1173-Y1213 HydrophobicContact CD2-CD1 4.38Å; L1173-Y1213 HydrophobicContact CD2-CE1 3.86Å; L1173-I1217 HydrophobicContact CD2-CG2 3.56Å; L1173-G1219 CarbonylContact O-C 3.53Å; L1173-G1219 WeakPolarHBondContact O-CA 3.28Å; L1173-V1220 PolarHBondContact O-N 2.74Å |
| 1174 | I | 79.5 | Confident | 63.8 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 140.2 | -179.2 | 61.2 | 166.4 | 0 | 0 | 0 | 111.4 | S1172 W1176 S1182 F1184 L1186 L1204 V1220 L1222 I1254 | S1172-I1174 PolarHBondContact O-N 2.8Å; I1174-W1176 PolarHBondContact O-N 2.89Å; I1174-S1182 WeakPolarHBondContact O-CB 3.13Å; I1174-S1182 PolarHBondContact O-OG 3.13Å; I1174-F1184 HydrophobicContact CD1-CB 4.06Å; I1174-F1184 HydrophobicContact CG1-CB 3.64Å; I1174-F1184 PolarHBondContact N-O 2.91Å; I1174-L1186 HydrophobicContact CG2-CB 3.95Å; I1174-L1204 HydrophobicContact CD1-CD1 3.53Å; I1174-L1204 HydrophobicContact CG1-CD1 4.3Å; I1174-V1220 HydrophobicContact CG2-CG1 4.1Å; I1174-L1222 HydrophobicContact CD1-CD1 4.3Å; I1174-L1222 HydrophobicContact CD1-CD2 4.43Å; I1174-L1222 HydrophobicContact CG2-CD2 4.49Å; I1174-I1254 HydrophobicContact CG2-CG2 4.23Å |
| 1175 | H | 75 | Confident | 65.7 | Low | 37 Ų | 37 | 49.3 Ų | 49.3 | 17% | 0.171 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 111.5 | 171.6 | -175.1 | -125.2 | 0 | 0 | 0 | 110 | C1122 K1177 E1179 Y1213 V1220 | C1122-H1175 HydrophobicContact CB-CB 3.43Å; C1122-H1175 VanDerWaalsContact CB-CB 3.43Å; C1122-H1175 WeakPolarHBondContact CB-ND1 2.98Å; C1122-H1175 PolarHBondContact SG-ND1 3.28Å; C1122-H1175 VanDerWaalsContact SG-ND1 3.45Å; H1175-K1177 PolarHBondContact CD2-O 2.86Å; H1175-K1177 PolarHBondContact CE1-O 2.74Å; H1175-K1177 PolarHBondContact ND1-O 3.46Å; H1175-K1177 PolarHBondContact NE2-O 2.71Å; H1175-E1179 PolarHBondContact NE2-O 2.76Å; H1175-Y1213 VanDerWaalsContact CA-OH 3.24Å; H1175-Y1213 WeakPolarHBondContact CA-OH 3.2Å; H1175-Y1213 HydrophobicContact CB-CE2 4.5Å; H1175-Y1213 VanDerWaalsContact CB-OH 3.3Å; H1175-Y1213 WeakPolarHBondContact CB-OH 3.47Å; H1175-Y1213 AromaticContact CD2-CE2 3.41Å; H1175-Y1213 VanDerWaalsContact CD2-CE2 3.41Å; H1175-Y1213 WeakPolarHBondContact CD2-CE2 3.27Å; H1175-Y1213 AromaticContact CD2-CZ 3.77Å; H1175-Y1213 PolarHBondContact CD2-OH 3.13Å; H1175-V1220 PolarHBondContact N-O 3.05Å |
| 1176 | W | 64.7 | Low | 67.4 | Low | 136 Ų | 136 | 46.9 Ų | 46.9 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | trans | -104.9 | -11.6 | -171.6 | 170.8 | -105 | 0 | 0 | 0 | 114.1 | I1174 F1184 L1222 | I1174-W1176 PolarHBondContact O-N 2.89Å; W1176-F1184 HydrophobicContact CB-CD2 3.86Å; W1176-F1184 HydrophobicContact CB-CE2 4.35Å; W1176-F1184 AromaticContact CD1-CD2 3.87Å; W1176-F1184 AromaticContact CD1-CE2 3.46Å; W1176-F1184 VanDerWaalsContact CD1-CE2 3.46Å; W1176-F1184 AromaticContact CG-CD2 3.88Å; W1176-F1184 HydrophobicContact CG-CD2 3.88Å; W1176-F1184 AromaticContact CG-CE2 3.91Å; W1176-F1184 HydrophobicContact CG-CE2 3.91Å; W1176-F1184 AromaticContact NE1-CE2 3.99Å; W1176-L1222 HydrophobicContact CE3-CD1 4.18Å | ||
| 1177 | K | 55.8 | Low | 68.8 | Low | 101 Ų | 101 | 39.5 Ų | 39.5 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -146 | 172.3 | 179.2 | -77.2 | -175.1 | 174.5 | -176.5 | 0 | 110.2 | H1175 E1179 | H1175-K1177 PolarHBondContact CD2-O 2.86Å; H1175-K1177 PolarHBondContact CE1-O 2.74Å; H1175-K1177 PolarHBondContact ND1-O 3.46Å; H1175-K1177 PolarHBondContact NE2-O 2.71Å; K1177-E1179 HydrophobicContact CB-CB 4.33Å; K1177-E1179 HydrophobicContact CB-CG 4.36Å; K1177-E1179 HydrophobicContact CD-CG 4.36Å; K1177-E1179 VanDerWaalsContact CD-OE1 3.31Å; K1177-E1179 WeakPolarHBondContact CD-OE1 3.49Å; K1177-E1179 WeakPolarHBondContact CD-OE2 3.3Å; K1177-E1179 VanDerWaalsContact NZ-CD 3.32Å; K1177-E1179 IonicContact NZ-OE1 3.87Å; K1177-E1179 PolarHBondContact NZ-OE1 2.91Å; K1177-E1179 IonicContact NZ-OE2 3.24Å; K1177-E1179 PolarHBondContact NZ-OE2 2.85Å; K1177-E1179 PolarHBondContact O-N 2.88Å; K1177-E1179 VanDerWaalsContact O-N 3.08Å |
| 1178 | S | 52.9 | Low | 69.3 | Low | 125 Ų | 125 | 37.6 Ų | 37.6 | 87% | 0.874 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -80.4 | 35.2 | 172.3 | -166.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1179 | E | 55.4 | Low | 69.6 | Low | 87 Ų | 87 | 33.9 Ų | 33.9 | 41% | 0.407 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -114.9 | 145.5 | -175.9 | -71.5 | 163.9 | -161.6 | 0 | 0 | 108.8 | H1175 K1177 A1181 | H1175-E1179 PolarHBondContact NE2-O 2.76Å; K1177-E1179 HydrophobicContact CB-CB 4.33Å; K1177-E1179 HydrophobicContact CB-CG 4.36Å; K1177-E1179 HydrophobicContact CD-CG 4.36Å; K1177-E1179 VanDerWaalsContact CD-OE1 3.31Å; K1177-E1179 WeakPolarHBondContact CD-OE1 3.49Å; K1177-E1179 WeakPolarHBondContact CD-OE2 3.3Å; K1177-E1179 VanDerWaalsContact NZ-CD 3.32Å; K1177-E1179 IonicContact NZ-OE1 3.87Å; K1177-E1179 PolarHBondContact NZ-OE1 2.91Å; K1177-E1179 IonicContact NZ-OE2 3.24Å; K1177-E1179 PolarHBondContact NZ-OE2 2.85Å; K1177-E1179 PolarHBondContact O-N 2.88Å; K1177-E1179 VanDerWaalsContact O-N 3.08Å; E1179-A1181 PolarHBondContact O-N 3.31Å |
| 1180 | N | 64.2 | Low | 69.6 | Low | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -73.2 | 39.4 | -178.1 | -69.1 | -33.7 | 0 | 0 | 0 | 113.2 | C1118 A1120 Y1213 | C1118-N1180 PolarHBondContact O-ND2 2.91Å; C1118-N1180 VanDerWaalsContact O-ND2 3.12Å; C1118-N1180 PolarHBondContact O-OD1 3.36Å; A1120-N1180 PolarHBondContact N-OD1 2.82Å; N1180-Y1213 WeakPolarHBondContact O-CB 3.37Å; N1180-Y1213 PolarHBondContact O-N 3.03Å |
| 1181 | A | 65 | Low | 69.1 | Low | 20 Ų | 20 | 37.2 Ų | 37.2 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 165.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1179 E1210 V1211 | E1179-A1181 PolarHBondContact O-N 3.31Å; A1181-E1210 HydrophobicContact CB-CB 4.21Å; A1181-V1211 CarbonylContact C-O 3.57Å; A1181-V1211 VanDerWaalsContact CA-O 3.25Å; A1181-V1211 WeakPolarHBondContact CA-O 3.45Å |
| 1182 | S | 67 | Low | 68.3 | Low | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 137.8 | 167.6 | 177.6 | 0 | 0 | 0 | 0 | 112.7 | I1174 F1184 V1211 | I1174-S1182 WeakPolarHBondContact O-CB 3.13Å; I1174-S1182 PolarHBondContact O-OG 3.13Å; S1182-F1184 PolarHBondContact OG-N 3.17Å; S1182-F1184 PolarHBondContact OG-O 3.3Å; S1182-V1211 PolarHBondContact N-O 2.89Å; S1182-V1211 PolarHBondContact O-N 2.86Å |
| 1183 | A | 69.4 | Low | 67.1 | Low | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 17.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113 | K1206 L1207 E1210 | A1183-K1206 HydrophobicContact CB-CG 4.43Å; A1183-K1206 CarbonylContact O-C 3.6Å; A1183-K1206 VanDerWaalsContact O-CA 3.28Å; A1183-K1206 WeakPolarHBondContact O-CA 3.17Å; A1183-L1207 PolarHBondContact O-N 3.49Å; A1183-E1210 HydrophobicContact CB-CB 4.46Å; A1183-E1210 HydrophobicContact CB-CG 3.58Å |
| 1184 | F | 77.3 | Confident | 65.5 | Low | 39 Ų | 39 | 49.5 Ų | 49.5 | 17% | 0.171 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 124.1 | -168.1 | -65 | -72.4 | 0 | 0 | 0 | 113.9 | L1173 I1174 W1176 S1182 L1204 I1205 K1206 | L1173-F1184 WeakPolarHBondContact CA-O 3.43Å; I1174-F1184 HydrophobicContact CD1-CB 4.06Å; I1174-F1184 HydrophobicContact CG1-CB 3.64Å; I1174-F1184 PolarHBondContact N-O 2.91Å; W1176-F1184 HydrophobicContact CB-CD2 3.86Å; W1176-F1184 HydrophobicContact CB-CE2 4.35Å; W1176-F1184 AromaticContact CD1-CD2 3.87Å; W1176-F1184 AromaticContact CD1-CE2 3.46Å; W1176-F1184 VanDerWaalsContact CD1-CE2 3.46Å; W1176-F1184 AromaticContact CG-CD2 3.88Å; W1176-F1184 HydrophobicContact CG-CD2 3.88Å; W1176-F1184 AromaticContact CG-CE2 3.91Å; W1176-F1184 HydrophobicContact CG-CE2 3.91Å; W1176-F1184 AromaticContact NE1-CE2 3.99Å; S1182-F1184 PolarHBondContact OG-N 3.17Å; S1182-F1184 PolarHBondContact OG-O 3.3Å; F1184-L1204 HydrophobicContact CB-CD1 4.21Å; F1184-L1204 HydrophobicContact CB-CG 4.48Å; F1184-L1204 HydrophobicContact CD1-CD2 3.61Å; F1184-L1204 HydrophobicContact CD1-CG 3.99Å; F1184-L1204 HydrophobicContact CE1-CD2 4.11Å; F1184-L1204 HydrophobicContact CG-CD2 4.3Å; F1184-I1205 WeakPolarHBondContact CA-O 3.24Å; F1184-K1206 HydrophobicContact CD1-CB 4.23Å; F1184-K1206 HydrophobicContact CD1-CG 4.29Å; F1184-K1206 HydrophobicContact CE1-CB 3.97Å; F1184-K1206 HydrophobicContact CE1-CD 4.27Å; F1184-K1206 HydrophobicContact CE1-CG 3.81Å; F1184-K1206 HydrophobicContact CZ-CG 4.34Å |
| 1185 | V | 79.4 | Confident | 63.9 | Low | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.6 | 173.8 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | A1156 S1172 L1173 I1205 L1207 | A1156-V1185 HydrophobicContact CB-CG1 3.85Å; A1156-V1185 HydrophobicContact CB-CG2 4.39Å; S1172-V1185 CarbonylContact O-C 3.55Å; S1172-V1185 VanDerWaalsContact O-CA 3.31Å; S1172-V1185 WeakPolarHBondContact O-CA 3.06Å; L1173-V1185 HydrophobicContact CD1-CG2 4.09Å; V1185-I1205 HydrophobicContact CB-CB 4.36Å; V1185-I1205 PolarHBondContact N-O 3.38Å; V1185-I1205 PolarHBondContact O-N 3Å; V1185-L1207 HydrophobicContact CG2-CD1 4.07Å; V1185-L1207 HydrophobicContact CG2-CD2 4.08Å; V1185-L1207 HydrophobicContact CG2-CG 4.2Å |
| 1186 | L | 75.3 | Confident | 62.3 | Low | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138 | 173.7 | -158.1 | 76.7 | 0 | 0 | 0 | 110.4 | G1171 S1172 I1174 I1202 L1204 I1254 V1257 | G1171-L1186 CarbonylContact C-O 3.42Å; G1171-L1186 WeakPolarHBondContact CA-O 3.05Å; S1172-L1186 PolarHBondContact N-O 2.85Å; S1172-L1186 PolarHBondContact O-N 2.88Å; I1174-L1186 HydrophobicContact CG2-CB 3.95Å; L1186-I1202 HydrophobicContact CD1-CG2 3.57Å; L1186-I1202 HydrophobicContact CD2-CG2 4.23Å; L1186-I1202 HydrophobicContact CG-CG2 3.86Å; L1186-L1204 HydrophobicContact CB-CD1 4.4Å; L1186-L1204 HydrophobicContact CD1-CD1 3.59Å; L1186-I1254 HydrophobicContact CB-CD1 4.39Å; L1186-I1254 HydrophobicContact CD2-CD1 3.61Å; L1186-I1254 HydrophobicContact CD2-CG1 4.29Å; L1186-V1257 HydrophobicContact CD2-CG2 4.3Å |
| 1187 | T | 73.3 | Confident | 61.3 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 173.2 | 177.8 | -172.6 | 0 | 0 | 0 | 0 | 111 | L1158 G1170 L1192 A1203 I1205 | L1158-T1187 HydrophobicContact CD1-CG2 3.73Å; L1158-T1187 WeakPolarHBondContact CD1-OG1 3.29Å; G1170-T1187 PolarHBondContact O-OG1 3.19Å; T1187-L1192 HydrophobicContact CG2-CD1 4.33Å; T1187-A1203 HydrophobicContact CG2-CB 4.19Å; T1187-A1203 PolarHBondContact N-O 2.82Å; T1187-A1203 PolarHBondContact O-N 2.93Å; T1187-I1205 HydrophobicContact CG2-CD1 3.9Å; T1187-I1205 HydrophobicContact CG2-CG1 4.28Å |
| 1188 | A | 68.1 | Low | 60.5 | Low | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 135.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1190 C1191 D1201 G1241 V1257 | A1188-H1190 VanDerWaalsContact C-N 3.25Å; A1188-H1190 PolarHBondContact O-N 2.61Å; A1188-C1191 VanDerWaalsContact O-CB 3.27Å; A1188-C1191 WeakPolarHBondContact O-CB 3.5Å; A1188-C1191 PolarHBondContact O-N 2.8Å; A1188-D1201 CarbonylContact C-O 3.54Å; A1188-D1201 VanDerWaalsContact CA-O 3.28Å; A1188-D1201 WeakPolarHBondContact CA-O 3.11Å; A1188-G1241 WeakPolarHBondContact CB-O 3.31Å; A1188-V1257 HydrophobicContact CB-CG1 3.85Å |
| 1189 | A | 64.4 | Low | 60 | Low | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -64.2 | -29.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1191 L1192 I1193 D1200 D1201 A1203 | A1189-C1191 PolarHBondContact O-N 3.4Å; A1189-L1192 PolarHBondContact O-N 2.77Å; A1189-I1193 HydrophobicContact CB-CD1 4.37Å; A1189-I1193 WeakPolarHBondContact O-CB 3.1Å; A1189-I1193 WeakPolarHBondContact O-CG1 3.2Å; A1189-I1193 PolarHBondContact O-N 2.99Å; A1189-D1200 HydrophobicContact CB-CB 4.5Å; A1189-D1200 VanDerWaalsContact CB-O 3.26Å; A1189-D1200 WeakPolarHBondContact CB-O 3.44Å; A1189-D1201 PolarHBondContact N-O 3.39Å; A1189-A1203 HydrophobicContact CB-CB 4.04Å |
| 1190 | H | 63.3 | Low | 59.4 | Low | 105 Ų | 105 | 64.9 Ų | 64.9 | 49% | 0.486 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -65.4 | -16.9 | 174.6 | 81.4 | -106.9 | 0 | 0 | 0 | 113.7 | A1188 L1192 I1193 | A1188-H1190 VanDerWaalsContact C-N 3.25Å; A1188-H1190 PolarHBondContact O-N 2.61Å; H1190-L1192 PolarHBondContact O-N 2.69Å; H1190-I1193 VanDerWaalsContact O-O 3.1Å |
| 1191 | C | 61.3 | Low | 59 | Low | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -68.7 | -25.2 | 169.9 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | I1160 C1169 A1188 A1189 | I1160-C1191 WeakPolarHBondContact CD1-O 3.33Å; C1169-C1191 HydrophobicContact CB-CB 3.66Å; C1169-C1191 WeakPolarHBondContact CB-SG 3.35Å; C1169-C1191 WeakPolarHBondContact SG-CB 3.41Å; C1169-C1191 CovalentContact SG-SG 2.03Å; C1169-C1191 PolarHBondContact SG-SG 2.77Å; A1188-C1191 VanDerWaalsContact O-CB 3.27Å; A1188-C1191 WeakPolarHBondContact O-CB 3.5Å; A1188-C1191 PolarHBondContact O-N 2.8Å; A1189-C1191 PolarHBondContact O-N 3.4Å |
| 1192 | L | 61.8 | Low | 58.9 | Low | 87 Ų | 87 | 65.9 Ų | 65.9 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -15.2 | -176.8 | -54.2 | -179.2 | 0 | 0 | 0 | 113.1 | T1187 A1189 H1190 A1203 I1205 | T1187-L1192 HydrophobicContact CG2-CD1 4.33Å; A1189-L1192 PolarHBondContact O-N 2.77Å; H1190-L1192 PolarHBondContact O-N 2.69Å; L1192-A1203 HydrophobicContact CD1-CB 3.78Å; L1192-I1205 HydrophobicContact CD1-CD1 4.15Å; L1192-I1205 HydrophobicContact CD1-CG1 3.92Å; L1192-I1205 HydrophobicContact CD2-CD1 4.34Å |
| 1193 | I | 54.7 | Low | 58.8 | Low | 84 Ų | 84 | 66.6 Ų | 66.6 | 43% | 0.431 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -130 | 140.8 | -169.4 | -53.5 | 177.6 | 0 | 0 | 0 | 110.7 | A1189 H1190 S1195 | A1189-I1193 HydrophobicContact CB-CD1 4.37Å; A1189-I1193 WeakPolarHBondContact O-CB 3.1Å; A1189-I1193 WeakPolarHBondContact O-CG1 3.2Å; A1189-I1193 PolarHBondContact O-N 2.99Å; H1190-I1193 VanDerWaalsContact O-O 3.1Å; I1193-S1195 PolarHBondContact O-N 2.64Å |
| 1194 | D | 47.6 | Very low | 58.9 | Low | 98 Ų | 98 | 70.6 Ų | 70.6 | 52% | 0.524 | 37% | 0.366 | S | S | . | . | trans | -50.4 | 122.6 | 172.4 | -179 | -27 | 0 | 0 | 0 | 112.1 | T1196 K1197 | D1194-T1196 VanDerWaalsContact CG-OG1 3.25Å; D1194-T1196 PolarHBondContact O-N 2.94Å; D1194-T1196 WeakPolarHBondContact OD1-CB 3.34Å; D1194-T1196 WeakPolarHBondContact OD1-CG2 3.28Å; D1194-T1196 PolarHBondContact OD1-N 2.88Å; D1194-T1196 PolarHBondContact OD1-OG1 3.33Å; D1194-K1197 PolarHBondContact O-N 2.91Å | ||
| 1195 | S | 45.1 | Very low | 58.6 | Low | 107 Ų | 107 | 70.7 Ų | 70.7 | 75% | 0.748 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -4.2 | -173.9 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | I1193 K1197 | I1193-S1195 PolarHBondContact O-N 2.64Å; S1195-K1197 PolarHBondContact O-N 2.93Å |
| 1196 | T | 43.2 | Very low | 58.5 | Low | 110 Ų | 110 | 77.7 Ų | 77.7 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 2.4 | 172.3 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | D1194 | D1194-T1196 VanDerWaalsContact CG-OG1 3.25Å; D1194-T1196 PolarHBondContact O-N 2.94Å; D1194-T1196 WeakPolarHBondContact OD1-CB 3.34Å; D1194-T1196 WeakPolarHBondContact OD1-CG2 3.28Å; D1194-T1196 PolarHBondContact OD1-N 2.88Å; D1194-T1196 PolarHBondContact OD1-OG1 3.33Å |
| 1197 | K | 43.6 | Very low | 58.1 | Low | 129 Ų | 129 | 79.2 Ų | 79.2 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | trans | -123.4 | 120.3 | -179.4 | -65.5 | 176.5 | -173.6 | 166.7 | 0 | 111.7 | D1194 S1195 | D1194-K1197 PolarHBondContact O-N 2.91Å; S1195-K1197 PolarHBondContact O-N 2.93Å | ||
| 1198 | R | 37.6 | Very low | 57.7 | Low | 247 Ų | 247 | 86.4 Ų | 86.4 | 93% | 0.932 | 44% | 0.444 | S | S | * | . | trans | -106.4 | 29.6 | -152.9 | -134.4 | -170 | -150.5 | -172.6 | 7.7 | 115.2 | ||||
| 1199 | T | 43.2 | Very low | 57.6 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 71% | 0.706 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -133.7 | -5.2 | -162.3 | 57.6 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1200 | D | 43.5 | Very low | 57.9 | Low | 105 Ų | 105 | 101 Ų | 101 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | trans | -138.9 | 119.8 | 177 | -57.2 | -79.3 | 0 | 0 | 0 | 107.7 | A1189 | A1189-D1200 HydrophobicContact CB-CB 4.5Å; A1189-D1200 VanDerWaalsContact CB-O 3.26Å; A1189-D1200 WeakPolarHBondContact CB-O 3.44Å | ||
| 1201 | D | 56.2 | Low | 58.2 | Low | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | trans | -101 | -23.2 | -174.2 | -70.1 | -29.8 | 0 | 0 | 0 | 113.7 | A1188 A1189 T1272 | A1188-D1201 CarbonylContact C-O 3.54Å; A1188-D1201 VanDerWaalsContact CA-O 3.28Å; A1188-D1201 WeakPolarHBondContact CA-O 3.11Å; A1189-D1201 PolarHBondContact N-O 3.39Å; D1201-T1272 HydrophobicContact CB-CG2 4.18Å; D1201-T1272 PolarHBondContact OD2-OG1 2.97Å | ||
| 1202 | I | 62.7 | Low | 58.8 | Low | 40 Ų | 40 | 100.8 Ų | 100.8 | 21% | 0.205 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 134.9 | -173.5 | -54.4 | -179.5 | 0 | 0 | 0 | 110 | L1186 V1257 T1272 | L1186-I1202 HydrophobicContact CD1-CG2 3.57Å; L1186-I1202 HydrophobicContact CD2-CG2 4.23Å; L1186-I1202 HydrophobicContact CG-CG2 3.86Å; I1202-V1257 HydrophobicContact CD1-CG2 4.24Å; I1202-V1257 HydrophobicContact CG1-CB 4.13Å; I1202-V1257 HydrophobicContact CG1-CG2 3.9Å; I1202-V1257 HydrophobicContact CG2-CG2 4.15Å; I1202-T1272 HydrophobicContact CD1-CG2 4.1Å; I1202-T1272 HydrophobicContact CG1-CG2 4.36Å |
| 1203 | A | 64.9 | Low | 59.1 | Low | 19 Ų | 19 | 97.6 Ų | 97.6 | 16% | 0.157 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1187 A1189 L1192 | T1187-A1203 HydrophobicContact CG2-CB 4.19Å; T1187-A1203 PolarHBondContact N-O 2.82Å; T1187-A1203 PolarHBondContact O-N 2.93Å; A1189-A1203 HydrophobicContact CB-CB 4.04Å; L1192-A1203 HydrophobicContact CD1-CB 3.78Å |
| 1204 | L | 71.2 | Confident | 59.9 | Low | 88 Ų | 88 | 97.5 Ų | 97.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.4 | 174.4 | -166.4 | 75.2 | 0 | 0 | 0 | 109.4 | I1174 F1184 L1186 | I1174-L1204 HydrophobicContact CD1-CD1 3.53Å; I1174-L1204 HydrophobicContact CG1-CD1 4.3Å; F1184-L1204 HydrophobicContact CB-CD1 4.21Å; F1184-L1204 HydrophobicContact CB-CG 4.48Å; F1184-L1204 HydrophobicContact CD1-CD2 3.61Å; F1184-L1204 HydrophobicContact CD1-CG 3.99Å; F1184-L1204 HydrophobicContact CE1-CD2 4.11Å; F1184-L1204 HydrophobicContact CG-CD2 4.3Å; L1186-L1204 HydrophobicContact CB-CD1 4.4Å; L1186-L1204 HydrophobicContact CD1-CD1 3.59Å |
| 1205 | I | 69.7 | Low | 60.8 | Low | 42 Ų | 42 | 96.3 Ų | 96.3 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.2 | 175.4 | -60.6 | 170.8 | 0 | 0 | 0 | 107.5 | L1158 F1184 V1185 T1187 L1192 | L1158-I1205 HydrophobicContact CD1-CD1 3.67Å; L1158-I1205 HydrophobicContact CD2-CD1 3.71Å; L1158-I1205 HydrophobicContact CG-CD1 4.37Å; F1184-I1205 WeakPolarHBondContact CA-O 3.24Å; V1185-I1205 HydrophobicContact CB-CB 4.36Å; V1185-I1205 PolarHBondContact N-O 3.38Å; V1185-I1205 PolarHBondContact O-N 3Å; T1187-I1205 HydrophobicContact CG2-CD1 3.9Å; T1187-I1205 HydrophobicContact CG2-CG1 4.28Å; L1192-I1205 HydrophobicContact CD1-CD1 4.15Å; L1192-I1205 HydrophobicContact CD1-CG1 3.92Å; L1192-I1205 HydrophobicContact CD2-CD1 4.34Å |
| 1206 | K | 77.3 | Confident | 62 | Low | 154 Ų | 154 | 94.3 Ų | 94.3 | 67% | 0.67 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.6 | 165.3 | -169.9 | -175.7 | 176 | -176.1 | 0 | 108.8 | A1183 F1184 | A1183-K1206 HydrophobicContact CB-CG 4.43Å; A1183-K1206 CarbonylContact O-C 3.6Å; A1183-K1206 VanDerWaalsContact O-CA 3.28Å; A1183-K1206 WeakPolarHBondContact O-CA 3.17Å; F1184-K1206 HydrophobicContact CD1-CB 4.23Å; F1184-K1206 HydrophobicContact CD1-CG 4.29Å; F1184-K1206 HydrophobicContact CE1-CB 3.97Å; F1184-K1206 HydrophobicContact CE1-CD 4.27Å; F1184-K1206 HydrophobicContact CE1-CG 3.81Å; F1184-K1206 HydrophobicContact CZ-CG 4.34Å |
| 1207 | L | 67.3 | Low | 63.5 | Low | 47 Ų | 47 | 92.1 Ų | 92.1 | 25% | 0.246 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 150 | 170.9 | -57.8 | 178.1 | 0 | 0 | 0 | 109.9 | L1173 A1183 V1185 R1209 V1211 | L1173-L1207 HydrophobicContact CD1-CD1 4.14Å; A1183-L1207 PolarHBondContact O-N 3.49Å; V1185-L1207 HydrophobicContact CG2-CD1 4.07Å; V1185-L1207 HydrophobicContact CG2-CD2 4.08Å; V1185-L1207 HydrophobicContact CG2-CG 4.2Å; L1207-R1209 WeakPolarHBondContact CB-O 3.43Å; L1207-R1209 PolarHBondContact O-N 2.96Å; L1207-V1211 HydrophobicContact CD1-CG2 3.51Å |
| 1208 | D | 65.6 | Low | 65.1 | Low | 152 Ų | 152 | 86.7 Ų | 86.7 | 81% | 0.813 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -25.2 | 178.1 | 62.2 | -47.8 | 0 | 0 | 0 | 112.7 | ||
| 1209 | R | 66.5 | Low | 67.1 | Low | 196 Ų | 196 | 75 Ų | 75 | 74% | 0.74 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 150 | 173.8 | -59.3 | -177.4 | -176.9 | -163.7 | -2.3 | 110.5 | L1207 V1211 | L1207-R1209 WeakPolarHBondContact CB-O 3.43Å; L1207-R1209 PolarHBondContact O-N 2.96Å; R1209-V1211 PolarHBondContact O-N 3.35Å |
| 1210 | E | 70.2 | Confident | 69 | Low | 117 Ų | 117 | 69.5 Ų | 69.5 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 128.3 | 168.9 | -79.5 | 177.7 | 175.3 | 0 | 0 | 110 | A1181 A1183 | A1181-E1210 HydrophobicContact CB-CB 4.21Å; A1183-E1210 HydrophobicContact CB-CB 4.46Å; A1183-E1210 HydrophobicContact CB-CG 3.58Å |
| 1211 | V | 68.6 | Low | 70.9 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 108 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | A1181 S1182 L1207 R1209 I1217 | A1181-V1211 CarbonylContact C-O 3.57Å; A1181-V1211 VanDerWaalsContact CA-O 3.25Å; A1181-V1211 WeakPolarHBondContact CA-O 3.45Å; S1182-V1211 PolarHBondContact N-O 2.89Å; S1182-V1211 PolarHBondContact O-N 2.86Å; L1207-V1211 HydrophobicContact CD1-CG2 3.51Å; R1209-V1211 PolarHBondContact O-N 3.35Å; V1211-I1217 HydrophobicContact CG1-CD1 4.18Å; V1211-I1217 HydrophobicContact CG1-CG2 3.76Å |
| 1212 | A | 74 | Confident | 71.7 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 139.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1213 | Y | 69.5 | Low | 72.1 | Confident | 21 Ų | 21 | 63.3 Ų | 63.3 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | trans | -78.7 | 145.4 | -179.9 | -66.1 | -7.5 | 0 | 0 | 0 | 111.9 | A1120 L1173 H1175 N1180 I1217 G1219 | A1120-Y1213 HydrophobicContact CB-CD2 3.97Å; A1120-Y1213 HydrophobicContact CB-CG 4.37Å; L1173-Y1213 HydrophobicContact CD2-CD1 4.38Å; L1173-Y1213 HydrophobicContact CD2-CE1 3.86Å; H1175-Y1213 VanDerWaalsContact CA-OH 3.24Å; H1175-Y1213 WeakPolarHBondContact CA-OH 3.2Å; H1175-Y1213 HydrophobicContact CB-CE2 4.5Å; H1175-Y1213 VanDerWaalsContact CB-OH 3.3Å; H1175-Y1213 WeakPolarHBondContact CB-OH 3.47Å; H1175-Y1213 AromaticContact CD2-CE2 3.41Å; H1175-Y1213 VanDerWaalsContact CD2-CE2 3.41Å; H1175-Y1213 WeakPolarHBondContact CD2-CE2 3.27Å; H1175-Y1213 AromaticContact CD2-CZ 3.77Å; H1175-Y1213 PolarHBondContact CD2-OH 3.13Å; N1180-Y1213 WeakPolarHBondContact O-CB 3.37Å; N1180-Y1213 PolarHBondContact O-N 3.03Å; Y1213-I1217 CarbonylContact C-O 3.54Å; Y1213-I1217 VanDerWaalsContact CA-O 3.27Å; Y1213-I1217 WeakPolarHBondContact CA-O 3.47Å; Y1213-G1219 VanDerWaalsContact CE1-N 3.34Å; Y1213-G1219 WeakPolarHBondContact OH-CA 3.28Å; Y1213-G1219 PolarHBondContact OH-N 2.63Å | ||
| 1214 | N | 70.9 | Confident | 72.2 | Confident | 81 Ų | 81 | 65.6 Ų | 65.6 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | trans | -147.9 | -162.7 | 174.5 | 58.6 | 50.8 | 0 | 0 | 0 | 109.5 | V1216 I1217 Q1218 | N1214-V1216 VanDerWaalsContact C-N 3.26Å; N1214-V1216 PolarHBondContact O-N 2.91Å; N1214-V1216 WeakPolarHBondContact OD1-CA 3.46Å; N1214-V1216 WeakPolarHBondContact OD1-CB 3.07Å; N1214-V1216 PolarHBondContact OD1-N 2.86Å; N1214-I1217 PolarHBondContact N-O 3Å; N1214-I1217 PolarHBondContact OD1-N 3.05Å; N1214-Q1218 WeakPolarHBondContact O-CG 3.5Å; N1214-Q1218 PolarHBondContact O-NE2 2.84Å; N1214-Q1218 VanDerWaalsContact O-NE2 3.1Å | ||
| 1215 | V | 66.9 | Low | 71.4 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -68 | -24.8 | 177.6 | 147.3 | 0 | 0 | 0 | 0 | 113.2 | F1126 | F1126-V1215 HydrophobicContact CB-CG1 4.37Å; F1126-V1215 HydrophobicContact CB-CG2 4.48Å; F1126-V1215 HydrophobicContact CD1-CG1 4.48Å; F1126-V1215 HydrophobicContact CD2-CG2 4.18Å; F1126-V1215 HydrophobicContact CG-CG1 4.37Å; F1126-V1215 HydrophobicContact CG-CG2 4.33Å |
| 1216 | V | 70.1 | Confident | 70.7 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -100.3 | -32.9 | -173.9 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | H1150 P1153 N1214 | H1150-V1216 WeakPolarHBondContact ND1-CG1 3.31Å; P1153-V1216 WeakPolarHBondContact CA-O 3.49Å; P1153-V1216 WeakPolarHBondContact CB-O 3.49Å; N1214-V1216 VanDerWaalsContact C-N 3.26Å; N1214-V1216 PolarHBondContact O-N 2.91Å; N1214-V1216 WeakPolarHBondContact OD1-CA 3.46Å; N1214-V1216 WeakPolarHBondContact OD1-CB 3.07Å; N1214-V1216 PolarHBondContact OD1-N 2.86Å |
| 1217 | I | 73.7 | Confident | 69.8 | Low | 63 Ų | 63 | 66 Ų | 66 | 32% | 0.323 | 36% | 0.363 | S | S | . | . | trans | -121.1 | 118.8 | -177.2 | -53.6 | 175.4 | 0 | 0 | 0 | 109.1 | P1153 L1173 V1211 Y1213 N1214 | P1153-I1217 WeakPolarHBondContact O-CA 3.31Å; L1173-I1217 HydrophobicContact CD2-CG2 3.56Å; V1211-I1217 HydrophobicContact CG1-CD1 4.18Å; V1211-I1217 HydrophobicContact CG1-CG2 3.76Å; Y1213-I1217 CarbonylContact C-O 3.54Å; Y1213-I1217 VanDerWaalsContact CA-O 3.27Å; Y1213-I1217 WeakPolarHBondContact CA-O 3.47Å; N1214-I1217 PolarHBondContact N-O 3Å; N1214-I1217 PolarHBondContact OD1-N 3.05Å | ||
| 1218 | Q | 77.6 | Confident | 69.2 | Low | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | trans | -149.5 | 138.1 | 179 | -61.7 | -177.3 | -15 | 0 | 0 | 109.6 | K1124 P1153 W1154 N1214 | K1124-Q1218 PolarHBondContact O-OE1 3.35Å; P1153-Q1218 CarbonylContact C-O 3.58Å; P1153-Q1218 HydrophobicContact CB-CB 4.13Å; P1153-Q1218 HydrophobicContact CB-CG 4.37Å; P1153-Q1218 HydrophobicContact CG-CB 4.01Å; P1153-Q1218 HydrophobicContact CG-CG 4.39Å; P1153-Q1218 PolarHBondContact O-N 3.48Å; P1153-Q1218 VanDerWaalsContact O-N 3.1Å; W1154-Q1218 WeakPolarHBondContact CA-O 3.42Å; W1154-Q1218 WeakPolarHBondContact CB-O 3.42Å; W1154-Q1218 PolarHBondContact N-O 3.35Å; N1214-Q1218 WeakPolarHBondContact O-CG 3.5Å; N1214-Q1218 PolarHBondContact O-NE2 2.84Å; N1214-Q1218 VanDerWaalsContact O-NE2 3.1Å | ||
| 1219 | G | 79.8 | Confident | 68.8 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 145 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1122 G1123 L1173 Y1213 | C1122-G1219 VanDerWaalsContact CA-O 3.31Å; C1122-G1219 WeakPolarHBondContact CA-O 3.4Å; C1122-G1219 WeakPolarHBondContact CB-O 3.35Å; G1123-G1219 PolarHBondContact N-O 3.4Å; L1173-G1219 CarbonylContact O-C 3.53Å; L1173-G1219 WeakPolarHBondContact O-CA 3.28Å; Y1213-G1219 VanDerWaalsContact CE1-N 3.34Å; Y1213-G1219 WeakPolarHBondContact OH-CA 3.28Å; Y1213-G1219 PolarHBondContact OH-N 2.63Å |
| 1220 | V | 83.7 | Confident | 68.4 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 149.2 | 167.3 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | W1154 L1173 I1174 H1175 V1245 F1252 I1254 | W1154-V1220 HydrophobicContact CB-CB 4.05Å; W1154-V1220 HydrophobicContact CD2-CB 4.08Å; W1154-V1220 HydrophobicContact CD2-CG2 4.45Å; W1154-V1220 HydrophobicContact CE3-CB 4.36Å; W1154-V1220 HydrophobicContact CG-CB 3.93Å; L1173-V1220 PolarHBondContact O-N 2.74Å; I1174-V1220 HydrophobicContact CG2-CG1 4.1Å; H1175-V1220 PolarHBondContact N-O 3.05Å; V1220-V1245 HydrophobicContact CG2-CG1 3.82Å; V1220-V1245 HydrophobicContact CG2-CG2 4.49Å; V1220-F1252 HydrophobicContact CG2-CB 4.25Å; V1220-F1252 VanDerWaalsContact CG2-O 3.29Å; V1220-F1252 WeakPolarHBondContact CG2-O 3.35Å; V1220-I1254 HydrophobicContact CG1-CB 3.75Å; V1220-I1254 HydrophobicContact CG1-CD1 4.23Å; V1220-I1254 HydrophobicContact CG1-CG2 3.69Å; V1220-I1254 HydrophobicContact CG2-CB 4.21Å |
| 1221 | C | 81.6 | Confident | 68 | Low | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 142.4 | 176.6 | -61 | 0 | 0 | 0 | 0 | 111.2 | C1122 F1252 F1253 I1254 | C1122-C1221 HydrophobicContact CB-CB 4.08Å; C1122-C1221 WeakPolarHBondContact CB-SG 3.13Å; C1122-C1221 PolarHBondContact O-SG 3.22Å; C1122-C1221 VanDerWaalsContact SG-CA 3.5Å; C1122-C1221 WeakPolarHBondContact SG-CB 3.43Å; C1122-C1221 CovalentContact SG-SG 2.05Å; C1122-C1221 PolarHBondContact SG-SG 2.82Å; C1221-F1252 PolarHBondContact N-O 2.85Å; C1221-F1253 HydrophobicContact CB-CD1 3.5Å; C1221-F1253 HydrophobicContact CB-CE1 3.6Å; C1221-F1253 HydrophobicContact CB-CG 4.18Å; C1221-F1253 HydrophobicContact CB-CZ 4.35Å; C1221-F1253 CarbonylContact O-C 3.56Å; C1221-F1253 VanDerWaalsContact O-CA 3.28Å; C1221-F1253 WeakPolarHBondContact O-CA 3.44Å; C1221-I1254 PolarHBondContact O-N 2.83Å |
| 1222 | L | 74.5 | Confident | 67.3 | Low | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 139.7 | 162.2 | -68.9 | 168.7 | 0 | 0 | 0 | 109.5 | I1174 W1176 I1254 | I1174-L1222 HydrophobicContact CD1-CD1 4.3Å; I1174-L1222 HydrophobicContact CD1-CD2 4.43Å; I1174-L1222 HydrophobicContact CG2-CD2 4.49Å; W1176-L1222 HydrophobicContact CE3-CD1 4.18Å; L1222-I1254 HydrophobicContact CD2-CG2 3.79Å |
| 1223 | P | 70.2 | Confident | 66.7 | Low | 15 Ų | 15 | 60.5 Ų | 60.5 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 156.2 | 168.7 | 29.3 | -34.8 | 0 | 0 | 0 | 110.4 | E1227 I1254 Y1255 | P1223-E1227 HydrophobicContact CB-CB 4.49Å; P1223-I1254 WeakPolarHBondContact CD-O 3.27Å; P1223-Y1255 HydrophobicContact CB-CD1 4.11Å; P1223-Y1255 HydrophobicContact CB-CE1 3.68Å; P1223-Y1255 HydrophobicContact CG-CD1 4Å; P1223-Y1255 HydrophobicContact CG-CE1 4.11Å |
| 1224 | S | 66.8 | Low | 66.4 | Low | 67 Ų | 67 | 61.2 Ų | 61.2 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 149.1 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | N1226 E1227 | S1224-N1226 PolarHBondContact O-N 2.91Å; S1224-E1227 WeakPolarHBondContact CB-OE2 3.38Å; S1224-E1227 PolarHBondContact N-OE2 2.84Å; S1224-E1227 VanDerWaalsContact O-CB 3.3Å; S1224-E1227 WeakPolarHBondContact O-CB 3.42Å; S1224-E1227 PolarHBondContact O-N 2.78Å; S1224-E1227 WeakPolarHBondContact OG-CB 3.47Å; S1224-E1227 PolarHBondContact OG-OE2 3.12Å |
| 1225 | A | 55.6 | Low | 66.2 | Low | 80 Ų | 80 | 60.1 Ų | 60.1 | 66% | 0.661 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1226 | N | 55.1 | Low | 66.2 | Low | 166 Ų | 166 | 58.5 Ų | 58.5 | 89% | 0.888 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 10.3 | 178.4 | -63.1 | -22.2 | 0 | 0 | 0 | 112.5 | S1224 | S1224-N1226 PolarHBondContact O-N 2.91Š|
| 1227 | E | 57.9 | Low | 66 | Low | 46 Ų | 46 | 58.1 Ų | 58.1 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 132.1 | -174.6 | -137.4 | 166.7 | 147.8 | 0 | 0 | 111.8 | P1223 S1224 K1248 | P1223-E1227 HydrophobicContact CB-CB 4.49Å; S1224-E1227 WeakPolarHBondContact CB-OE2 3.38Å; S1224-E1227 PolarHBondContact N-OE2 2.84Å; S1224-E1227 VanDerWaalsContact O-CB 3.3Å; S1224-E1227 WeakPolarHBondContact O-CB 3.42Å; S1224-E1227 PolarHBondContact O-N 2.78Å; S1224-E1227 WeakPolarHBondContact OG-CB 3.47Å; S1224-E1227 PolarHBondContact OG-OE2 3.12Å; E1227-K1248 IonicContact OE1-NZ 2.66Å; E1227-K1248 PolarHBondContact OE1-NZ 3.29Å |
| 1228 | A | 55.1 | Low | 65.4 | Low | 79 Ų | 79 | 57.4 Ų | 57.4 | 65% | 0.653 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 151.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1229 | L | 56.6 | Low | 64.3 | Low | 54 Ų | 54 | 60.8 Ų | 60.8 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 145.9 | 170.5 | -79.1 | 162.4 | 0 | 0 | 0 | 110.8 | K1268 F1271 T1273 | L1229-K1268 HydrophobicContact CD1-CD 4.29Å; L1229-K1268 HydrophobicContact CD1-CG 4.11Å; L1229-F1271 HydrophobicContact CD2-CE2 3.85Å; L1229-F1271 HydrophobicContact CD2-CZ 4.21Å; L1229-T1273 HydrophobicContact CD1-CG2 4.32Å; L1229-T1273 HydrophobicContact CD2-CG2 3.98Å |
| 1230 | P | 58.1 | Low | 63 | Low | 27 Ų | 27 | 64.2 Ų | 64.2 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -62 | 139.2 | -179.2 | 26.2 | -33 | 0 | 0 | 0 | 110.3 | I1234 Y1255 | P1230-I1234 HydrophobicContact CB-CB 4.01Å; P1230-I1234 HydrophobicContact CB-CD1 3.87Å; P1230-I1234 HydrophobicContact CB-CG1 4.33Å; P1230-I1234 HydrophobicContact CB-CG2 4.12Å; P1230-Y1255 HydrophobicContact CB-CE2 4.33Å; P1230-Y1255 HydrophobicContact CG-CD1 4.38Å; P1230-Y1255 HydrophobicContact CG-CD2 4Å; P1230-Y1255 HydrophobicContact CG-CE1 4.46Å; P1230-Y1255 HydrophobicContact CG-CE2 4.06Å; P1230-Y1255 HydrophobicContact CG-CG 4.14Å |
| 1231 | P | 61.9 | Low | 61.6 | Low | 71 Ų | 71 | 64.6 Ų | 64.6 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 155.2 | 170.5 | -28.3 | 35.3 | 0 | 0 | 0 | 112.6 | D1233 I1234 | P1231-D1233 PolarHBondContact O-N 2.87Å; P1231-I1234 PolarHBondContact O-N 2.89Å |
| 1232 | P | 55 | Low | 60.5 | Low | 131 Ų | 131 | 64.2 Ų | 64.2 | 85% | 0.851 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.2 | 179.6 | -24.5 | 34.6 | 0 | 0 | 0 | 114.3 | I1234 | P1232-I1234 VanDerWaalsContact C-N 3.31Š|
| 1233 | D | 60.1 | Low | 60.1 | Low | 145 Ų | 145 | 61.9 Ų | 61.9 | 78% | 0.775 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -8.2 | -176.2 | -35 | -49.3 | 0 | 0 | 0 | 113.1 | P1231 | P1231-D1233 PolarHBondContact O-N 2.87Š|
| 1234 | I | 63.8 | Low | 60.2 | Low | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.185 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -82.1 | 125.2 | 176.5 | -66.3 | -165.5 | 0 | 0 | 0 | 109.7 | P1230 P1231 P1232 C1236 C1246 L1247 K1248 | P1230-I1234 HydrophobicContact CB-CB 4.01Å; P1230-I1234 HydrophobicContact CB-CD1 3.87Å; P1230-I1234 HydrophobicContact CB-CG1 4.33Å; P1230-I1234 HydrophobicContact CB-CG2 4.12Å; P1231-I1234 PolarHBondContact O-N 2.89Å; P1232-I1234 VanDerWaalsContact C-N 3.31Å; I1234-C1236 PolarHBondContact O-N 2.98Å; I1234-C1246 HydrophobicContact CG2-CB 3.99Å; I1234-L1247 WeakPolarHBondContact CG2-O 3.42Å; I1234-K1248 HydrophobicContact CD1-CG 4.44Å |
| 1235 | P | 66.2 | Low | 60.7 | Low | 58 Ų | 58 | 58.7 Ų | 58.7 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | trans | -72.2 | 122.8 | -179.7 | 29.8 | -34.3 | 0 | 0 | 0 | 111.1 | F1131 L1247 | F1131-P1235 HydrophobicContact CD1-CB 3.74Å; F1131-P1235 HydrophobicContact CE1-CB 3.64Å; F1131-P1235 HydrophobicContact CE1-CG 4.22Å; F1131-P1235 HydrophobicContact CE2-CG 4.47Å; F1131-P1235 HydrophobicContact CG-CB 4.25Å; F1131-P1235 HydrophobicContact CZ-CB 4.1Å; F1131-P1235 HydrophobicContact CZ-CG 4.16Å; P1235-L1247 HydrophobicContact CG-CB 4.36Å; P1235-L1247 PolarHBondContact O-N 3.28Å | ||
| 1236 | C | 66.8 | Low | 61.8 | Low | 38 Ų | 38 | 54.9 Ų | 54.9 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 152.6 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | I1234 L1244 V1245 C1246 | I1234-C1236 PolarHBondContact O-N 2.98Å; C1236-L1244 HydrophobicContact CB-CD1 3.86Å; C1236-V1245 CarbonylContact C-O 3.57Å; C1236-V1245 WeakPolarHBondContact CA-O 3.32Å; C1236-C1246 HydrophobicContact CB-CB 4.05Å; C1236-C1246 WeakPolarHBondContact CB-SG 3.45Å; C1236-C1246 WeakPolarHBondContact SG-CB 3.14Å; C1236-C1246 CovalentContact SG-SG 2.04Å; C1236-C1246 PolarHBondContact SG-SG 2.67Å |
| 1237 | L | 67.1 | Low | 62.9 | Low | 58 Ų | 58 | 48.9 Ų | 48.9 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.8 | -179.9 | -63.7 | 166.7 | 0 | 0 | 0 | 110 | P1129 F1131 P1243 L1244 V1245 | P1129-L1237 HydrophobicContact CB-CD1 4.38Å; F1131-L1237 HydrophobicContact CD1-CD1 4.26Å; F1131-L1237 HydrophobicContact CD1-CD2 4.11Å; F1131-L1237 HydrophobicContact CD1-CG 4.18Å; F1131-L1237 HydrophobicContact CE1-CD1 3.74Å; F1131-L1237 HydrophobicContact CE1-CD2 4.23Å; F1131-L1237 HydrophobicContact CE1-CG 3.77Å; F1131-L1237 HydrophobicContact CZ-CD1 4.33Å; L1237-P1243 VanDerWaalsContact O-O 3.11Å; L1237-L1244 WeakPolarHBondContact O-CA 3.33Å; L1237-V1245 PolarHBondContact N-O 3.01Å; L1237-V1245 PolarHBondContact O-N 3.17Å |
| 1238 | G | 59.8 | Low | 63.6 | Low | 49 Ų | 49 | 49.6 Ų | 49.6 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | trans | 172.8 | 144 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1243 | G1238-P1243 WeakPolarHBondContact CA-O 3.32Š| ||
| 1239 | D | 54.3 | Low | 64.5 | Low | 86 Ų | 86 | 52.7 Ų | 52.7 | 46% | 0.46 | 32% | 0.316 | S | S | . | . | trans | -105.6 | 171.4 | 171.5 | 69 | -30.8 | 0 | 0 | 0 | 111.3 | G1241 G1242 V1258 | D1239-G1241 PolarHBondContact O-N 2.97Å; D1239-G1242 WeakPolarHBondContact O-CA 3.49Å; D1239-G1242 PolarHBondContact O-N 2.93Å; D1239-G1242 WeakPolarHBondContact OD1-CA 3.31Å; D1239-V1258 WeakPolarHBondContact O-CB 3.27Å | ||
| 1240 | S | 53.7 | Low | 65.3 | Low | 73 Ų | 73 | 55 Ų | 55 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 121.4 | -178 | -63 | 0 | 0 | 0 | 0 | 111.5 | G1242 G1261 | S1240-G1242 VanDerWaalsContact C-N 3.3Å; S1240-G1261 PolarHBondContact OG-N 2.89Å; S1240-G1261 VanDerWaalsContact OG-N 3.13Å |
| 1241 | G | 52.6 | Low | 66.3 | Low | 7 Ų | 7 | 54.6 Ų | 54.6 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A1188 D1239 V1258 | A1188-G1241 WeakPolarHBondContact CB-O 3.31Å; D1239-G1241 PolarHBondContact O-N 2.97Å; G1241-V1258 PolarHBondContact N-O 3.42Å |
| 1242 | G | 59 | Low | 67.4 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -96.7 | 165.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1239 S1240 V1257 V1258 | D1239-G1242 WeakPolarHBondContact O-CA 3.49Å; D1239-G1242 PolarHBondContact O-N 2.93Å; D1239-G1242 WeakPolarHBondContact OD1-CA 3.31Å; S1240-G1242 VanDerWaalsContact C-N 3.3Å; G1242-V1257 WeakPolarHBondContact O-CA 3.28Å; G1242-V1257 WeakPolarHBondContact O-CG1 3.12Å; G1242-V1258 PolarHBondContact O-N 2.98Å |
| 1243 | P | 65.8 | Low | 68.6 | Low | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.9 | -179.3 | 30.5 | -34.3 | 0 | 0 | 0 | 111.6 | S1172 L1237 G1238 V1245 I1254 | S1172-P1243 VanDerWaalsContact OG-CG 3.24Å; S1172-P1243 WeakPolarHBondContact OG-CG 3.5Å; L1237-P1243 VanDerWaalsContact O-O 3.11Å; G1238-P1243 WeakPolarHBondContact CA-O 3.32Å; P1243-V1245 HydrophobicContact CB-CG2 4.1Å; P1243-V1245 HydrophobicContact CG-CG2 4.38Å; P1243-V1245 PolarHBondContact O-N 3.09Å; P1243-I1254 HydrophobicContact CB-CD1 3.46Å; P1243-I1254 VanDerWaalsContact CB-CD1 3.46Å; P1243-I1254 HydrophobicContact CB-CG1 4.14Å |
| 1244 | L | 72.2 | Confident | 69.5 | Low | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 99.5 | 171.8 | -176.7 | 67.4 | 0 | 0 | 0 | 109.5 | C1236 L1237 I1254 Y1255 G1256 V1258 F1271 | C1236-L1244 HydrophobicContact CB-CD1 3.86Å; L1237-L1244 WeakPolarHBondContact O-CA 3.33Å; L1244-I1254 WeakPolarHBondContact O-CA 3.12Å; L1244-Y1255 PolarHBondContact O-N 2.6Å; L1244-G1256 PolarHBondContact N-O 3.43Å; L1244-V1258 HydrophobicContact CB-CG2 4.03Å; L1244-V1258 HydrophobicContact CD1-CG2 4.17Å; L1244-F1271 HydrophobicContact CD2-CB 4.45Å; L1244-F1271 HydrophobicContact CD2-CD1 4.45Å; L1244-F1271 HydrophobicContact CD2-CD2 3.56Å; L1244-F1271 HydrophobicContact CD2-CE2 3.8Å; L1244-F1271 HydrophobicContact CD2-CG 3.91Å; L1244-F1271 HydrophobicContact CD2-CZ 4.36Å |
| 1245 | V | 77.2 | Confident | 70.1 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.8 | -177.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | W1154 V1220 C1236 L1237 P1243 F1252 F1253 I1254 | W1154-V1245 HydrophobicContact CZ2-CG1 4.21Å; V1220-V1245 HydrophobicContact CG2-CG1 3.82Å; V1220-V1245 HydrophobicContact CG2-CG2 4.49Å; C1236-V1245 CarbonylContact C-O 3.57Å; C1236-V1245 WeakPolarHBondContact CA-O 3.32Å; L1237-V1245 PolarHBondContact N-O 3.01Å; L1237-V1245 PolarHBondContact O-N 3.17Å; P1243-V1245 HydrophobicContact CB-CG2 4.1Å; P1243-V1245 HydrophobicContact CG-CG2 4.38Å; P1243-V1245 PolarHBondContact O-N 3.09Å; V1245-F1252 HydrophobicContact CG1-CB 3.88Å; V1245-F1252 HydrophobicContact CG1-CD1 3.94Å; V1245-F1252 HydrophobicContact CG1-CG 4.38Å; V1245-F1253 CarbonylContact C-O 3.58Å; V1245-F1253 WeakPolarHBondContact CA-O 3.3Å; V1245-I1254 HydrophobicContact CG2-CB 4.45Å; V1245-I1254 HydrophobicContact CG2-CG1 4.33Å |
| 1246 | C | 79.3 | Confident | 70.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.6 | -175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | I1234 C1236 F1252 F1253 Y1255 | I1234-C1246 HydrophobicContact CG2-CB 3.99Å; C1236-C1246 HydrophobicContact CB-CB 4.05Å; C1236-C1246 WeakPolarHBondContact CB-SG 3.45Å; C1236-C1246 WeakPolarHBondContact SG-CB 3.14Å; C1236-C1246 CovalentContact SG-SG 2.04Å; C1236-C1246 PolarHBondContact SG-SG 2.67Å; C1246-F1252 WeakPolarHBondContact O-CA 3.46Å; C1246-F1253 PolarHBondContact N-O 3.49Å; C1246-F1253 PolarHBondContact O-N 3.41Å; C1246-Y1255 HydrophobicContact CB-CD2 3.72Å; C1246-Y1255 HydrophobicContact CB-CE2 3.84Å |
| 1247 | L | 79.1 | Confident | 70.1 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.209 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 110.2 | 179.6 | 178.2 | 58.2 | 0 | 0 | 0 | 111.7 | F1131 I1234 P1235 F1252 | F1131-L1247 HydrophobicContact CE2-CB 4.41Å; F1131-L1247 HydrophobicContact CE2-CD2 3.68Å; F1131-L1247 HydrophobicContact CZ-CB 3.9Å; F1131-L1247 HydrophobicContact CZ-CD2 4.04Å; I1234-L1247 WeakPolarHBondContact CG2-O 3.42Å; P1235-L1247 HydrophobicContact CG-CB 4.36Å; P1235-L1247 PolarHBondContact O-N 3.28Å; L1247-F1252 HydrophobicContact CB-CD1 4.04Å; L1247-F1252 HydrophobicContact CB-CE1 3.76Å; L1247-F1252 HydrophobicContact CB-CZ 4.15Å; L1247-F1252 HydrophobicContact CD1-CD1 4.26Å; L1247-F1252 HydrophobicContact CD1-CD2 3.88Å; L1247-F1252 HydrophobicContact CD1-CE1 4.11Å; L1247-F1252 HydrophobicContact CD1-CE2 3.68Å; L1247-F1252 HydrophobicContact CD1-CG 4.17Å; L1247-F1252 HydrophobicContact CD1-CZ 3.8Å; L1247-F1252 HydrophobicContact CD2-CE1 4.44Å; L1247-F1252 HydrophobicContact CD2-CZ 4.03Å; L1247-F1252 HydrophobicContact CG-CE1 4.32Å; L1247-F1252 HydrophobicContact CG-CZ 4.22Å |
| 1248 | K | 72.8 | Confident | 69.8 | Low | 61 Ų | 61 | 32.4 Ų | 32.4 | 27% | 0.265 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.4 | 176.8 | -174.7 | 176.9 | 179.5 | 178.4 | 0 | 110.3 | E1227 I1234 N1250 T1251 F1253 | E1227-K1248 IonicContact OE1-NZ 2.66Å; E1227-K1248 PolarHBondContact OE1-NZ 3.29Å; I1234-K1248 HydrophobicContact CD1-CG 4.44Å; K1248-N1250 VanDerWaalsContact C-N 3.34Å; K1248-N1250 PolarHBondContact O-N 2.89Å; K1248-T1251 CarbonylContact C-O 3.55Å; K1248-T1251 PolarHBondContact N-O 3.09Å; K1248-T1251 CarbonylContact O-C 3.59Å; K1248-T1251 WeakPolarHBondContact O-CA 3.48Å; K1248-T1251 PolarHBondContact O-N 3.16Å; K1248-F1253 HydrophobicContact CB-CD2 3.99Å; K1248-F1253 HydrophobicContact CB-CE2 4.16Å |
| 1249 | N | 73.5 | Confident | 69.4 | Low | 145 Ų | 145 | 32 Ų | 32 | 78% | 0.775 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 50.4 | 179.4 | -62.3 | -5.8 | 0 | 0 | 0 | 113.3 | T1251 | N1249-T1251 PolarHBondContact O-N 3.49Å; N1249-T1251 VanDerWaalsContact O-N 3.1Å; N1249-T1251 PolarHBondContact O-OG1 2.93Å |
| 1250 | N | 73.7 | Confident | 69 | Low | 103 Ų | 103 | 35.6 Ų | 35.6 | 55% | 0.551 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 16.6 | -178.2 | -118.7 | -8.8 | 0 | 0 | 0 | 114.8 | K1128 K1248 | K1128-N1250 PolarHBondContact NZ-ND2 3.02Å; K1128-N1250 PolarHBondContact NZ-OD1 3.23Å; K1248-N1250 VanDerWaalsContact C-N 3.34Å; K1248-N1250 PolarHBondContact O-N 2.89Å |
| 1251 | T | 78.3 | Confident | 68.2 | Low | 17 Ų | 17 | 34.4 Ų | 34.4 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 135.9 | -179 | -49.2 | 0 | 0 | 0 | 0 | 109.8 | G1123 K1124 K1248 N1249 F1253 | G1123-T1251 CarbonylContact O-C 3.49Å; G1123-T1251 WeakPolarHBondContact O-CA 3.41Å; K1124-T1251 WeakPolarHBondContact CE-OG1 3.17Å; K1124-T1251 HydrophobicContact CG-CG2 4.22Å; K1248-T1251 CarbonylContact C-O 3.55Å; K1248-T1251 PolarHBondContact N-O 3.09Å; K1248-T1251 CarbonylContact O-C 3.59Å; K1248-T1251 WeakPolarHBondContact O-CA 3.48Å; K1248-T1251 PolarHBondContact O-N 3.16Å; N1249-T1251 PolarHBondContact O-N 3.49Å; N1249-T1251 VanDerWaalsContact O-N 3.1Å; N1249-T1251 PolarHBondContact O-OG1 2.93Å; T1251-F1253 HydrophobicContact CG2-CD2 4.49Å; T1251-F1253 HydrophobicContact CG2-CE2 3.86Å; T1251-F1253 HydrophobicContact CG2-CZ 4.09Å; T1251-F1253 WeakPolarHBondContact O-CD2 3.24Å |
| 1252 | F | 84.3 | Confident | 67.2 | Low | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.3 | -178.2 | -71.8 | -90.4 | 0 | 0 | 0 | 111.6 | G1123 P1125 P1129 F1131 W1154 V1220 C1221 V1245 C1246 L1247 | G1123-F1252 WeakPolarHBondContact CA-O 3.31Å; G1123-F1252 WeakPolarHBondContact O-CD2 3.19Å; G1123-F1252 PolarHBondContact O-N 2.96Å; P1125-F1252 HydrophobicContact CG-CD2 4.01Å; P1125-F1252 HydrophobicContact CG-CE2 3.85Å; P1129-F1252 HydrophobicContact CB-CE1 4.33Å; P1129-F1252 HydrophobicContact CB-CZ 3.95Å; P1129-F1252 HydrophobicContact CG-CE1 3.92Å; P1129-F1252 HydrophobicContact CG-CE2 4.01Å; P1129-F1252 HydrophobicContact CG-CZ 3.46Å; P1129-F1252 VanDerWaalsContact CG-CZ 3.46Å; F1131-F1252 HydrophobicContact CE2-CE1 4.45Å; F1131-F1252 HydrophobicContact CE2-CZ 4.39Å; F1131-F1252 AromaticContact CZ-CE1 3.84Å; F1131-F1252 HydrophobicContact CZ-CE1 3.84Å; F1131-F1252 HydrophobicContact CZ-CZ 4.22Å; W1154-F1252 HydrophobicContact CH2-CB 3.67Å; W1154-F1252 HydrophobicContact CH2-CD1 4.09Å; W1154-F1252 AromaticContact CH2-CD2 3.54Å; W1154-F1252 HydrophobicContact CH2-CD2 3.54Å; W1154-F1252 HydrophobicContact CH2-CE2 4.16Å; W1154-F1252 AromaticContact CH2-CG 3.49Å; W1154-F1252 HydrophobicContact CH2-CG 3.49Å; W1154-F1252 VanDerWaalsContact CH2-CG 3.49Å; W1154-F1252 HydrophobicContact CZ2-CB 4.07Å; W1154-F1252 HydrophobicContact CZ2-CD1 4.11Å; W1154-F1252 HydrophobicContact CZ2-CD2 4.36Å; W1154-F1252 AromaticContact CZ2-CG 3.93Å; W1154-F1252 HydrophobicContact CZ2-CG 3.93Å; W1154-F1252 HydrophobicContact CZ3-CB 4.16Å; W1154-F1252 HydrophobicContact CZ3-CD2 4.29Å; W1154-F1252 HydrophobicContact CZ3-CG 4.36Å; V1220-F1252 HydrophobicContact CG2-CB 4.25Å; V1220-F1252 VanDerWaalsContact CG2-O 3.29Å; V1220-F1252 WeakPolarHBondContact CG2-O 3.35Å; C1221-F1252 PolarHBondContact N-O 2.85Å; V1245-F1252 HydrophobicContact CG1-CB 3.88Å; V1245-F1252 HydrophobicContact CG1-CD1 3.94Å; V1245-F1252 HydrophobicContact CG1-CG 4.38Å; C1246-F1252 WeakPolarHBondContact O-CA 3.46Å; L1247-F1252 HydrophobicContact CB-CD1 4.04Å; L1247-F1252 HydrophobicContact CB-CE1 3.76Å; L1247-F1252 HydrophobicContact CB-CZ 4.15Å; L1247-F1252 HydrophobicContact CD1-CD1 4.26Å; L1247-F1252 HydrophobicContact CD1-CD2 3.88Å; L1247-F1252 HydrophobicContact CD1-CE1 4.11Å; L1247-F1252 HydrophobicContact CD1-CE2 3.68Å; L1247-F1252 HydrophobicContact CD1-CG 4.17Å; L1247-F1252 HydrophobicContact CD1-CZ 3.8Å; L1247-F1252 HydrophobicContact CD2-CE1 4.44Å; L1247-F1252 HydrophobicContact CD2-CZ 4.03Å; L1247-F1252 HydrophobicContact CG-CE1 4.32Å; L1247-F1252 HydrophobicContact CG-CZ 4.22Å |
| 1253 | F | 81.4 | Confident | 66 | Low | 38 Ų | 38 | 54.4 Ų | 54.4 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.8 | -179.8 | -68 | -93.2 | 0 | 0 | 0 | 111.4 | C1221 V1245 C1246 K1248 T1251 Y1255 | C1221-F1253 HydrophobicContact CB-CD1 3.5Å; C1221-F1253 HydrophobicContact CB-CE1 3.6Å; C1221-F1253 HydrophobicContact CB-CG 4.18Å; C1221-F1253 HydrophobicContact CB-CZ 4.35Å; C1221-F1253 CarbonylContact O-C 3.56Å; C1221-F1253 VanDerWaalsContact O-CA 3.28Å; C1221-F1253 WeakPolarHBondContact O-CA 3.44Å; V1245-F1253 CarbonylContact C-O 3.58Å; V1245-F1253 WeakPolarHBondContact CA-O 3.3Å; C1246-F1253 PolarHBondContact N-O 3.49Å; C1246-F1253 PolarHBondContact O-N 3.41Å; K1248-F1253 HydrophobicContact CB-CD2 3.99Å; K1248-F1253 HydrophobicContact CB-CE2 4.16Å; T1251-F1253 HydrophobicContact CG2-CD2 4.49Å; T1251-F1253 HydrophobicContact CG2-CE2 3.86Å; T1251-F1253 HydrophobicContact CG2-CZ 4.09Å; T1251-F1253 WeakPolarHBondContact O-CD2 3.24Å; F1253-Y1255 HydrophobicContact CB-CD2 4.2Å; F1253-Y1255 HydrophobicContact CB-CE2 3.68Å |
| 1254 | I | 79 | Confident | 64.6 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 109.1 | 177.2 | -169.1 | 168.8 | 0 | 0 | 0 | 111.5 | I1174 L1186 V1220 C1221 L1222 P1223 P1243 L1244 V1245 C1274 | I1174-I1254 HydrophobicContact CG2-CG2 4.23Å; L1186-I1254 HydrophobicContact CB-CD1 4.39Å; L1186-I1254 HydrophobicContact CD2-CD1 3.61Å; L1186-I1254 HydrophobicContact CD2-CG1 4.29Å; V1220-I1254 HydrophobicContact CG1-CB 3.75Å; V1220-I1254 HydrophobicContact CG1-CD1 4.23Å; V1220-I1254 HydrophobicContact CG1-CG2 3.69Å; V1220-I1254 HydrophobicContact CG2-CB 4.21Å; C1221-I1254 PolarHBondContact O-N 2.83Å; L1222-I1254 HydrophobicContact CD2-CG2 3.79Å; P1223-I1254 WeakPolarHBondContact CD-O 3.27Å; P1243-I1254 HydrophobicContact CB-CD1 3.46Å; P1243-I1254 VanDerWaalsContact CB-CD1 3.46Å; P1243-I1254 HydrophobicContact CB-CG1 4.14Å; L1244-I1254 WeakPolarHBondContact O-CA 3.12Å; V1245-I1254 HydrophobicContact CG2-CB 4.45Å; V1245-I1254 HydrophobicContact CG2-CG1 4.33Å; I1254-C1274 PolarHBondContact O-SG 2.94Å |
| 1255 | Y | 75.1 | Confident | 63 | Low | 6 Ų | 6 | 66.9 Ų | 66.9 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -14.5 | -174.5 | -77.7 | -82.2 | 0 | 0 | 0 | 114.3 | P1223 P1230 L1244 C1246 F1253 T1273 C1274 | P1223-Y1255 HydrophobicContact CB-CD1 4.11Å; P1223-Y1255 HydrophobicContact CB-CE1 3.68Å; P1223-Y1255 HydrophobicContact CG-CD1 4Å; P1223-Y1255 HydrophobicContact CG-CE1 4.11Å; P1230-Y1255 HydrophobicContact CB-CE2 4.33Å; P1230-Y1255 HydrophobicContact CG-CD1 4.38Å; P1230-Y1255 HydrophobicContact CG-CD2 4Å; P1230-Y1255 HydrophobicContact CG-CE1 4.46Å; P1230-Y1255 HydrophobicContact CG-CE2 4.06Å; P1230-Y1255 HydrophobicContact CG-CG 4.14Å; L1244-Y1255 PolarHBondContact O-N 2.6Å; C1246-Y1255 HydrophobicContact CB-CD2 3.72Å; C1246-Y1255 HydrophobicContact CB-CE2 3.84Å; F1253-Y1255 HydrophobicContact CB-CD2 4.2Å; F1253-Y1255 HydrophobicContact CB-CE2 3.68Å; Y1255-T1273 WeakPolarHBondContact O-CA 3.31Å; Y1255-C1274 VanDerWaalsContact C-SG 3.6Å; Y1255-C1274 PolarHBondContact O-N 3.42Å |
| 1256 | G | 68.7 | Low | 61 | Low | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -165.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1244 T1272 | L1244-G1256 PolarHBondContact N-O 3.43Å; G1256-T1272 WeakPolarHBondContact CA-O 3.33Å |
| 1257 | V | 65.9 | Low | 59 | Low | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.3 | 169 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | L1186 A1188 I1202 G1242 F1271 T1272 | L1186-V1257 HydrophobicContact CD2-CG2 4.3Å; A1188-V1257 HydrophobicContact CB-CG1 3.85Å; I1202-V1257 HydrophobicContact CD1-CG2 4.24Å; I1202-V1257 HydrophobicContact CG1-CB 4.13Å; I1202-V1257 HydrophobicContact CG1-CG2 3.9Å; I1202-V1257 HydrophobicContact CG2-CG2 4.15Å; G1242-V1257 WeakPolarHBondContact O-CA 3.28Å; G1242-V1257 WeakPolarHBondContact O-CG1 3.12Å; V1257-F1271 WeakPolarHBondContact O-CA 3.34Å; V1257-T1272 PolarHBondContact N-O 3.4Å; V1257-T1272 VanDerWaalsContact N-O 3.11Å; V1257-T1272 PolarHBondContact O-N 2.87Å |
| 1258 | V | 60.8 | Low | 57.2 | Low | 19 Ų | 19 | 83.5 Ų | 83.5 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 122.2 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | D1239 G1241 G1242 L1244 | D1239-V1258 WeakPolarHBondContact O-CB 3.27Å; G1241-V1258 PolarHBondContact N-O 3.42Å; G1242-V1258 PolarHBondContact O-N 2.98Å; L1244-V1258 HydrophobicContact CB-CG2 4.03Å; L1244-V1258 HydrophobicContact CD1-CG2 4.17Å |
| 1259 | S | 51.4 | Low | 55.6 | Low | 40 Ų | 40 | 89.1 Ų | 89.1 | 28% | 0.28 | 44% | 0.435 | S | S | . | . | trans | -87 | -41.4 | -174.4 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | H1270 | S1259-H1270 PolarHBondContact N-O 3.45Š| ||
| 1260 | F | 46.1 | Very low | 54.2 | Low | 161 Ų | 161 | 85.4 Ų | 85.4 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | trans | -154.2 | 136.5 | 177.4 | -107.4 | -91.5 | 0 | 0 | 0 | 111.4 | ||||
| 1261 | G | 35.4 | Very low | 53 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | trans | -94.5 | 128.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1240 | S1240-G1261 PolarHBondContact OG-N 2.89Å; S1240-G1261 VanDerWaalsContact OG-N 3.13Å | ||
| 1262 | F | 33.1 | Very low | 51.8 | Low | 183 Ų | 183 | 82.2 Ų | 82.2 | 80% | 0.803 | 40% | 0.395 | S | S | * | . | trans | -130.4 | 166.1 | 168 | -120.2 | -92.9 | 0 | 0 | 0 | 111.7 | E1264 | F1262-E1264 VanDerWaalsContact C-N 3.33Å; F1262-E1264 PolarHBondContact O-N 2.98Å | ||
| 1263 | R | 33.6 | Very low | 50.4 | Low | 244 Ų | 244 | 82 Ų | 82 | 92% | 0.921 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -72.2 | -6.2 | -161.3 | -99.9 | -179.4 | 173.3 | 176 | -2.9 | 117.8 | ||
| 1264 | E | 35.1 | Very low | 49 | Very low | 163 Ų | 163 | 81.6 Ų | 81.6 | 76% | 0.762 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -131.8 | 143.8 | -169.4 | -66.1 | 178.5 | 177.2 | 0 | 0 | 111 | F1262 | F1262-E1264 VanDerWaalsContact C-N 3.33Å; F1262-E1264 PolarHBondContact O-N 2.98Å |
| 1265 | T | 38.6 | Very low | 47.7 | Very low | 120 Ų | 120 | 84 Ų | 84 | 74% | 0.736 | 41% | 0.411 | S | S | * | . | trans | -2.9 | 119.5 | 177.4 | 33.4 | 0 | 0 | 0 | 0 | 117 | K1267 | T1265-K1267 PolarHBondContact O-N 2.05Š| ||
| 1266 | I | 35.2 | Very low | 46.3 | Very low | 119 Ų | 119 | 89.4 Ų | 89.4 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | trans | -54 | 94.3 | -177 | -57.1 | 174.5 | 0 | 0 | 0 | 111.3 | F1271 | I1266-F1271 HydrophobicContact CG2-CD1 3.74Å; I1266-F1271 HydrophobicContact CG2-CE1 3.59Å | ||
| 1267 | K | 38.7 | Very low | 44.8 | Very low | 130 Ų | 130 | 94.5 Ų | 94.5 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | trans | -81.4 | 149.7 | 169.6 | -69.2 | 177.4 | -174.7 | 172.7 | 0 | 110 | T1265 E1269 H1270 | T1265-K1267 PolarHBondContact O-N 2.05Å; K1267-E1269 PolarHBondContact O-N 3.07Å; K1267-H1270 PolarHBondContact O-N 2.95Å; K1267-H1270 VanDerWaalsContact O-N 3.14Å; K1267-H1270 PolarHBondContact O-ND1 3.1Å | ||
| 1268 | K | 40.5 | Very low | 43 | Very low | 147 Ų | 147 | 103.4 Ų | 103.4 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -15.3 | -177.8 | -141.4 | -173.3 | -173.1 | -166.6 | 0 | 115.6 | L1229 | L1229-K1268 HydrophobicContact CD1-CD 4.29Å; L1229-K1268 HydrophobicContact CD1-CG 4.11Å |
| 1269 | E | 39.6 | Very low | 41.4 | Very low | 179 Ų | 179 | 106.1 Ų | 106.1 | 84% | 0.836 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.4 | -176.5 | -63.1 | 171.6 | -167.7 | 0 | 0 | 113.8 | K1267 | K1267-E1269 PolarHBondContact O-N 3.07Š|
| 1270 | H | 44 | Very low | 40.1 | Very low | 66 Ų | 66 | 112.4 Ų | 112.4 | 31% | 0.306 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -101.6 | -4.8 | -172.8 | -60.6 | 98.9 | 0 | 0 | 0 | 115.4 | S1259 K1267 | S1259-H1270 PolarHBondContact N-O 3.45Å; K1267-H1270 PolarHBondContact O-N 2.95Å; K1267-H1270 VanDerWaalsContact O-N 3.14Å; K1267-H1270 PolarHBondContact O-ND1 3.1Å |
| 1271 | F | 47.9 | Very low | 39 | Very low | 25 Ų | 25 | 110.6 Ų | 110.6 | 11% | 0.11 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 144 | -178 | 64.7 | -81.3 | 0 | 0 | 0 | 110.7 | L1229 L1244 V1257 I1266 T1273 | L1229-F1271 HydrophobicContact CD2-CE2 3.85Å; L1229-F1271 HydrophobicContact CD2-CZ 4.21Å; L1244-F1271 HydrophobicContact CD2-CB 4.45Å; L1244-F1271 HydrophobicContact CD2-CD1 4.45Å; L1244-F1271 HydrophobicContact CD2-CD2 3.56Å; L1244-F1271 HydrophobicContact CD2-CE2 3.8Å; L1244-F1271 HydrophobicContact CD2-CG 3.91Å; L1244-F1271 HydrophobicContact CD2-CZ 4.36Å; V1257-F1271 WeakPolarHBondContact O-CA 3.34Å; I1266-F1271 HydrophobicContact CG2-CD1 3.74Å; I1266-F1271 HydrophobicContact CG2-CE1 3.59Å; F1271-T1273 HydrophobicContact CD2-CG2 4.3Å; F1271-T1273 HydrophobicContact CE2-CG2 3.94Å |
| 1272 | T | 53 | Low | 38.4 | Very low | 28 Ų | 28 | 116 Ų | 116 | 17% | 0.172 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 126.2 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 109 | D1201 I1202 G1256 V1257 | D1201-T1272 HydrophobicContact CB-CG2 4.18Å; D1201-T1272 PolarHBondContact OD2-OG1 2.97Å; I1202-T1272 HydrophobicContact CD1-CG2 4.1Å; I1202-T1272 HydrophobicContact CG1-CG2 4.36Å; G1256-T1272 WeakPolarHBondContact CA-O 3.33Å; V1257-T1272 PolarHBondContact N-O 3.4Å; V1257-T1272 VanDerWaalsContact N-O 3.11Å; V1257-T1272 PolarHBondContact O-N 2.87Å |
| 1273 | T | 54.8 | Low | 37.9 | Very low | 3 Ų | 3 | 115.2 Ų | 115.2 | 2% | 0.018 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 149.3 | -170.2 | 84.1 | 0 | 0 | 0 | 0 | 112.2 | L1229 Y1255 F1271 T1275 D1276 | L1229-T1273 HydrophobicContact CD1-CG2 4.32Å; L1229-T1273 HydrophobicContact CD2-CG2 3.98Å; Y1255-T1273 WeakPolarHBondContact O-CA 3.31Å; F1271-T1273 HydrophobicContact CD2-CG2 4.3Å; F1271-T1273 HydrophobicContact CE2-CG2 3.94Å; T1273-T1275 PolarHBondContact O-N 2.95Å; T1273-T1275 PolarHBondContact OG1-N 3.2Å; T1273-T1275 PolarHBondContact OG1-OG1 3Å; T1273-D1276 WeakPolarHBondContact CG2-OD2 3.37Å; T1273-D1276 PolarHBondContact OG1-N 2.93Å; T1273-D1276 PolarHBondContact OG1-OD2 3.28Å |
| 1274 | C | 52.2 | Low | 37.5 | Very low | 28 Ų | 28 | 109.1 Ų | 109.1 | 19% | 0.189 | 55% | 0.552 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | -16.8 | 171.6 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | I1254 Y1255 | I1254-C1274 PolarHBondContact O-SG 2.94Å; Y1255-C1274 VanDerWaalsContact C-SG 3.6Å; Y1255-C1274 PolarHBondContact O-N 3.42Å |
| 1275 | T | 52.2 | Low | 37.1 | Very low | 51 Ų | 51 | 106.8 Ų | 106.8 | 31% | 0.313 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -25.2 | -173.3 | 47.6 | 0 | 0 | 0 | 0 | 114 | T1273 H1277 | T1273-T1275 PolarHBondContact O-N 2.95Å; T1273-T1275 PolarHBondContact OG1-N 3.2Å; T1273-T1275 PolarHBondContact OG1-OG1 3Å; T1275-H1277 PolarHBondContact O-N 3.1Å |
| 1276 | D | 44.7 | Very low | 36.4 | Very low | 120 Ų | 120 | 108.9 Ų | 108.9 | 64% | 0.642 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -26.6 | 176.7 | -70.9 | -51.8 | 0 | 0 | 0 | 112.4 | T1273 | T1273-D1276 WeakPolarHBondContact CG2-OD2 3.37Å; T1273-D1276 PolarHBondContact OG1-N 2.93Å; T1273-D1276 PolarHBondContact OG1-OD2 3.28Å |
| 1277 | H | 38.2 | Very low | 36 | Very low | 107 Ų | 107 | 111.9 Ų | 111.9 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -91.7 | 103.6 | 165.9 | -68.2 | -79.4 | 0 | 0 | 0 | 109.9 | T1275 P1279 | T1275-H1277 PolarHBondContact O-N 3.1Å; H1277-P1279 WeakPolarHBondContact O-CD 3.22Å |
| 1278 | K | 28 | Very low | 35.3 | Very low | 190 Ų | 190 | 113 Ų | 113 | 83% | 0.826 | 57% | 0.571 | S | S | * | * | trans | -51 | 114.4 | 162.2 | -78.4 | -174.6 | 176.9 | -178.9 | 0 | 108.2 | L1280 | K1278-L1280 PolarHBondContact O-N 2.76Š| ||
| 1279 | P | 27.5 | Very low | 34.5 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 49% | 0.494 | 58% | 0.582 | S | S | . | * | trans | -58.8 | 128.2 | 166.4 | -16.4 | 31.2 | 0 | 0 | 0 | 105.5 | H1277 I1281 | H1277-P1279 WeakPolarHBondContact O-CD 3.22Å; P1279-I1281 PolarHBondContact O-N 2.76Å | ||
| 1280 | L | 22.9 | Very low | 33.8 | Very low | 172 Ų | 172 | 112.8 Ų | 112.8 | 90% | 0.901 | 58% | 0.581 | S | S | * | * | trans | -68.1 | 90.2 | 169.9 | -98.5 | 157.8 | 0 | 0 | 0 | 106.5 | K1278 M1282 | K1278-L1280 PolarHBondContact O-N 2.76Å; L1280-M1282 VanDerWaalsContact C-N 3.3Å; L1280-M1282 PolarHBondContact O-N 2.67Å | ||
| 1281 | I | 23.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 115 Ų | 115 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | trans | -56 | 98.8 | 172.8 | -63.8 | 167.6 | 0 | 0 | 0 | 105.9 | P1279 K1283 | P1279-I1281 PolarHBondContact O-N 2.76Å; I1281-K1283 PolarHBondContact O-N 3.05Å | ||
| 1282 | M | 22.9 | Very low | 31.9 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 79% | 0.793 | 63% | 0.633 | S | S | * | * | trans | -57.2 | 113.9 | 156.5 | -76.8 | -177.1 | 68.5 | 0 | 0 | 104.9 | L1280 S1284 | L1280-M1282 VanDerWaalsContact C-N 3.3Å; L1280-M1282 PolarHBondContact O-N 2.67Å; M1282-S1284 PolarHBondContact O-N 3.02Å | ||
| 1283 | K | 23.3 | Very low | 30.6 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 73% | 0.726 | 66% | 0.657 | S | S | * | * | trans | -49.8 | 124.9 | -170.3 | -70.2 | 170.5 | 153.5 | -154.7 | 0 | 109.9 | I1281 D1285 | I1281-K1283 PolarHBondContact O-N 3.05Å; K1283-D1285 HydrophobicContact CB-CB 4.45Å; K1283-D1285 WeakPolarHBondContact CD-OD2 3.5Å; K1283-D1285 IonicContact NZ-OD2 2.82Å; K1283-D1285 PolarHBondContact O-N 2.92Å | ||
| 1284 | S | 24.9 | Very low | 29.3 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 69% | 0.692 | S | S | * | * | trans | -74.1 | 57.5 | 168 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | M1282 | M1282-S1284 PolarHBondContact O-N 3.02Š| ||
| 1285 | D | 26.1 | Very low | 27.9 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | trans | -87.6 | 121.8 | 174.1 | -79 | -29.5 | 0 | 0 | 0 | 108.8 | K1283 | K1283-D1285 HydrophobicContact CB-CB 4.45Å; K1283-D1285 WeakPolarHBondContact CD-OD2 3.5Å; K1283-D1285 IonicContact NZ-OD2 2.82Å; K1283-D1285 PolarHBondContact O-N 2.92Å | ||
| 1286 | M | 24.4 | Very low | 26.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 74.4 | 66.9 | 164.1 | -49.3 | -158.4 | -52.1 | 0 | 0 | 119.9 | ||
| 1287 | Q | 26.6 | Very low | 25.8 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | S | Bend | -138.2 | 140.7 | 118.3 | -68.6 | -163.9 | -16.4 | 0 | 0 | 108.5 | |||
| 1288 | N | 25.5 | Very low | 25.3 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 76.8 | 66.3 | -178.9 | -54 | -29.6 | 0 | 0 | 0 | 118.8 | ||
| 1289 | L | 23.4 | Very low | 25.1 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | -146.7 | 122.1 | 118.3 | -162.4 | 70 | 0 | 0 | 0 | 110.6 | |||||
| 1290 | L | 23.5 | Very low | 25 | Very low | 156 Ų | 156 | 143.3 Ų | 143.3 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -73.8 | 126.8 | 177.3 | -65.6 | 86.5 | 0 | 0 | 0 | 110.9 | ||||
| 1291 | V | 26.4 | Very low | 25.1 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -145.5 | 103.8 | 145.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | T1293 | V1291-T1293 VanDerWaalsContact C-N 3.34Å; V1291-T1293 WeakPolarHBondContact CG1-OG1 3.29Å; V1291-T1293 PolarHBondContact O-N 2.81Å | ||
| 1292 | S | 25.7 | Very low | 25.1 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -89.3 | 32.4 | -170.6 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1293 | T | 26.8 | Very low | 25.2 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -131.2 | 1.3 | -164 | 19.8 | 0 | 0 | 0 | 0 | 118.3 | V1291 | V1291-T1293 VanDerWaalsContact C-N 3.34Å; V1291-T1293 WeakPolarHBondContact CG1-OG1 3.29Å; V1291-T1293 PolarHBondContact O-N 2.81Å |
| 1294 | V | 27.1 | Very low | 25.6 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -127.5 | -11.6 | -175.3 | -164 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1295 | C | 23 | Very low | 26 | Very low | 106 Ų | 106 | 148 Ų | 148 | 72% | 0.716 | 79% | 0.785 | S | S | * | * | trans | -104.7 | 18 | -173.1 | -123.8 | 0 | 0 | 0 | 0 | 116.8 | M1297 | C1295-M1297 PolarHBondContact O-N 3.02Š| ||
| 1296 | S | 27 | Very low | 27.1 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 5.5 | 172.8 | -52.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1297 | M | 25.9 | Very low | 28.3 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 4.5 | -174.9 | -105.7 | -175.3 | 70.1 | 0 | 0 | 116.1 | C1295 | C1295-M1297 PolarHBondContact O-N 3.02Š|
| 1298 | F | 26.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | -127.2 | 44.6 | 176.8 | -75.4 | -77.8 | 0 | 0 | 0 | 113.8 | L1300 | F1298-L1300 PolarHBondContact O-N 3.31Š| ||
| 1299 | L | 24.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -67.1 | 74.3 | 155.9 | -77.3 | 170.3 | 0 | 0 | 0 | 110.2 | ||||
| 1300 | L | 24.8 | Very low | 36.7 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -159 | 24.6 | 167.6 | -111.8 | -174.9 | 0 | 0 | 0 | 116.7 | F1298 | F1298-L1300 PolarHBondContact O-N 3.31Š| ||
| 1301 | F | 24.6 | Very low | 39.8 | Very low | 205 Ų | 205 | 122.6 Ų | 122.6 | 90% | 0.899 | 65% | 0.654 | S | S | * | * | trans | -135 | 104.5 | 162.6 | -80.2 | -72.6 | 0 | 0 | 0 | 111.5 | Y1303 | F1301-Y1303 PolarHBondContact O-N 3.1Š| ||
| 1302 | N | 24.9 | Very low | 42.8 | Very low | 170 Ų | 170 | 118 Ų | 118 | 91% | 0.909 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.3 | 173.7 | -75.5 | -24.3 | 0 | 0 | 0 | 110.1 | ||
| 1303 | Y | 23.3 | Very low | 45.5 | Very low | 213 Ų | 213 | 118.6 Ų | 118.6 | 84% | 0.835 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 126.4 | 175.2 | -168.2 | -98.2 | 0 | 0 | 0 | 109.6 | F1301 | F1301-Y1303 PolarHBondContact O-N 3.1Š|
| 1304 | S | 32.1 | Very low | 48.3 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 123.5 | -178.3 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1305 | E | 33.9 | Very low | 51.1 | Low | 154 Ų | 154 | 117.4 Ų | 117.4 | 72% | 0.72 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 138.8 | 166.1 | -63 | -178 | 151.2 | 0 | 0 | 110.6 | T1307 | E1305-T1307 PolarHBondContact O-N 3.23Š|
| 1306 | E | 48.3 | Very low | 54.1 | Low | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.724 | 56% | 0.559 | S | S | * | * | trans | -68.7 | 102.3 | -179.6 | -71.1 | -159.8 | 127.5 | 0 | 0 | 110.8 | I1308 | E1306-I1308 WeakPolarHBondContact O-CG1 3.09Å; E1306-I1308 PolarHBondContact O-N 3.09Å | ||
| 1307 | T | 51 | Low | 56.8 | Low | 75 Ų | 75 | 109.1 Ų | 109.1 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | trans | -52.9 | 122.5 | 177.2 | 48.8 | 0 | 0 | 0 | 0 | 111.9 | E1305 K1311 | E1305-T1307 PolarHBondContact O-N 3.23Å; T1307-K1311 WeakPolarHBondContact O-CD 3.37Å; T1307-K1311 WeakPolarHBondContact O-CE 3.35Å; T1307-K1311 PolarHBondContact O-NZ 2.86Å; T1307-K1311 VanDerWaalsContact OG1-CE 3.32Å; T1307-K1311 WeakPolarHBondContact OG1-CE 3.28Å; T1307-K1311 PolarHBondContact OG1-NZ 3.46Å | ||
| 1308 | I | 73.7 | Confident | 59.3 | Low | 80 Ų | 80 | 104.8 Ų | 104.8 | 41% | 0.41 | 51% | 0.508 | S | S | . | . | trans | -91.1 | -15.4 | -169.2 | -37.6 | 173.3 | 0 | 0 | 0 | 112.4 | E1306 N1367 | E1306-I1308 WeakPolarHBondContact O-CG1 3.09Å; E1306-I1308 PolarHBondContact O-N 3.09Å; I1308-N1367 WeakPolarHBondContact CD1-OD1 3.43Å; I1308-N1367 WeakPolarHBondContact CG2-OD1 3.5Å | ||
| 1309 | C | 88.9 | Confident | 60.9 | Low | 10 Ų | 10 | 99.2 Ų | 99.2 | 7% | 0.068 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -85.8 | 162.4 | 174.8 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | K1311 H1362 G1501 C1503 | C1309-K1311 PolarHBondContact O-N 2.81Å; C1309-H1362 HydrophobicContact CB-CB 3.41Å; C1309-H1362 VanDerWaalsContact CB-CB 3.41Å; C1309-H1362 VanDerWaalsContact CB-CD2 3.5Å; C1309-H1362 WeakPolarHBondContact CB-CD2 3.49Å; C1309-G1501 WeakPolarHBondContact CA-O 3.45Å; C1309-G1501 WeakPolarHBondContact CB-O 3.06Å; C1309-C1503 HydrophobicContact CB-CB 4.03Å; C1309-C1503 WeakPolarHBondContact CB-SG 3.37Å; C1309-C1503 PolarHBondContact O-SG 3Å; C1309-C1503 WeakPolarHBondContact SG-CA 3.18Å; C1309-C1503 WeakPolarHBondContact SG-CB 3.42Å; C1309-C1503 CovalentContact SG-SG 2.03Å; C1309-C1503 PolarHBondContact SG-SG 3.5Å |
| 1310 | G | 88.6 | Confident | 62.3 | Low | 0 Ų | 0 | 96.2 Ų | 96.2 | 0% | 0 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 66.7 | 5.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | P1312 G1501 F1586 | G1310-P1312 WeakPolarHBondContact O-CD 3.33Å; G1310-G1501 PolarHBondContact N-O 3.14Å; G1310-F1586 WeakPolarHBondContact CA-O 3.38Å; G1310-F1586 WeakPolarHBondContact O-CB 3.21Å; G1310-F1586 PolarHBondContact O-N 2.04Å |
| 1311 | K | 87.9 | Confident | 63.4 | Low | 82 Ų | 82 | 98.4 Ų | 98.4 | 36% | 0.357 | 48% | 0.482 | S | S | . | . | trans | -110.7 | 77.6 | 179.4 | -68.3 | 175.4 | -172.1 | 156.5 | 0 | 110.8 | T1307 C1309 F1313 Q1500 T1585 | T1307-K1311 WeakPolarHBondContact O-CD 3.37Å; T1307-K1311 WeakPolarHBondContact O-CE 3.35Å; T1307-K1311 PolarHBondContact O-NZ 2.86Å; T1307-K1311 VanDerWaalsContact OG1-CE 3.32Å; T1307-K1311 WeakPolarHBondContact OG1-CE 3.28Å; T1307-K1311 PolarHBondContact OG1-NZ 3.46Å; C1309-K1311 PolarHBondContact O-N 2.81Å; K1311-F1313 PolarHBondContact O-N 2.78Å; K1311-Q1500 PolarHBondContact O-OE1 3.25Å; K1311-T1585 WeakPolarHBondContact CE-OG1 3.23Å; K1311-T1585 HydrophobicContact CG-CG2 4.36Å | ||
| 1312 | P | 89.1 | Confident | 64.2 | Low | 15 Ų | 15 | 94 Ų | 94 | 10% | 0.097 | 47% | 0.465 | C | S | . | . | trans | -67.3 | 133.2 | -174.2 | 30.7 | -36.7 | 0 | 0 | 0 | 111.2 | G1310 F1314 P1316 P1340 W1341 F1586 | G1310-P1312 WeakPolarHBondContact O-CD 3.33Å; P1312-F1314 VanDerWaalsContact C-N 3.32Å; P1312-F1314 PolarHBondContact O-N 3.44Å; P1312-P1316 HydrophobicContact CG-CG 4.29Å; P1312-P1340 HydrophobicContact CB-CG 3.83Å; P1312-W1341 HydrophobicContact CB-CH2 4.11Å; P1312-W1341 HydrophobicContact CB-CZ3 4.08Å; P1312-W1341 HydrophobicContact CG-CH2 3.77Å; P1312-W1341 HydrophobicContact CG-CZ3 4.13Å; P1312-F1586 HydrophobicContact CG-CD2 4.06Å; P1312-F1586 HydrophobicContact CG-CE2 4.07Å | ||
| 1313 | F | 83.2 | Confident | 65 | Low | 131 Ų | 131 | 97.2 Ų | 97.2 | 58% | 0.575 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -57.7 | -46.1 | 176.4 | -176.6 | -95.3 | 0 | 0 | 0 | 111.4 | K1311 K1315 L1497 | K1311-F1313 PolarHBondContact O-N 2.78Å; F1313-K1315 PolarHBondContact O-N 2.85Å; F1313-L1497 HydrophobicContact CB-CD2 4.19Å; F1313-L1497 HydrophobicContact CD1-CD2 4.42Å; F1313-L1497 HydrophobicContact CD2-CD2 3.82Å; F1313-L1497 HydrophobicContact CE2-CD2 4.28Å; F1313-L1497 HydrophobicContact CG-CD2 3.89Å |
| 1314 | F | 85.6 | Confident | 65.8 | Low | 61 Ų | 61 | 88.3 Ų | 88.3 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -87.2 | 105.5 | 171.2 | -56.3 | -76.7 | 0 | 0 | 0 | 109.8 | P1312 H1337 S1338 V1498 | P1312-F1314 VanDerWaalsContact C-N 3.32Å; P1312-F1314 PolarHBondContact O-N 3.44Å; F1314-H1337 HydrophobicContact CD2-CB 3.77Å; F1314-H1337 HydrophobicContact CE2-CB 4.12Å; F1314-S1338 WeakPolarHBondContact O-CA 3.36Å; F1314-S1338 WeakPolarHBondContact O-CB 3.16Å; F1314-V1498 HydrophobicContact CE2-CG1 4.13Å |
| 1315 | K | 85 | Confident | 66.2 | Low | 148 Ų | 148 | 94 Ų | 94 | 64% | 0.643 | 44% | 0.441 | S | S | * | . | trans | -62.4 | 134.1 | -178.7 | -63.7 | -176.7 | 180 | -178.8 | 0 | 112.7 | F1313 | F1313-K1315 PolarHBondContact O-N 2.85Š| ||
| 1316 | P | 87.5 | Confident | 66.5 | Low | 14 Ų | 14 | 90.1 Ų | 90.1 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | trans | -59.5 | 165.7 | 169.4 | -29.4 | 37 | 0 | 0 | 0 | 114.8 | P1312 L1318 S1338 L1519 F1586 | P1312-P1316 HydrophobicContact CG-CG 4.29Å; P1316-L1318 PolarHBondContact O-N 2.94Å; P1316-S1338 WeakPolarHBondContact CG-O 3.32Å; P1316-L1519 HydrophobicContact CB-CD1 3.5Å; P1316-L1519 VanDerWaalsContact CB-CD1 3.5Å; P1316-L1519 HydrophobicContact CG-CD1 4.2Å; P1316-F1586 HydrophobicContact CB-CZ 4.15Å; P1316-F1586 HydrophobicContact CG-CE2 3.77Å; P1316-F1586 HydrophobicContact CG-CZ 3.7Å | ||
| 1317 | I | 83.8 | Confident | 66.4 | Low | 38 Ų | 38 | 87.7 Ų | 87.7 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | trans | -92.6 | 97.5 | -180 | -61.5 | 167.5 | 0 | 0 | 0 | 108.6 | S1319 E1322 L1332 K1335 Q1537 | I1317-S1319 VanDerWaalsContact C-N 3.28Å; I1317-S1319 PolarHBondContact O-N 3.47Å; I1317-E1322 WeakPolarHBondContact CG2-OE2 3.37Å; I1317-L1332 HydrophobicContact CB-CD1 3.92Å; I1317-L1332 HydrophobicContact CD1-CD1 3.64Å; I1317-L1332 HydrophobicContact CG1-CD1 4.36Å; I1317-L1332 HydrophobicContact CG2-CD1 4.02Å; I1317-L1332 HydrophobicContact CG2-CD2 4.23Å; I1317-K1335 HydrophobicContact CD1-CB 4.33Å; I1317-K1335 HydrophobicContact CG1-CB 4.5Å; I1317-Q1537 PolarHBondContact O-OE1 2.79Å | ||
| 1318 | L | 77.2 | Confident | 66.4 | Low | 68 Ų | 68 | 84.3 Ų | 84.3 | 36% | 0.356 | 39% | 0.389 | S | S | . | . | trans | -90 | 14.2 | 178.3 | -58.2 | 172.8 | 0 | 0 | 0 | 113 | P1316 P1517 L1519 L1581 F1586 | P1316-L1318 PolarHBondContact O-N 2.94Å; L1318-P1517 HydrophobicContact CD2-CB 4.28Å; L1318-L1519 HydrophobicContact CD2-CD1 3.77Å; L1318-L1519 HydrophobicContact CD2-CD2 4.13Å; L1318-L1519 HydrophobicContact CD2-CG 4.03Å; L1318-L1581 HydrophobicContact CD1-CD2 3.83Å; L1318-F1586 HydrophobicContact CD2-CE1 4.37Å; L1318-F1586 HydrophobicContact CD2-CZ 4.18Å | ||
| 1319 | S | 61.4 | Low | 65 | Low | 50 Ų | 50 | 80.6 Ų | 80.6 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | trans | -106.7 | 126.7 | -171.3 | 171 | 0 | 0 | 0 | 0 | 111.9 | I1317 K1321 | I1317-S1319 VanDerWaalsContact C-N 3.28Å; I1317-S1319 PolarHBondContact O-N 3.47Å; S1319-K1321 VanDerWaalsContact C-N 3.31Å; S1319-K1321 PolarHBondContact OG-N 2.94Å | ||
| 1320 | T | 52.5 | Low | 63.2 | Low | 105 Ų | 105 | 83.2 Ų | 83.2 | 64% | 0.644 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -82.1 | -6.8 | 171 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1321 | K | 48.4 | Very low | 61.9 | Low | 195 Ų | 195 | 83.2 Ų | 83.2 | 85% | 0.848 | 38% | 0.383 | S | S | * | . | trans | -79.5 | -20.9 | -176.4 | -74 | -174.4 | 176.1 | 178.8 | 0 | 113.7 | S1319 | S1319-K1321 VanDerWaalsContact C-N 3.31Å; S1319-K1321 PolarHBondContact OG-N 2.94Å | ||
| 1322 | E | 40.9 | Very low | 61.5 | Low | 113 Ų | 113 | 80.8 Ų | 80.8 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -75.8 | 129.3 | 176.3 | -67.8 | -172.1 | 152.5 | 0 | 0 | 111.1 | I1317 A1324 | I1317-E1322 WeakPolarHBondContact CG2-OE2 3.37Å; E1322-A1324 PolarHBondContact O-N 3.29Å |
| 1323 | R | 42.1 | Very low | 61.3 | Low | 237 Ų | 237 | 82.7 Ų | 82.7 | 89% | 0.894 | 38% | 0.382 | S | S | * | . | trans | -72.5 | 84.3 | -174.2 | -75 | 177.4 | 169 | 172.7 | -4.2 | 111.4 | R1325 | R1323-R1325 PolarHBondContact O-N 3.03Š| ||
| 1324 | A | 40.5 | Very low | 61.5 | Low | 27 Ų | 27 | 76.6 Ų | 76.6 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | trans | -55.6 | 90.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1322 N1326 L1332 | E1322-A1324 PolarHBondContact O-N 3.29Å; A1324-N1326 PolarHBondContact O-N 2.84Å; A1324-L1332 HydrophobicContact CB-CB 3.96Å | ||
| 1325 | R | 41.2 | Very low | 61.6 | Low | 215 Ų | 215 | 79.1 Ų | 79.1 | 81% | 0.811 | 37% | 0.366 | S | S | * | . | trans | -84.5 | 102.8 | 172.7 | -76.1 | 179.7 | 170.6 | 171.9 | -3.4 | 110 | R1323 | R1323-R1325 PolarHBondContact O-N 3.03Š| ||
| 1326 | N | 40 | Very low | 61.6 | Low | 73 Ų | 73 | 74.5 Ų | 74.5 | 39% | 0.39 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 42.6 | 91.4 | 162.1 | -59.8 | -56.4 | 0 | 0 | 0 | 116.3 | A1324 R1527 | A1324-N1326 PolarHBondContact O-N 2.84Å; N1326-R1527 PolarHBondContact OD1-NE 3.12Å; N1326-R1527 PolarHBondContact OD1-NH2 2.77Å |
| 1327 | R | 46.5 | Very low | 61.5 | Low | 104 Ų | 104 | 75.6 Ų | 75.6 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -148 | -70.2 | 148.2 | -100.3 | 139 | -125.9 | -154.6 | -4.1 | 114.6 | E1333 L1526 Q1536 | R1327-E1333 IonicContact CZ-OE2 3.65Å; R1327-E1333 IonicContact NH1-OE2 3.41Å; R1327-E1333 PolarHBondContact NH1-OE2 3.42Å; R1327-L1526 VanDerWaalsContact C-CD2 3.41Å; R1327-L1526 HydrophobicContact CB-CD2 3.86Å; R1327-L1526 HydrophobicContact CG-CD1 4.31Å; R1327-L1526 HydrophobicContact CG-CD2 3.84Å; R1327-L1526 WeakPolarHBondContact O-CA 3.46Å; R1327-L1526 VanDerWaalsContact O-CB 3.29Å; R1327-L1526 WeakPolarHBondContact O-CB 3.4Å; R1327-L1526 WeakPolarHBondContact O-CD2 3.17Å; R1327-Q1536 HydrophobicContact CB-CG 3.86Å |
| 1328 | I | 50 | Low | 61.9 | Low | 5 Ų | 5 | 73.8 Ų | 73.8 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -64.3 | 150.2 | 149.3 | -75.2 | 167.2 | 0 | 0 | 0 | 105.4 | N1330 G1331 Q1536 F1538 | I1328-N1330 PolarHBondContact O-N 3.3Å; I1328-G1331 PolarHBondContact O-N 2.84Å; I1328-Q1536 HydrophobicContact CB-CB 4.38Å; I1328-Q1536 HydrophobicContact CD1-CB 3.59Å; I1328-Q1536 HydrophobicContact CG1-CB 3.59Å; I1328-Q1536 HydrophobicContact CG1-CG 4.26Å; I1328-F1538 HydrophobicContact CD1-CD1 3.91Å; I1328-F1538 HydrophobicContact CD1-CE1 4.39Å; I1328-F1538 HydrophobicContact CG2-CD1 3.94Å; I1328-F1538 HydrophobicContact CG2-CE1 4.35Å |
| 1329 | S | 45.7 | Very low | 62.7 | Low | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 113.2 | 177 | 37.6 | 0 | 0 | 0 | 0 | 108.2 | G1331 N1566 T1567 R1570 | S1329-G1331 PolarHBondContact O-N 2.6Å; S1329-N1566 CarbonylContact C-O 3.52Å; S1329-N1566 WeakPolarHBondContact CB-O 3.46Å; S1329-N1566 CarbonylContact O-C 3.52Å; S1329-N1566 PolarHBondContact OG-O 2.97Å; S1329-T1567 VanDerWaalsContact O-CA 3.32Å; S1329-T1567 WeakPolarHBondContact O-CA 3.02Å; S1329-R1570 PolarHBondContact OG-NE 2.78Å; S1329-R1570 VanDerWaalsContact OG-NE 3.15Å; S1329-R1570 PolarHBondContact OG-NH2 3.3Å |
| 1330 | N | 49.1 | Very low | 64.3 | Low | 65 Ų | 65 | 68.6 Ų | 68.6 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 13.2 | -167.1 | -69.6 | -25.2 | 0 | 0 | 0 | 118 | I1328 K1565 T1567 | I1328-N1330 PolarHBondContact O-N 3.3Å; N1330-K1565 PolarHBondContact ND2-O 3.08Å; N1330-T1567 HydrophobicContact CB-CG2 3.45Å; N1330-T1567 VanDerWaalsContact CB-CG2 3.45Å |
| 1331 | G | 62.6 | Low | 66.4 | Low | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | trans | -94.6 | 172.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1328 S1329 | I1328-G1331 PolarHBondContact O-N 2.84Å; S1329-G1331 PolarHBondContact O-N 2.6Å | ||
| 1332 | L | 79.4 | Confident | 68.6 | Low | 30 Ų | 30 | 54.5 Ų | 54.5 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.2 | -170.7 | 57.9 | 98.1 | 0 | 0 | 0 | 112.4 | I1317 A1324 A1334 Q1536 Q1537 | I1317-L1332 HydrophobicContact CB-CD1 3.92Å; I1317-L1332 HydrophobicContact CD1-CD1 3.64Å; I1317-L1332 HydrophobicContact CG1-CD1 4.36Å; I1317-L1332 HydrophobicContact CG2-CD1 4.02Å; I1317-L1332 HydrophobicContact CG2-CD2 4.23Å; A1324-L1332 HydrophobicContact CB-CB 3.96Å; L1332-A1334 PolarHBondContact O-N 3.03Å; L1332-Q1536 VanDerWaalsContact C-OE1 3.26Å; L1332-Q1536 WeakPolarHBondContact O-CA 3.49Å; L1332-Q1536 PolarHBondContact O-OE1 3.42Å; L1332-Q1537 HydrophobicContact CD1-CG 3.59Å; L1332-Q1537 HydrophobicContact CG-CG 4.19Å; L1332-Q1537 PolarHBondContact N-O 2.77Å; L1332-Q1537 PolarHBondContact O-N 2.79Å |
| 1333 | E | 83.9 | Confident | 71.2 | Confident | 56 Ų | 56 | 49.1 Ų | 49.1 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127.5 | 175.5 | -173.8 | 174.1 | 143.4 | 0 | 0 | 109.1 | R1327 H1453 K1534 Q1536 | R1327-E1333 IonicContact CZ-OE2 3.65Å; R1327-E1333 IonicContact NH1-OE2 3.41Å; R1327-E1333 PolarHBondContact NH1-OE2 3.42Å; E1333-H1453 IonicContact OE1-NE2 2.67Å; E1333-H1453 PolarHBondContact OE1-NE2 2.89Å; E1333-K1534 HydrophobicContact CG-CB 4.38Å; E1333-K1534 HydrophobicContact CG-CD 4.31Å; E1333-K1534 WeakPolarHBondContact OE1-CD 3.3Å; E1333-K1534 IonicContact OE1-NZ 2.62Å; E1333-K1534 PolarHBondContact OE1-NZ 2.61Å; E1333-K1534 VanDerWaalsContact OE2-CD 3.28Å; E1333-K1534 WeakPolarHBondContact OE2-CD 3.17Å; E1333-K1534 IonicContact OE2-NZ 2.7Å; E1333-K1534 PolarHBondContact OE2-NZ 3.4Å; E1333-Q1536 VanDerWaalsContact N-OE1 3.14Å |
| 1334 | A | 88.2 | Confident | 73.7 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 143.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1332 V1336 H1453 L1535 Q1537 | L1332-A1334 PolarHBondContact O-N 3.03Å; A1334-V1336 PolarHBondContact O-N 2.92Å; A1334-H1453 PolarHBondContact O-CE1 3.14Å; A1334-L1535 HydrophobicContact CB-CB 4.32Å; A1334-L1535 HydrophobicContact CB-CD2 4.21Å; A1334-L1535 HydrophobicContact CB-CG 3.99Å; A1334-L1535 PolarHBondContact N-O 2.8Å; A1334-Q1537 HydrophobicContact CB-CB 4.38Å; A1334-Q1537 HydrophobicContact CB-CG 4.28Å |
| 1335 | K | 87.1 | Confident | 76.3 | Confident | 114 Ų | 114 | 37.1 Ų | 37.1 | 50% | 0.496 | 17% | 0.168 | S | C | . | . | P | Polyproline II helix | trans | -57.5 | 130.8 | 165.3 | -179.5 | 174 | -178.1 | 176.2 | 0 | 107.4 | I1317 H1337 S1338 | I1317-K1335 HydrophobicContact CD1-CB 4.33Å; I1317-K1335 HydrophobicContact CG1-CB 4.5Å; K1335-H1337 PolarHBondContact O-N 3.27Å; K1335-S1338 PolarHBondContact N-OG 3.06Å; K1335-S1338 VanDerWaalsContact O-CB 3.24Å; K1335-S1338 WeakPolarHBondContact O-CB 3.48Å; K1335-S1338 PolarHBondContact O-N 3.4Å; K1335-S1338 PolarHBondContact O-OG 2.04Å |
| 1336 | V | 86.2 | Confident | 78.6 | Confident | 50 Ų | 50 | 28 Ų | 28 | 30% | 0.303 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 130.2 | -175.4 | -168.2 | 0 | 0 | 0 | 0 | 109.3 | A1334 S1338 H1453 | A1334-V1336 PolarHBondContact O-N 2.92Å; V1336-S1338 PolarHBondContact O-N 3.09Å; V1336-S1338 VanDerWaalsContact O-N 3.16Å; V1336-H1453 HydrophobicContact CG1-CB 3.81Å |
| 1337 | H | 85.6 | Confident | 80.7 | Confident | 37 Ų | 37 | 24.9 Ų | 24.9 | 17% | 0.171 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 15 | -176.2 | -48.2 | -57.4 | 0 | 0 | 0 | 116.7 | F1314 K1335 H1339 G1451 V1498 | F1314-H1337 HydrophobicContact CD2-CB 3.77Å; F1314-H1337 HydrophobicContact CE2-CB 4.12Å; K1335-H1337 PolarHBondContact O-N 3.27Å; H1337-H1339 VanDerWaalsContact C-N 3.27Å; H1337-H1339 PolarHBondContact O-N 3.42Å; H1337-G1451 PolarHBondContact CE1-O 3.36Å; H1337-G1451 PolarHBondContact ND1-O 2.99Å; H1337-V1498 HydrophobicContact CB-CB 3.79Å; H1337-V1498 HydrophobicContact CB-CG1 3.6Å |
| 1338 | S | 91.6 | Very high | 82.1 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -73.4 | -14.2 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 115.7 | F1314 P1316 K1335 V1336 P1340 Q1537 | F1314-S1338 WeakPolarHBondContact O-CA 3.36Å; F1314-S1338 WeakPolarHBondContact O-CB 3.16Å; P1316-S1338 WeakPolarHBondContact CG-O 3.32Å; K1335-S1338 PolarHBondContact N-OG 3.06Å; K1335-S1338 VanDerWaalsContact O-CB 3.24Å; K1335-S1338 WeakPolarHBondContact O-CB 3.48Å; K1335-S1338 PolarHBondContact O-N 3.4Å; K1335-S1338 PolarHBondContact O-OG 2.04Å; V1336-S1338 PolarHBondContact O-N 3.09Å; V1336-S1338 VanDerWaalsContact O-N 3.16Å; S1338-P1340 VanDerWaalsContact C-CD 3.45Å; S1338-P1340 WeakPolarHBondContact O-CD 3.4Å; S1338-Q1537 PolarHBondContact OG-NE2 2.98Å |
| 1339 | H | 94.4 | Very high | 82.7 | Confident | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | trans | -121 | 72.5 | 175.4 | -70 | -93.1 | 0 | 0 | 0 | 109.3 | H1337 W1341 Q1342 T1521 L1535 Q1537 | H1337-H1339 VanDerWaalsContact C-N 3.27Å; H1337-H1339 PolarHBondContact O-N 3.42Å; H1339-W1341 AromaticContact ND1-CE2 3.98Å; H1339-W1341 AromaticContact ND1-CZ2 3.76Å; H1339-W1341 AromaticContact ND1-NE1 3.71Å; H1339-W1341 PolarHBondContact O-N 2.9Å; H1339-Q1342 HydrophobicContact CB-CB 4.21Å; H1339-Q1342 VanDerWaalsContact O-CB 3.29Å; H1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; H1339-Q1342 PolarHBondContact O-N 3.08Å; H1339-T1521 HydrophobicContact CB-CG2 4.48Å; H1339-L1535 HydrophobicContact CB-CD2 4.26Å; H1339-Q1537 PolarHBondContact CD2-NE2 2.75Å; H1339-Q1537 PolarHBondContact NE2-NE2 3.32Å; H1339-Q1537 PolarHBondContact NE2-OE1 3.25Å | ||
| 1340 | P | 93.8 | Very high | 83 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -13.8 | -170.3 | 29.9 | -37.8 | 0 | 0 | 0 | 114 | P1312 S1338 V1498 I1499 Q1500 | P1312-P1340 HydrophobicContact CB-CG 3.83Å; S1338-P1340 VanDerWaalsContact C-CD 3.45Å; S1338-P1340 WeakPolarHBondContact O-CD 3.4Å; P1340-V1498 WeakPolarHBondContact CA-O 3.43Å; P1340-V1498 WeakPolarHBondContact CB-O 3.17Å; P1340-I1499 WeakPolarHBondContact O-CA 3.44Å; P1340-Q1500 CarbonylContact C-O 3.59Å; P1340-Q1500 HydrophobicContact CB-CB 3.97Å; P1340-Q1500 HydrophobicContact CB-CG 4.01Å; P1340-Q1500 HydrophobicContact CG-CB 3.86Å; P1340-Q1500 HydrophobicContact CG-CG 4.06Å; P1340-Q1500 PolarHBondContact O-N 3.3Å; P1340-Q1500 VanDerWaalsContact O-N 3.14Å |
| 1341 | W | 96.1 | Very high | 83 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -15.2 | 171.2 | 44.1 | 81.4 | 0 | 0 | 0 | 113.8 | P1312 H1339 A1343 S1359 L1360 Q1500 V1502 V1579 F1586 | P1312-W1341 HydrophobicContact CB-CH2 4.11Å; P1312-W1341 HydrophobicContact CB-CZ3 4.08Å; P1312-W1341 HydrophobicContact CG-CH2 3.77Å; P1312-W1341 HydrophobicContact CG-CZ3 4.13Å; H1339-W1341 AromaticContact ND1-CE2 3.98Å; H1339-W1341 AromaticContact ND1-CZ2 3.76Å; H1339-W1341 AromaticContact ND1-NE1 3.71Å; H1339-W1341 PolarHBondContact O-N 2.9Å; W1341-A1343 PolarHBondContact O-N 2.94Å; W1341-S1359 CarbonylContact O-C 3.51Å; W1341-S1359 VanDerWaalsContact O-CA 3.29Å; W1341-S1359 WeakPolarHBondContact O-CA 3.43Å; W1341-L1360 PolarHBondContact O-N 2.68Å; W1341-Q1500 WeakPolarHBondContact CA-O 3.44Å; W1341-Q1500 VanDerWaalsContact CB-O 3.3Å; W1341-Q1500 WeakPolarHBondContact CB-O 3.26Å; W1341-Q1500 PolarHBondContact N-O 2.78Å; W1341-V1502 HydrophobicContact CB-CB 3.89Å; W1341-V1502 HydrophobicContact CB-CG1 4.31Å; W1341-V1502 HydrophobicContact CD2-CB 3.9Å; W1341-V1502 HydrophobicContact CD2-CG2 4.28Å; W1341-V1502 HydrophobicContact CE3-CB 4.16Å; W1341-V1502 HydrophobicContact CG-CB 3.77Å; W1341-V1502 HydrophobicContact CG-CG1 4.45Å; W1341-V1502 HydrophobicContact CG-CG2 4.49Å; W1341-V1579 HydrophobicContact CZ2-CG2 4.25Å; W1341-F1586 HydrophobicContact CH2-CB 3.64Å; W1341-F1586 AromaticContact CH2-CD2 3.68Å; W1341-F1586 HydrophobicContact CH2-CD2 3.68Å; W1341-F1586 AromaticContact CH2-CG 3.77Å; W1341-F1586 HydrophobicContact CH2-CG 3.77Å; W1341-F1586 HydrophobicContact CZ2-CB 3.98Å; W1341-F1586 HydrophobicContact CZ2-CD2 4.29Å; W1341-F1586 HydrophobicContact CZ2-CG 4.05Å; W1341-F1586 HydrophobicContact CZ3-CB 4.33Å |
| 1342 | Q | 96.3 | Very high | 82.5 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 122.7 | -172.2 | -178.8 | 68.8 | 56.8 | 0 | 0 | 111.4 | H1339 G1358 T1521 W1523 L1535 | H1339-Q1342 HydrophobicContact CB-CB 4.21Å; H1339-Q1342 VanDerWaalsContact O-CB 3.29Å; H1339-Q1342 WeakPolarHBondContact O-CB 3.2Å; H1339-Q1342 PolarHBondContact O-N 3.08Å; Q1342-G1358 PolarHBondContact NE2-O 3.19Å; Q1342-T1521 PolarHBondContact OE1-O 2.82Å; Q1342-T1521 PolarHBondContact OE1-OG1 3.36Å; Q1342-W1523 HydrophobicContact CB-CH2 4.46Å; Q1342-W1523 HydrophobicContact CG-CE3 4.49Å; Q1342-W1523 HydrophobicContact CG-CH2 3.4Å; Q1342-W1523 VanDerWaalsContact CG-CH2 3.4Å; Q1342-W1523 HydrophobicContact CG-CZ2 4.45Å; Q1342-W1523 HydrophobicContact CG-CZ3 3.42Å; Q1342-W1523 VanDerWaalsContact CG-CZ3 3.42Å; Q1342-L1535 HydrophobicContact CB-CD2 4.19Å; Q1342-L1535 HydrophobicContact CG-CD1 3.81Å; Q1342-L1535 HydrophobicContact CG-CD2 4.03Å |
| 1343 | A | 95.5 | Very high | 81.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 143.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1341 G1358 I1372 V1448 F1449 L1450 | W1341-A1343 PolarHBondContact O-N 2.94Å; A1343-G1358 PolarHBondContact N-O 3.2Å; A1343-G1358 PolarHBondContact O-N 2.96Å; A1343-I1372 HydrophobicContact CB-CD1 4.16Å; A1343-I1372 HydrophobicContact CB-CG2 3.95Å; A1343-V1448 HydrophobicContact CB-CG1 3.94Å; A1343-F1449 WeakPolarHBondContact CA-O 3.34Å; A1343-L1450 HydrophobicContact CB-CD2 3.74Å |
| 1344 | F | 94.2 | Very high | 80.9 | Confident | 13 Ų | 13 | 45 Ų | 45 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 119.7 | 166.1 | 179.1 | -94.2 | 0 | 0 | 0 | 108.5 | H1346 F1355 V1448 F1449 V1452 Y1455 W1523 | F1344-H1346 HydrophobicContact CE1-CB 4.11Å; F1344-F1355 AromaticContact CE1-CD1 3.68Å; F1344-F1355 HydrophobicContact CE1-CD1 3.68Å; F1344-F1355 HydrophobicContact CE1-CE1 4.02Å; F1344-F1355 HydrophobicContact CE2-CB 4.15Å; F1344-F1355 HydrophobicContact CE2-CD1 4.21Å; F1344-F1355 HydrophobicContact CE2-CG 4.29Å; F1344-F1355 HydrophobicContact CZ-CB 4.03Å; F1344-F1355 AromaticContact CZ-CD1 3.27Å; F1344-F1355 HydrophobicContact CZ-CD1 3.27Å; F1344-F1355 AromaticContact CZ-CE1 3.69Å; F1344-F1355 HydrophobicContact CZ-CE1 3.69Å; F1344-F1355 AromaticContact CZ-CG 3.75Å; F1344-F1355 HydrophobicContact CZ-CG 3.75Å; F1344-F1355 HydrophobicContact CZ-CZ 4.47Å; F1344-V1448 CarbonylContact O-C 3.52Å; F1344-F1449 HydrophobicContact CB-CB 4.29Å; F1344-F1449 AromaticContact CD1-CD2 3.88Å; F1344-F1449 HydrophobicContact CD1-CD2 3.88Å; F1344-F1449 HydrophobicContact CD1-CE2 4.46Å; F1344-F1449 HydrophobicContact CD1-CG 4.47Å; F1344-F1449 PolarHBondContact N-O 2.85Å; F1344-F1449 PolarHBondContact O-N 3.37Å; F1344-V1452 HydrophobicContact CB-CG1 4.26Å; F1344-Y1455 HydrophobicContact CD2-CD1 4.35Å; F1344-Y1455 AromaticContact CE2-CD1 3.78Å; F1344-Y1455 HydrophobicContact CE2-CD1 3.78Å; F1344-Y1455 HydrophobicContact CE2-CE1 4.09Å; F1344-Y1455 HydrophobicContact CE2-CG 4.23Å; F1344-Y1455 HydrophobicContact CZ-CD1 4.07Å; F1344-Y1455 HydrophobicContact CZ-CD2 4.4Å; F1344-Y1455 HydrophobicContact CZ-CE1 4.36Å; F1344-Y1455 HydrophobicContact CZ-CG 4.11Å; F1344-W1523 HydrophobicContact CB-CE3 4.07Å; F1344-W1523 HydrophobicContact CB-CH2 3.95Å; F1344-W1523 HydrophobicContact CB-CZ3 3.65Å; F1344-W1523 HydrophobicContact CD2-CB 4.36Å; F1344-W1523 AromaticContact CD2-CD2 3.91Å; F1344-W1523 HydrophobicContact CD2-CD2 3.91Å; F1344-W1523 AromaticContact CD2-CE3 3.65Å; F1344-W1523 HydrophobicContact CD2-CE3 3.65Å; F1344-W1523 HydrophobicContact CD2-CG 4.25Å; F1344-W1523 HydrophobicContact CD2-CZ3 4.14Å; F1344-W1523 HydrophobicContact CE2-CB 4.3Å; F1344-W1523 HydrophobicContact CG-CE3 4.35Å; F1344-W1523 HydrophobicContact CG-CZ3 4.41Å |
| 1345 | I | 93.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.5 | -177.3 | -56 | 169.3 | 0 | 0 | 0 | 108.2 | L1347 F1355 C1356 G1357 I1372 T1374 V1446 V1448 I1487 | I1345-L1347 HydrophobicContact CG2-CD2 4.3Å; I1345-F1355 VanDerWaalsContact O-CA 3.27Å; I1345-F1355 WeakPolarHBondContact O-CA 3.42Å; I1345-C1356 HydrophobicContact CB-CB 4.36Å; I1345-C1356 PolarHBondContact N-O 3.04Å; I1345-C1356 PolarHBondContact O-N 2.98Å; I1345-G1357 WeakPolarHBondContact CD1-O 3.27Å; I1345-I1372 HydrophobicContact CD1-CG2 4.23Å; I1345-T1374 HydrophobicContact CD1-CG2 3.89Å; I1345-T1374 WeakPolarHBondContact CD1-OG1 3.41Å; I1345-V1446 HydrophobicContact CG2-CG1 3.92Å; I1345-V1448 HydrophobicContact CG1-CG2 4.46Å; I1345-I1487 HydrophobicContact CD1-CD1 3.67Å; I1345-I1487 HydrophobicContact CG1-CD1 4.26Å; I1345-I1487 HydrophobicContact CG2-CD1 4.22Å |
| 1346 | H | 90 | Very high | 80.9 | Confident | 24 Ų | 24 | 42 Ų | 42 | 11% | 0.111 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 125.6 | -178.7 | 174.7 | -148 | 0 | 0 | 0 | 109.9 | F1344 F1353 F1355 T1447 F1449 | F1344-H1346 HydrophobicContact CE1-CB 4.11Å; H1346-F1353 AromaticContact CD2-CE1 3.86Å; H1346-F1353 AromaticContact CE1-CE1 3.97Å; H1346-F1353 AromaticContact CE1-CZ 3.73Å; H1346-F1353 AromaticContact NE2-CD1 3.88Å; H1346-F1353 AromaticContact NE2-CE1 3.11Å; H1346-F1353 WeakPolarHBondContact NE2-CE1 3.29Å; H1346-F1353 AromaticContact NE2-CE2 3.9Å; H1346-F1353 AromaticContact NE2-CZ 3.13Å; H1346-F1353 WeakPolarHBondContact NE2-CZ 3.45Å; H1346-F1355 HydrophobicContact CB-CD1 4.11Å; H1346-F1355 HydrophobicContact CB-CE1 4.44Å; H1346-F1355 AromaticContact CD2-CD1 3.63Å; H1346-F1355 AromaticContact CD2-CE1 3.43Å; H1346-F1355 VanDerWaalsContact CD2-CE1 3.43Å; H1346-F1355 WeakPolarHBondContact CD2-CE1 3.37Å; H1346-F1355 AromaticContact CG-CE1 3.96Å; H1346-F1355 AromaticContact NE2-CE1 3.94Å; H1346-T1447 PolarHBondContact N-O 2.96Å; H1346-T1447 PolarHBondContact O-N 2.88Å; H1346-F1449 HydrophobicContact CB-CE2 4.03Å |
| 1347 | L | 84.7 | Confident | 81.2 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.2 | -178.3 | -57.4 | 174.6 | 0 | 0 | 0 | 109.6 | I1345 K1354 C1378 L1379 V1441 V1446 | I1345-L1347 HydrophobicContact CG2-CD2 4.3Å; L1347-K1354 HydrophobicContact CB-CB 4.37Å; L1347-K1354 HydrophobicContact CD1-CB 4.19Å; L1347-K1354 HydrophobicContact CD1-CD 3.91Å; L1347-K1354 HydrophobicContact CD1-CG 4.09Å; L1347-K1354 PolarHBondContact N-O 2.8Å; L1347-C1378 WeakPolarHBondContact CD1-O 3.42Å; L1347-L1379 HydrophobicContact CD2-CD2 4.24Å; L1347-V1441 HydrophobicContact CD2-CG2 4.19Å; L1347-V1446 HydrophobicContact CD2-CB 4.08Å; L1347-V1446 HydrophobicContact CD2-CG1 3.92Å; L1347-V1446 HydrophobicContact CD2-CG2 3.67Å |
| 1348 | K | 75.8 | Confident | 81.6 | Confident | 129 Ų | 129 | 37.9 Ų | 37.9 | 56% | 0.561 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 91.7 | 175.4 | -74.2 | -175.2 | 170.2 | -169.2 | 0 | 110.5 | S1445 | K1348-S1445 PolarHBondContact N-O 2.96Å |
| 1349 | H | 61.9 | Low | 81.9 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 29% | 0.292 | 19% | 0.192 | S | C | . | . | trans | -107 | 141 | 166.7 | -156.9 | -95.3 | 0 | 0 | 0 | 110.3 | T1351 I1352 D1381 L1383 | H1349-T1351 PolarHBondContact ND1-OG1 3.23Å; H1349-T1351 VanDerWaalsContact ND1-OG1 3.08Å; H1349-T1351 PolarHBondContact O-N 3.02Å; H1349-T1351 VanDerWaalsContact O-N 3.08Å; H1349-I1352 WeakPolarHBondContact CB-O 3.31Å; H1349-D1381 IonicContact NE2-OD2 3.55Å; H1349-L1383 WeakPolarHBondContact CE1-CD1 3.35Å; H1349-L1383 WeakPolarHBondContact ND1-CD1 3.29Å | ||
| 1350 | P | 52.7 | Low | 82 | Confident | 124 Ų | 124 | 37.6 Ų | 37.6 | 81% | 0.805 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -55.2 | -26.8 | -178.3 | 17 | -32.7 | 0 | 0 | 0 | 115.1 | ||
| 1351 | T | 49.9 | Very low | 82.1 | Confident | 101 Ų | 101 | 37.4 Ų | 37.4 | 62% | 0.62 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -114 | -19.8 | -174.7 | 48.5 | 0 | 0 | 0 | 0 | 114.8 | H1349 L1383 | H1349-T1351 PolarHBondContact ND1-OG1 3.23Å; H1349-T1351 VanDerWaalsContact ND1-OG1 3.08Å; H1349-T1351 PolarHBondContact O-N 3.02Å; H1349-T1351 VanDerWaalsContact O-N 3.08Å; T1351-L1383 WeakPolarHBondContact OG1-CD1 3.49Å |
| 1352 | I | 51 | Low | 81.9 | Confident | 74 Ų | 74 | 38.8 Ų | 38.8 | 38% | 0.379 | 20% | 0.196 | S | C | . | . | trans | -134.4 | 120.4 | -175.2 | -59.3 | -179.7 | 0 | 0 | 0 | 110.8 | H1349 K1354 L1383 | H1349-I1352 WeakPolarHBondContact CB-O 3.31Å; I1352-K1354 HydrophobicContact CG2-CB 4.43Å; I1352-L1383 HydrophobicContact CD1-CD1 3.89Å; I1352-L1383 HydrophobicContact CD1-CD2 3.93Å; I1352-L1383 HydrophobicContact CD1-CG 3.8Å; I1352-L1383 HydrophobicContact CG1-CD1 4.2Å | ||
| 1353 | F | 54.9 | Low | 81.3 | Confident | 142 Ų | 142 | 42.5 Ų | 42.5 | 62% | 0.623 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.3 | 171 | -133.3 | -95.8 | 0 | 0 | 0 | 109.8 | H1346 F1355 | H1346-F1353 AromaticContact CD2-CE1 3.86Å; H1346-F1353 AromaticContact CE1-CE1 3.97Å; H1346-F1353 AromaticContact CE1-CZ 3.73Å; H1346-F1353 AromaticContact NE2-CD1 3.88Å; H1346-F1353 AromaticContact NE2-CE1 3.11Å; H1346-F1353 WeakPolarHBondContact NE2-CE1 3.29Å; H1346-F1353 AromaticContact NE2-CE2 3.9Å; H1346-F1353 AromaticContact NE2-CZ 3.13Å; H1346-F1353 WeakPolarHBondContact NE2-CZ 3.45Å; F1353-F1355 AromaticContact CD1-CE1 3.89Å; F1353-F1355 HydrophobicContact CD1-CE1 3.89Å; F1353-F1355 AromaticContact CD1-CE2 3.9Å; F1353-F1355 HydrophobicContact CD1-CE2 3.9Å; F1353-F1355 AromaticContact CD1-CZ 3.42Å; F1353-F1355 HydrophobicContact CD1-CZ 3.42Å; F1353-F1355 VanDerWaalsContact CD1-CZ 3.42Å; F1353-F1355 AromaticContact CE1-CE1 3.63Å; F1353-F1355 HydrophobicContact CE1-CE1 3.63Å; F1353-F1355 HydrophobicContact CE1-CE2 4.29Å; F1353-F1355 AromaticContact CE1-CZ 3.37Å; F1353-F1355 HydrophobicContact CE1-CZ 3.37Å |
| 1354 | K | 74.1 | Confident | 80.3 | Confident | 51 Ų | 51 | 45.4 Ų | 45.4 | 22% | 0.222 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.6 | -176.6 | -173.4 | 177.1 | 173.2 | -163.9 | 0 | 110.5 | L1347 I1352 H1377 C1378 I1380 | L1347-K1354 HydrophobicContact CB-CB 4.37Å; L1347-K1354 HydrophobicContact CD1-CB 4.19Å; L1347-K1354 HydrophobicContact CD1-CD 3.91Å; L1347-K1354 HydrophobicContact CD1-CG 4.09Å; L1347-K1354 PolarHBondContact N-O 2.8Å; I1352-K1354 HydrophobicContact CG2-CB 4.43Å; K1354-H1377 PolarHBondContact NZ-O 3.5Å; K1354-C1378 WeakPolarHBondContact CE-O 3.28Å; K1354-C1378 PolarHBondContact NZ-O 3.47Å; K1354-I1380 PolarHBondContact NZ-O 3.2Å |
| 1355 | F | 85.3 | Confident | 79.2 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145 | 174.6 | -47.9 | -77.3 | 0 | 0 | 0 | 110 | F1344 I1345 H1346 F1353 | F1344-F1355 AromaticContact CE1-CD1 3.68Å; F1344-F1355 HydrophobicContact CE1-CD1 3.68Å; F1344-F1355 HydrophobicContact CE1-CE1 4.02Å; F1344-F1355 HydrophobicContact CE2-CB 4.15Å; F1344-F1355 HydrophobicContact CE2-CD1 4.21Å; F1344-F1355 HydrophobicContact CE2-CG 4.29Å; F1344-F1355 HydrophobicContact CZ-CB 4.03Å; F1344-F1355 AromaticContact CZ-CD1 3.27Å; F1344-F1355 HydrophobicContact CZ-CD1 3.27Å; F1344-F1355 AromaticContact CZ-CE1 3.69Å; F1344-F1355 HydrophobicContact CZ-CE1 3.69Å; F1344-F1355 AromaticContact CZ-CG 3.75Å; F1344-F1355 HydrophobicContact CZ-CG 3.75Å; F1344-F1355 HydrophobicContact CZ-CZ 4.47Å; I1345-F1355 VanDerWaalsContact O-CA 3.27Å; I1345-F1355 WeakPolarHBondContact O-CA 3.42Å; H1346-F1355 HydrophobicContact CB-CD1 4.11Å; H1346-F1355 HydrophobicContact CB-CE1 4.44Å; H1346-F1355 AromaticContact CD2-CD1 3.63Å; H1346-F1355 AromaticContact CD2-CE1 3.43Å; H1346-F1355 VanDerWaalsContact CD2-CE1 3.43Å; H1346-F1355 WeakPolarHBondContact CD2-CE1 3.37Å; H1346-F1355 AromaticContact CG-CE1 3.96Å; H1346-F1355 AromaticContact NE2-CE1 3.94Å; F1353-F1355 AromaticContact CD1-CE1 3.89Å; F1353-F1355 HydrophobicContact CD1-CE1 3.89Å; F1353-F1355 AromaticContact CD1-CE2 3.9Å; F1353-F1355 HydrophobicContact CD1-CE2 3.9Å; F1353-F1355 AromaticContact CD1-CZ 3.42Å; F1353-F1355 HydrophobicContact CD1-CZ 3.42Å; F1353-F1355 VanDerWaalsContact CD1-CZ 3.42Å; F1353-F1355 AromaticContact CE1-CE1 3.63Å; F1353-F1355 HydrophobicContact CE1-CE1 3.63Å; F1353-F1355 HydrophobicContact CE1-CE2 4.29Å; F1353-F1355 AromaticContact CE1-CZ 3.37Å; F1353-F1355 HydrophobicContact CE1-CZ 3.37Å |
| 1356 | C | 90.3 | Very high | 78.3 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 162.1 | 174.2 | -81.4 | 0 | 0 | 0 | 0 | 111.5 | I1345 C1378 S1574 | I1345-C1356 HydrophobicContact CB-CB 4.36Å; I1345-C1356 PolarHBondContact N-O 3.04Å; I1345-C1356 PolarHBondContact O-N 2.98Å; C1356-C1378 HydrophobicContact CB-CB 3.74Å; C1356-C1378 WeakPolarHBondContact CB-SG 3.31Å; C1356-C1378 WeakPolarHBondContact SG-CB 3.3Å; C1356-C1378 CovalentContact SG-SG 2.03Å; C1356-C1378 PolarHBondContact SG-SG 3.26Å; C1356-S1574 WeakPolarHBondContact CB-O 3.12Å |
| 1357 | G | 92.3 | Very high | 78 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 160.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1345 T1374 S1574 G1575 | I1345-G1357 WeakPolarHBondContact CD1-O 3.27Å; G1357-T1374 PolarHBondContact O-OG1 3.32Å; G1357-S1574 PolarHBondContact N-O 3.47Å; G1357-G1575 CarbonylContact C-O 3.57Å; G1357-G1575 CarbonylContact O-C 3.46Å; G1357-G1575 WeakPolarHBondContact O-CA 3.3Å |
| 1358 | G | 95.8 | Very high | 78.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -176.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1342 A1343 L1373 G1575 | Q1342-G1358 PolarHBondContact NE2-O 3.19Å; A1343-G1358 PolarHBondContact N-O 3.2Å; A1343-G1358 PolarHBondContact O-N 2.96Å; G1358-L1373 CarbonylContact C-O 3.56Å; G1358-L1373 WeakPolarHBondContact CA-O 3.19Å; G1358-G1575 WeakPolarHBondContact CA-O 3.48Å |
| 1359 | S | 97.2 | Very high | 78.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 132.3 | 174.6 | -71.8 | 0 | 0 | 0 | 0 | 113.3 | W1341 I1361 I1372 L1373 P1577 | W1341-S1359 CarbonylContact O-C 3.51Å; W1341-S1359 VanDerWaalsContact O-CA 3.29Å; W1341-S1359 WeakPolarHBondContact O-CA 3.43Å; S1359-I1361 PolarHBondContact O-N 3.26Å; S1359-I1372 CarbonylContact O-C 3.56Å; S1359-I1372 WeakPolarHBondContact O-CA 3.5Å; S1359-L1373 PolarHBondContact N-O 2.8Å; S1359-L1373 PolarHBondContact O-N 2.79Å; S1359-P1577 VanDerWaalsContact OG-CB 3.26Å; S1359-P1577 WeakPolarHBondContact OG-CB 3.42Å; S1359-P1577 WeakPolarHBondContact OG-CD 3.48Å; S1359-P1577 WeakPolarHBondContact OG-CG 3.32Å |
| 1360 | L | 97.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 118.1 | 167 | -171.3 | 70.8 | 0 | 0 | 0 | 108.5 | W1341 I1372 L1450 L1489 Y1495 I1499 G1501 V1502 | W1341-L1360 PolarHBondContact O-N 2.68Å; L1360-I1372 HydrophobicContact CB-CD1 4.03Å; L1360-I1372 HydrophobicContact CD1-CD1 3.73Å; L1360-L1450 HydrophobicContact CB-CD2 4.22Å; L1360-L1450 HydrophobicContact CD1-CD1 4.24Å; L1360-L1450 HydrophobicContact CD2-CD1 4.34Å; L1360-L1489 HydrophobicContact CD1-CD1 4.45Å; L1360-Y1495 HydrophobicContact CD2-CD1 4.43Å; L1360-Y1495 HydrophobicContact CD2-CE1 4.02Å; L1360-I1499 HydrophobicContact CD2-CG2 3.68Å; L1360-G1501 WeakPolarHBondContact O-CA 3.37Å; L1360-V1502 PolarHBondContact O-N 2.77Å |
| 1361 | I | 95.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.7 | 179.6 | 56.4 | 169.2 | 0 | 0 | 0 | 110.7 | S1359 S1369 L1371 L1373 L1486 V1502 L1504 | S1359-I1361 PolarHBondContact O-N 3.26Å; I1361-S1369 VanDerWaalsContact O-CB 3.26Å; I1361-S1369 WeakPolarHBondContact O-CB 3.24Å; I1361-S1369 PolarHBondContact O-OG 2.97Å; I1361-L1371 HydrophobicContact CD1-CB 4.06Å; I1361-L1371 HydrophobicContact CD1-CD1 4.43Å; I1361-L1371 HydrophobicContact CG1-CB 3.78Å; I1361-L1371 WeakPolarHBondContact CG1-O 3.07Å; I1361-L1371 PolarHBondContact N-O 2.8Å; I1361-L1371 VanDerWaalsContact N-O 3.11Å; I1361-L1373 HydrophobicContact CG2-CB 3.74Å; I1361-L1373 HydrophobicContact CG2-CD2 4.18Å; I1361-L1486 HydrophobicContact CD1-CD2 3.76Å; I1361-V1502 HydrophobicContact CG2-CG1 4.16Å; I1361-L1504 HydrophobicContact CB-CD2 4.33Å; I1361-L1504 HydrophobicContact CD1-CD1 4.43Å; I1361-L1504 HydrophobicContact CD1-CD2 4.48Å; I1361-L1504 HydrophobicContact CG2-CD2 4.09Å |
| 1362 | H | 91.9 | Very high | 84.7 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 110.3 | 168.1 | -173.8 | 72.2 | 0 | 0 | 0 | 108.7 | C1309 K1364 E1366 Y1495 V1502 | C1309-H1362 HydrophobicContact CB-CB 3.41Å; C1309-H1362 VanDerWaalsContact CB-CB 3.41Å; C1309-H1362 VanDerWaalsContact CB-CD2 3.5Å; C1309-H1362 WeakPolarHBondContact CB-CD2 3.49Å; H1362-K1364 PolarHBondContact CE1-O 3Å; H1362-K1364 PolarHBondContact ND1-O 2.87Å; H1362-K1364 PolarHBondContact NE2-O 3.18Å; H1362-E1366 PolarHBondContact CE1-O 3.08Å; H1362-Y1495 WeakPolarHBondContact CA-OH 3.09Å; H1362-Y1495 WeakPolarHBondContact CB-OH 3.42Å; H1362-Y1495 AromaticContact ND1-CE2 3.46Å; H1362-Y1495 WeakPolarHBondContact ND1-CE2 3.31Å; H1362-Y1495 AromaticContact ND1-CZ 3.6Å; H1362-Y1495 PolarHBondContact ND1-OH 2.61Å; H1362-V1502 PolarHBondContact N-O 2.8Å |
| 1363 | Y | 83.3 | Confident | 86.9 | Confident | 80 Ų | 80 | 38.9 Ų | 38.9 | 31% | 0.314 | 18% | 0.181 | S | C | . | . | trans | -117.3 | -27.4 | -174.9 | -178.5 | -95.7 | 0 | 0 | 0 | 113.2 | L1371 L1504 K1620 A1623 | Y1363-L1371 HydrophobicContact CD1-CD1 4.11Å; Y1363-L1371 HydrophobicContact CG-CD1 4.04Å; Y1363-L1504 HydrophobicContact CD2-CD1 4Å; Y1363-K1620 HydrophobicContact CE2-CG 4.19Å; Y1363-K1620 WeakPolarHBondContact OH-CA 2.99Å; Y1363-A1623 HydrophobicContact CD1-CB 4.37Å; Y1363-A1623 HydrophobicContact CE1-CB 3.85Å; Y1363-A1623 HydrophobicContact CE2-CB 4.05Å | ||
| 1364 | K | 75.8 | Confident | 88.9 | Confident | 61 Ų | 61 | 32.1 Ų | 32.1 | 27% | 0.265 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -101.9 | 167.8 | 173.4 | -56.1 | 178.4 | -171.6 | 172.4 | 0 | 109.9 | H1362 E1366 E1492 | H1362-K1364 PolarHBondContact CE1-O 3Å; H1362-K1364 PolarHBondContact ND1-O 2.87Å; H1362-K1364 PolarHBondContact NE2-O 3.18Å; K1364-E1366 HydrophobicContact CB-CB 4.41Å; K1364-E1366 PolarHBondContact O-N 3.43Å; K1364-E1492 IonicContact NZ-OE1 2.66Å; K1364-E1492 IonicContact NZ-OE2 3.09Å; K1364-E1492 PolarHBondContact NZ-OE2 3.08Å |
| 1365 | Q | 69.3 | Low | 89.8 | Confident | 163 Ų | 163 | 29.7 Ų | 29.7 | 76% | 0.762 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -77.5 | -0.3 | 170.9 | -73.1 | 177.7 | -57.5 | 0 | 0 | 113.6 | ||
| 1366 | E | 76.8 | Confident | 90.1 | Very high | 106 Ų | 106 | 27.3 Ų | 27.3 | 50% | 0.495 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -84 | 155.3 | -178.1 | -68.7 | 161.8 | -149.7 | 0 | 0 | 112.4 | H1362 K1364 S1368 | H1362-E1366 PolarHBondContact CE1-O 3.08Å; K1364-E1366 HydrophobicContact CB-CB 4.41Å; K1364-E1366 PolarHBondContact O-N 3.43Å; E1366-S1368 PolarHBondContact O-N 2.83Å |
| 1367 | N | 83.1 | Confident | 90 | Very high | 93 Ų | 93 | 28.9 Ų | 28.9 | 50% | 0.497 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -77.5 | 43.7 | 177.4 | -74.2 | -22.9 | 0 | 0 | 0 | 112.8 | I1308 Y1495 | I1308-N1367 WeakPolarHBondContact CD1-OD1 3.43Å; I1308-N1367 WeakPolarHBondContact CG2-OD1 3.5Å; N1367-Y1495 WeakPolarHBondContact O-CB 3.4Å; N1367-Y1495 PolarHBondContact O-N 2.82Å |
| 1368 | S | 85.8 | Confident | 89.9 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 164.4 | -171.4 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | E1366 E1492 V1493 Y1495 | E1366-S1368 PolarHBondContact O-N 2.83Å; S1368-E1492 WeakPolarHBondContact CB-OE1 3.31Å; S1368-E1492 PolarHBondContact OG-OE1 2.93Å; S1368-V1493 VanDerWaalsContact CA-O 3.27Å; S1368-V1493 WeakPolarHBondContact CA-O 3.48Å; S1368-Y1495 PolarHBondContact O-OH 2.87Å; S1368-Y1495 VanDerWaalsContact O-OH 3.11Å |
| 1369 | S | 92.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 148.1 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | I1361 L1371 V1493 | I1361-S1369 VanDerWaalsContact O-CB 3.26Å; I1361-S1369 WeakPolarHBondContact O-CB 3.24Å; I1361-S1369 PolarHBondContact O-OG 2.97Å; S1369-L1371 PolarHBondContact OG-N 2.93Å; S1369-L1371 VanDerWaalsContact OG-N 3.16Å; S1369-V1493 PolarHBondContact N-O 3.1Å; S1369-V1493 VanDerWaalsContact N-O 3.11Å; S1369-V1493 WeakPolarHBondContact O-CB 3.35Å; S1369-V1493 PolarHBondContact O-N 3.44Å |
| 1370 | D | 93.5 | Very high | 88.7 | Confident | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.053 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 1.4 | 172.2 | 65.4 | -31.5 | 0 | 0 | 0 | 112.5 | K1488 L1489 E1492 H1627 | D1370-K1488 WeakPolarHBondContact OD2-CE 3.42Å; D1370-K1488 WeakPolarHBondContact OD2-CG 3.43Å; D1370-K1488 IonicContact OD2-NZ 2.73Å; D1370-L1489 HydrophobicContact CB-CB 4.44Å; D1370-L1489 WeakPolarHBondContact O-CB 3.26Å; D1370-L1489 VanDerWaalsContact O-CG 3.32Å; D1370-L1489 WeakPolarHBondContact O-CG 3.25Å; D1370-L1489 PolarHBondContact O-N 3.19Å; D1370-E1492 HydrophobicContact CB-CB 4.32Å; D1370-E1492 HydrophobicContact CB-CG 4.13Å; D1370-H1627 IonicContact OD1-CE1 2.76Å; D1370-H1627 IonicContact OD2-CE1 3.74Å |
| 1371 | L | 96.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.5 | -171.4 | -63.9 | -179.3 | 0 | 0 | 0 | 113 | I1361 Y1363 S1369 L1486 K1488 A1623 L1626 | I1361-L1371 HydrophobicContact CD1-CB 4.06Å; I1361-L1371 HydrophobicContact CD1-CD1 4.43Å; I1361-L1371 HydrophobicContact CG1-CB 3.78Å; I1361-L1371 WeakPolarHBondContact CG1-O 3.07Å; I1361-L1371 PolarHBondContact N-O 2.8Å; I1361-L1371 VanDerWaalsContact N-O 3.11Å; Y1363-L1371 HydrophobicContact CD1-CD1 4.11Å; Y1363-L1371 HydrophobicContact CG-CD1 4.04Å; S1369-L1371 PolarHBondContact OG-N 2.93Å; S1369-L1371 VanDerWaalsContact OG-N 3.16Å; L1371-L1486 HydrophobicContact CB-CD2 4.38Å; L1371-K1488 HydrophobicContact CD2-CB 4.43Å; L1371-A1623 HydrophobicContact CD1-CB 3.82Å; L1371-L1626 HydrophobicContact CD2-CD1 4.25Å |
| 1372 | I | 97.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.2 | 172.3 | -51.4 | -64.4 | 0 | 0 | 0 | 109.9 | A1343 I1345 S1359 L1360 V1448 L1450 L1486 I1487 L1489 | A1343-I1372 HydrophobicContact CB-CD1 4.16Å; A1343-I1372 HydrophobicContact CB-CG2 3.95Å; I1345-I1372 HydrophobicContact CD1-CG2 4.23Å; S1359-I1372 CarbonylContact O-C 3.56Å; S1359-I1372 WeakPolarHBondContact O-CA 3.5Å; L1360-I1372 HydrophobicContact CB-CD1 4.03Å; L1360-I1372 HydrophobicContact CD1-CD1 3.73Å; I1372-V1448 HydrophobicContact CD1-CG1 4.17Å; I1372-V1448 HydrophobicContact CG1-CG1 4.04Å; I1372-V1448 HydrophobicContact CG1-CG2 4.41Å; I1372-L1450 HydrophobicContact CD1-CD1 4.45Å; I1372-L1450 HydrophobicContact CD1-CD2 3.95Å; I1372-L1486 WeakPolarHBondContact O-CA 3Å; I1372-I1487 HydrophobicContact CB-CB 4.2Å; I1372-I1487 PolarHBondContact N-O 3.09Å; I1372-I1487 PolarHBondContact O-N 3.33Å; I1372-L1489 HydrophobicContact CD1-CD1 4.06Å; I1372-L1489 HydrophobicContact CG1-CD1 4.09Å; I1372-L1489 HydrophobicContact CG1-CD2 3.93Å; I1372-L1489 HydrophobicContact CG1-CG 4.04Å |
| 1373 | L | 97.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.2 | 170.9 | -174.4 | 56.7 | 0 | 0 | 0 | 110.5 | G1358 S1359 I1361 I1484 A1485 L1486 I1588 V1591 V1612 L1619 | G1358-L1373 CarbonylContact C-O 3.56Å; G1358-L1373 WeakPolarHBondContact CA-O 3.19Å; S1359-L1373 PolarHBondContact N-O 2.8Å; S1359-L1373 PolarHBondContact O-N 2.79Å; I1361-L1373 HydrophobicContact CG2-CB 3.74Å; I1361-L1373 HydrophobicContact CG2-CD2 4.18Å; L1373-I1484 HydrophobicContact CD1-CD1 4Å; L1373-I1484 HydrophobicContact CD1-CG1 3.66Å; L1373-A1485 WeakPolarHBondContact CD1-O 3.37Å; L1373-L1486 HydrophobicContact CB-CD2 4.41Å; L1373-L1486 HydrophobicContact CD1-CD2 4.25Å; L1373-L1486 HydrophobicContact CD1-CG 4.46Å; L1373-I1588 HydrophobicContact CD2-CD1 4.2Å; L1373-V1591 HydrophobicContact CD1-CG2 4.24Å; L1373-V1591 HydrophobicContact CD2-CG2 3.81Å; L1373-V1591 HydrophobicContact CG-CG2 3.71Å; L1373-V1612 HydrophobicContact CD2-CG2 4.19Å; L1373-L1619 HydrophobicContact CD1-CD2 3.66Å |
| 1374 | T | 96.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | -172.9 | 177.2 | -168.2 | 0 | 0 | 0 | 0 | 110.6 | I1345 G1357 L1379 I1484 A1485 I1487 G1575 V1591 | I1345-T1374 HydrophobicContact CD1-CG2 3.89Å; I1345-T1374 WeakPolarHBondContact CD1-OG1 3.41Å; G1357-T1374 PolarHBondContact O-OG1 3.32Å; T1374-L1379 HydrophobicContact CG2-CD1 4.17Å; T1374-L1379 HydrophobicContact CG2-CG 4.36Å; T1374-I1484 CarbonylContact O-C 3.59Å; T1374-A1485 HydrophobicContact CG2-CB 4.1Å; T1374-A1485 PolarHBondContact N-O 3.11Å; T1374-A1485 PolarHBondContact O-N 3.35Å; T1374-I1487 HydrophobicContact CG2-CD1 3.99Å; T1374-I1487 HydrophobicContact CG2-CG1 4.25Å; T1374-G1575 WeakPolarHBondContact OG1-CA 3.4Å; T1374-V1591 VanDerWaalsContact C-CG1 3.45Å; T1374-V1591 WeakPolarHBondContact O-CG1 3.05Å |
| 1375 | A | 93.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -88.5 | 147 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1378 D1483 V1591 | A1375-C1378 WeakPolarHBondContact O-CB 3.17Å; A1375-C1378 PolarHBondContact O-N 3.36Å; A1375-D1483 WeakPolarHBondContact CB-OD1 3.4Å; A1375-V1591 HydrophobicContact CB-CG1 4.11Å | ||
| 1376 | A | 90.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C1378 L1379 I1380 A1472 F1475 D1483 | A1376-C1378 PolarHBondContact O-N 3.05Å; A1376-L1379 PolarHBondContact O-N 3.1Å; A1376-I1380 PolarHBondContact O-N 3.06Å; A1376-A1472 HydrophobicContact CB-CB 3.97Å; A1376-F1475 HydrophobicContact CB-CB 3.7Å; A1376-F1475 HydrophobicContact CB-CD2 4.43Å; A1376-F1475 HydrophobicContact CB-CG 4.15Å; A1376-D1483 WeakPolarHBondContact CA-OD1 3.43Å; A1376-D1483 PolarHBondContact N-OD1 3.05Å |
| 1377 | H | 88.2 | Confident | 78.5 | Confident | 37 Ų | 37 | 32.7 Ų | 32.7 | 17% | 0.171 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -13.8 | 179.3 | 84.4 | -96.5 | 0 | 0 | 0 | 113.6 | K1354 F1475 D1483 S1574 S1593 | K1354-H1377 PolarHBondContact NZ-O 3.5Å; H1377-F1475 HydrophobicContact CB-CE1 4.01Å; H1377-F1475 HydrophobicContact CB-CE2 4.48Å; H1377-F1475 HydrophobicContact CB-CZ 3.99Å; H1377-D1483 IonicContact CE1-OD2 3.93Å; H1377-D1483 IonicContact CG-OD1 2.71Å; H1377-D1483 IonicContact CG-OD2 3.19Å; H1377-D1483 PolarHBondContact N-OD1 3.2Å; H1377-D1483 IonicContact ND1-OD1 2.74Å; H1377-D1483 PolarHBondContact ND1-OD1 3.43Å; H1377-D1483 IonicContact ND1-OD2 2.8Å; H1377-D1483 PolarHBondContact ND1-OD2 2.74Å; H1377-S1574 VanDerWaalsContact NE2-CB 3.27Å; H1377-S1574 WeakPolarHBondContact NE2-CB 3.27Å; H1377-S1574 PolarHBondContact NE2-OG 3.27Å; H1377-S1593 PolarHBondContact CE1-O 3.49Å |
| 1378 | C | 89 | Confident | 76.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70 | -39.9 | 170.1 | -76 | 0 | 0 | 0 | 0 | 111.6 | L1347 K1354 C1356 A1375 A1376 | L1347-C1378 WeakPolarHBondContact CD1-O 3.42Å; K1354-C1378 WeakPolarHBondContact CE-O 3.28Å; K1354-C1378 PolarHBondContact NZ-O 3.47Å; C1356-C1378 HydrophobicContact CB-CB 3.74Å; C1356-C1378 WeakPolarHBondContact CB-SG 3.31Å; C1356-C1378 WeakPolarHBondContact SG-CB 3.3Å; C1356-C1378 CovalentContact SG-SG 2.03Å; C1356-C1378 PolarHBondContact SG-SG 3.26Å; A1375-C1378 WeakPolarHBondContact O-CB 3.17Å; A1375-C1378 PolarHBondContact O-N 3.36Å; A1376-C1378 PolarHBondContact O-N 3.05Å |
| 1379 | L | 88.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -97.3 | -4.6 | -173.1 | -55.7 | -178.2 | 0 | 0 | 0 | 114.5 | L1347 T1374 A1376 L1440 V1441 V1446 V1470 A1485 I1487 | L1347-L1379 HydrophobicContact CD2-CD2 4.24Å; T1374-L1379 HydrophobicContact CG2-CD1 4.17Å; T1374-L1379 HydrophobicContact CG2-CG 4.36Å; A1376-L1379 PolarHBondContact O-N 3.1Å; L1379-L1440 HydrophobicContact CB-CD2 4.16Å; L1379-L1440 WeakPolarHBondContact O-CA 3.14Å; L1379-V1441 HydrophobicContact CB-CG2 4.46Å; L1379-V1441 HydrophobicContact CD2-CG2 4.47Å; L1379-V1441 WeakPolarHBondContact O-CG2 3.09Å; L1379-V1441 PolarHBondContact O-N 2.79Å; L1379-V1446 HydrophobicContact CD2-CG2 4.47Å; L1379-V1470 HydrophobicContact CD1-CB 3.97Å; L1379-V1470 HydrophobicContact CD1-CG1 3.98Å; L1379-A1485 HydrophobicContact CD1-CB 3.78Å; L1379-I1487 HydrophobicContact CD1-CD1 4.22Å; L1379-I1487 HydrophobicContact CD1-CG1 3.72Å; L1379-I1487 HydrophobicContact CD2-CD1 4.13Å; L1379-I1487 HydrophobicContact CD2-CG1 4.47Å |
| 1380 | I | 79.2 | Confident | 72.3 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 134.9 | 172.4 | -67.6 | 164.3 | 0 | 0 | 0 | 110.9 | K1354 A1376 C1382 L1385 A1438 L1440 F1475 Y1477 | K1354-I1380 PolarHBondContact NZ-O 3.2Å; A1376-I1380 PolarHBondContact O-N 3.06Å; I1380-C1382 PolarHBondContact O-N 3.4Å; I1380-L1385 HydrophobicContact CG2-CD1 3.74Å; I1380-A1438 HydrophobicContact CD1-CB 3.69Å; I1380-A1438 HydrophobicContact CG1-CB 3.87Å; I1380-A1438 HydrophobicContact CG2-CB 3.9Å; I1380-L1440 HydrophobicContact CG1-CD2 4.11Å; I1380-F1475 HydrophobicContact CD1-CB 4.01Å; I1380-F1475 HydrophobicContact CD1-CD1 3.45Å; I1380-F1475 VanDerWaalsContact CD1-CD1 3.45Å; I1380-F1475 HydrophobicContact CD1-CE1 4.31Å; I1380-F1475 HydrophobicContact CD1-CG 4.06Å; I1380-Y1477 HydrophobicContact CD1-CE2 4.03Å; I1380-Y1477 HydrophobicContact CG2-CE2 4.09Å; I1380-Y1477 WeakPolarHBondContact CG2-OH 3.35Å |
| 1381 | D | 69 | Low | 70 | Confident | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | trans | -82.1 | 108.1 | 170.4 | -167 | -18.5 | 0 | 0 | 0 | 110.8 | H1349 L1383 I1384 P1439 V1441 | H1349-D1381 IonicContact NE2-OD2 3.55Å; D1381-L1383 VanDerWaalsContact C-N 3.3Å; D1381-L1383 PolarHBondContact O-N 2.72Å; D1381-L1383 WeakPolarHBondContact OD1-CB 3.45Å; D1381-L1383 PolarHBondContact OD1-N 2.89Å; D1381-I1384 HydrophobicContact CB-CD1 4.13Å; D1381-I1384 HydrophobicContact CB-CG1 4.44Å; D1381-P1439 PolarHBondContact N-O 2.94Å; D1381-V1441 HydrophobicContact CB-CG1 3.98Å | ||
| 1382 | C | 59.8 | Low | 67.5 | Low | 49 Ų | 49 | 48.5 Ų | 48.5 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -73.8 | -17.2 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | I1380 L1385 E1386 | I1380-C1382 PolarHBondContact O-N 3.4Å; C1382-L1385 WeakPolarHBondContact O-CB 3.35Å; C1382-L1385 PolarHBondContact O-N 3.14Å; C1382-E1386 PolarHBondContact O-N 3.42Å |
| 1383 | L | 54.8 | Low | 65 | Low | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76 | -40.1 | -175.5 | -70.9 | 157.1 | 0 | 0 | 0 | 111.5 | H1349 T1351 I1352 D1381 L1385 E1386 E1387 | H1349-L1383 WeakPolarHBondContact CE1-CD1 3.35Å; H1349-L1383 WeakPolarHBondContact ND1-CD1 3.29Å; T1351-L1383 WeakPolarHBondContact OG1-CD1 3.49Å; I1352-L1383 HydrophobicContact CD1-CD1 3.89Å; I1352-L1383 HydrophobicContact CD1-CD2 3.93Å; I1352-L1383 HydrophobicContact CD1-CG 3.8Å; I1352-L1383 HydrophobicContact CG1-CD1 4.2Å; D1381-L1383 VanDerWaalsContact C-N 3.3Å; D1381-L1383 PolarHBondContact O-N 2.72Å; D1381-L1383 WeakPolarHBondContact OD1-CB 3.45Å; D1381-L1383 PolarHBondContact OD1-N 2.89Å; L1383-L1385 PolarHBondContact O-N 2.77Å; L1383-E1386 PolarHBondContact O-N 3.26Å; L1383-E1387 PolarHBondContact O-N 3.12Å |
| 1384 | I | 52.4 | Low | 62.8 | Low | 70 Ų | 70 | 59.8 Ų | 59.8 | 36% | 0.359 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -32.7 | 173.4 | -54.9 | 172.3 | 0 | 0 | 0 | 110.3 | D1381 N1388 P1439 | D1381-I1384 HydrophobicContact CB-CD1 4.13Å; D1381-I1384 HydrophobicContact CB-CG1 4.44Å; I1384-N1388 WeakPolarHBondContact O-CB 3.43Å; I1384-N1388 PolarHBondContact O-N 3.38Å; I1384-P1439 HydrophobicContact CB-CG 3.78Å; I1384-P1439 HydrophobicContact CD1-CB 3.92Å; I1384-P1439 HydrophobicContact CD1-CG 4.07Å; I1384-P1439 HydrophobicContact CG2-CB 4.42Å; I1384-P1439 HydrophobicContact CG2-CG 3.76Å |
| 1385 | L | 49.6 | Very low | 60.7 | Low | 57 Ų | 57 | 65.7 Ų | 65.7 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 172.2 | -76.2 | 164.1 | 0 | 0 | 0 | 113.2 | I1380 C1382 L1383 R1389 Y1477 | I1380-L1385 HydrophobicContact CG2-CD1 3.74Å; C1382-L1385 WeakPolarHBondContact O-CB 3.35Å; C1382-L1385 PolarHBondContact O-N 3.14Å; L1383-L1385 PolarHBondContact O-N 2.77Å; L1385-R1389 VanDerWaalsContact O-CB 3.29Å; L1385-R1389 WeakPolarHBondContact O-CB 3.3Å; L1385-R1389 WeakPolarHBondContact O-CG 3.1Å; L1385-R1389 PolarHBondContact O-N 3.47Å; L1385-Y1477 HydrophobicContact CD1-CD2 4.41Å; L1385-Y1477 HydrophobicContact CD1-CE2 3.63Å |
| 1386 | E | 46.3 | Very low | 58.6 | Low | 125 Ų | 125 | 69.3 Ų | 69.3 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -76.9 | -36.4 | 178.2 | -78.3 | -169.6 | 172.4 | 0 | 0 | 113.6 | C1382 L1383 R1389 S1390 | C1382-E1386 PolarHBondContact O-N 3.42Å; L1383-E1386 PolarHBondContact O-N 3.26Å; E1386-R1389 PolarHBondContact O-N 3.03Å; E1386-S1390 WeakPolarHBondContact O-CB 3.26Å; E1386-S1390 PolarHBondContact O-N 3.02Å; E1386-S1390 PolarHBondContact O-OG 2.95Å |
| 1387 | E | 43.3 | Very low | 56.6 | Low | 149 Ų | 149 | 75.1 Ų | 75.1 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.8 | -47.4 | 173.3 | -73.2 | -169.8 | 150.4 | 0 | 0 | 111 | L1383 R1389 S1390 L1391 | L1383-E1387 PolarHBondContact O-N 3.12Å; E1387-R1389 PolarHBondContact O-N 2.81Å; E1387-S1390 PolarHBondContact O-N 2.92Å; E1387-L1391 PolarHBondContact O-N 2.95Å; E1387-L1391 VanDerWaalsContact O-N 3.1Å |
| 1388 | N | 44.9 | Very low | 55 | Low | 68 Ų | 68 | 77.5 Ų | 77.5 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.1 | -84.8 | -21.2 | 0 | 0 | 0 | 112.5 | I1384 L1392 | I1384-N1388 WeakPolarHBondContact O-CB 3.43Å; I1384-N1388 PolarHBondContact O-N 3.38Å; N1388-L1392 WeakPolarHBondContact O-CD1 3.2Å; N1388-L1392 PolarHBondContact O-N 3.32Å |
| 1389 | R | 41.6 | Very low | 53.2 | Low | 143 Ų | 143 | 83.7 Ų | 83.7 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 172.3 | -87.5 | -174.7 | 167.3 | -172.3 | -2.9 | 112.6 | L1385 E1386 E1387 L1392 I1393 E1478 | L1385-R1389 VanDerWaalsContact O-CB 3.29Å; L1385-R1389 WeakPolarHBondContact O-CB 3.3Å; L1385-R1389 WeakPolarHBondContact O-CG 3.1Å; L1385-R1389 PolarHBondContact O-N 3.47Å; E1386-R1389 PolarHBondContact O-N 3.03Å; E1387-R1389 PolarHBondContact O-N 2.81Å; R1389-L1392 PolarHBondContact O-N 3.3Å; R1389-I1393 WeakPolarHBondContact O-CB 3.38Å; R1389-I1393 WeakPolarHBondContact O-CD1 3.3Å; R1389-I1393 WeakPolarHBondContact O-CG1 3.16Å; R1389-I1393 PolarHBondContact O-N 3.36Å; R1389-E1478 IonicContact NH2-OE1 3.15Å |
| 1390 | S | 45.9 | Very low | 51.3 | Low | 76 Ų | 76 | 85.9 Ų | 85.9 | 53% | 0.531 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | -179.4 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | E1386 E1387 I1393 F1394 | E1386-S1390 WeakPolarHBondContact O-CB 3.26Å; E1386-S1390 PolarHBondContact O-N 3.02Å; E1386-S1390 PolarHBondContact O-OG 2.95Å; E1387-S1390 PolarHBondContact O-N 2.92Å; S1390-I1393 PolarHBondContact O-N 2.9Å; S1390-F1394 PolarHBondContact O-N 3.14Å |
| 1391 | L | 44 | Very low | 50 | Low | 107 Ų | 107 | 90.7 Ų | 90.7 | 56% | 0.56 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 172.6 | -134.8 | 82.3 | 0 | 0 | 0 | 111.3 | E1387 F1394 F1395 | E1387-L1391 PolarHBondContact O-N 2.95Å; E1387-L1391 VanDerWaalsContact O-N 3.1Å; L1391-F1394 WeakPolarHBondContact O-CB 3.11Å; L1391-F1394 PolarHBondContact O-N 3.24Å; L1391-F1395 HydrophobicContact CD2-CE2 4.19Å; L1391-F1395 HydrophobicContact CG-CE2 4.28Å; L1391-F1395 VanDerWaalsContact O-CD2 3.27Å; L1391-F1395 WeakPolarHBondContact O-CD2 3.39Å; L1391-F1395 PolarHBondContact O-N 2.94Å |
| 1392 | L | 43.9 | Very low | 49.3 | Very low | 64 Ų | 64 | 94.3 Ų | 94.3 | 34% | 0.335 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.5 | -30.9 | -179.9 | -97.1 | 81.3 | 0 | 0 | 0 | 114.4 | N1388 R1389 F1394 F1395 F1396 F1432 | N1388-L1392 WeakPolarHBondContact O-CD1 3.2Å; N1388-L1392 PolarHBondContact O-N 3.32Å; R1389-L1392 PolarHBondContact O-N 3.3Å; L1392-F1394 VanDerWaalsContact C-N 3.27Å; L1392-F1394 PolarHBondContact O-N 2.94Å; L1392-F1395 PolarHBondContact O-N 2.91Å; L1392-F1396 WeakPolarHBondContact O-CB 3.48Å; L1392-F1396 PolarHBondContact O-N 2.96Å; L1392-F1432 HydrophobicContact CD2-CE1 3.57Å; L1392-F1432 HydrophobicContact CD2-CE2 4.07Å; L1392-F1432 HydrophobicContact CD2-CZ 3.25Å |
| 1393 | I | 46.4 | Very low | 49 | Very low | 95 Ų | 95 | 94.9 Ų | 94.9 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 171.5 | -71.5 | 161.7 | 0 | 0 | 0 | 109.4 | R1389 S1390 F1396 Q1397 | R1389-I1393 WeakPolarHBondContact O-CB 3.38Å; R1389-I1393 WeakPolarHBondContact O-CD1 3.3Å; R1389-I1393 WeakPolarHBondContact O-CG1 3.16Å; R1389-I1393 PolarHBondContact O-N 3.36Å; S1390-I1393 PolarHBondContact O-N 2.9Å; I1393-F1396 PolarHBondContact O-N 3.23Å; I1393-Q1397 HydrophobicContact CG2-CG 4.45Å; I1393-Q1397 WeakPolarHBondContact O-CB 3.07Å; I1393-Q1397 WeakPolarHBondContact O-CG 3.48Å; I1393-Q1397 PolarHBondContact O-N 3.44Å |
| 1394 | F | 51.2 | Low | 48.8 | Very low | 145 Ų | 145 | 102.1 Ų | 102.1 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -51 | 175 | -164 | -92.2 | 0 | 0 | 0 | 111.5 | S1390 L1391 L1392 F1396 Q1397 L1398 | S1390-F1394 PolarHBondContact O-N 3.14Å; L1391-F1394 WeakPolarHBondContact O-CB 3.11Å; L1391-F1394 PolarHBondContact O-N 3.24Å; L1392-F1394 VanDerWaalsContact C-N 3.27Å; L1392-F1394 PolarHBondContact O-N 2.94Å; F1394-F1396 PolarHBondContact O-N 3.4Å; F1394-Q1397 PolarHBondContact O-N 3.1Å; F1394-L1398 WeakPolarHBondContact O-CB 3.35Å; F1394-L1398 PolarHBondContact O-N 2.95Å |
| 1395 | F | 52.3 | Low | 48.6 | Very low | 124 Ų | 124 | 104 Ų | 104 | 54% | 0.544 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.4 | -79.3 | -69.5 | 0 | 0 | 0 | 113 | L1391 L1392 L1398 W1399 | L1391-F1395 HydrophobicContact CD2-CE2 4.19Å; L1391-F1395 HydrophobicContact CG-CE2 4.28Å; L1391-F1395 VanDerWaalsContact O-CD2 3.27Å; L1391-F1395 WeakPolarHBondContact O-CD2 3.39Å; L1391-F1395 PolarHBondContact O-N 2.94Å; L1392-F1395 PolarHBondContact O-N 2.91Å; F1395-L1398 PolarHBondContact O-N 3.46Å; F1395-W1399 WeakPolarHBondContact O-CB 3.5Å; F1395-W1399 PolarHBondContact O-N 3.33Å |
| 1396 | F | 50.1 | Low | 48.5 | Very low | 75 Ų | 75 | 105.3 Ų | 105.3 | 33% | 0.329 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 179.3 | -170.5 | -92.6 | 0 | 0 | 0 | 112.2 | L1392 I1393 F1394 C1400 W1421 F1428 | L1392-F1396 WeakPolarHBondContact O-CB 3.48Å; L1392-F1396 PolarHBondContact O-N 2.96Å; I1393-F1396 PolarHBondContact O-N 3.23Å; F1394-F1396 PolarHBondContact O-N 3.4Å; F1396-C1400 VanDerWaalsContact CE1-SG 3.6Å; F1396-C1400 VanDerWaalsContact O-CB 3.31Å; F1396-C1400 WeakPolarHBondContact O-CB 3.46Å; F1396-C1400 PolarHBondContact O-N 2.98Å; F1396-C1400 PolarHBondContact O-SG 2.96Å; F1396-W1421 HydrophobicContact CZ-CH2 4.16Å; F1396-F1428 HydrophobicContact CD2-CD2 4.27Å; F1396-F1428 AromaticContact CD2-CE2 3.88Å; F1396-F1428 HydrophobicContact CD2-CE2 3.88Å; F1396-F1428 HydrophobicContact CD2-CZ 4.05Å; F1396-F1428 AromaticContact CE2-CD2 4Å; F1396-F1428 HydrophobicContact CE2-CD2 4Å; F1396-F1428 AromaticContact CE2-CE2 3.84Å; F1396-F1428 HydrophobicContact CE2-CE2 3.84Å; F1396-F1428 HydrophobicContact CE2-CZ 4.47Å |
| 1397 | Q | 48.5 | Very low | 48.4 | Very low | 122 Ų | 122 | 104.6 Ų | 104.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 172.3 | -74.2 | -163.9 | 8.1 | 0 | 0 | 111.9 | I1393 F1394 W1399 C1400 L1401 | I1393-Q1397 HydrophobicContact CG2-CG 4.45Å; I1393-Q1397 WeakPolarHBondContact O-CB 3.07Å; I1393-Q1397 WeakPolarHBondContact O-CG 3.48Å; I1393-Q1397 PolarHBondContact O-N 3.44Å; F1394-Q1397 PolarHBondContact O-N 3.1Å; Q1397-W1399 VanDerWaalsContact C-N 3.33Å; Q1397-W1399 PolarHBondContact O-N 3.49Å; Q1397-C1400 PolarHBondContact O-N 3.12Å; Q1397-L1401 PolarHBondContact O-N 2.88Å |
| 1398 | L | 55.3 | Low | 48.5 | Very low | 88 Ų | 88 | 104.4 Ų | 104.4 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.9 | -157.3 | 76.6 | 0 | 0 | 0 | 111.6 | F1394 F1395 L1401 L1402 | F1394-L1398 WeakPolarHBondContact O-CB 3.35Å; F1394-L1398 PolarHBondContact O-N 2.95Å; F1395-L1398 PolarHBondContact O-N 3.46Å; L1398-L1401 WeakPolarHBondContact O-CB 3.43Å; L1398-L1401 PolarHBondContact O-N 2.79Å; L1398-L1402 PolarHBondContact O-N 2.91Å |
| 1399 | W | 49.9 | Very low | 48.7 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.8 | -38.2 | 177.8 | -139.1 | 66.6 | 0 | 0 | 0 | 112.5 | F1395 Q1397 L1401 L1402 L1403 | F1395-W1399 WeakPolarHBondContact O-CB 3.5Å; F1395-W1399 PolarHBondContact O-N 3.33Å; Q1397-W1399 VanDerWaalsContact C-N 3.33Å; Q1397-W1399 PolarHBondContact O-N 3.49Å; W1399-L1401 VanDerWaalsContact C-N 3.27Å; W1399-L1401 PolarHBondContact O-N 2.86Å; W1399-L1402 PolarHBondContact O-N 3.13Å; W1399-L1403 HydrophobicContact CD2-CD1 4.33Å; W1399-L1403 HydrophobicContact CE3-CD1 3.56Å; W1399-L1403 HydrophobicContact CZ3-CD1 3.7Å; W1399-L1403 WeakPolarHBondContact O-CB 3.41Å; W1399-L1403 PolarHBondContact O-N 2.65Å |
| 1400 | C | 48.7 | Very low | 48.7 | Very low | 46 Ų | 46 | 105.8 Ų | 105.8 | 31% | 0.311 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -34.2 | 169.8 | -75.8 | 0 | 0 | 0 | 0 | 112.5 | F1396 Q1397 R1404 | F1396-C1400 VanDerWaalsContact CE1-SG 3.6Å; F1396-C1400 VanDerWaalsContact O-CB 3.31Å; F1396-C1400 WeakPolarHBondContact O-CB 3.46Å; F1396-C1400 PolarHBondContact O-N 2.98Å; F1396-C1400 PolarHBondContact O-SG 2.96Å; Q1397-C1400 PolarHBondContact O-N 3.12Å; C1400-R1404 WeakPolarHBondContact O-CG 3.29Å; C1400-R1404 PolarHBondContact O-N 3.08Å |
| 1401 | L | 52.9 | Low | 48.4 | Very low | 106 Ų | 106 | 113 Ų | 113 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.3 | -45.8 | 173.5 | -114.3 | 118.2 | 0 | 0 | 0 | 111.8 | Q1397 L1398 W1399 L1403 R1404 L1405 | Q1397-L1401 PolarHBondContact O-N 2.88Å; L1398-L1401 WeakPolarHBondContact O-CB 3.43Å; L1398-L1401 PolarHBondContact O-N 2.79Å; W1399-L1401 VanDerWaalsContact C-N 3.27Å; W1399-L1401 PolarHBondContact O-N 2.86Å; L1401-L1403 PolarHBondContact O-N 2.88Å; L1401-R1404 PolarHBondContact O-N 3.11Å; L1401-L1405 PolarHBondContact O-N 3.15Å |
| 1402 | L | 54.4 | Low | 48.4 | Very low | 97 Ų | 97 | 114.5 Ų | 114.5 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -40.5 | 175.6 | -80.3 | 160 | 0 | 0 | 0 | 112.5 | L1398 W1399 L1405 T1406 | L1398-L1402 PolarHBondContact O-N 2.91Å; W1399-L1402 PolarHBondContact O-N 3.13Å; L1402-L1405 PolarHBondContact O-N 2.81Å; L1402-T1406 PolarHBondContact O-N 3.31Å; L1402-T1406 PolarHBondContact O-OG1 3.06Å |
| 1403 | L | 53.5 | Low | 48.3 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 32% | 0.319 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.4 | -42.2 | 173.1 | -89.1 | 158 | 0 | 0 | 0 | 112 | W1399 L1401 L1405 T1406 F1407 | W1399-L1403 HydrophobicContact CD2-CD1 4.33Å; W1399-L1403 HydrophobicContact CE3-CD1 3.56Å; W1399-L1403 HydrophobicContact CZ3-CD1 3.7Å; W1399-L1403 WeakPolarHBondContact O-CB 3.41Å; W1399-L1403 PolarHBondContact O-N 2.65Å; L1401-L1403 PolarHBondContact O-N 2.88Å; L1403-L1405 VanDerWaalsContact C-N 3.34Å; L1403-L1405 PolarHBondContact O-N 2.99Å; L1403-T1406 WeakPolarHBondContact CA-OG1 3.29Å; L1403-T1406 PolarHBondContact O-N 3.15Å; L1403-T1406 PolarHBondContact O-OG1 3.12Å; L1403-F1407 HydrophobicContact CD2-CD2 3.94Å; L1403-F1407 HydrophobicContact CD2-CE2 3.72Å; L1403-F1407 WeakPolarHBondContact O-CB 3.3Å; L1403-F1407 WeakPolarHBondContact O-CD2 3.44Å; L1403-F1407 PolarHBondContact O-N 3.39Å |
| 1404 | R | 48.9 | Very low | 48 | Very low | 197 Ų | 197 | 125.5 Ų | 125.5 | 74% | 0.743 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.4 | -39.2 | 173.4 | -81.8 | -177.7 | 169 | -172.2 | -3.1 | 112.8 | C1400 L1401 L1408 | C1400-R1404 WeakPolarHBondContact O-CG 3.29Å; C1400-R1404 PolarHBondContact O-N 3.08Å; L1401-R1404 PolarHBondContact O-N 3.11Å; R1404-L1408 WeakPolarHBondContact O-CG 3.47Å; R1404-L1408 PolarHBondContact O-N 3.44Å; R1404-L1408 VanDerWaalsContact O-N 3.13Å |
| 1405 | L | 49.7 | Very low | 47.5 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.9 | -37.1 | 177.4 | -83.6 | 159 | 0 | 0 | 0 | 112.8 | L1401 L1402 L1403 | L1401-L1405 PolarHBondContact O-N 3.15Å; L1402-L1405 PolarHBondContact O-N 2.81Å; L1403-L1405 VanDerWaalsContact C-N 3.34Å; L1403-L1405 PolarHBondContact O-N 2.99Å |
| 1406 | T | 47.5 | Very low | 47.2 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -79.1 | -36.1 | 176.6 | 39.1 | 0 | 0 | 0 | 0 | 113.1 | L1402 L1403 V1409 | L1402-T1406 PolarHBondContact O-N 3.31Å; L1402-T1406 PolarHBondContact O-OG1 3.06Å; L1403-T1406 WeakPolarHBondContact CA-OG1 3.29Å; L1403-T1406 PolarHBondContact O-N 3.15Å; L1403-T1406 PolarHBondContact O-OG1 3.12Å; T1406-V1409 WeakPolarHBondContact O-CB 3.39Å; T1406-V1409 PolarHBondContact O-N 3.39Å |
| 1407 | F | 44.2 | Very low | 46.8 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 48% | 0.478 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -76.8 | -18.7 | 178.4 | -87.7 | -91.2 | 0 | 0 | 0 | 114.7 | L1403 V1409 L1410 | L1403-F1407 HydrophobicContact CD2-CD2 3.94Å; L1403-F1407 HydrophobicContact CD2-CE2 3.72Å; L1403-F1407 WeakPolarHBondContact O-CB 3.3Å; L1403-F1407 WeakPolarHBondContact O-CD2 3.44Å; L1403-F1407 PolarHBondContact O-N 3.39Å; F1407-V1409 PolarHBondContact O-N 2.91Å; F1407-V1409 VanDerWaalsContact O-N 3.12Å; F1407-L1410 CarbonylContact O-C 3.54Å; F1407-L1410 PolarHBondContact O-N 2.85Å |
| 1408 | L | 45.5 | Very low | 46.4 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 76% | 0.764 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -17 | 166.2 | -86.9 | 166.4 | 0 | 0 | 0 | 113.2 | R1404 | R1404-L1408 WeakPolarHBondContact O-CG 3.47Å; R1404-L1408 PolarHBondContact O-N 3.44Å; R1404-L1408 VanDerWaalsContact O-N 3.13Å |
| 1409 | V | 49.4 | Very low | 46 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -13.1 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | T1406 F1407 | T1406-V1409 WeakPolarHBondContact O-CB 3.39Å; T1406-V1409 PolarHBondContact O-N 3.39Å; F1407-V1409 PolarHBondContact O-N 2.91Å; F1407-V1409 VanDerWaalsContact O-N 3.12Å |
| 1410 | L | 41.1 | Very low | 45.8 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 63% | 0.628 | 61% | 0.61 | S | S | * | * | trans | -127.5 | 73.5 | -172.8 | -65.6 | 176 | 0 | 0 | 0 | 112 | F1407 D1412 | F1407-L1410 CarbonylContact O-C 3.54Å; F1407-L1410 PolarHBondContact O-N 2.85Å; L1410-D1412 VanDerWaalsContact C-N 3.34Å; L1410-D1412 PolarHBondContact O-N 2.98Å | ||
| 1411 | R | 39.5 | Very low | 45.5 | Very low | 227 Ų | 227 | 133.5 Ų | 133.5 | 86% | 0.857 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -11.3 | -166 | -154.1 | 173.5 | 76.5 | 167.1 | 4.2 | 117 | ||
| 1412 | D | 42.6 | Very low | 45.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | 13.3 | -153.1 | -72.4 | -13.4 | 0 | 0 | 0 | 118.1 | L1410 | L1410-D1412 VanDerWaalsContact C-N 3.34Å; L1410-D1412 PolarHBondContact O-N 2.98Å |
| 1413 | R | 42.9 | Very low | 45.1 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -135.2 | 73.3 | 177.4 | -65.2 | -171 | -141.5 | -120.7 | -0 | 115.7 | H1415 | R1413-H1415 PolarHBondContact O-N 3.29Å; R1413-H1415 VanDerWaalsContact O-N 3.13Å | ||
| 1414 | Y | 39.4 | Very low | 44.9 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 76% | 0.757 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -15.2 | 179.4 | -152.5 | -106.8 | 0 | 0 | 0 | 115.5 | ||
| 1415 | H | 41.6 | Very low | 44.7 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 83% | 0.833 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -15.7 | -174.9 | -100.2 | -76 | 0 | 0 | 0 | 115.7 | R1413 | R1413-H1415 PolarHBondContact O-N 3.29Å; R1413-H1415 VanDerWaalsContact O-N 3.13Å |
| 1416 | E | 46.4 | Very low | 44.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -85.3 | -15.8 | 175.3 | -69.6 | -173.7 | 123.4 | 0 | 0 | 113 | R1418 T1419 A1420 | E1416-R1418 VanDerWaalsContact C-N 3.34Å; E1416-R1418 PolarHBondContact O-N 2.94Å; E1416-T1419 PolarHBondContact O-N 2.81Å; E1416-T1419 PolarHBondContact O-OG1 3.1Å; E1416-T1419 VanDerWaalsContact O-OG1 3.1Å; E1416-A1420 WeakPolarHBondContact O-CB 3.49Å; E1416-A1420 PolarHBondContact O-N 2.95Å |
| 1417 | E | 41.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 43% | 0.425 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.7 | -41.3 | -176.8 | -70.2 | -162.8 | 149.9 | 0 | 0 | 113.3 | A1420 W1421 | E1417-A1420 PolarHBondContact O-N 3.23Å; E1417-W1421 WeakPolarHBondContact O-CB 3.46Å; E1417-W1421 PolarHBondContact O-N 3.47Å |
| 1418 | R | 40.3 | Very low | 44.9 | Very low | 218 Ų | 218 | 130.5 Ų | 130.5 | 82% | 0.823 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -41.3 | -177.1 | -118.9 | -179.4 | -177.6 | 177.8 | 1.5 | 112 | E1416 Q1422 | E1416-R1418 VanDerWaalsContact C-N 3.34Å; E1416-R1418 PolarHBondContact O-N 2.94Å; R1418-Q1422 PolarHBondContact O-N 3.12Å |
| 1419 | T | 45.3 | Very low | 44.7 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.7 | -36.2 | 175.2 | 16.4 | 0 | 0 | 0 | 0 | 111.8 | E1416 K1423 | E1416-T1419 PolarHBondContact O-N 2.81Å; E1416-T1419 PolarHBondContact O-OG1 3.1Å; E1416-T1419 VanDerWaalsContact O-OG1 3.1Å; T1419-K1423 WeakPolarHBondContact O-CB 3.2Å; T1419-K1423 WeakPolarHBondContact O-CG 3.38Å; T1419-K1423 PolarHBondContact O-N 3.43Å |
| 1420 | A | 46.4 | Very low | 44.4 | Very low | 47 Ų | 47 | 130.3 Ų | 130.3 | 39% | 0.388 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.7 | -47.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1416 E1417 Q1422 K1423 V1424 | E1416-A1420 WeakPolarHBondContact O-CB 3.49Å; E1416-A1420 PolarHBondContact O-N 2.95Å; E1417-A1420 PolarHBondContact O-N 3.23Å; A1420-Q1422 PolarHBondContact O-N 2.83Å; A1420-K1423 WeakPolarHBondContact O-CB 3.35Å; A1420-K1423 PolarHBondContact O-N 3.39Å; A1420-V1424 WeakPolarHBondContact O-CG2 3.49Å; A1420-V1424 PolarHBondContact O-N 2.8Å |
| 1421 | W | 42.7 | Very low | 44.4 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.7 | -43.9 | 175.4 | -109.3 | 96 | 0 | 0 | 0 | 112.6 | F1396 E1417 K1423 V1424 K1425 | F1396-W1421 HydrophobicContact CZ-CH2 4.16Å; E1417-W1421 WeakPolarHBondContact O-CB 3.46Å; E1417-W1421 PolarHBondContact O-N 3.47Å; W1421-K1423 VanDerWaalsContact C-N 3.35Å; W1421-K1423 PolarHBondContact O-N 3.05Å; W1421-V1424 PolarHBondContact O-N 2.85Å; W1421-K1425 WeakPolarHBondContact O-CB 3.24Å; W1421-K1425 PolarHBondContact O-N 3.16Å |
| 1422 | Q | 47.2 | Very low | 44.5 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 54% | 0.537 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -39.7 | 176.9 | -146.5 | 76.6 | 12 | 0 | 0 | 111.6 | R1418 A1420 K1425 N1426 | R1418-Q1422 PolarHBondContact O-N 3.12Å; A1420-Q1422 PolarHBondContact O-N 2.83Å; Q1422-K1425 PolarHBondContact O-N 2.91Å; Q1422-N1426 WeakPolarHBondContact O-CB 3.31Å; Q1422-N1426 PolarHBondContact O-N 3.17Å; Q1422-N1426 PolarHBondContact O-OD1 3.48Å |
| 1423 | K | 51 | Low | 44.3 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -42.5 | 173.7 | -77.5 | 176.8 | 179.5 | 179.5 | 0 | 112.1 | T1419 A1420 W1421 N1426 F1427 | T1419-K1423 WeakPolarHBondContact O-CB 3.2Å; T1419-K1423 WeakPolarHBondContact O-CG 3.38Å; T1419-K1423 PolarHBondContact O-N 3.43Å; A1420-K1423 WeakPolarHBondContact O-CB 3.35Å; A1420-K1423 PolarHBondContact O-N 3.39Å; W1421-K1423 VanDerWaalsContact C-N 3.35Å; W1421-K1423 PolarHBondContact O-N 3.05Å; K1423-N1426 PolarHBondContact O-N 2.97Å; K1423-F1427 VanDerWaalsContact O-CB 3.3Å; K1423-F1427 WeakPolarHBondContact O-CB 3.34Å; K1423-F1427 PolarHBondContact O-N 3.15Å |
| 1424 | V | 50.1 | Low | 44.2 | Very low | 39 Ų | 39 | 120 Ų | 120 | 24% | 0.236 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -64.3 | -44.9 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | A1420 W1421 N1426 F1427 F1428 | A1420-V1424 WeakPolarHBondContact O-CG2 3.49Å; A1420-V1424 PolarHBondContact O-N 2.8Å; W1421-V1424 PolarHBondContact O-N 2.85Å; V1424-N1426 VanDerWaalsContact C-N 3.32Å; V1424-N1426 PolarHBondContact O-N 3.26Å; V1424-F1427 PolarHBondContact O-N 2.86Å; V1424-F1427 VanDerWaalsContact O-N 3.16Å; V1424-F1428 HydrophobicContact CG1-CD2 3.64Å; V1424-F1428 HydrophobicContact CG1-CE2 3.67Å; V1424-F1428 WeakPolarHBondContact O-CD2 3.41Å; V1424-F1428 PolarHBondContact O-N 3.39Å |
| 1425 | K | 43.8 | Very low | 44.1 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -41.4 | 176.2 | -144.9 | -177.8 | -172.8 | -167.2 | 0 | 111.6 | W1421 Q1422 S1429 | W1421-K1425 WeakPolarHBondContact O-CB 3.24Å; W1421-K1425 PolarHBondContact O-N 3.16Å; Q1422-K1425 PolarHBondContact O-N 2.91Å; K1425-S1429 WeakPolarHBondContact O-CB 3.34Å; K1425-S1429 PolarHBondContact O-N 3.41Å |
| 1426 | N | 48.2 | Very low | 44.3 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.3 | -33 | 174.9 | -70.8 | -3.3 | 0 | 0 | 0 | 113.1 | Q1422 K1423 V1424 R1430 | Q1422-N1426 WeakPolarHBondContact O-CB 3.31Å; Q1422-N1426 PolarHBondContact O-N 3.17Å; Q1422-N1426 PolarHBondContact O-OD1 3.48Å; K1423-N1426 PolarHBondContact O-N 2.97Å; V1424-N1426 VanDerWaalsContact C-N 3.32Å; V1424-N1426 PolarHBondContact O-N 3.26Å; N1426-R1430 WeakPolarHBondContact O-CB 3.25Å; N1426-R1430 WeakPolarHBondContact O-CG 3.41Å; N1426-R1430 PolarHBondContact O-N 2.82Å |
| 1427 | F | 54.1 | Low | 44.5 | Very low | 119 Ų | 119 | 113 Ų | 113 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -49.5 | 176.3 | 177.5 | -98.6 | 0 | 0 | 0 | 111.1 | K1423 V1424 R1430 L1431 | K1423-F1427 VanDerWaalsContact O-CB 3.3Å; K1423-F1427 WeakPolarHBondContact O-CB 3.34Å; K1423-F1427 PolarHBondContact O-N 3.15Å; V1424-F1427 PolarHBondContact O-N 2.86Å; V1424-F1427 VanDerWaalsContact O-N 3.16Å; F1427-R1430 PolarHBondContact O-N 3.32Å; F1427-L1431 HydrophobicContact CE1-CD1 3.88Å; F1427-L1431 HydrophobicContact CE2-CD1 4.17Å; F1427-L1431 HydrophobicContact CZ-CD1 3.68Å; F1427-L1431 PolarHBondContact O-N 3.06Å |
| 1428 | F | 43.8 | Very low | 45.4 | Very low | 43 Ų | 43 | 110.1 Ų | 110.1 | 19% | 0.189 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -63 | -42 | 173.2 | -78.8 | -71.2 | 0 | 0 | 0 | 111.5 | F1396 V1424 R1430 L1431 F1432 | F1396-F1428 HydrophobicContact CD2-CD2 4.27Å; F1396-F1428 AromaticContact CD2-CE2 3.88Å; F1396-F1428 HydrophobicContact CD2-CE2 3.88Å; F1396-F1428 HydrophobicContact CD2-CZ 4.05Å; F1396-F1428 AromaticContact CE2-CD2 4Å; F1396-F1428 HydrophobicContact CE2-CD2 4Å; F1396-F1428 AromaticContact CE2-CE2 3.84Å; F1396-F1428 HydrophobicContact CE2-CE2 3.84Å; F1396-F1428 HydrophobicContact CE2-CZ 4.47Å; V1424-F1428 HydrophobicContact CG1-CD2 3.64Å; V1424-F1428 HydrophobicContact CG1-CE2 3.67Å; V1424-F1428 WeakPolarHBondContact O-CD2 3.41Å; V1424-F1428 PolarHBondContact O-N 3.39Å; F1428-R1430 VanDerWaalsContact C-N 3.28Å; F1428-R1430 PolarHBondContact O-N 3.13Å; F1428-L1431 PolarHBondContact O-N 3.29Å; F1428-L1431 VanDerWaalsContact O-N 3.09Å; F1428-F1432 HydrophobicContact CB-CD2 4.37Å; F1428-F1432 HydrophobicContact CB-CE2 4.39Å; F1428-F1432 WeakPolarHBondContact O-CD2 3.43Å; F1428-F1432 PolarHBondContact O-N 3.02Å |
| 1429 | S | 41 | Very low | 46.7 | Very low | 57 Ų | 57 | 101.4 Ų | 101.4 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -54.7 | -41.2 | 172.1 | 168.8 | 0 | 0 | 0 | 0 | 112.8 | K1425 F1432 K1433 | K1425-S1429 WeakPolarHBondContact O-CB 3.34Å; K1425-S1429 PolarHBondContact O-N 3.41Å; S1429-F1432 PolarHBondContact O-N 2.94Å; S1429-K1433 PolarHBondContact O-N 2.65Å |
| 1430 | R | 44 | Very low | 48.3 | Very low | 204 Ų | 204 | 100.5 Ų | 100.5 | 77% | 0.77 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.9 | -38.1 | 174.2 | -77.4 | 178.1 | 178.2 | -169.7 | -1.5 | 113.2 | N1426 F1427 F1428 F1432 K1433 | N1426-R1430 WeakPolarHBondContact O-CB 3.25Å; N1426-R1430 WeakPolarHBondContact O-CG 3.41Å; N1426-R1430 PolarHBondContact O-N 2.82Å; F1427-R1430 PolarHBondContact O-N 3.32Å; F1428-R1430 VanDerWaalsContact C-N 3.28Å; F1428-R1430 PolarHBondContact O-N 3.13Å; R1430-F1432 VanDerWaalsContact C-N 3.34Å; R1430-K1433 PolarHBondContact O-N 2.94Å |
| 1431 | L | 40.8 | Very low | 50 | Low | 103 Ų | 103 | 99 Ų | 99 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 173.2 | -119.6 | 89.3 | 0 | 0 | 0 | 111.5 | F1427 F1428 S1434 | F1427-L1431 HydrophobicContact CE1-CD1 3.88Å; F1427-L1431 HydrophobicContact CE2-CD1 4.17Å; F1427-L1431 HydrophobicContact CZ-CD1 3.68Å; F1427-L1431 PolarHBondContact O-N 3.06Å; F1428-L1431 PolarHBondContact O-N 3.29Å; F1428-L1431 VanDerWaalsContact O-N 3.09Å; L1431-S1434 VanDerWaalsContact O-CB 3.29Å; L1431-S1434 WeakPolarHBondContact O-CB 3.19Å; L1431-S1434 PolarHBondContact O-N 3.32Å |
| 1432 | F | 41.2 | Very low | 52 | Low | 113 Ų | 113 | 96.8 Ų | 96.8 | 50% | 0.496 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.9 | -34.5 | 177.5 | -80.7 | -66.5 | 0 | 0 | 0 | 113 | L1392 F1428 S1429 R1430 S1434 Y1435 | L1392-F1432 HydrophobicContact CD2-CE1 3.57Å; L1392-F1432 HydrophobicContact CD2-CE2 4.07Å; L1392-F1432 HydrophobicContact CD2-CZ 3.25Å; F1428-F1432 HydrophobicContact CB-CD2 4.37Å; F1428-F1432 HydrophobicContact CB-CE2 4.39Å; F1428-F1432 WeakPolarHBondContact O-CD2 3.43Å; F1428-F1432 PolarHBondContact O-N 3.02Å; S1429-F1432 PolarHBondContact O-N 2.94Å; R1430-F1432 VanDerWaalsContact C-N 3.34Å; F1432-S1434 PolarHBondContact O-N 2.99Å; F1432-S1434 VanDerWaalsContact O-N 3.09Å; F1432-Y1435 PolarHBondContact O-N 3.09Å; F1432-Y1435 VanDerWaalsContact O-N 3.09Å |
| 1433 | K | 39.7 | Very low | 54 | Low | 157 Ų | 157 | 91.9 Ų | 91.9 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -3.3 | 171.3 | -79.5 | -157 | 172.4 | -154.2 | 0 | 114.5 | S1429 R1430 | S1429-K1433 PolarHBondContact O-N 2.65Å; R1430-K1433 PolarHBondContact O-N 2.94Å |
| 1434 | S | 39.1 | Very low | 55.7 | Low | 93 Ų | 93 | 93 Ų | 93 | 65% | 0.65 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.6 | 171.5 | -169.8 | 0 | 0 | 0 | 0 | 113.6 | L1431 F1432 D1436 | L1431-S1434 VanDerWaalsContact O-CB 3.29Å; L1431-S1434 WeakPolarHBondContact O-CB 3.19Å; L1431-S1434 PolarHBondContact O-N 3.32Å; F1432-S1434 PolarHBondContact O-N 2.99Å; F1432-S1434 VanDerWaalsContact O-N 3.09Å; S1434-D1436 PolarHBondContact O-N 3.25Å |
| 1435 | Y | 37.6 | Very low | 57.4 | Low | 163 Ų | 163 | 92 Ų | 92 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -92.4 | 86.1 | 173.8 | -133.4 | -83.4 | 0 | 0 | 0 | 108.8 | F1432 G1437 | F1432-Y1435 PolarHBondContact O-N 3.09Å; F1432-Y1435 VanDerWaalsContact O-N 3.09Å; Y1435-G1437 PolarHBondContact O-N 3.12Å; Y1435-G1437 VanDerWaalsContact O-N 3.08Å |
| 1436 | D | 45.8 | Very low | 59.6 | Low | 158 Ų | 158 | 85.4 Ų | 85.4 | 85% | 0.845 | 43% | 0.431 | S | S | * | . | trans | -59.2 | 108.6 | 179.8 | -76.6 | -37.7 | 0 | 0 | 0 | 111 | S1434 | S1434-D1436 PolarHBondContact O-N 3.25Š| ||
| 1437 | G | 51.9 | Low | 61.8 | Low | 36 Ų | 36 | 81.8 Ų | 81.8 | 37% | 0.371 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 78.2 | 130.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y1435 | Y1435-G1437 PolarHBondContact O-N 3.12Å; Y1435-G1437 VanDerWaalsContact O-N 3.08Å |
| 1438 | A | 58.4 | Low | 63.7 | Low | 30 Ų | 30 | 76.1 Ų | 76.1 | 25% | 0.248 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 132.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I1380 L1440 | I1380-A1438 HydrophobicContact CD1-CB 3.69Å; I1380-A1438 HydrophobicContact CG1-CB 3.87Å; I1380-A1438 HydrophobicContact CG2-CB 3.9Å; A1438-L1440 PolarHBondContact O-N 2.75Å |
| 1439 | P | 68.6 | Low | 66.1 | Low | 34 Ų | 34 | 75.8 Ų | 75.8 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 126.3 | -174.5 | 25.6 | -33.9 | 0 | 0 | 0 | 111.1 | D1381 I1384 | D1381-P1439 PolarHBondContact N-O 2.94Å; I1384-P1439 HydrophobicContact CB-CG 3.78Å; I1384-P1439 HydrophobicContact CD1-CB 3.92Å; I1384-P1439 HydrophobicContact CD1-CG 4.07Å; I1384-P1439 HydrophobicContact CG2-CB 4.42Å; I1384-P1439 HydrophobicContact CG2-CG 3.76Å |
| 1440 | L | 78 | Confident | 68.6 | Low | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -82.6 | 146.7 | 176.4 | -62.5 | 177.3 | 0 | 0 | 0 | 110.8 | L1379 I1380 A1438 V1470 A1472 | L1379-L1440 HydrophobicContact CB-CD2 4.16Å; L1379-L1440 WeakPolarHBondContact O-CA 3.14Å; I1380-L1440 HydrophobicContact CG1-CD2 4.11Å; A1438-L1440 PolarHBondContact O-N 2.75Å; L1440-V1470 HydrophobicContact CB-CG2 4.38Å; L1440-V1470 HydrophobicContact CD1-CG2 4.3Å; L1440-A1472 HydrophobicContact CD1-CB 4.1Å; L1440-A1472 HydrophobicContact CD2-CB 3.74Å |
| 1441 | V | 83.8 | Confident | 70.8 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 144.4 | 170.3 | -61.2 | 0 | 0 | 0 | 0 | 110.6 | L1347 L1379 D1381 A1443 V1446 | L1347-V1441 HydrophobicContact CD2-CG2 4.19Å; L1379-V1441 HydrophobicContact CB-CG2 4.46Å; L1379-V1441 HydrophobicContact CD2-CG2 4.47Å; L1379-V1441 WeakPolarHBondContact O-CG2 3.09Å; L1379-V1441 PolarHBondContact O-N 2.79Å; D1381-V1441 HydrophobicContact CB-CG1 3.98Å; V1441-A1443 PolarHBondContact O-N 3.06Å; V1441-V1446 HydrophobicContact CG2-CG2 3.76Å |
| 1442 | D | 85 | Confident | 73.1 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 129.5 | 171 | -179 | -12.8 | 0 | 0 | 0 | 109.6 | K1444 S1445 | D1442-K1444 PolarHBondContact O-N 3.04Å; D1442-K1444 VanDerWaalsContact O-N 3.11Å; D1442-K1444 WeakPolarHBondContact OD1-CB 3.42Å; D1442-K1444 WeakPolarHBondContact OD1-CG 3.38Å; D1442-K1444 PolarHBondContact OD1-N 3.05Å; D1442-S1445 VanDerWaalsContact O-CB 3.29Å; D1442-S1445 WeakPolarHBondContact O-CB 3.36Å; D1442-S1445 PolarHBondContact O-N 3.15Å; D1442-S1445 PolarHBondContact O-OG 3.42Å |
| 1443 | A | 87.2 | Confident | 75.3 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -52.7 | -32.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1441 S1445 V1446 A1467 V1470 | V1441-A1443 PolarHBondContact O-N 3.06Å; A1443-S1445 PolarHBondContact O-N 2.91Å; A1443-V1446 WeakPolarHBondContact O-CB 3.42Å; A1443-V1446 PolarHBondContact O-N 2.91Å; A1443-A1467 HydrophobicContact CB-CB 4.17Å; A1443-V1470 HydrophobicContact CB-CG1 4.39Å |
| 1444 | K | 86.8 | Confident | 77.6 | Confident | 181 Ų | 181 | 47.8 Ų | 47.8 | 79% | 0.787 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -61.8 | -23.3 | 175.3 | -63.9 | 173.5 | -179.1 | 175.2 | 0 | 113.4 | D1442 V1446 | D1442-K1444 PolarHBondContact O-N 3.04Å; D1442-K1444 VanDerWaalsContact O-N 3.11Å; D1442-K1444 WeakPolarHBondContact OD1-CB 3.42Å; D1442-K1444 WeakPolarHBondContact OD1-CG 3.38Å; D1442-K1444 PolarHBondContact OD1-N 3.05Å; K1444-V1446 VanDerWaalsContact C-N 3.33Å |
| 1445 | S | 86.1 | Confident | 79.6 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 13% | 0.126 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -79.1 | -15.7 | 173.8 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | K1348 D1442 A1443 | K1348-S1445 PolarHBondContact N-O 2.96Å; D1442-S1445 VanDerWaalsContact O-CB 3.29Å; D1442-S1445 WeakPolarHBondContact O-CB 3.36Å; D1442-S1445 PolarHBondContact O-N 3.15Å; D1442-S1445 PolarHBondContact O-OG 3.42Å; A1443-S1445 PolarHBondContact O-N 2.91Å |
| 1446 | V | 91.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 120.3 | -171.9 | -170 | 0 | 0 | 0 | 0 | 110.7 | I1345 L1347 L1379 V1441 A1443 K1444 A1467 V1470 I1487 | I1345-V1446 HydrophobicContact CG2-CG1 3.92Å; L1347-V1446 HydrophobicContact CD2-CB 4.08Å; L1347-V1446 HydrophobicContact CD2-CG1 3.92Å; L1347-V1446 HydrophobicContact CD2-CG2 3.67Å; L1379-V1446 HydrophobicContact CD2-CG2 4.47Å; V1441-V1446 HydrophobicContact CG2-CG2 3.76Å; A1443-V1446 WeakPolarHBondContact O-CB 3.42Å; A1443-V1446 PolarHBondContact O-N 2.91Å; K1444-V1446 VanDerWaalsContact C-N 3.33Å; V1446-A1467 HydrophobicContact CB-CB 3.78Å; V1446-A1467 HydrophobicContact CG1-CB 4.08Å; V1446-A1467 PolarHBondContact O-N 2.83Å; V1446-V1470 HydrophobicContact CG2-CG1 4.38Å; V1446-I1487 HydrophobicContact CG1-CD1 4.12Å |
| 1447 | T | 93.1 | Very high | 82.7 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.2 | 171.5 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | H1346 F1449 K1464 | H1346-T1447 PolarHBondContact N-O 2.96Å; H1346-T1447 PolarHBondContact O-N 2.88Å; T1447-F1449 HydrophobicContact CG2-CD2 4.19Å; T1447-F1449 HydrophobicContact CG2-CE2 3.55Å; T1447-F1449 HydrophobicContact CG2-CZ 3.85Å; T1447-K1464 HydrophobicContact CG2-CD 4.28Å; T1447-K1464 HydrophobicContact CG2-CG 3.62Å |
| 1448 | V | 94.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.6 | 175.8 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | A1343 F1344 I1345 I1372 L1450 K1464 L1465 I1487 L1489 | A1343-V1448 HydrophobicContact CB-CG1 3.94Å; F1344-V1448 CarbonylContact O-C 3.52Å; I1345-V1448 HydrophobicContact CG1-CG2 4.46Å; I1372-V1448 HydrophobicContact CD1-CG1 4.17Å; I1372-V1448 HydrophobicContact CG1-CG1 4.04Å; I1372-V1448 HydrophobicContact CG1-CG2 4.41Å; V1448-L1450 HydrophobicContact CG1-CD2 4.46Å; V1448-L1450 HydrophobicContact CG1-CG 4.37Å; V1448-K1464 WeakPolarHBondContact O-CA 3.48Å; V1448-L1465 PolarHBondContact N-O 2.85Å; V1448-L1465 PolarHBondContact O-N 3.02Å; V1448-I1487 HydrophobicContact CG2-CD1 4.41Å; V1448-I1487 HydrophobicContact CG2-CG2 4.4Å; V1448-L1489 HydrophobicContact CB-CD2 3.69Å; V1448-L1489 HydrophobicContact CG1-CD2 4.13Å; V1448-L1489 HydrophobicContact CG2-CD2 3.7Å |
| 1449 | F | 94.4 | Very high | 83.8 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.9 | 172.4 | -59.1 | -106.1 | 0 | 0 | 0 | 110.1 | A1343 F1344 H1346 T1447 V1452 M1462 R1463 K1464 | A1343-F1449 WeakPolarHBondContact CA-O 3.34Å; F1344-F1449 HydrophobicContact CB-CB 4.29Å; F1344-F1449 AromaticContact CD1-CD2 3.88Å; F1344-F1449 HydrophobicContact CD1-CD2 3.88Å; F1344-F1449 HydrophobicContact CD1-CE2 4.46Å; F1344-F1449 HydrophobicContact CD1-CG 4.47Å; F1344-F1449 PolarHBondContact N-O 2.85Å; F1344-F1449 PolarHBondContact O-N 3.37Å; H1346-F1449 HydrophobicContact CB-CE2 4.03Å; T1447-F1449 HydrophobicContact CG2-CD2 4.19Å; T1447-F1449 HydrophobicContact CG2-CE2 3.55Å; T1447-F1449 HydrophobicContact CG2-CZ 3.85Å; F1449-V1452 HydrophobicContact CB-CG1 4.11Å; F1449-M1462 HydrophobicContact CB-SD 4.45Å; F1449-M1462 HydrophobicContact CD1-CE 3.84Å; F1449-M1462 HydrophobicContact CD1-SD 3.72Å; F1449-M1462 HydrophobicContact CE1-CE 4.18Å; F1449-R1463 CarbonylContact C-O 3.52Å; F1449-R1463 WeakPolarHBondContact CA-O 3.43Å; F1449-K1464 HydrophobicContact CD1-CB 3.8Å; F1449-K1464 HydrophobicContact CD1-CG 3.95Å; F1449-K1464 HydrophobicContact CE1-CB 3.77Å; F1449-K1464 HydrophobicContact CE1-CD 3.73Å; F1449-K1464 HydrophobicContact CE1-CG 3.51Å; F1449-K1464 HydrophobicContact CZ-CD 3.98Å; F1449-K1464 HydrophobicContact CZ-CG 3.84Å |
| 1450 | L | 94 | Very high | 83.6 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 153.1 | 178.9 | -65.6 | 173.6 | 0 | 0 | 0 | 110.8 | A1343 L1360 I1372 V1448 V1452 M1462 R1463 L1465 L1489 V1493 I1499 | A1343-L1450 HydrophobicContact CB-CD2 3.74Å; L1360-L1450 HydrophobicContact CB-CD2 4.22Å; L1360-L1450 HydrophobicContact CD1-CD1 4.24Å; L1360-L1450 HydrophobicContact CD2-CD1 4.34Å; I1372-L1450 HydrophobicContact CD1-CD1 4.45Å; I1372-L1450 HydrophobicContact CD1-CD2 3.95Å; V1448-L1450 HydrophobicContact CG1-CD2 4.46Å; V1448-L1450 HydrophobicContact CG1-CG 4.37Å; L1450-V1452 PolarHBondContact O-N 2.8Å; L1450-M1462 CarbonylContact O-C 3.59Å; L1450-M1462 VanDerWaalsContact O-CA 3.29Å; L1450-M1462 WeakPolarHBondContact O-CA 3.08Å; L1450-M1462 WeakPolarHBondContact O-CG 3.33Å; L1450-R1463 PolarHBondContact N-O 2.91Å; L1450-R1463 PolarHBondContact O-N 3.05Å; L1450-L1465 HydrophobicContact CD1-CD1 4.12Å; L1450-L1489 HydrophobicContact CD1-CD1 4.11Å; L1450-V1493 HydrophobicContact CD1-CB 4.45Å; L1450-V1493 HydrophobicContact CD1-CG1 4.25Å; L1450-V1493 HydrophobicContact CD1-CG2 4.07Å; L1450-I1499 HydrophobicContact CB-CD1 3.89Å; L1450-I1499 HydrophobicContact CB-CG1 4.12Å; L1450-I1499 HydrophobicContact CB-CG2 4.31Å; L1450-I1499 HydrophobicContact CD1-CG2 4.23Å |
| 1451 | G | 89.6 | Confident | 83.2 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 71.3 | 7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1337 | H1337-G1451 PolarHBondContact CE1-O 3.36Å; H1337-G1451 PolarHBondContact ND1-O 2.99Å |
| 1452 | V | 88.4 | Confident | 83.1 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | trans | -83.4 | 137.9 | -179.4 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | F1344 F1449 L1450 M1462 W1523 | F1344-V1452 HydrophobicContact CB-CG1 4.26Å; F1449-V1452 HydrophobicContact CB-CG1 4.11Å; L1450-V1452 PolarHBondContact O-N 2.8Å; V1452-M1462 HydrophobicContact CB-CG 3.96Å; V1452-M1462 HydrophobicContact CB-SD 3.95Å; V1452-M1462 HydrophobicContact CG2-SD 4.08Å; V1452-W1523 HydrophobicContact CG1-CH2 3.86Å; V1452-W1523 HydrophobicContact CG1-CZ2 3.78Å; V1452-W1523 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 1453 | H | 88.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 6% | 0.06 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -106.3 | -55.2 | 166 | -177.2 | 65.7 | 0 | 0 | 0 | 111.1 | E1333 A1334 V1336 W1523 K1534 L1535 | E1333-H1453 IonicContact OE1-NE2 2.67Å; E1333-H1453 PolarHBondContact OE1-NE2 2.89Å; A1334-H1453 PolarHBondContact O-CE1 3.14Å; V1336-H1453 HydrophobicContact CG1-CB 3.81Å; H1453-W1523 PolarHBondContact O-NE1 2.83Å; H1453-K1534 CarbonylContact O-C 3.49Å; H1453-K1534 VanDerWaalsContact O-CA 3.26Å; H1453-K1534 WeakPolarHBondContact O-CA 3Å; H1453-L1535 PolarHBondContact O-N 2.85Å |
| 1454 | D | 88.5 | Confident | 83.4 | Confident | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -105.1 | 110.7 | 172.6 | -165.4 | -39 | 0 | 0 | 0 | 110.1 | K1456 R1457 T1533 K1534 | D1454-K1456 PolarHBondContact O-N 2.87Å; D1454-K1456 WeakPolarHBondContact OD1-CA 3.19Å; D1454-K1456 WeakPolarHBondContact OD1-CB 3.36Å; D1454-K1456 PolarHBondContact OD1-N 2.87Å; D1454-R1457 HydrophobicContact CB-CB 4.11Å; D1454-R1457 CarbonylContact O-C 3.59Å; D1454-R1457 PolarHBondContact O-N 2.66Å; D1454-R1457 VanDerWaalsContact O-N 3.12Å; D1454-R1457 VanDerWaalsContact O-O 3.09Å; D1454-R1457 PolarHBondContact OD1-N 2.66Å; D1454-T1533 CarbonylContact C-O 3.57Å; D1454-T1533 VanDerWaalsContact CA-O 3.28Å; D1454-T1533 WeakPolarHBondContact CA-O 2.99Å; D1454-T1533 VanDerWaalsContact OD1-CB 3.31Å; D1454-T1533 WeakPolarHBondContact OD1-CB 3.44Å; D1454-T1533 PolarHBondContact OD1-OG1 3.42Å; D1454-T1533 PolarHBondContact OD2-OG1 2.91Å; D1454-T1533 VanDerWaalsContact OD2-OG1 3.14Å; D1454-K1534 HydrophobicContact CB-CG 3.93Å; D1454-K1534 WeakPolarHBondContact OD2-CG 3.39Å |
| 1455 | Y | 79.4 | Confident | 83.6 | Confident | 52 Ų | 52 | 55 Ų | 55 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -14.9 | -178.3 | 74.4 | -109.5 | 0 | 0 | 0 | 113.3 | F1344 W1523 G1532 T1533 | F1344-Y1455 HydrophobicContact CD2-CD1 4.35Å; F1344-Y1455 AromaticContact CE2-CD1 3.78Å; F1344-Y1455 HydrophobicContact CE2-CD1 3.78Å; F1344-Y1455 HydrophobicContact CE2-CE1 4.09Å; F1344-Y1455 HydrophobicContact CE2-CG 4.23Å; F1344-Y1455 HydrophobicContact CZ-CD1 4.07Å; F1344-Y1455 HydrophobicContact CZ-CD2 4.4Å; F1344-Y1455 HydrophobicContact CZ-CE1 4.36Å; F1344-Y1455 HydrophobicContact CZ-CG 4.11Å; Y1455-W1523 HydrophobicContact CD1-CB 4.23Å; Y1455-W1523 AromaticContact CD1-CD1 3.65Å; Y1455-W1523 AromaticContact CD1-CG 3.98Å; Y1455-W1523 HydrophobicContact CD1-CG 3.98Å; Y1455-W1523 HydrophobicContact CE1-CB 4.15Å; Y1455-W1523 HydrophobicContact CE1-CG 4.35Å; Y1455-G1532 WeakPolarHBondContact CE1-O 3.45Å; Y1455-T1533 WeakPolarHBondContact CD1-O 3.37Å; Y1455-T1533 PolarHBondContact N-O 2.85Å |
| 1456 | K | 77.5 | Confident | 83.9 | Confident | 141 Ų | 141 | 57.9 Ų | 57.9 | 61% | 0.613 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.7 | 172.7 | -63.7 | -157.8 | -179.9 | -173.9 | 0 | 113.1 | D1454 T1533 | D1454-K1456 PolarHBondContact O-N 2.87Å; D1454-K1456 WeakPolarHBondContact OD1-CA 3.19Å; D1454-K1456 WeakPolarHBondContact OD1-CB 3.36Å; D1454-K1456 PolarHBondContact OD1-N 2.87Å; K1456-T1533 HydrophobicContact CB-CG2 4.46Å; K1456-T1533 HydrophobicContact CD-CG2 3.62Å; K1456-T1533 HydrophobicContact CG-CG2 3.89Å |
| 1457 | R | 72.8 | Confident | 83.9 | Confident | 201 Ų | 201 | 58.3 Ų | 58.3 | 76% | 0.758 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -130.8 | 71.8 | 175.8 | -67.9 | -176.6 | 175.1 | -173.1 | -2.6 | 108.8 | D1454 S1459 | D1454-R1457 HydrophobicContact CB-CB 4.11Å; D1454-R1457 CarbonylContact O-C 3.59Å; D1454-R1457 PolarHBondContact O-N 2.66Å; D1454-R1457 VanDerWaalsContact O-N 3.12Å; D1454-R1457 VanDerWaalsContact O-O 3.09Å; D1454-R1457 PolarHBondContact OD1-N 2.66Å; R1457-S1459 PolarHBondContact O-N 3.33Å |
| 1458 | P | 64.5 | Low | 83.9 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | trans | -59.8 | 124 | -175.4 | 25.5 | -35.2 | 0 | 0 | 0 | 111.2 | M1462 | P1458-M1462 HydrophobicContact CB-CE 3.38Å; P1458-M1462 HydrophobicContact CB-SD 3.54Å; P1458-M1462 VanDerWaalsContact CB-SD 3.54Å; P1458-M1462 HydrophobicContact CG-CE 4.37Å | ||
| 1459 | S | 68.5 | Low | 83.8 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | trans | -72.9 | 149.3 | 173.4 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | R1457 A1461 M1462 | R1457-S1459 PolarHBondContact O-N 3.33Å; S1459-A1461 PolarHBondContact O-N 2.86Å; S1459-M1462 WeakPolarHBondContact O-CB 3.38Å; S1459-M1462 PolarHBondContact O-N 2.97Å | ||
| 1460 | R | 63.8 | Low | 83.7 | Confident | 168 Ų | 168 | 61.8 Ų | 61.8 | 63% | 0.634 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -30.3 | 177.3 | -75.7 | -176.6 | 175.5 | 160.5 | -2.6 | 114.7 | D1162 M1462 | D1162-R1460 IonicContact OD2-CZ 3.97Å; D1162-R1460 IonicContact OD2-NE 2.73Å; D1162-R1460 PolarHBondContact OD2-NE 2.98Å; D1162-R1460 IonicContact OD2-NH2 2.61Å; D1162-R1460 PolarHBondContact OD2-NH2 2.82Å; R1460-M1462 VanDerWaalsContact C-N 3.29Å; R1460-M1462 PolarHBondContact O-N 3.3Å |
| 1461 | A | 69 | Low | 83.6 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 35% | 0.347 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 0.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1459 V1498 | S1459-A1461 PolarHBondContact O-N 2.86Å; A1461-V1498 HydrophobicContact CB-CG2 3.6Å |
| 1462 | M | 81.9 | Confident | 83.6 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 21% | 0.207 | 32% | 0.324 | C | S | . | . | trans | -71 | 137.4 | 175.3 | -178.1 | -173.8 | 78.3 | 0 | 0 | 111 | F1449 L1450 V1452 P1458 S1459 R1460 | F1449-M1462 HydrophobicContact CB-SD 4.45Å; F1449-M1462 HydrophobicContact CD1-CE 3.84Å; F1449-M1462 HydrophobicContact CD1-SD 3.72Å; F1449-M1462 HydrophobicContact CE1-CE 4.18Å; L1450-M1462 CarbonylContact O-C 3.59Å; L1450-M1462 VanDerWaalsContact O-CA 3.29Å; L1450-M1462 WeakPolarHBondContact O-CA 3.08Å; L1450-M1462 WeakPolarHBondContact O-CG 3.33Å; V1452-M1462 HydrophobicContact CB-CG 3.96Å; V1452-M1462 HydrophobicContact CB-SD 3.95Å; V1452-M1462 HydrophobicContact CG2-SD 4.08Å; P1458-M1462 HydrophobicContact CB-CE 3.38Å; P1458-M1462 HydrophobicContact CB-SD 3.54Å; P1458-M1462 VanDerWaalsContact CB-SD 3.54Å; P1458-M1462 HydrophobicContact CG-CE 4.37Å; S1459-M1462 WeakPolarHBondContact O-CB 3.38Å; S1459-M1462 PolarHBondContact O-N 2.97Å; R1460-M1462 VanDerWaalsContact C-N 3.29Å; R1460-M1462 PolarHBondContact O-N 3.3Å | ||
| 1463 | R | 86.5 | Confident | 83.4 | Confident | 144 Ų | 144 | 64.2 Ų | 64.2 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.8 | 169.8 | -60.2 | -62.3 | -172 | 158.9 | 4.5 | 109.9 | F1449 L1450 L1465 I1499 | F1449-R1463 CarbonylContact C-O 3.52Å; F1449-R1463 WeakPolarHBondContact CA-O 3.43Å; L1450-R1463 PolarHBondContact N-O 2.91Å; L1450-R1463 PolarHBondContact O-N 3.05Å; R1463-L1465 HydrophobicContact CB-CD1 4.3Å; R1463-L1465 HydrophobicContact CB-CG 4.36Å; R1463-I1499 HydrophobicContact CB-CD1 4.05Å; R1463-I1499 HydrophobicContact CG-CD1 3.52Å |
| 1464 | K | 91.4 | Very high | 83 | Confident | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.4 | 170.9 | 176 | -170.4 | 173.7 | -163.6 | 0 | 108.5 | T1447 V1448 F1449 | T1447-K1464 HydrophobicContact CG2-CD 4.28Å; T1447-K1464 HydrophobicContact CG2-CG 3.62Å; V1448-K1464 WeakPolarHBondContact O-CA 3.48Å; F1449-K1464 HydrophobicContact CD1-CB 3.8Å; F1449-K1464 HydrophobicContact CD1-CG 3.95Å; F1449-K1464 HydrophobicContact CE1-CB 3.77Å; F1449-K1464 HydrophobicContact CE1-CD 3.73Å; F1449-K1464 HydrophobicContact CE1-CG 3.51Å; F1449-K1464 HydrophobicContact CZ-CD 3.98Å; F1449-K1464 HydrophobicContact CZ-CG 3.84Å |
| 1465 | L | 91.5 | Very high | 82.4 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.9 | -170.1 | -59.9 | 169.5 | 0 | 0 | 0 | 109.8 | V1448 L1450 R1463 L1489 K1491 V1493 | V1448-L1465 PolarHBondContact N-O 2.85Å; V1448-L1465 PolarHBondContact O-N 3.02Å; L1450-L1465 HydrophobicContact CD1-CD1 4.12Å; R1463-L1465 HydrophobicContact CB-CD1 4.3Å; R1463-L1465 HydrophobicContact CB-CG 4.36Å; L1465-L1489 HydrophobicContact CB-CD2 4.07Å; L1465-L1489 HydrophobicContact CD1-CD1 3.86Å; L1465-K1491 HydrophobicContact CD2-CD 4.29Å; L1465-K1491 HydrophobicContact CD2-CG 3.95Å; L1465-V1493 HydrophobicContact CD1-CG2 3.29Å |
| 1466 | P | 92.5 | Very high | 82 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 154.1 | 170.1 | 31.9 | -33.9 | 0 | 0 | 0 | 110.4 | G1490 | P1466-G1490 PolarHBondContact O-N 2.81Å |
| 1467 | A | 92.4 | Very high | 81.4 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 140.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A1443 V1446 V1470 I1487 K1488 | A1443-A1467 HydrophobicContact CB-CB 4.17Å; V1446-A1467 HydrophobicContact CB-CB 3.78Å; V1446-A1467 HydrophobicContact CG1-CB 4.08Å; V1446-A1467 PolarHBondContact O-N 2.83Å; A1467-V1470 HydrophobicContact CB-CG1 4.42Å; A1467-I1487 HydrophobicContact CB-CG2 3.41Å; A1467-I1487 VanDerWaalsContact CB-CG2 3.41Å; A1467-K1488 CarbonylContact C-O 3.52Å; A1467-K1488 WeakPolarHBondContact CA-O 3.18Å |
| 1468 | A | 91.6 | Very high | 80.9 | Confident | 62 Ų | 62 | 64 Ų | 64 | 51% | 0.512 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -41.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1488 | A1468-K1488 PolarHBondContact N-O 2.81Å |
| 1469 | A | 92.7 | Very high | 81.2 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 158.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1488 L1626 | A1469-K1488 PolarHBondContact O-N 3.11Å; A1469-L1626 HydrophobicContact CB-CD2 3.51Å |
| 1470 | V | 93 | Very high | 81.1 | Confident | 25 Ų | 25 | 63 Ų | 63 | 15% | 0.152 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.1 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | L1379 L1440 A1443 V1446 A1467 L1486 I1487 | L1379-V1470 HydrophobicContact CD1-CB 3.97Å; L1379-V1470 HydrophobicContact CD1-CG1 3.98Å; L1440-V1470 HydrophobicContact CB-CG2 4.38Å; L1440-V1470 HydrophobicContact CD1-CG2 4.3Å; A1443-V1470 HydrophobicContact CB-CG1 4.39Å; V1446-V1470 HydrophobicContact CG2-CG1 4.38Å; A1467-V1470 HydrophobicContact CB-CG1 4.42Å; V1470-L1486 WeakPolarHBondContact CA-O 3.45Å; V1470-I1487 HydrophobicContact CG1-CB 4.43Å; V1470-I1487 HydrophobicContact CG1-CG1 4.09Å; V1470-I1487 HydrophobicContact CG1-CG2 4.15Å |
| 1471 | V | 91.8 | Very high | 81.8 | Confident | 33 Ų | 33 | 56 Ų | 56 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132.7 | 174.7 | 167.7 | 0 | 0 | 0 | 0 | 108.4 | A1485 L1486 W1618 A1622 L1626 | V1471-A1485 CarbonylContact O-C 3.57Å; V1471-A1485 VanDerWaalsContact O-CA 3.24Å; V1471-A1485 WeakPolarHBondContact O-CA 3.1Å; V1471-A1485 WeakPolarHBondContact O-CB 3.15Å; V1471-L1486 PolarHBondContact N-O 3.45Å; V1471-L1486 PolarHBondContact O-N 3.3Å; V1471-W1618 HydrophobicContact CG1-CH2 4.46Å; V1471-W1618 HydrophobicContact CG1-CZ2 3.92Å; V1471-A1622 HydrophobicContact CG1-CB 3.77Å; V1471-L1626 HydrophobicContact CB-CD1 4.41Å; V1471-L1626 HydrophobicContact CB-CD2 4.34Å; V1471-L1626 HydrophobicContact CB-CG 4.31Å; V1471-L1626 HydrophobicContact CG2-CD1 4.5Å; V1471-L1626 HydrophobicContact CG2-CD2 3.72Å; V1471-L1626 HydrophobicContact CG2-CG 3.87Å |
| 1472 | A | 89.7 | Confident | 82.5 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 158.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1376 L1440 A1485 W1618 | A1376-A1472 HydrophobicContact CB-CB 3.97Å; L1440-A1472 HydrophobicContact CD1-CB 4.1Å; L1440-A1472 HydrophobicContact CD2-CB 3.74Å; A1472-A1485 HydrophobicContact CB-CB 4Å; A1472-W1618 VanDerWaalsContact C-CZ2 3.41Å |
| 1473 | G | 84 | Confident | 82.9 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | trans | -69.3 | 170.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1475 I1484 | G1473-F1475 VanDerWaalsContact C-N 3.26Å; G1473-F1475 PolarHBondContact O-N 3.05Å; G1473-I1484 PolarHBondContact N-O 2.79Å | ||
| 1474 | D | 80.5 | Confident | 83.3 | Confident | 115 Ų | 115 | 48.4 Ų | 48.4 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | trans | -80 | 76.6 | -178.4 | -166.7 | 25.4 | 0 | 0 | 0 | 110.4 | D1476 E1482 | D1474-D1476 PolarHBondContact O-N 2.92Å; D1474-E1482 PolarHBondContact N-OE2 2.7Å | ||
| 1475 | F | 75.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 42.2 Ų | 42.2 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | trans | -73.7 | 107.1 | -170.4 | 176.7 | -100.2 | 0 | 0 | 0 | 112.3 | A1376 H1377 I1380 G1473 Y1477 A1480 T1481 D1483 | A1376-F1475 HydrophobicContact CB-CB 3.7Å; A1376-F1475 HydrophobicContact CB-CD2 4.43Å; A1376-F1475 HydrophobicContact CB-CG 4.15Å; H1377-F1475 HydrophobicContact CB-CE1 4.01Å; H1377-F1475 HydrophobicContact CB-CE2 4.48Å; H1377-F1475 HydrophobicContact CB-CZ 3.99Å; I1380-F1475 HydrophobicContact CD1-CB 4.01Å; I1380-F1475 HydrophobicContact CD1-CD1 3.45Å; I1380-F1475 VanDerWaalsContact CD1-CD1 3.45Å; I1380-F1475 HydrophobicContact CD1-CE1 4.31Å; I1380-F1475 HydrophobicContact CD1-CG 4.06Å; G1473-F1475 VanDerWaalsContact C-N 3.26Å; G1473-F1475 PolarHBondContact O-N 3.05Å; F1475-Y1477 AromaticContact CD1-CD2 3.86Å; F1475-Y1477 HydrophobicContact CD1-CD2 3.86Å; F1475-Y1477 AromaticContact CD1-CE2 3.9Å; F1475-Y1477 HydrophobicContact CD1-CE2 3.9Å; F1475-Y1477 HydrophobicContact CD1-CG 4.33Å; F1475-Y1477 AromaticContact CE1-CD1 3.8Å; F1475-Y1477 HydrophobicContact CE1-CD1 3.8Å; F1475-Y1477 AromaticContact CE1-CD2 3.65Å; F1475-Y1477 HydrophobicContact CE1-CD2 3.65Å; F1475-Y1477 AromaticContact CE1-CE1 3.89Å; F1475-Y1477 HydrophobicContact CE1-CE1 3.89Å; F1475-Y1477 AromaticContact CE1-CE2 3.74Å; F1475-Y1477 HydrophobicContact CE1-CE2 3.74Å; F1475-Y1477 AromaticContact CE1-CG 3.69Å; F1475-Y1477 HydrophobicContact CE1-CG 3.69Å; F1475-Y1477 AromaticContact CE1-CZ 3.86Å; F1475-Y1477 HydrophobicContact CZ-CD1 4.49Å; F1475-A1480 HydrophobicContact CE2-CB 4.45Å; F1475-T1481 WeakPolarHBondContact CA-O 3.31Å; F1475-T1481 VanDerWaalsContact CD2-O 3.25Å; F1475-T1481 WeakPolarHBondContact CD2-O 3.35Å; F1475-D1483 HydrophobicContact CD2-CB 3.57Å; F1475-D1483 HydrophobicContact CE2-CB 3.62Å | ||
| 1476 | D | 70.4 | Confident | 83.6 | Confident | 51 Ų | 51 | 41.9 Ų | 41.9 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -82.3 | 119.2 | 171.3 | -165.5 | -32.6 | 0 | 0 | 0 | 110.1 | D1474 E1478 A1480 | D1474-D1476 PolarHBondContact O-N 2.92Å; D1476-E1478 VanDerWaalsContact C-N 3.29Å; D1476-E1478 PolarHBondContact O-N 2.83Å; D1476-E1478 WeakPolarHBondContact OD1-CB 3.47Å; D1476-E1478 PolarHBondContact OD1-N 3.18Å; D1476-A1480 WeakPolarHBondContact O-CA 3.33Å; D1476-A1480 PolarHBondContact O-N 2.66Å | ||
| 1477 | Y | 64.6 | Low | 83.8 | Confident | 105 Ų | 105 | 38.2 Ų | 38.2 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23.9 | 177.3 | -92.5 | -88.4 | 0 | 0 | 0 | 114.1 | I1380 L1385 F1475 | I1380-Y1477 HydrophobicContact CD1-CE2 4.03Å; I1380-Y1477 HydrophobicContact CG2-CE2 4.09Å; I1380-Y1477 WeakPolarHBondContact CG2-OH 3.35Å; L1385-Y1477 HydrophobicContact CD1-CD2 4.41Å; L1385-Y1477 HydrophobicContact CD1-CE2 3.63Å; F1475-Y1477 AromaticContact CD1-CD2 3.86Å; F1475-Y1477 HydrophobicContact CD1-CD2 3.86Å; F1475-Y1477 AromaticContact CD1-CE2 3.9Å; F1475-Y1477 HydrophobicContact CD1-CE2 3.9Å; F1475-Y1477 HydrophobicContact CD1-CG 4.33Å; F1475-Y1477 AromaticContact CE1-CD1 3.8Å; F1475-Y1477 HydrophobicContact CE1-CD1 3.8Å; F1475-Y1477 AromaticContact CE1-CD2 3.65Å; F1475-Y1477 HydrophobicContact CE1-CD2 3.65Å; F1475-Y1477 AromaticContact CE1-CE1 3.89Å; F1475-Y1477 HydrophobicContact CE1-CE1 3.89Å; F1475-Y1477 AromaticContact CE1-CE2 3.74Å; F1475-Y1477 HydrophobicContact CE1-CE2 3.74Å; F1475-Y1477 AromaticContact CE1-CG 3.69Å; F1475-Y1477 HydrophobicContact CE1-CG 3.69Å; F1475-Y1477 AromaticContact CE1-CZ 3.86Å; F1475-Y1477 HydrophobicContact CZ-CD1 4.49Å |
| 1478 | E | 63.9 | Low | 84 | Confident | 127 Ų | 127 | 39.8 Ų | 39.8 | 59% | 0.593 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -41 | -179.2 | -62.4 | -73.8 | 138.9 | 0 | 0 | 110.9 | R1389 D1476 F1551 | R1389-E1478 IonicContact NH2-OE1 3.15Å; D1476-E1478 VanDerWaalsContact C-N 3.29Å; D1476-E1478 PolarHBondContact O-N 2.83Å; D1476-E1478 WeakPolarHBondContact OD1-CB 3.47Å; D1476-E1478 PolarHBondContact OD1-N 3.18Å; E1478-F1551 WeakPolarHBondContact O-CD1 3.45Å; E1478-F1551 WeakPolarHBondContact O-CE1 3.24Å |
| 1479 | D | 69.5 | Low | 84.1 | Confident | 79 Ų | 79 | 37 Ų | 37 | 42% | 0.422 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -8.2 | -178.9 | -77.5 | -9.8 | 0 | 0 | 0 | 114.2 | T1481 | D1479-T1481 HydrophobicContact CB-CG2 4.03Å; D1479-T1481 PolarHBondContact O-N 2.86Å |
| 1480 | A | 67.4 | Low | 83.9 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 13% | 0.132 | 21% | 0.208 | C | C | . | . | trans | 54.6 | 26.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1475 D1476 M1557 F1594 | F1475-A1480 HydrophobicContact CE2-CB 4.45Å; D1476-A1480 WeakPolarHBondContact O-CA 3.33Å; D1476-A1480 PolarHBondContact O-N 2.66Å; A1480-M1557 HydrophobicContact CB-CE 4.38Å; A1480-M1557 VanDerWaalsContact O-CE 3.22Å; A1480-M1557 WeakPolarHBondContact O-CE 3.05Å; A1480-F1594 HydrophobicContact CB-CD1 4.03Å; A1480-F1594 HydrophobicContact CB-CE1 3.75Å | ||
| 1481 | T | 78 | Confident | 83.6 | Confident | 21 Ų | 21 | 43 Ų | 43 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 159.3 | 179.8 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | F1475 D1479 D1483 L1556 | F1475-T1481 WeakPolarHBondContact CA-O 3.31Å; F1475-T1481 VanDerWaalsContact CD2-O 3.25Å; F1475-T1481 WeakPolarHBondContact CD2-O 3.35Å; D1479-T1481 HydrophobicContact CB-CG2 4.03Å; D1479-T1481 PolarHBondContact O-N 2.86Å; T1481-D1483 PolarHBondContact O-N 2.67Å; T1481-D1483 VanDerWaalsContact O-N 3.11Å; T1481-L1556 HydrophobicContact CG2-CD1 3.81Å |
| 1482 | E | 83.9 | Confident | 83.4 | Confident | 66 Ų | 66 | 44.7 Ų | 44.7 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 29.7 | 175.7 | -45.3 | -143.9 | 163.3 | 0 | 0 | 115.7 | D1474 I1484 Y1615 | D1474-E1482 PolarHBondContact N-OE2 2.7Å; E1482-I1484 PolarHBondContact O-N 3.38Å; E1482-Y1615 WeakPolarHBondContact CA-OH 3.09Å; E1482-Y1615 HydrophobicContact CB-CE1 4.25Å; E1482-Y1615 HydrophobicContact CG-CE1 4.13Å; E1482-Y1615 PolarHBondContact N-OH 2.96Å |
| 1483 | D | 90 | Very high | 83.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | trans | -73.2 | 69.5 | 178.5 | -165.2 | 17.3 | 0 | 0 | 0 | 112.6 | A1375 A1376 H1377 F1475 T1481 S1593 T1610 | A1375-D1483 WeakPolarHBondContact CB-OD1 3.4Å; A1376-D1483 WeakPolarHBondContact CA-OD1 3.43Å; A1376-D1483 PolarHBondContact N-OD1 3.05Å; H1377-D1483 IonicContact CE1-OD2 3.93Å; H1377-D1483 IonicContact CG-OD1 2.71Å; H1377-D1483 IonicContact CG-OD2 3.19Å; H1377-D1483 PolarHBondContact N-OD1 3.2Å; H1377-D1483 IonicContact ND1-OD1 2.74Å; H1377-D1483 PolarHBondContact ND1-OD1 3.43Å; H1377-D1483 IonicContact ND1-OD2 2.8Å; H1377-D1483 PolarHBondContact ND1-OD2 2.74Å; F1475-D1483 HydrophobicContact CD2-CB 3.57Å; F1475-D1483 HydrophobicContact CE2-CB 3.62Å; T1481-D1483 PolarHBondContact O-N 2.67Å; T1481-D1483 VanDerWaalsContact O-N 3.11Å; D1483-S1593 WeakPolarHBondContact OD2-CA 3.15Å; D1483-S1593 WeakPolarHBondContact OD2-CB 3.31Å; D1483-S1593 PolarHBondContact OD2-OG 3.03Å; D1483-T1610 WeakPolarHBondContact O-CB 3.32Å; D1483-T1610 PolarHBondContact O-OG1 2.89Å | ||
| 1484 | I | 94.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -145.3 | 139.3 | -177.2 | -165.4 | 171 | 0 | 0 | 0 | 109.9 | L1373 T1374 G1473 E1482 T1610 Y1615 W1618 L1619 | L1373-I1484 HydrophobicContact CD1-CD1 4Å; L1373-I1484 HydrophobicContact CD1-CG1 3.66Å; T1374-I1484 CarbonylContact O-C 3.59Å; G1473-I1484 PolarHBondContact N-O 2.79Å; E1482-I1484 PolarHBondContact O-N 3.38Å; I1484-T1610 HydrophobicContact CB-CG2 4.02Å; I1484-Y1615 HydrophobicContact CD1-CD2 4.38Å; I1484-Y1615 HydrophobicContact CD1-CG 4.03Å; I1484-Y1615 HydrophobicContact CG2-CD1 3.92Å; I1484-Y1615 HydrophobicContact CG2-CE1 4.2Å; I1484-Y1615 HydrophobicContact CG2-CG 4.26Å; I1484-W1618 HydrophobicContact CB-CZ3 4.44Å; I1484-W1618 HydrophobicContact CD1-CE3 4.23Å; I1484-W1618 HydrophobicContact CD1-CZ3 4.17Å; I1484-W1618 HydrophobicContact CG1-CE3 4.43Å; I1484-W1618 HydrophobicContact CG1-CZ3 3.94Å; I1484-W1618 HydrophobicContact CG2-CD2 4.34Å; I1484-W1618 HydrophobicContact CG2-CE3 3.95Å; I1484-W1618 HydrophobicContact CG2-CH2 4.2Å; I1484-W1618 HydrophobicContact CG2-CZ3 3.87Å; I1484-L1619 HydrophobicContact CD1-CD2 4.18Å; I1484-L1619 HydrophobicContact CD1-CG 4.42Å | ||
| 1485 | A | 94.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 150 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1373 T1374 L1379 V1471 A1472 | L1373-A1485 WeakPolarHBondContact CD1-O 3.37Å; T1374-A1485 HydrophobicContact CG2-CB 4.1Å; T1374-A1485 PolarHBondContact N-O 3.11Å; T1374-A1485 PolarHBondContact O-N 3.35Å; L1379-A1485 HydrophobicContact CD1-CB 3.78Å; V1471-A1485 CarbonylContact O-C 3.57Å; V1471-A1485 VanDerWaalsContact O-CA 3.24Å; V1471-A1485 WeakPolarHBondContact O-CA 3.1Å; V1471-A1485 WeakPolarHBondContact O-CB 3.15Å; A1472-A1485 HydrophobicContact CB-CB 4Å |
| 1486 | L | 95.5 | Very high | 84.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.7 | 171.1 | -81.3 | 168.4 | 0 | 0 | 0 | 109.9 | I1361 L1371 I1372 L1373 V1470 V1471 W1618 L1619 A1622 L1626 | I1361-L1486 HydrophobicContact CD1-CD2 3.76Å; L1371-L1486 HydrophobicContact CB-CD2 4.38Å; I1372-L1486 WeakPolarHBondContact O-CA 3Å; L1373-L1486 HydrophobicContact CB-CD2 4.41Å; L1373-L1486 HydrophobicContact CD1-CD2 4.25Å; L1373-L1486 HydrophobicContact CD1-CG 4.46Å; V1470-L1486 WeakPolarHBondContact CA-O 3.45Å; V1471-L1486 PolarHBondContact N-O 3.45Å; V1471-L1486 PolarHBondContact O-N 3.3Å; L1486-W1618 HydrophobicContact CD1-CZ3 4.27Å; L1486-W1618 HydrophobicContact CG-CZ3 4.3Å; L1486-L1619 HydrophobicContact CD1-CD2 3.65Å; L1486-L1619 HydrophobicContact CD2-CD2 4.12Å; L1486-L1619 HydrophobicContact CG-CD2 3.83Å; L1486-A1622 HydrophobicContact CD1-CB 3.78Å; L1486-L1626 HydrophobicContact CB-CD1 3.58Å |
| 1487 | I | 96.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.6 | 169.6 | -53.7 | 167.9 | 0 | 0 | 0 | 107.1 | I1345 I1372 T1374 L1379 V1446 V1448 A1467 V1470 | I1345-I1487 HydrophobicContact CD1-CD1 3.67Å; I1345-I1487 HydrophobicContact CG1-CD1 4.26Å; I1345-I1487 HydrophobicContact CG2-CD1 4.22Å; I1372-I1487 HydrophobicContact CB-CB 4.2Å; I1372-I1487 PolarHBondContact N-O 3.09Å; I1372-I1487 PolarHBondContact O-N 3.33Å; T1374-I1487 HydrophobicContact CG2-CD1 3.99Å; T1374-I1487 HydrophobicContact CG2-CG1 4.25Å; L1379-I1487 HydrophobicContact CD1-CD1 4.22Å; L1379-I1487 HydrophobicContact CD1-CG1 3.72Å; L1379-I1487 HydrophobicContact CD2-CD1 4.13Å; L1379-I1487 HydrophobicContact CD2-CG1 4.47Å; V1446-I1487 HydrophobicContact CG1-CD1 4.12Å; V1448-I1487 HydrophobicContact CG2-CD1 4.41Å; V1448-I1487 HydrophobicContact CG2-CG2 4.4Å; A1467-I1487 HydrophobicContact CB-CG2 3.41Å; A1467-I1487 VanDerWaalsContact CB-CG2 3.41Å; V1470-I1487 HydrophobicContact CG1-CB 4.43Å; V1470-I1487 HydrophobicContact CG1-CG1 4.09Å; V1470-I1487 HydrophobicContact CG1-CG2 4.15Å |
| 1488 | K | 96 | Very high | 85.6 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.9 | 166.3 | 178.6 | 164.6 | 176.9 | 168.4 | 0 | 109.9 | D1370 L1371 A1467 A1468 A1469 L1626 | D1370-K1488 WeakPolarHBondContact OD2-CE 3.42Å; D1370-K1488 WeakPolarHBondContact OD2-CG 3.43Å; D1370-K1488 IonicContact OD2-NZ 2.73Å; L1371-K1488 HydrophobicContact CD2-CB 4.43Å; A1467-K1488 CarbonylContact C-O 3.52Å; A1467-K1488 WeakPolarHBondContact CA-O 3.18Å; A1468-K1488 PolarHBondContact N-O 2.81Å; A1469-K1488 PolarHBondContact O-N 3.11Å; K1488-L1626 HydrophobicContact CB-CB 4.19Å; K1488-L1626 HydrophobicContact CB-CD1 4.35Å; K1488-L1626 HydrophobicContact CB-CD2 4.07Å; K1488-L1626 HydrophobicContact CB-CG 4.45Å; K1488-L1626 HydrophobicContact CD-CB 4.13Å; K1488-L1626 WeakPolarHBondContact CD-O 3.42Å; K1488-L1626 WeakPolarHBondContact CE-O 3.49Å; K1488-L1626 PolarHBondContact NZ-O 2.89Å |
| 1489 | L | 95 | Very high | 86.9 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 147.9 | 175.2 | -60.4 | 173.6 | 0 | 0 | 0 | 110.4 | L1360 D1370 I1372 V1448 L1450 L1465 K1491 V1493 | L1360-L1489 HydrophobicContact CD1-CD1 4.45Å; D1370-L1489 HydrophobicContact CB-CB 4.44Å; D1370-L1489 WeakPolarHBondContact O-CB 3.26Å; D1370-L1489 VanDerWaalsContact O-CG 3.32Å; D1370-L1489 WeakPolarHBondContact O-CG 3.25Å; D1370-L1489 PolarHBondContact O-N 3.19Å; I1372-L1489 HydrophobicContact CD1-CD1 4.06Å; I1372-L1489 HydrophobicContact CG1-CD1 4.09Å; I1372-L1489 HydrophobicContact CG1-CD2 3.93Å; I1372-L1489 HydrophobicContact CG1-CG 4.04Å; V1448-L1489 HydrophobicContact CB-CD2 3.69Å; V1448-L1489 HydrophobicContact CG1-CD2 4.13Å; V1448-L1489 HydrophobicContact CG2-CD2 3.7Å; L1450-L1489 HydrophobicContact CD1-CD1 4.11Å; L1465-L1489 HydrophobicContact CB-CD2 4.07Å; L1465-L1489 HydrophobicContact CD1-CD1 3.86Å; L1489-K1491 PolarHBondContact O-N 2.95Å; L1489-V1493 HydrophobicContact CD1-CG2 3.8Å |
| 1490 | G | 87.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 53% | 0.526 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -3.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1466 | P1466-G1490 PolarHBondContact O-N 2.81Å |
| 1491 | K | 87.4 | Confident | 89.2 | Confident | 135 Ų | 135 | 33.6 Ų | 33.6 | 59% | 0.587 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 152.1 | 168.1 | 59.9 | -178.5 | 175.7 | -172.7 | 0 | 110.8 | L1465 L1489 | L1465-K1491 HydrophobicContact CD2-CD 4.29Å; L1465-K1491 HydrophobicContact CD2-CG 3.95Å; L1489-K1491 PolarHBondContact O-N 2.95Å |
| 1492 | E | 87.9 | Confident | 90 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 33% | 0.327 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 144.4 | 176.5 | -154.1 | 170.1 | 157.3 | 0 | 0 | 111.8 | K1364 S1368 D1370 | K1364-E1492 IonicContact NZ-OE1 2.66Å; K1364-E1492 IonicContact NZ-OE2 3.09Å; K1364-E1492 PolarHBondContact NZ-OE2 3.08Å; S1368-E1492 WeakPolarHBondContact CB-OE1 3.31Å; S1368-E1492 PolarHBondContact OG-OE1 2.93Å; D1370-E1492 HydrophobicContact CB-CB 4.32Å; D1370-E1492 HydrophobicContact CB-CG 4.13Å |
| 1493 | V | 86.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 106.6 | -173.7 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | S1368 S1369 L1450 L1465 L1489 I1499 | S1368-V1493 VanDerWaalsContact CA-O 3.27Å; S1368-V1493 WeakPolarHBondContact CA-O 3.48Å; S1369-V1493 PolarHBondContact N-O 3.1Å; S1369-V1493 VanDerWaalsContact N-O 3.11Å; S1369-V1493 WeakPolarHBondContact O-CB 3.35Å; S1369-V1493 PolarHBondContact O-N 3.44Å; L1450-V1493 HydrophobicContact CD1-CB 4.45Å; L1450-V1493 HydrophobicContact CD1-CG1 4.25Å; L1450-V1493 HydrophobicContact CD1-CG2 4.07Å; L1465-V1493 HydrophobicContact CD1-CG2 3.29Å; L1489-V1493 HydrophobicContact CD1-CG2 3.8Å; V1493-I1499 HydrophobicContact CG1-CD1 4.45Å; V1493-I1499 HydrophobicContact CG1-CG2 3.91Å |
| 1494 | A | 86.8 | Confident | 90.7 | Very high | 66 Ų | 66 | 31.7 Ų | 31.7 | 55% | 0.545 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 140.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1495 | Y | 87 | Confident | 90.6 | Very high | 36 Ų | 36 | 32 Ų | 32 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | trans | -72.8 | 146.2 | 179.9 | -66.2 | -1.9 | 0 | 0 | 0 | 111.1 | L1360 H1362 N1367 S1368 I1499 G1501 | L1360-Y1495 HydrophobicContact CD2-CD1 4.43Å; L1360-Y1495 HydrophobicContact CD2-CE1 4.02Å; H1362-Y1495 WeakPolarHBondContact CA-OH 3.09Å; H1362-Y1495 WeakPolarHBondContact CB-OH 3.42Å; H1362-Y1495 AromaticContact ND1-CE2 3.46Å; H1362-Y1495 WeakPolarHBondContact ND1-CE2 3.31Å; H1362-Y1495 AromaticContact ND1-CZ 3.6Å; H1362-Y1495 PolarHBondContact ND1-OH 2.61Å; N1367-Y1495 WeakPolarHBondContact O-CB 3.4Å; N1367-Y1495 PolarHBondContact O-N 2.82Å; S1368-Y1495 PolarHBondContact O-OH 2.87Å; S1368-Y1495 VanDerWaalsContact O-OH 3.11Å; Y1495-I1499 CarbonylContact C-O 3.58Å; Y1495-I1499 VanDerWaalsContact CA-O 3.27Å; Y1495-I1499 WeakPolarHBondContact CA-O 3.47Å; Y1495-G1501 VanDerWaalsContact CZ-N 3.26Å | ||
| 1496 | T | 83.7 | Confident | 90.2 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | trans | -138.8 | -175.2 | -178.4 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | V1498 I1499 Q1500 | T1496-V1498 PolarHBondContact O-N 2.89Å; T1496-V1498 PolarHBondContact OG1-N 2.03Å; T1496-I1499 PolarHBondContact N-O 2.83Å; T1496-I1499 PolarHBondContact OG1-N 2.87Å; T1496-Q1500 WeakPolarHBondContact O-CG 3.29Å; T1496-Q1500 PolarHBondContact O-NE2 2.85Å; T1496-Q1500 VanDerWaalsContact O-NE2 3.09Å | ||
| 1497 | L | 79.8 | Confident | 89.3 | Confident | 96 Ų | 96 | 39.9 Ų | 39.9 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -65.4 | -14.4 | 173 | -59.7 | 178.2 | 0 | 0 | 0 | 113.7 | F1313 | F1313-L1497 HydrophobicContact CB-CD2 4.19Å; F1313-L1497 HydrophobicContact CD1-CD2 4.42Å; F1313-L1497 HydrophobicContact CD2-CD2 3.82Å; F1313-L1497 HydrophobicContact CE2-CD2 4.28Å; F1313-L1497 HydrophobicContact CG-CD2 3.89Å |
| 1498 | V | 86.6 | Confident | 88.4 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -129.8 | -5 | -173.1 | -49.6 | 0 | 0 | 0 | 0 | 115 | F1314 H1337 P1340 A1461 T1496 | F1314-V1498 HydrophobicContact CE2-CG1 4.13Å; H1337-V1498 HydrophobicContact CB-CB 3.79Å; H1337-V1498 HydrophobicContact CB-CG1 3.6Å; P1340-V1498 WeakPolarHBondContact CA-O 3.43Å; P1340-V1498 WeakPolarHBondContact CB-O 3.17Å; A1461-V1498 HydrophobicContact CB-CG2 3.6Å; T1496-V1498 PolarHBondContact O-N 2.89Å; T1496-V1498 PolarHBondContact OG1-N 2.03Å |
| 1499 | I | 91.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -132.2 | 117.2 | 172.4 | -62.1 | 172.6 | 0 | 0 | 0 | 107.3 | P1340 L1360 L1450 R1463 V1493 Y1495 T1496 | P1340-I1499 WeakPolarHBondContact O-CA 3.44Å; L1360-I1499 HydrophobicContact CD2-CG2 3.68Å; L1450-I1499 HydrophobicContact CB-CD1 3.89Å; L1450-I1499 HydrophobicContact CB-CG1 4.12Å; L1450-I1499 HydrophobicContact CB-CG2 4.31Å; L1450-I1499 HydrophobicContact CD1-CG2 4.23Å; R1463-I1499 HydrophobicContact CB-CD1 4.05Å; R1463-I1499 HydrophobicContact CG-CD1 3.52Å; V1493-I1499 HydrophobicContact CG1-CD1 4.45Å; V1493-I1499 HydrophobicContact CG1-CG2 3.91Å; Y1495-I1499 CarbonylContact C-O 3.58Å; Y1495-I1499 VanDerWaalsContact CA-O 3.27Å; Y1495-I1499 WeakPolarHBondContact CA-O 3.47Å; T1496-I1499 PolarHBondContact N-O 2.83Å; T1496-I1499 PolarHBondContact OG1-N 2.87Å | ||
| 1500 | Q | 91.7 | Very high | 87.2 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | trans | -152.1 | 149.2 | -178.1 | -59.4 | -179.3 | -19.2 | 0 | 0 | 109.4 | K1311 P1340 W1341 T1496 | K1311-Q1500 PolarHBondContact O-OE1 3.25Å; P1340-Q1500 CarbonylContact C-O 3.59Å; P1340-Q1500 HydrophobicContact CB-CB 3.97Å; P1340-Q1500 HydrophobicContact CB-CG 4.01Å; P1340-Q1500 HydrophobicContact CG-CB 3.86Å; P1340-Q1500 HydrophobicContact CG-CG 4.06Å; P1340-Q1500 PolarHBondContact O-N 3.3Å; P1340-Q1500 VanDerWaalsContact O-N 3.14Å; W1341-Q1500 WeakPolarHBondContact CA-O 3.44Å; W1341-Q1500 VanDerWaalsContact CB-O 3.3Å; W1341-Q1500 WeakPolarHBondContact CB-O 3.26Å; W1341-Q1500 PolarHBondContact N-O 2.78Å; T1496-Q1500 WeakPolarHBondContact O-CG 3.29Å; T1496-Q1500 PolarHBondContact O-NE2 2.85Å; T1496-Q1500 VanDerWaalsContact O-NE2 3.09Å | ||
| 1501 | G | 93.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 141.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1309 G1310 L1360 Y1495 | C1309-G1501 WeakPolarHBondContact CA-O 3.45Å; C1309-G1501 WeakPolarHBondContact CB-O 3.06Å; G1310-G1501 PolarHBondContact N-O 3.14Å; L1360-G1501 WeakPolarHBondContact O-CA 3.37Å; Y1495-G1501 VanDerWaalsContact CZ-N 3.26Å |
| 1502 | V | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 145.6 | 163.5 | 67.8 | 0 | 0 | 0 | 0 | 109.7 | W1341 L1360 I1361 H1362 V1579 F1586 I1588 | W1341-V1502 HydrophobicContact CB-CB 3.89Å; W1341-V1502 HydrophobicContact CB-CG1 4.31Å; W1341-V1502 HydrophobicContact CD2-CB 3.9Å; W1341-V1502 HydrophobicContact CD2-CG2 4.28Å; W1341-V1502 HydrophobicContact CE3-CB 4.16Å; W1341-V1502 HydrophobicContact CG-CB 3.77Å; W1341-V1502 HydrophobicContact CG-CG1 4.45Å; W1341-V1502 HydrophobicContact CG-CG2 4.49Å; L1360-V1502 PolarHBondContact O-N 2.77Å; I1361-V1502 HydrophobicContact CG2-CG1 4.16Å; H1362-V1502 PolarHBondContact N-O 2.8Å; V1502-V1579 HydrophobicContact CG2-CG1 3.83Å; V1502-F1586 WeakPolarHBondContact CG2-O 3.37Å; V1502-I1588 HydrophobicContact CG1-CB 3.8Å; V1502-I1588 HydrophobicContact CG1-CD1 4.21Å; V1502-I1588 HydrophobicContact CG1-CG2 3.75Å; V1502-I1588 HydrophobicContact CG2-CB 4.01Å |
| 1503 | C | 94.4 | Very high | 87 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 138.5 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | C1309 T1585 F1586 V1587 I1588 | C1309-C1503 HydrophobicContact CB-CB 4.03Å; C1309-C1503 WeakPolarHBondContact CB-SG 3.37Å; C1309-C1503 PolarHBondContact O-SG 3Å; C1309-C1503 WeakPolarHBondContact SG-CA 3.18Å; C1309-C1503 WeakPolarHBondContact SG-CB 3.42Å; C1309-C1503 CovalentContact SG-SG 2.03Å; C1309-C1503 PolarHBondContact SG-SG 3.5Å; C1503-T1585 WeakPolarHBondContact SG-CG2 3.35Å; C1503-F1586 PolarHBondContact N-O 2.95Å; C1503-V1587 HydrophobicContact CB-CG2 4.17Å; C1503-V1587 WeakPolarHBondContact O-CA 3.42Å; C1503-I1588 PolarHBondContact O-N 2.91Å |
| 1504 | L | 93.8 | Very high | 86.6 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 148.9 | 163.6 | -66.5 | 174.1 | 0 | 0 | 0 | 110.3 | I1361 Y1363 I1588 V1612 L1616 L1619 | I1361-L1504 HydrophobicContact CB-CD2 4.33Å; I1361-L1504 HydrophobicContact CD1-CD1 4.43Å; I1361-L1504 HydrophobicContact CD1-CD2 4.48Å; I1361-L1504 HydrophobicContact CG2-CD2 4.09Å; Y1363-L1504 HydrophobicContact CD2-CD1 4Å; L1504-I1588 HydrophobicContact CD2-CG2 3.95Å; L1504-V1612 HydrophobicContact CD2-CG1 4.24Å; L1504-L1616 HydrophobicContact CB-CD2 4.32Å; L1504-L1619 HydrophobicContact CD2-CD1 4.26Å |
| 1505 | P | 92.6 | Very high | 86.1 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 159 | 173.5 | 30.7 | -33.1 | 0 | 0 | 0 | 110.8 | V1587 I1588 Y1589 V1612 T1613 L1616 | P1505-V1587 HydrophobicContact CB-CG1 3.74Å; P1505-V1587 HydrophobicContact CG-CG1 4.4Å; P1505-I1588 VanDerWaalsContact CD-O 3.26Å; P1505-I1588 WeakPolarHBondContact CD-O 3.33Å; P1505-Y1589 HydrophobicContact CB-CD1 4.4Å; P1505-Y1589 HydrophobicContact CB-CE1 3.97Å; P1505-V1612 HydrophobicContact CG-CG1 4.06Å; P1505-T1613 HydrophobicContact CB-CG2 3.65Å; P1505-T1613 HydrophobicContact CG-CG2 3.5Å; P1505-T1613 VanDerWaalsContact CG-CG2 3.5Å; P1505-L1616 HydrophobicContact CG-CD1 4.41Å; P1505-L1616 HydrophobicContact CG-CD2 4.38Å; P1505-L1616 VanDerWaalsContact O-CD1 3.3Å; P1505-L1616 WeakPolarHBondContact O-CD1 3.47Å |
| 1506 | A | 85.9 | Confident | 86 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 156.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1508 E1509 L1616 | A1506-K1508 PolarHBondContact O-N 3.22Å; A1506-E1509 HydrophobicContact CB-CB 4.17Å; A1506-E1509 WeakPolarHBondContact CB-OE2 3.41Å; A1506-E1509 PolarHBondContact N-OE2 3.04Å; A1506-E1509 WeakPolarHBondContact O-CB 3.36Å; A1506-E1509 PolarHBondContact O-N 3.41Å; A1506-L1616 WeakPolarHBondContact O-CD1 3.37Å |
| 1507 | E | 77.8 | Confident | 86.1 | Confident | 109 Ų | 109 | 51 Ų | 51 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 128 | -178.4 | -155.8 | 169.3 | 139.9 | 0 | 0 | 110.8 | E1509 L1616 K1620 | E1507-E1509 PolarHBondContact O-N 2.78Å; E1507-L1616 HydrophobicContact CB-CD1 4.32Å; E1507-L1616 HydrophobicContact CG-CD1 4.48Å; E1507-K1620 IonicContact OE2-NZ 2.89Å; E1507-K1620 PolarHBondContact OE2-NZ 3.46Å |
| 1508 | K | 75.8 | Confident | 86.6 | Confident | 190 Ų | 190 | 46.5 Ų | 46.5 | 83% | 0.826 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 16.9 | -170.8 | -49.2 | 171 | -174.9 | 170.9 | 0 | 114.7 | A1506 A1510 | A1506-K1508 PolarHBondContact O-N 3.22Å; K1508-A1510 PolarHBondContact O-N 2.79Å |
| 1509 | E | 83 | Confident | 86.9 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60 | 133.2 | 172.7 | -173.1 | 168.6 | 175.1 | 0 | 0 | 111.3 | A1506 E1507 R1582 Y1589 T1613 | A1506-E1509 HydrophobicContact CB-CB 4.17Å; A1506-E1509 WeakPolarHBondContact CB-OE2 3.41Å; A1506-E1509 PolarHBondContact N-OE2 3.04Å; A1506-E1509 WeakPolarHBondContact O-CB 3.36Å; A1506-E1509 PolarHBondContact O-N 3.41Å; E1507-E1509 PolarHBondContact O-N 2.78Å; E1509-R1582 VanDerWaalsContact CD-NH1 3.32Å; E1509-R1582 VanDerWaalsContact OE1-CD 3.24Å; E1509-R1582 WeakPolarHBondContact OE1-CD 3.43Å; E1509-R1582 IonicContact OE1-CZ 3.65Å; E1509-R1582 IonicContact OE1-NE 2.85Å; E1509-R1582 PolarHBondContact OE1-NE 2.84Å; E1509-R1582 IonicContact OE1-NH1 2.96Å; E1509-R1582 PolarHBondContact OE1-NH1 3.21Å; E1509-R1582 IonicContact OE1-NH2 2.88Å; E1509-R1582 IonicContact OE2-NH1 2.64Å; E1509-R1582 PolarHBondContact OE2-NH1 2.8Å; E1509-Y1589 PolarHBondContact OE1-OH 2.84Å; E1509-T1613 HydrophobicContact CB-CG2 4.45Å |
| 1510 | A | 83.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 66% | 0.661 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 148.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K1508 | K1508-A1510 PolarHBondContact O-N 2.79Š|
| 1511 | L | 85.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.277 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 147.7 | 174 | -67.1 | 179.3 | 0 | 0 | 0 | 110.5 | I1558 Y1589 | L1511-I1558 HydrophobicContact CD1-CD1 4.45Å; L1511-I1558 HydrophobicContact CD1-CG1 4.02Å; L1511-I1558 HydrophobicContact CD1-CG2 4.46Å; L1511-I1558 HydrophobicContact CD2-CD1 3.59Å; L1511-I1558 HydrophobicContact CD2-CG1 4.02Å; L1511-Y1589 HydrophobicContact CD2-CD1 3.85Å |
| 1512 | P | 86.4 | Confident | 86.7 | Confident | 15 Ų | 15 | 44.7 Ų | 44.7 | 10% | 0.097 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 141.7 | 173.9 | -23.8 | 34.1 | 0 | 0 | 0 | 110.9 | S1516 I1542 C1580 Y1589 | P1512-S1516 WeakPolarHBondContact CB-OG 2.96Å; P1512-I1542 HydrophobicContact CB-CD1 4.29Å; P1512-I1542 HydrophobicContact CG-CD1 4.26Å; P1512-C1580 HydrophobicContact CB-CB 4.49Å; P1512-C1580 HydrophobicContact CG-CB 3.9Å; P1512-Y1589 HydrophobicContact CG-CD1 4.38Å; P1512-Y1589 HydrophobicContact CG-CD2 3.81Å; P1512-Y1589 HydrophobicContact CG-CE1 4.04Å; P1512-Y1589 HydrophobicContact CG-CE2 3.41Å; P1512-Y1589 VanDerWaalsContact CG-CE2 3.41Å; P1512-Y1589 HydrophobicContact CG-CG 4.25Å |
| 1513 | P | 84.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 45 Ų | 45 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -60 | 150.6 | 177.5 | 24.7 | -33.7 | 0 | 0 | 0 | 110.7 | E1515 S1516 | P1513-E1515 PolarHBondContact O-N 2.82Å; P1513-S1516 VanDerWaalsContact CD-OG 3.25Å; P1513-S1516 WeakPolarHBondContact CD-OG 3.37Å; P1513-S1516 WeakPolarHBondContact CG-OG 3.18Å; P1513-S1516 WeakPolarHBondContact O-CB 3.41Å; P1513-S1516 PolarHBondContact O-N 3.31Å; P1513-S1516 PolarHBondContact O-OG 3.06Å |
| 1514 | P | 78.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 34% | 0.338 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -28.4 | -172.4 | -33.1 | 37.6 | 0 | 0 | 0 | 117.1 | S1516 H1541 I1542 D1544 | P1514-S1516 VanDerWaalsContact C-N 3.27Å; P1514-S1516 PolarHBondContact O-N 2.74Å; P1514-H1541 PolarHBondContact O-ND1 3.47Å; P1514-I1542 WeakPolarHBondContact CB-O 3.46Å; P1514-D1544 HydrophobicContact CG-CB 4.09Å |
| 1515 | E | 77.5 | Confident | 84.8 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 67% | 0.673 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.8 | 177 | -64.4 | -61.2 | 158.1 | 0 | 0 | 113.8 | P1513 | P1513-E1515 PolarHBondContact O-N 2.82Š|
| 1516 | S | 83.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -66.6 | 134.5 | 177.9 | -63 | 0 | 0 | 0 | 0 | 111.1 | P1512 P1513 P1514 C1518 | P1512-S1516 WeakPolarHBondContact CB-OG 2.96Å; P1513-S1516 VanDerWaalsContact CD-OG 3.25Å; P1513-S1516 WeakPolarHBondContact CD-OG 3.37Å; P1513-S1516 WeakPolarHBondContact CG-OG 3.18Å; P1513-S1516 WeakPolarHBondContact O-CB 3.41Å; P1513-S1516 PolarHBondContact O-N 3.31Å; P1513-S1516 PolarHBondContact O-OG 3.06Å; P1514-S1516 VanDerWaalsContact C-N 3.27Å; P1514-S1516 PolarHBondContact O-N 2.74Å; S1516-C1518 PolarHBondContact O-N 2.6Å |
| 1517 | P | 86.2 | Confident | 82.9 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | trans | -76.9 | 103 | -177.6 | 30.5 | -33.3 | 0 | 0 | 0 | 110.6 | L1318 L1581 | L1318-P1517 HydrophobicContact CD2-CB 4.28Å; P1517-L1581 HydrophobicContact CG-CB 4.11Å; P1517-L1581 PolarHBondContact O-N 3.31Å | ||
| 1518 | C | 91 | Very high | 82.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.5 | 172.6 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | S1516 Q1539 T1540 L1578 V1579 C1580 | S1516-C1518 PolarHBondContact O-N 2.6Å; C1518-Q1539 CarbonylContact O-C 3.54Å; C1518-Q1539 VanDerWaalsContact O-CA 3.31Å; C1518-Q1539 WeakPolarHBondContact O-CA 3.46Å; C1518-Q1539 WeakPolarHBondContact O-CG 3.2Å; C1518-T1540 HydrophobicContact CB-CG2 4.23Å; C1518-T1540 PolarHBondContact O-N 3.11Å; C1518-L1578 HydrophobicContact CB-CD1 3.79Å; C1518-L1578 HydrophobicContact CB-CG 4.5Å; C1518-V1579 CarbonylContact C-O 3.51Å; C1518-V1579 VanDerWaalsContact CA-O 3.23Å; C1518-V1579 WeakPolarHBondContact CA-O 3.49Å; C1518-C1580 HydrophobicContact CB-CB 4.09Å; C1518-C1580 WeakPolarHBondContact CB-SG 3.39Å; C1518-C1580 WeakPolarHBondContact SG-CB 3.32Å; C1518-C1580 CovalentContact SG-SG 2.04Å; C1518-C1580 PolarHBondContact SG-SG 2.99Å |
| 1519 | L | 92.6 | Very high | 81.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.2 | -179.5 | -62.1 | -179.9 | 0 | 0 | 0 | 110.8 | P1316 L1318 F1538 Q1539 V1579 F1586 | P1316-L1519 HydrophobicContact CB-CD1 3.5Å; P1316-L1519 VanDerWaalsContact CB-CD1 3.5Å; P1316-L1519 HydrophobicContact CG-CD1 4.2Å; L1318-L1519 HydrophobicContact CD2-CD1 3.77Å; L1318-L1519 HydrophobicContact CD2-CD2 4.13Å; L1318-L1519 HydrophobicContact CD2-CG 4.03Å; L1519-F1538 WeakPolarHBondContact CA-O 3.28Å; L1519-Q1539 HydrophobicContact CD2-CB 3.93Å; L1519-Q1539 HydrophobicContact CD2-CG 4.34Å; L1519-V1579 HydrophobicContact CB-CG2 3.98Å; L1519-V1579 PolarHBondContact N-O 2.83Å; L1519-V1579 PolarHBondContact O-N 3.46Å; L1519-F1586 HydrophobicContact CD1-CE1 3.97Å; L1519-F1586 HydrophobicContact CD1-CZ 4.25Å; L1519-F1586 HydrophobicContact CG-CE1 4.49Å |
| 1520 | V | 90.6 | Very high | 81.5 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.2 | 173 | 180 | 0 | 0 | 0 | 0 | 108.4 | Q1537 F1538 T1540 A1569 L1578 F1609 | V1520-Q1537 WeakPolarHBondContact O-CA 3.49Å; V1520-F1538 HydrophobicContact CB-CD1 4.08Å; V1520-F1538 HydrophobicContact CB-CE1 3.54Å; V1520-F1538 HydrophobicContact CB-CZ 3.83Å; V1520-F1538 HydrophobicContact CG1-CE1 3.7Å; V1520-F1538 HydrophobicContact CG1-CZ 4.14Å; V1520-F1538 HydrophobicContact CG2-CE1 4.31Å; V1520-F1538 HydrophobicContact CG2-CZ 4.08Å; V1520-F1538 PolarHBondContact N-O 2.75Å; V1520-F1538 PolarHBondContact O-N 3.1Å; V1520-T1540 HydrophobicContact CG2-CG2 3.79Å; V1520-A1569 HydrophobicContact CG1-CB 4.39Å; V1520-L1578 HydrophobicContact CG2-CD1 3.68Å; V1520-F1609 HydrophobicContact CG1-CE1 4.33Å; V1520-F1609 HydrophobicContact CG1-CZ 4.27Å; V1520-F1609 HydrophobicContact CG2-CE1 4.03Å; V1520-F1609 HydrophobicContact CG2-CZ 3.64Å |
| 1521 | T | 91.7 | Very high | 81.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.1 | -170.6 | 39.7 | 0 | 0 | 0 | 0 | 113.8 | H1339 Q1342 Q1536 Q1537 | H1339-T1521 HydrophobicContact CB-CG2 4.48Å; Q1342-T1521 PolarHBondContact OE1-O 2.82Å; Q1342-T1521 PolarHBondContact OE1-OG1 3.36Å; T1521-Q1536 VanDerWaalsContact CA-O 3.26Å; T1521-Q1536 WeakPolarHBondContact CA-O 3.48Å; T1521-Q1537 HydrophobicContact CG2-CB 3.6Å |
| 1522 | G | 89.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -176.7 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | Q1536 D1573 | G1522-Q1536 PolarHBondContact N-O 2.9Å; G1522-Q1536 VanDerWaalsContact N-O 3.13Å; G1522-Q1536 PolarHBondContact O-N 3.01Å; G1522-D1573 VanDerWaalsContact C-OD1 3.31Å; G1522-D1573 VanDerWaalsContact CA-OD1 3.3Å; G1522-D1573 WeakPolarHBondContact CA-OD1 3.49Å |
| 1523 | W | 88.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | trans | -118.9 | 14.3 | -178.1 | -69.3 | -88.6 | 0 | 0 | 0 | 113 | Q1342 F1344 V1452 H1453 Y1455 G1532 T1533 L1535 D1573 | Q1342-W1523 HydrophobicContact CB-CH2 4.46Å; Q1342-W1523 HydrophobicContact CG-CE3 4.49Å; Q1342-W1523 HydrophobicContact CG-CH2 3.4Å; Q1342-W1523 VanDerWaalsContact CG-CH2 3.4Å; Q1342-W1523 HydrophobicContact CG-CZ2 4.45Å; Q1342-W1523 HydrophobicContact CG-CZ3 3.42Å; Q1342-W1523 VanDerWaalsContact CG-CZ3 3.42Å; F1344-W1523 HydrophobicContact CB-CE3 4.07Å; F1344-W1523 HydrophobicContact CB-CH2 3.95Å; F1344-W1523 HydrophobicContact CB-CZ3 3.65Å; F1344-W1523 HydrophobicContact CD2-CB 4.36Å; F1344-W1523 AromaticContact CD2-CD2 3.91Å; F1344-W1523 HydrophobicContact CD2-CD2 3.91Å; F1344-W1523 AromaticContact CD2-CE3 3.65Å; F1344-W1523 HydrophobicContact CD2-CE3 3.65Å; F1344-W1523 HydrophobicContact CD2-CG 4.25Å; F1344-W1523 HydrophobicContact CD2-CZ3 4.14Å; F1344-W1523 HydrophobicContact CE2-CB 4.3Å; F1344-W1523 HydrophobicContact CG-CE3 4.35Å; F1344-W1523 HydrophobicContact CG-CZ3 4.41Å; V1452-W1523 HydrophobicContact CG1-CH2 3.86Å; V1452-W1523 HydrophobicContact CG1-CZ2 3.78Å; V1452-W1523 WeakPolarHBondContact O-CZ2 3.32Å; H1453-W1523 PolarHBondContact O-NE1 2.83Å; Y1455-W1523 HydrophobicContact CD1-CB 4.23Å; Y1455-W1523 AromaticContact CD1-CD1 3.65Å; Y1455-W1523 AromaticContact CD1-CG 3.98Å; Y1455-W1523 HydrophobicContact CD1-CG 3.98Å; Y1455-W1523 HydrophobicContact CE1-CB 4.15Å; Y1455-W1523 HydrophobicContact CE1-CG 4.35Å; W1523-G1532 WeakPolarHBondContact CB-O 3.42Å; W1523-G1532 PolarHBondContact O-N 2.93Å; W1523-T1533 VanDerWaalsContact CD1-O 3.24Å; W1523-T1533 PolarHBondContact NE1-O 3.28Å; W1523-L1535 HydrophobicContact CD2-CD1 3.97Å; W1523-L1535 HydrophobicContact CE3-CD1 4.02Å; W1523-L1535 HydrophobicContact CH2-CD1 3.94Å; W1523-L1535 HydrophobicContact CZ2-CB 3.87Å; W1523-L1535 HydrophobicContact CZ2-CD1 3.83Å; W1523-L1535 HydrophobicContact CZ2-CD2 4.38Å; W1523-L1535 HydrophobicContact CZ2-CG 4.23Å; W1523-L1535 HydrophobicContact CZ3-CD1 4.02Å; W1523-L1535 VanDerWaalsContact NE1-N 3.15Å; W1523-D1573 PolarHBondContact N-OD1 2.84Å | ||
| 1524 | G | 79.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -64.2 | -171.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1526 G1532 K1571 D1573 | G1524-L1526 PolarHBondContact O-N 3.08Å; G1524-G1532 PolarHBondContact O-N 3.42Å; G1524-G1532 VanDerWaalsContact O-N 3.11Å; G1524-K1571 WeakPolarHBondContact CA-O 3.39Å; G1524-D1573 VanDerWaalsContact CA-OD1 3.28Å; G1524-D1573 WeakPolarHBondContact CA-OD1 3.22Å; G1524-D1573 PolarHBondContact N-OD1 3.49Å | ||
| 1525 | R | 75.2 | Confident | 81 | Confident | 119 Ų | 119 | 46.4 Ų | 46.4 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | B | Isolated β-bridge | trans | -65.3 | 117.7 | -172 | -161.2 | 173.9 | 179.2 | 111.2 | -4 | 111.4 | G1529 K1530 R1570 K1571 | R1525-G1529 WeakPolarHBondContact CG-O 3.25Å; R1525-G1529 PolarHBondContact NE-O 3.43Å; R1525-G1529 PolarHBondContact NH1-O 2.89Å; R1525-G1529 PolarHBondContact NH2-O 2.87Å; R1525-K1530 CarbonylContact C-O 3.42Å; R1525-R1570 HydrophobicContact CB-CB 4.05Å; R1525-R1570 VanDerWaalsContact O-CD 3.28Å; R1525-R1570 WeakPolarHBondContact O-CD 3.42Å; R1525-K1571 PolarHBondContact N-O 2.82Å |
| 1526 | L | 73.4 | Confident | 81.5 | Confident | 24 Ų | 24 | 39.6 Ų | 39.6 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | trans | -66.6 | 167.9 | 175.6 | -49.2 | 177 | 0 | 0 | 0 | 111.8 | R1327 G1524 T1528 G1529 K1530 G1532 Q1536 | R1327-L1526 VanDerWaalsContact C-CD2 3.41Å; R1327-L1526 HydrophobicContact CB-CD2 3.86Å; R1327-L1526 HydrophobicContact CG-CD1 4.31Å; R1327-L1526 HydrophobicContact CG-CD2 3.84Å; R1327-L1526 WeakPolarHBondContact O-CA 3.46Å; R1327-L1526 VanDerWaalsContact O-CB 3.29Å; R1327-L1526 WeakPolarHBondContact O-CB 3.4Å; R1327-L1526 WeakPolarHBondContact O-CD2 3.17Å; G1524-L1526 PolarHBondContact O-N 3.08Å; L1526-T1528 PolarHBondContact O-N 2.88Å; L1526-T1528 VanDerWaalsContact O-N 3.1Å; L1526-G1529 PolarHBondContact O-N 3.34Å; L1526-K1530 WeakPolarHBondContact CB-O 3.46Å; L1526-K1530 VanDerWaalsContact CG-O 3.3Å; L1526-K1530 WeakPolarHBondContact CG-O 3.47Å; L1526-K1530 PolarHBondContact N-O 3.17Å; L1526-G1532 VanDerWaalsContact CD2-CA 3.48Å; L1526-Q1536 HydrophobicContact CD2-CG 4.48Å | ||
| 1527 | R | 65 | Low | 81.8 | Confident | 141 Ų | 141 | 38.6 Ų | 38.6 | 53% | 0.532 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.7 | 169.3 | -167.4 | -177 | 69.1 | 84.3 | -2.3 | 113 | N1326 G1529 | N1326-R1527 PolarHBondContact OD1-NE 3.12Å; N1326-R1527 PolarHBondContact OD1-NH2 2.77Å; R1527-G1529 PolarHBondContact O-N 3.25Å |
| 1528 | T | 67 | Low | 81.7 | Confident | 88 Ų | 88 | 37.1 Ų | 37.1 | 54% | 0.54 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -3.1 | 177.7 | 58.7 | 0 | 0 | 0 | 0 | 114 | L1526 K1530 | L1526-T1528 PolarHBondContact O-N 2.88Å; L1526-T1528 VanDerWaalsContact O-N 3.1Å; T1528-K1530 PolarHBondContact O-N 2.91Å |
| 1529 | G | 67 | Low | 81.5 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 27% | 0.268 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 79 | -7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | R1525 L1526 R1527 | R1525-G1529 WeakPolarHBondContact CG-O 3.25Å; R1525-G1529 PolarHBondContact NE-O 3.43Å; R1525-G1529 PolarHBondContact NH1-O 2.89Å; R1525-G1529 PolarHBondContact NH2-O 2.87Å; L1526-G1529 PolarHBondContact O-N 3.34Å; R1527-G1529 PolarHBondContact O-N 3.25Å |
| 1530 | K | 74.8 | Confident | 81.1 | Confident | 157 Ų | 157 | 39.2 Ų | 39.2 | 68% | 0.683 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -85.2 | 158.4 | 170 | -60.3 | -174.4 | 180 | -177.2 | 0 | 110 | R1525 L1526 T1528 | R1525-K1530 CarbonylContact C-O 3.42Å; L1526-K1530 WeakPolarHBondContact CB-O 3.46Å; L1526-K1530 VanDerWaalsContact CG-O 3.3Å; L1526-K1530 WeakPolarHBondContact CG-O 3.47Å; L1526-K1530 PolarHBondContact N-O 3.17Å; T1528-K1530 PolarHBondContact O-N 2.91Å |
| 1531 | F | 75 | Confident | 80.9 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 33% | 0.333 | 19% | 0.193 | S | C | . | . | B | Isolated β-bridge | trans | -74.3 | 150 | 167.9 | -68.7 | -86.5 | 0 | 0 | 0 | 111 | K1571 | F1531-K1571 VanDerWaalsContact CE1-O 3.31Å; F1531-K1571 WeakPolarHBondContact CE1-O 3.4Å |
| 1532 | G | 72.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 121.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y1455 W1523 G1524 L1526 K1534 | Y1455-G1532 WeakPolarHBondContact CE1-O 3.45Å; W1523-G1532 WeakPolarHBondContact CB-O 3.42Å; W1523-G1532 PolarHBondContact O-N 2.93Å; G1524-G1532 PolarHBondContact O-N 3.42Å; G1524-G1532 VanDerWaalsContact O-N 3.11Å; L1526-G1532 VanDerWaalsContact CD2-CA 3.48Å; G1532-K1534 VanDerWaalsContact C-N 3.33Å |
| 1533 | T | 81.5 | Confident | 80.4 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -70.2 | -37 | 174.7 | 68.2 | 0 | 0 | 0 | 0 | 111 | D1454 Y1455 K1456 W1523 | D1454-T1533 CarbonylContact C-O 3.57Å; D1454-T1533 VanDerWaalsContact CA-O 3.28Å; D1454-T1533 WeakPolarHBondContact CA-O 2.99Å; D1454-T1533 VanDerWaalsContact OD1-CB 3.31Å; D1454-T1533 WeakPolarHBondContact OD1-CB 3.44Å; D1454-T1533 PolarHBondContact OD1-OG1 3.42Å; D1454-T1533 PolarHBondContact OD2-OG1 2.91Å; D1454-T1533 VanDerWaalsContact OD2-OG1 3.14Å; Y1455-T1533 WeakPolarHBondContact CD1-O 3.37Å; Y1455-T1533 PolarHBondContact N-O 2.85Å; K1456-T1533 HydrophobicContact CB-CG2 4.46Å; K1456-T1533 HydrophobicContact CD-CG2 3.62Å; K1456-T1533 HydrophobicContact CG-CG2 3.89Å; W1523-T1533 VanDerWaalsContact CD1-O 3.24Å; W1523-T1533 PolarHBondContact NE1-O 3.28Å |
| 1534 | K | 88.5 | Confident | 79.7 | Confident | 70 Ų | 70 | 48.3 Ų | 48.3 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -94.9 | 148.9 | 178.2 | -59.1 | -168.8 | 179.7 | -171.7 | 0 | 112.9 | E1333 H1453 D1454 G1532 Q1536 | E1333-K1534 HydrophobicContact CG-CB 4.38Å; E1333-K1534 HydrophobicContact CG-CD 4.31Å; E1333-K1534 WeakPolarHBondContact OE1-CD 3.3Å; E1333-K1534 IonicContact OE1-NZ 2.62Å; E1333-K1534 PolarHBondContact OE1-NZ 2.61Å; E1333-K1534 VanDerWaalsContact OE2-CD 3.28Å; E1333-K1534 WeakPolarHBondContact OE2-CD 3.17Å; E1333-K1534 IonicContact OE2-NZ 2.7Å; E1333-K1534 PolarHBondContact OE2-NZ 3.4Å; H1453-K1534 CarbonylContact O-C 3.49Å; H1453-K1534 VanDerWaalsContact O-CA 3.26Å; H1453-K1534 WeakPolarHBondContact O-CA 3Å; D1454-K1534 HydrophobicContact CB-CG 3.93Å; D1454-K1534 WeakPolarHBondContact OD2-CG 3.39Å; G1532-K1534 VanDerWaalsContact C-N 3.33Å; K1534-Q1536 WeakPolarHBondContact O-CG 3.47Å; K1534-Q1536 PolarHBondContact O-NE2 3.09Å |
| 1535 | L | 90.6 | Very high | 79.1 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 135.3 | 178.1 | -177 | 59.9 | 0 | 0 | 0 | 111.3 | A1334 H1339 Q1342 H1453 W1523 | A1334-L1535 HydrophobicContact CB-CB 4.32Å; A1334-L1535 HydrophobicContact CB-CD2 4.21Å; A1334-L1535 HydrophobicContact CB-CG 3.99Å; A1334-L1535 PolarHBondContact N-O 2.8Å; H1339-L1535 HydrophobicContact CB-CD2 4.26Å; Q1342-L1535 HydrophobicContact CB-CD2 4.19Å; Q1342-L1535 HydrophobicContact CG-CD1 3.81Å; Q1342-L1535 HydrophobicContact CG-CD2 4.03Å; H1453-L1535 PolarHBondContact O-N 2.85Å; W1523-L1535 HydrophobicContact CD2-CD1 3.97Å; W1523-L1535 HydrophobicContact CE3-CD1 4.02Å; W1523-L1535 HydrophobicContact CH2-CD1 3.94Å; W1523-L1535 HydrophobicContact CZ2-CB 3.87Å; W1523-L1535 HydrophobicContact CZ2-CD1 3.83Å; W1523-L1535 HydrophobicContact CZ2-CD2 4.38Å; W1523-L1535 HydrophobicContact CZ2-CG 4.23Å; W1523-L1535 HydrophobicContact CZ3-CD1 4.02Å; W1523-L1535 VanDerWaalsContact NE1-N 3.15Å | ||
| 1536 | Q | 89.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 150.6 | -179.7 | -54.2 | -53 | -47.4 | 0 | 0 | 110.3 | R1327 I1328 L1332 E1333 T1521 G1522 L1526 K1534 | R1327-Q1536 HydrophobicContact CB-CG 3.86Å; I1328-Q1536 HydrophobicContact CB-CB 4.38Å; I1328-Q1536 HydrophobicContact CD1-CB 3.59Å; I1328-Q1536 HydrophobicContact CG1-CB 3.59Å; I1328-Q1536 HydrophobicContact CG1-CG 4.26Å; L1332-Q1536 VanDerWaalsContact C-OE1 3.26Å; L1332-Q1536 WeakPolarHBondContact O-CA 3.49Å; L1332-Q1536 PolarHBondContact O-OE1 3.42Å; E1333-Q1536 VanDerWaalsContact N-OE1 3.14Å; T1521-Q1536 VanDerWaalsContact CA-O 3.26Å; T1521-Q1536 WeakPolarHBondContact CA-O 3.48Å; G1522-Q1536 PolarHBondContact N-O 2.9Å; G1522-Q1536 VanDerWaalsContact N-O 3.13Å; G1522-Q1536 PolarHBondContact O-N 3.01Å; L1526-Q1536 HydrophobicContact CD2-CG 4.48Å; K1534-Q1536 WeakPolarHBondContact O-CG 3.47Å; K1534-Q1536 PolarHBondContact O-NE2 3.09Å |
| 1537 | Q | 89.5 | Confident | 78.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.7 | 172.1 | 72.1 | -175.1 | -98.9 | 0 | 0 | 111.6 | I1317 L1332 A1334 S1338 H1339 V1520 T1521 | I1317-Q1537 PolarHBondContact O-OE1 2.79Å; L1332-Q1537 HydrophobicContact CD1-CG 3.59Å; L1332-Q1537 HydrophobicContact CG-CG 4.19Å; L1332-Q1537 PolarHBondContact N-O 2.77Å; L1332-Q1537 PolarHBondContact O-N 2.79Å; A1334-Q1537 HydrophobicContact CB-CB 4.38Å; A1334-Q1537 HydrophobicContact CB-CG 4.28Å; S1338-Q1537 PolarHBondContact OG-NE2 2.98Å; H1339-Q1537 PolarHBondContact CD2-NE2 2.75Å; H1339-Q1537 PolarHBondContact NE2-NE2 3.32Å; H1339-Q1537 PolarHBondContact NE2-OE1 3.25Å; V1520-Q1537 WeakPolarHBondContact O-CA 3.49Å; T1521-Q1537 HydrophobicContact CG2-CB 3.6Å |
| 1538 | F | 83.8 | Confident | 79.3 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.9 | 162.4 | 75.4 | -81.2 | 0 | 0 | 0 | 111.1 | I1328 L1519 V1520 A1569 | I1328-F1538 HydrophobicContact CD1-CD1 3.91Å; I1328-F1538 HydrophobicContact CD1-CE1 4.39Å; I1328-F1538 HydrophobicContact CG2-CD1 3.94Å; I1328-F1538 HydrophobicContact CG2-CE1 4.35Å; L1519-F1538 WeakPolarHBondContact CA-O 3.28Å; V1520-F1538 HydrophobicContact CB-CD1 4.08Å; V1520-F1538 HydrophobicContact CB-CE1 3.54Å; V1520-F1538 HydrophobicContact CB-CZ 3.83Å; V1520-F1538 HydrophobicContact CG1-CE1 3.7Å; V1520-F1538 HydrophobicContact CG1-CZ 4.14Å; V1520-F1538 HydrophobicContact CG2-CE1 4.31Å; V1520-F1538 HydrophobicContact CG2-CZ 4.08Å; V1520-F1538 PolarHBondContact N-O 2.75Å; V1520-F1538 PolarHBondContact O-N 3.1Å; F1538-A1569 HydrophobicContact CE1-CB 4.5Å |
| 1539 | Q | 86.1 | Confident | 79.7 | Confident | 45 Ų | 45 | 47.7 Ų | 47.7 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 135.3 | 174.2 | -171.3 | -178.3 | -4.8 | 0 | 0 | 110.8 | C1518 L1519 | C1518-Q1539 CarbonylContact O-C 3.54Å; C1518-Q1539 VanDerWaalsContact O-CA 3.31Å; C1518-Q1539 WeakPolarHBondContact O-CA 3.46Å; C1518-Q1539 WeakPolarHBondContact O-CG 3.2Å; L1519-Q1539 HydrophobicContact CD2-CB 3.93Å; L1519-Q1539 HydrophobicContact CD2-CG 4.34Å |
| 1540 | T | 85.8 | Confident | 80.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 160.6 | -179.6 | -157.4 | 0 | 0 | 0 | 0 | 110.3 | C1518 V1520 T1560 G1561 L1578 | C1518-T1540 HydrophobicContact CB-CG2 4.23Å; C1518-T1540 PolarHBondContact O-N 3.11Å; V1520-T1540 HydrophobicContact CG2-CG2 3.79Å; T1540-T1560 HydrophobicContact CG2-CG2 3.98Å; T1540-T1560 WeakPolarHBondContact CG2-OG1 3.39Å; T1540-T1560 WeakPolarHBondContact OG1-CB 3.43Å; T1540-T1560 PolarHBondContact OG1-OG1 3.09Å; T1540-G1561 PolarHBondContact OG1-O 2.86Å; T1540-L1578 HydrophobicContact CG2-CD1 3.48Å; T1540-L1578 VanDerWaalsContact CG2-CD1 3.48Å |
| 1541 | H | 84.8 | Confident | 80.1 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.8 | 178.4 | -64.7 | -83.1 | 0 | 0 | 0 | 110 | P1514 I1543 T1560 G1561 | P1514-H1541 PolarHBondContact O-ND1 3.47Å; H1541-I1543 PolarHBondContact O-N 2.98Å; H1541-T1560 CarbonylContact O-C 3.43Å; H1541-T1560 WeakPolarHBondContact O-CA 3.31Å; H1541-T1560 VanDerWaalsContact O-CB 3.24Å; H1541-T1560 WeakPolarHBondContact O-CB 3.25Å; H1541-G1561 PolarHBondContact N-O 2.84Å; H1541-G1561 VanDerWaalsContact N-O 3.13Å; H1541-G1561 PolarHBondContact O-N 3.2Å |
| 1542 | I | 88.3 | Confident | 80.4 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.7 | 172.3 | -65 | 174.3 | 0 | 0 | 0 | 108.3 | P1512 P1514 I1558 T1560 | P1512-I1542 HydrophobicContact CB-CD1 4.29Å; P1512-I1542 HydrophobicContact CG-CD1 4.26Å; P1514-I1542 WeakPolarHBondContact CB-O 3.46Å; I1542-I1558 HydrophobicContact CG1-CG2 4.18Å; I1542-I1558 HydrophobicContact CG2-CG2 4.04Å; I1542-T1560 HydrophobicContact CG1-CG2 4.33Å |
| 1543 | I | 83.4 | Confident | 81 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -93.4 | 113.6 | 174 | -55.8 | -173.1 | 0 | 0 | 0 | 107.2 | H1541 C1559 L1603 R1606 | H1541-I1543 PolarHBondContact O-N 2.98Å; I1543-C1559 HydrophobicContact CB-CB 4.28Å; I1543-C1559 PolarHBondContact N-O 2.84Å; I1543-L1603 HydrophobicContact CD1-CB 4.18Å; I1543-L1603 HydrophobicContact CD1-CD1 3.78Å; I1543-L1603 HydrophobicContact CG1-CD1 3.68Å; I1543-R1606 HydrophobicContact CD1-CG 3.93Å | ||
| 1544 | D | 72.5 | Confident | 81.1 | Confident | 134 Ų | 134 | 52.7 Ų | 52.7 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | trans | -86.4 | 142.3 | 171.5 | -164.9 | 10.4 | 0 | 0 | 0 | 110.2 | P1514 | P1514-D1544 HydrophobicContact CG-CB 4.09Š| ||
| 1545 | G | 68.3 | Low | 80.9 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 92.3 | -176.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1546 | K | 67.9 | Low | 80.9 | Confident | 190 Ų | 190 | 58.6 Ų | 58.6 | 83% | 0.826 | 30% | 0.304 | S | S | * | . | trans | -67 | 132.4 | -170.3 | -73.9 | -177.3 | 175.8 | 178.7 | 0 | 113.4 | ||||
| 1547 | V | 75.7 | Confident | 81 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | trans | -103.2 | 135.4 | 170.4 | -179.9 | 0 | 0 | 0 | 0 | 108 | N1549 F1552 C1559 F1596 E1598 | V1547-N1549 VanDerWaalsContact C-N 3.26Å; V1547-N1549 HydrophobicContact CG1-CB 3.99Å; V1547-N1549 PolarHBondContact O-N 3.14Å; V1547-F1552 HydrophobicContact CB-CB 4.26Å; V1547-F1552 HydrophobicContact CB-CD1 3.52Å; V1547-F1552 HydrophobicContact CB-CE1 3.99Å; V1547-F1552 HydrophobicContact CB-CG 3.88Å; V1547-F1552 HydrophobicContact CG1-CB 4.06Å; V1547-F1552 HydrophobicContact CG1-CD1 4.18Å; V1547-F1552 HydrophobicContact CG1-CG 4.01Å; V1547-F1552 HydrophobicContact CG2-CD1 3.7Å; V1547-F1552 HydrophobicContact CG2-CE1 3.63Å; V1547-F1552 HydrophobicContact CG2-CE2 4.49Å; V1547-F1552 HydrophobicContact CG2-CG 4.16Å; V1547-F1552 HydrophobicContact CG2-CZ 4.06Å; V1547-C1559 HydrophobicContact CG2-CB 3.68Å; V1547-F1596 HydrophobicContact CG1-CE2 3.59Å; V1547-F1596 HydrophobicContact CG1-CZ 3.55Å; V1547-E1598 WeakPolarHBondContact CG1-OE2 3.47Å | ||
| 1548 | S | 73.8 | Confident | 81 | Confident | 94 Ų | 94 | 59 Ų | 59 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | trans | -82.5 | 2.4 | -175.5 | 85.8 | 0 | 0 | 0 | 0 | 114.8 | E1598 | S1548-E1598 WeakPolarHBondContact CB-OE1 3.43Å; S1548-E1598 PolarHBondContact N-OE1 3.25Å; S1548-E1598 PolarHBondContact OG-OE1 3.33Å | ||
| 1549 | N | 75.4 | Confident | 81.3 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | trans | -75.8 | 122.1 | -179.3 | -177.7 | -18.1 | 0 | 0 | 0 | 109.7 | V1547 F1551 F1552 F1596 | V1547-N1549 VanDerWaalsContact C-N 3.26Å; V1547-N1549 HydrophobicContact CG1-CB 3.99Å; V1547-N1549 PolarHBondContact O-N 3.14Å; N1549-F1551 PolarHBondContact O-N 3.24Å; N1549-F1551 WeakPolarHBondContact OD1-CD2 3.5Å; N1549-F1551 PolarHBondContact OD1-N 3Å; N1549-F1552 HydrophobicContact CB-CB 4.07Å; N1549-F1552 WeakPolarHBondContact O-CB 3.4Å; N1549-F1552 PolarHBondContact O-N 3.24Å; N1549-F1596 HydrophobicContact CB-CD2 4.01Å; N1549-F1596 HydrophobicContact CB-CE2 3.86Å; N1549-F1596 HydrophobicContact CB-CZ 4.31Å; N1549-F1596 WeakPolarHBondContact ND2-CD1 3.3Å; N1549-F1596 WeakPolarHBondContact ND2-CD2 3.46Å; N1549-F1596 WeakPolarHBondContact ND2-CG 3.3Å | ||
| 1550 | P | 74.4 | Confident | 81.4 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 75% | 0.753 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.2 | -177.1 | 26 | -35.7 | 0 | 0 | 0 | 114 | F1552 | P1550-F1552 VanDerWaalsContact C-N 3.32Š|
| 1551 | F | 74.8 | Confident | 81.2 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.6 | 175.6 | -52.6 | -72.5 | 0 | 0 | 0 | 112.9 | E1478 N1549 Q1553 M1557 F1594 | E1478-F1551 WeakPolarHBondContact O-CD1 3.45Å; E1478-F1551 WeakPolarHBondContact O-CE1 3.24Å; N1549-F1551 PolarHBondContact O-N 3.24Å; N1549-F1551 WeakPolarHBondContact OD1-CD2 3.5Å; N1549-F1551 PolarHBondContact OD1-N 3Å; F1551-Q1553 PolarHBondContact O-N 2.98Å; F1551-M1557 WeakPolarHBondContact O-CE 3.38Å; F1551-F1594 HydrophobicContact CB-CZ 4.18Å |
| 1552 | F | 82.2 | Confident | 80.5 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | trans | -84.5 | 112.8 | -179.3 | -178.6 | -94.2 | 0 | 0 | 0 | 111.6 | V1547 N1549 P1550 E1554 M1557 C1559 A1608 | V1547-F1552 HydrophobicContact CB-CB 4.26Å; V1547-F1552 HydrophobicContact CB-CD1 3.52Å; V1547-F1552 HydrophobicContact CB-CE1 3.99Å; V1547-F1552 HydrophobicContact CB-CG 3.88Å; V1547-F1552 HydrophobicContact CG1-CB 4.06Å; V1547-F1552 HydrophobicContact CG1-CD1 4.18Å; V1547-F1552 HydrophobicContact CG1-CG 4.01Å; V1547-F1552 HydrophobicContact CG2-CD1 3.7Å; V1547-F1552 HydrophobicContact CG2-CE1 3.63Å; V1547-F1552 HydrophobicContact CG2-CE2 4.49Å; V1547-F1552 HydrophobicContact CG2-CG 4.16Å; V1547-F1552 HydrophobicContact CG2-CZ 4.06Å; N1549-F1552 HydrophobicContact CB-CB 4.07Å; N1549-F1552 WeakPolarHBondContact O-CB 3.4Å; N1549-F1552 PolarHBondContact O-N 3.24Å; P1550-F1552 VanDerWaalsContact C-N 3.32Å; F1552-E1554 HydrophobicContact CE1-CB 3.97Å; F1552-E1554 HydrophobicContact CE1-CG 4.46Å; F1552-M1557 HydrophobicContact CD2-CB 3.85Å; F1552-M1557 HydrophobicContact CD2-SD 4.05Å; F1552-M1557 HydrophobicContact CE2-CB 3.48Å; F1552-M1557 VanDerWaalsContact CE2-CB 3.48Å; F1552-M1557 HydrophobicContact CZ-CB 4.14Å; F1552-C1559 HydrophobicContact CD2-CB 4.38Å; F1552-C1559 HydrophobicContact CE2-CB 3.65Å; F1552-C1559 HydrophobicContact CZ-CB 3.8Å; F1552-A1608 HydrophobicContact CD2-CB 4.32Å | ||
| 1553 | Q | 84.4 | Confident | 79.6 | Confident | 67 Ų | 67 | 62.1 Ų | 62.1 | 31% | 0.313 | 32% | 0.319 | S | S | . | . | trans | -104 | 101.4 | 175.9 | -58.2 | -165.4 | 22 | 0 | 0 | 111.2 | F1551 K1555 L1556 M1557 | F1551-Q1553 PolarHBondContact O-N 2.98Å; Q1553-K1555 PolarHBondContact O-N 3.3Å; Q1553-L1556 HydrophobicContact CB-CB 4.33Å; Q1553-L1556 HydrophobicContact CB-CG 4.47Å; Q1553-L1556 CarbonylContact O-C 3.53Å; Q1553-L1556 PolarHBondContact O-N 2.89Å; Q1553-M1557 WeakPolarHBondContact O-CB 3.27Å; Q1553-M1557 PolarHBondContact O-N 2.87Å | ||
| 1554 | E | 83.2 | Confident | 78.6 | Confident | 104 Ų | 104 | 65.7 Ų | 65.7 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -28.3 | -177.9 | -168.7 | -173.8 | 150.9 | 0 | 0 | 114.8 | F1552 K1611 | F1552-E1554 HydrophobicContact CE1-CB 3.97Å; F1552-E1554 HydrophobicContact CE1-CG 4.46Å; E1554-K1611 PolarHBondContact O-NZ 3.24Å; E1554-K1611 VanDerWaalsContact O-NZ 3.12Å |
| 1555 | K | 85.6 | Confident | 78 | Confident | 175 Ų | 175 | 64.3 Ų | 64.3 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -29.3 | 176.1 | -66.5 | -175.5 | 180 | 178.9 | 0 | 113.6 | Q1553 | Q1553-K1555 PolarHBondContact O-N 3.3Š|
| 1556 | L | 88.7 | Confident | 77.6 | Confident | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.131 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -16.9 | -172.5 | -56 | -175.7 | 0 | 0 | 0 | 113.4 | T1481 Q1553 K1611 R1614 | T1481-L1556 HydrophobicContact CG2-CD1 3.81Å; Q1553-L1556 HydrophobicContact CB-CB 4.33Å; Q1553-L1556 HydrophobicContact CB-CG 4.47Å; Q1553-L1556 CarbonylContact O-C 3.53Å; Q1553-L1556 PolarHBondContact O-N 2.89Å; L1556-K1611 WeakPolarHBondContact O-CB 3.32Å; L1556-K1611 PolarHBondContact O-N 3.2Å; L1556-R1614 HydrophobicContact CD2-CG 3.85Å |
| 1557 | M | 91.6 | Very high | 77.1 | Confident | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154.8 | -172.1 | -58.9 | 178.6 | -176 | 0 | 0 | 112.3 | A1480 F1551 F1552 Q1553 F1594 A1608 F1609 | A1480-M1557 HydrophobicContact CB-CE 4.38Å; A1480-M1557 VanDerWaalsContact O-CE 3.22Å; A1480-M1557 WeakPolarHBondContact O-CE 3.05Å; F1551-M1557 WeakPolarHBondContact O-CE 3.38Å; F1552-M1557 HydrophobicContact CD2-CB 3.85Å; F1552-M1557 HydrophobicContact CD2-SD 4.05Å; F1552-M1557 HydrophobicContact CE2-CB 3.48Å; F1552-M1557 VanDerWaalsContact CE2-CB 3.48Å; F1552-M1557 HydrophobicContact CZ-CB 4.14Å; Q1553-M1557 WeakPolarHBondContact O-CB 3.27Å; Q1553-M1557 PolarHBondContact O-N 2.87Å; M1557-F1594 HydrophobicContact CE-CE1 3.89Å; M1557-F1594 HydrophobicContact CE-CZ 4.38Å; M1557-F1594 HydrophobicContact SD-CE1 3.92Å; M1557-F1594 HydrophobicContact SD-CZ 4Å; M1557-A1608 HydrophobicContact SD-CB 4.28Å; M1557-F1609 CarbonylContact C-O 3.55Å; M1557-F1609 VanDerWaalsContact CA-O 3.27Å; M1557-F1609 WeakPolarHBondContact CA-O 3.5Å |
| 1558 | I | 90.9 | Very high | 76.5 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.2 | 169 | -57.2 | 170.5 | 0 | 0 | 0 | 107 | L1511 I1542 T1560 L1578 Y1589 A1608 F1609 K1611 | L1511-I1558 HydrophobicContact CD1-CD1 4.45Å; L1511-I1558 HydrophobicContact CD1-CG1 4.02Å; L1511-I1558 HydrophobicContact CD1-CG2 4.46Å; L1511-I1558 HydrophobicContact CD2-CD1 3.59Å; L1511-I1558 HydrophobicContact CD2-CG1 4.02Å; I1542-I1558 HydrophobicContact CG1-CG2 4.18Å; I1542-I1558 HydrophobicContact CG2-CG2 4.04Å; I1558-T1560 HydrophobicContact CG2-CG2 4.21Å; I1558-L1578 HydrophobicContact CG2-CD2 4.21Å; I1558-Y1589 WeakPolarHBondContact CD1-O 3.19Å; I1558-A1608 WeakPolarHBondContact O-CA 3.41Å; I1558-F1609 HydrophobicContact CB-CB 4.43Å; I1558-F1609 PolarHBondContact N-O 3.01Å; I1558-F1609 PolarHBondContact O-N 3.13Å; I1558-K1611 HydrophobicContact CD1-CB 4.36Å; I1558-K1611 HydrophobicContact CD1-CG 4.12Å; I1558-K1611 HydrophobicContact CG1-CB 3.9Å; I1558-K1611 HydrophobicContact CG1-CD 4.16Å; I1558-K1611 HydrophobicContact CG1-CG 3.76Å |
| 1559 | C | 89.1 | Confident | 76.2 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 135.3 | 168.2 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | I1543 V1547 F1552 Q1607 | I1543-C1559 HydrophobicContact CB-CB 4.28Å; I1543-C1559 PolarHBondContact N-O 2.84Å; V1547-C1559 HydrophobicContact CG2-CB 3.68Å; F1552-C1559 HydrophobicContact CD2-CB 4.38Å; F1552-C1559 HydrophobicContact CE2-CB 3.65Å; F1552-C1559 HydrophobicContact CZ-CB 3.8Å; C1559-Q1607 WeakPolarHBondContact CA-O 3.33Å |
| 1560 | T | 88.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 159.7 | 165 | 85 | 0 | 0 | 0 | 0 | 110.8 | T1540 H1541 I1542 I1558 L1578 R1606 Q1607 F1609 | T1540-T1560 HydrophobicContact CG2-CG2 3.98Å; T1540-T1560 WeakPolarHBondContact CG2-OG1 3.39Å; T1540-T1560 WeakPolarHBondContact OG1-CB 3.43Å; T1540-T1560 PolarHBondContact OG1-OG1 3.09Å; H1541-T1560 CarbonylContact O-C 3.43Å; H1541-T1560 WeakPolarHBondContact O-CA 3.31Å; H1541-T1560 VanDerWaalsContact O-CB 3.24Å; H1541-T1560 WeakPolarHBondContact O-CB 3.25Å; I1542-T1560 HydrophobicContact CG1-CG2 4.33Å; I1558-T1560 HydrophobicContact CG2-CG2 4.21Å; T1560-L1578 HydrophobicContact CG2-CD1 4.05Å; T1560-L1578 HydrophobicContact CG2-CD2 3.62Å; T1560-R1606 VanDerWaalsContact O-CA 3.3Å; T1560-R1606 WeakPolarHBondContact O-CA 3.43Å; T1560-Q1607 PolarHBondContact N-O 3.15Å; T1560-Q1607 PolarHBondContact O-N 3.01Å; T1560-F1609 HydrophobicContact CG2-CD2 3.9Å; T1560-F1609 HydrophobicContact CG2-CE2 3.77Å; T1560-F1609 WeakPolarHBondContact OG1-CE2 3.26Å |
| 1561 | G | 80.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1540 H1541 | T1540-G1561 PolarHBondContact OG1-O 2.86Å; H1541-G1561 PolarHBondContact N-O 2.84Å; H1541-G1561 VanDerWaalsContact N-O 3.13Å; H1541-G1561 PolarHBondContact O-N 3.2Å |
| 1562 | S | 71.8 | Confident | 75.5 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.063 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146 | -176.8 | -171.4 | 0 | 0 | 0 | 0 | 111.5 | K1564 T1567 L1603 K1604 | S1562-K1564 PolarHBondContact O-N 2.94Å; S1562-T1567 WeakPolarHBondContact CB-OG1 3.5Å; S1562-T1567 VanDerWaalsContact OG-CB 3.28Å; S1562-T1567 WeakPolarHBondContact OG-CB 3.27Å; S1562-T1567 PolarHBondContact OG-OG1 3.31Å; S1562-L1603 WeakPolarHBondContact O-CA 3.48Å; S1562-K1604 PolarHBondContact N-O 3.4Å; S1562-K1604 PolarHBondContact O-N 3.17Å |
| 1563 | K | 67.5 | Low | 75.5 | Confident | 148 Ų | 148 | 53.5 Ų | 53.5 | 64% | 0.643 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -70.8 | -13.8 | 178 | -64.8 | -179.3 | -178.8 | 174.2 | 0 | 112.9 | L1603 | K1563-L1603 HydrophobicContact CB-CD2 4.38Å; K1563-L1603 HydrophobicContact CG-CD2 3.57Å |
| 1564 | K | 63.9 | Low | 75.6 | Confident | 100 Ų | 100 | 51.4 Ų | 51.4 | 44% | 0.435 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -95 | 149.8 | 176.2 | -69.9 | 175.6 | -178.5 | 172.1 | 0 | 110.4 | S1562 T1567 | S1562-K1564 PolarHBondContact O-N 2.94Å; K1564-T1567 HydrophobicContact CB-CG2 4.12Å; K1564-T1567 WeakPolarHBondContact CB-OG1 3.44Å; K1564-T1567 PolarHBondContact O-OG1 3.38Å |
| 1565 | K | 60.3 | Low | 76 | Confident | 104 Ų | 104 | 46.6 Ų | 46.6 | 45% | 0.452 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 147.8 | 165.5 | -80.6 | -174.4 | 177.3 | -176.6 | 0 | 109.2 | D183 N1330 T1567 K1604 | D183-K1565 IonicContact OD1-NZ 3.65Å; D183-K1565 IonicContact OD2-NZ 2.83Å; D183-K1565 PolarHBondContact OD2-NZ 3.21Å; N1330-K1565 PolarHBondContact ND2-O 3.08Å; K1565-T1567 PolarHBondContact O-N 3.34Å; K1565-K1604 HydrophobicContact CG-CD 3.96Å |
| 1566 | N | 59.2 | Low | 76.3 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 10.6 | 177.4 | -64.4 | -65.7 | 0 | 0 | 0 | 116.2 | S1329 G1568 D1605 | S1329-N1566 CarbonylContact C-O 3.52Å; S1329-N1566 WeakPolarHBondContact CB-O 3.46Å; S1329-N1566 CarbonylContact O-C 3.52Å; S1329-N1566 PolarHBondContact OG-O 2.97Å; N1566-G1568 PolarHBondContact O-N 3.17Å; N1566-G1568 VanDerWaalsContact O-N 3.16Å; N1566-D1605 WeakPolarHBondContact CA-OD2 3.36Å; N1566-D1605 PolarHBondContact N-OD2 3.25Å |
| 1567 | T | 56.3 | Low | 76.6 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | -82.6 | 86.2 | 175.4 | 17.7 | 0 | 0 | 0 | 0 | 111.8 | S1329 N1330 S1562 K1564 K1565 | S1329-T1567 VanDerWaalsContact O-CA 3.32Å; S1329-T1567 WeakPolarHBondContact O-CA 3.02Å; N1330-T1567 HydrophobicContact CB-CG2 3.45Å; N1330-T1567 VanDerWaalsContact CB-CG2 3.45Å; S1562-T1567 WeakPolarHBondContact CB-OG1 3.5Å; S1562-T1567 VanDerWaalsContact OG-CB 3.28Å; S1562-T1567 WeakPolarHBondContact OG-CB 3.27Å; S1562-T1567 PolarHBondContact OG-OG1 3.31Å; K1564-T1567 HydrophobicContact CB-CG2 4.12Å; K1564-T1567 WeakPolarHBondContact CB-OG1 3.44Å; K1564-T1567 PolarHBondContact O-OG1 3.38Å; K1565-T1567 PolarHBondContact O-N 3.34Å | ||
| 1568 | G | 63.9 | Low | 76.8 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -160.7 | 155.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1566 | N1566-G1568 PolarHBondContact O-N 3.17Å; N1566-G1568 VanDerWaalsContact O-N 3.16Å |
| 1569 | A | 68.6 | Low | 77.1 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 16% | 0.157 | 17% | 0.174 | C | C | . | . | trans | -62.3 | 153.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1520 F1538 D1573 L1592 Q1607 | V1520-A1569 HydrophobicContact CG1-CB 4.39Å; F1538-A1569 HydrophobicContact CE1-CB 4.5Å; A1569-D1573 HydrophobicContact CB-CB 3.77Å; A1569-L1592 HydrophobicContact CB-CD1 4.39Å; A1569-L1592 HydrophobicContact CB-CD2 3.32Å; A1569-Q1607 VanDerWaalsContact CB-OE1 3.25Å | ||
| 1570 | R | 74.7 | Confident | 77.4 | Confident | 94 Ų | 94 | 36.5 Ų | 36.5 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | trans | -133.1 | -179.3 | -175.6 | -57.2 | -156.5 | -175.3 | -148.3 | -7.2 | 111.2 | S1329 R1525 G1572 D1573 | S1329-R1570 PolarHBondContact OG-NE 2.78Å; S1329-R1570 VanDerWaalsContact OG-NE 3.15Å; S1329-R1570 PolarHBondContact OG-NH2 3.3Å; R1525-R1570 HydrophobicContact CB-CB 4.05Å; R1525-R1570 VanDerWaalsContact O-CD 3.28Å; R1525-R1570 WeakPolarHBondContact O-CD 3.42Å; R1570-G1572 PolarHBondContact O-N 3.19Å; R1570-D1573 PolarHBondContact N-OD2 3.39Å; R1570-D1573 WeakPolarHBondContact O-CB 3.15Å; R1570-D1573 PolarHBondContact O-N 3.48Å | ||
| 1571 | K | 68.4 | Low | 77.5 | Confident | 170 Ų | 170 | 38.4 Ų | 38.4 | 74% | 0.739 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 125 | 174.5 | -170.5 | 166.9 | -175 | 170 | 0 | 110.1 | G1524 R1525 F1531 | G1524-K1571 WeakPolarHBondContact CA-O 3.39Å; R1525-K1571 PolarHBondContact N-O 2.82Å; F1531-K1571 VanDerWaalsContact CE1-O 3.31Å; F1531-K1571 WeakPolarHBondContact CE1-O 3.4Å |
| 1572 | G | 65.9 | Low | 77.7 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -14.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R1570 | R1570-G1572 PolarHBondContact O-N 3.19Š|
| 1573 | D | 83 | Confident | 78.2 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.011 | 24% | 0.239 | C | C | . | . | trans | -91.1 | -16.5 | 172.4 | -61.5 | -52.3 | 0 | 0 | 0 | 112.9 | G1522 W1523 G1524 A1569 R1570 G1576 L1592 | G1522-D1573 VanDerWaalsContact C-OD1 3.31Å; G1522-D1573 VanDerWaalsContact CA-OD1 3.3Å; G1522-D1573 WeakPolarHBondContact CA-OD1 3.49Å; W1523-D1573 PolarHBondContact N-OD1 2.84Å; G1524-D1573 VanDerWaalsContact CA-OD1 3.28Å; G1524-D1573 WeakPolarHBondContact CA-OD1 3.22Å; G1524-D1573 PolarHBondContact N-OD1 3.49Å; A1569-D1573 HydrophobicContact CB-CB 3.77Å; R1570-D1573 PolarHBondContact N-OD2 3.39Å; R1570-D1573 WeakPolarHBondContact O-CB 3.15Å; R1570-D1573 PolarHBondContact O-N 3.48Å; D1573-G1576 WeakPolarHBondContact O-CA 3.42Å; D1573-G1576 PolarHBondContact O-N 2.95Å; D1573-L1592 HydrophobicContact CB-CD2 3.86Å | ||
| 1574 | S | 86.4 | Confident | 78.9 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.9 | 139.1 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 113 | C1356 G1357 H1377 G1576 | C1356-S1574 WeakPolarHBondContact CB-O 3.12Å; G1357-S1574 PolarHBondContact N-O 3.47Å; H1377-S1574 VanDerWaalsContact NE2-CB 3.27Å; H1377-S1574 WeakPolarHBondContact NE2-CB 3.27Å; H1377-S1574 PolarHBondContact NE2-OG 3.27Å; S1574-G1576 PolarHBondContact O-N 3.16Å |
| 1575 | G | 90.6 | Very high | 80.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -9.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G1357 G1358 T1374 L1592 | G1357-G1575 CarbonylContact C-O 3.57Å; G1357-G1575 CarbonylContact O-C 3.46Å; G1357-G1575 WeakPolarHBondContact O-CA 3.3Å; G1358-G1575 WeakPolarHBondContact CA-O 3.48Å; T1374-G1575 WeakPolarHBondContact OG1-CA 3.4Å; G1575-L1592 PolarHBondContact N-O 2.72Å |
| 1576 | G | 92.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -65.1 | 158 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1573 S1574 L1592 | D1573-G1576 WeakPolarHBondContact O-CA 3.42Å; D1573-G1576 PolarHBondContact O-N 2.95Å; S1574-G1576 PolarHBondContact O-N 3.16Å; G1576-L1592 WeakPolarHBondContact O-CB 3.04Å; G1576-L1592 PolarHBondContact O-N 2.74Å | ||
| 1577 | P | 95.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 153.2 | -171.8 | 35.1 | -38.3 | 0 | 0 | 0 | 113.8 | S1359 V1579 I1588 | S1359-P1577 VanDerWaalsContact OG-CB 3.26Å; S1359-P1577 WeakPolarHBondContact OG-CB 3.42Å; S1359-P1577 WeakPolarHBondContact OG-CD 3.48Å; S1359-P1577 WeakPolarHBondContact OG-CG 3.32Å; P1577-V1579 HydrophobicContact CB-CG1 3.9Å; P1577-V1579 HydrophobicContact CG-CG1 4.3Å; P1577-I1588 HydrophobicContact CB-CD1 3.57Å; P1577-I1588 HydrophobicContact CB-CG1 4.07Å |
| 1578 | L | 95.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 101.8 | 153.3 | 178.2 | 69.2 | 0 | 0 | 0 | 108.1 | C1518 V1520 T1540 I1558 T1560 Y1589 G1590 F1609 | C1518-L1578 HydrophobicContact CB-CD1 3.79Å; C1518-L1578 HydrophobicContact CB-CG 4.5Å; V1520-L1578 HydrophobicContact CG2-CD1 3.68Å; T1540-L1578 HydrophobicContact CG2-CD1 3.48Å; T1540-L1578 VanDerWaalsContact CG2-CD1 3.48Å; I1558-L1578 HydrophobicContact CG2-CD2 4.21Å; T1560-L1578 HydrophobicContact CG2-CD1 4.05Å; T1560-L1578 HydrophobicContact CG2-CD2 3.62Å; L1578-Y1589 PolarHBondContact O-N 2.84Å; L1578-G1590 PolarHBondContact N-O 2.81Å; L1578-G1590 PolarHBondContact O-N 2.79Å; L1578-F1609 HydrophobicContact CB-CD1 3.58Å; L1578-F1609 HydrophobicContact CB-CE1 3.71Å; L1578-F1609 HydrophobicContact CB-CG 4.14Å; L1578-F1609 HydrophobicContact CB-CZ 4.35Å; L1578-F1609 HydrophobicContact CD1-CZ 4.4Å; L1578-F1609 HydrophobicContact CD2-CD1 4.42Å; L1578-F1609 HydrophobicContact CD2-CD2 4.19Å; L1578-F1609 HydrophobicContact CD2-CG 4.14Å |
| 1579 | V | 96.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.9 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | W1341 V1502 C1518 L1519 P1577 F1586 V1587 I1588 | W1341-V1579 HydrophobicContact CZ2-CG2 4.25Å; V1502-V1579 HydrophobicContact CG2-CG1 3.83Å; C1518-V1579 CarbonylContact C-O 3.51Å; C1518-V1579 VanDerWaalsContact CA-O 3.23Å; C1518-V1579 WeakPolarHBondContact CA-O 3.49Å; L1519-V1579 HydrophobicContact CB-CG2 3.98Å; L1519-V1579 PolarHBondContact N-O 2.83Å; L1519-V1579 PolarHBondContact O-N 3.46Å; P1577-V1579 HydrophobicContact CB-CG1 3.9Å; P1577-V1579 HydrophobicContact CG-CG1 4.3Å; V1579-F1586 HydrophobicContact CB-CB 4.4Å; V1579-F1586 HydrophobicContact CB-CD1 4.17Å; V1579-F1586 HydrophobicContact CG2-CD1 3.81Å; V1579-F1586 HydrophobicContact CG2-CE1 4.39Å; V1579-V1587 CarbonylContact C-O 3.59Å; V1579-V1587 WeakPolarHBondContact CA-O 3.36Å; V1579-I1588 HydrophobicContact CG1-CB 4.44Å |
| 1580 | C | 94.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.5 | 176.4 | -56.1 | 0 | 0 | 0 | 0 | 110.1 | P1512 C1518 R1582 V1587 Y1589 | P1512-C1580 HydrophobicContact CB-CB 4.49Å; P1512-C1580 HydrophobicContact CG-CB 3.9Å; C1518-C1580 HydrophobicContact CB-CB 4.09Å; C1518-C1580 WeakPolarHBondContact CB-SG 3.39Å; C1518-C1580 WeakPolarHBondContact SG-CB 3.32Å; C1518-C1580 CovalentContact SG-SG 2.04Å; C1518-C1580 PolarHBondContact SG-SG 2.99Å; C1580-R1582 PolarHBondContact O-N 2.95Å; C1580-V1587 PolarHBondContact N-O 3.43Å; C1580-V1587 PolarHBondContact O-N 3.13Å; C1580-Y1589 HydrophobicContact CB-CD2 3.81Å; C1580-Y1589 HydrophobicContact CB-CE2 4.06Å |
| 1581 | L | 91.5 | Very high | 89.1 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.209 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 117 | 177.1 | -171.1 | 72.5 | 0 | 0 | 0 | 110.3 | L1318 P1517 F1586 | L1318-L1581 HydrophobicContact CD1-CD2 3.83Å; P1517-L1581 HydrophobicContact CG-CB 4.11Å; P1517-L1581 PolarHBondContact O-N 3.31Å; L1581-F1586 HydrophobicContact CB-CD1 4.24Å; L1581-F1586 HydrophobicContact CB-CE1 3.96Å; L1581-F1586 HydrophobicContact CB-CZ 4.33Å; L1581-F1586 HydrophobicContact CD1-CD1 4.26Å; L1581-F1586 HydrophobicContact CD1-CD2 3.79Å; L1581-F1586 HydrophobicContact CD1-CE1 4.12Å; L1581-F1586 HydrophobicContact CD1-CE2 3.65Å; L1581-F1586 HydrophobicContact CD1-CG 4.12Å; L1581-F1586 HydrophobicContact CD1-CZ 3.82Å |
| 1582 | R | 85.6 | Confident | 90.3 | Very high | 122 Ų | 122 | 23.9 Ų | 23.9 | 46% | 0.46 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.7 | 174.1 | -177.9 | 179.5 | 177.1 | -129.2 | -6.6 | 108.8 | E1509 C1580 N1584 T1585 V1587 | E1509-R1582 VanDerWaalsContact CD-NH1 3.32Å; E1509-R1582 VanDerWaalsContact OE1-CD 3.24Å; E1509-R1582 WeakPolarHBondContact OE1-CD 3.43Å; E1509-R1582 IonicContact OE1-CZ 3.65Å; E1509-R1582 IonicContact OE1-NE 2.85Å; E1509-R1582 PolarHBondContact OE1-NE 2.84Å; E1509-R1582 IonicContact OE1-NH1 2.96Å; E1509-R1582 PolarHBondContact OE1-NH1 3.21Å; E1509-R1582 IonicContact OE1-NH2 2.88Å; E1509-R1582 IonicContact OE2-NH1 2.64Å; E1509-R1582 PolarHBondContact OE2-NH1 2.8Å; C1580-R1582 PolarHBondContact O-N 2.95Å; R1582-N1584 VanDerWaalsContact C-N 3.26Å; R1582-N1584 PolarHBondContact O-N 2.8Å; R1582-T1585 PolarHBondContact N-O 2.79Å; R1582-T1585 WeakPolarHBondContact O-CA 3.41Å; R1582-T1585 WeakPolarHBondContact O-CB 3.46Å; R1582-T1585 PolarHBondContact O-N 2.84Å; R1582-V1587 HydrophobicContact CB-CG2 4.47Å |
| 1583 | N | 82.2 | Confident | 91.4 | Very high | 143 Ų | 143 | 23.8 Ų | 23.8 | 77% | 0.765 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46.6 | -179.3 | -61.8 | -1.7 | 0 | 0 | 0 | 113.2 | T1585 | N1583-T1585 PolarHBondContact O-N 2.96Š|
| 1584 | N | 82.4 | Confident | 91.4 | Very high | 111 Ų | 111 | 26 Ų | 26 | 59% | 0.594 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18.4 | -176.8 | -163.4 | 54 | 0 | 0 | 0 | 115.4 | R1582 | R1582-N1584 VanDerWaalsContact C-N 3.26Å; R1582-N1584 PolarHBondContact O-N 2.8Å |
| 1585 | T | 89.7 | Confident | 90.9 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.1 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 110 | K1311 C1503 R1582 N1583 | K1311-T1585 WeakPolarHBondContact CE-OG1 3.23Å; K1311-T1585 HydrophobicContact CG-CG2 4.36Å; C1503-T1585 WeakPolarHBondContact SG-CG2 3.35Å; R1582-T1585 PolarHBondContact N-O 2.79Å; R1582-T1585 WeakPolarHBondContact O-CA 3.41Å; R1582-T1585 WeakPolarHBondContact O-CB 3.46Å; R1582-T1585 PolarHBondContact O-N 2.84Å; N1583-T1585 PolarHBondContact O-N 2.96Å |
| 1586 | F | 94.9 | Very high | 90 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 126.3 | 175.7 | -74.4 | -83.7 | 0 | 0 | 0 | 111.5 | G1310 P1312 P1316 L1318 W1341 V1502 C1503 L1519 V1579 L1581 | G1310-F1586 WeakPolarHBondContact CA-O 3.38Å; G1310-F1586 WeakPolarHBondContact O-CB 3.21Å; G1310-F1586 PolarHBondContact O-N 2.04Å; P1312-F1586 HydrophobicContact CG-CD2 4.06Å; P1312-F1586 HydrophobicContact CG-CE2 4.07Å; P1316-F1586 HydrophobicContact CB-CZ 4.15Å; P1316-F1586 HydrophobicContact CG-CE2 3.77Å; P1316-F1586 HydrophobicContact CG-CZ 3.7Å; L1318-F1586 HydrophobicContact CD2-CE1 4.37Å; L1318-F1586 HydrophobicContact CD2-CZ 4.18Å; W1341-F1586 HydrophobicContact CH2-CB 3.64Å; W1341-F1586 AromaticContact CH2-CD2 3.68Å; W1341-F1586 HydrophobicContact CH2-CD2 3.68Å; W1341-F1586 AromaticContact CH2-CG 3.77Å; W1341-F1586 HydrophobicContact CH2-CG 3.77Å; W1341-F1586 HydrophobicContact CZ2-CB 3.98Å; W1341-F1586 HydrophobicContact CZ2-CD2 4.29Å; W1341-F1586 HydrophobicContact CZ2-CG 4.05Å; W1341-F1586 HydrophobicContact CZ3-CB 4.33Å; V1502-F1586 WeakPolarHBondContact CG2-O 3.37Å; C1503-F1586 PolarHBondContact N-O 2.95Å; L1519-F1586 HydrophobicContact CD1-CE1 3.97Å; L1519-F1586 HydrophobicContact CD1-CZ 4.25Å; L1519-F1586 HydrophobicContact CG-CE1 4.49Å; V1579-F1586 HydrophobicContact CB-CB 4.4Å; V1579-F1586 HydrophobicContact CB-CD1 4.17Å; V1579-F1586 HydrophobicContact CG2-CD1 3.81Å; V1579-F1586 HydrophobicContact CG2-CE1 4.39Å; L1581-F1586 HydrophobicContact CB-CD1 4.24Å; L1581-F1586 HydrophobicContact CB-CE1 3.96Å; L1581-F1586 HydrophobicContact CB-CZ 4.33Å; L1581-F1586 HydrophobicContact CD1-CD1 4.26Å; L1581-F1586 HydrophobicContact CD1-CD2 3.79Å; L1581-F1586 HydrophobicContact CD1-CE1 4.12Å; L1581-F1586 HydrophobicContact CD1-CE2 3.65Å; L1581-F1586 HydrophobicContact CD1-CG 4.12Å; L1581-F1586 HydrophobicContact CD1-CZ 3.82Å |
| 1587 | V | 95.3 | Very high | 88.7 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.9 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | C1503 P1505 V1579 C1580 R1582 Y1589 | C1503-V1587 HydrophobicContact CB-CG2 4.17Å; C1503-V1587 WeakPolarHBondContact O-CA 3.42Å; P1505-V1587 HydrophobicContact CB-CG1 3.74Å; P1505-V1587 HydrophobicContact CG-CG1 4.4Å; V1579-V1587 CarbonylContact C-O 3.59Å; V1579-V1587 WeakPolarHBondContact CA-O 3.36Å; C1580-V1587 PolarHBondContact N-O 3.43Å; C1580-V1587 PolarHBondContact O-N 3.13Å; R1582-V1587 HydrophobicContact CB-CG2 4.47Å; V1587-Y1589 HydrophobicContact CB-CD2 4.29Å; V1587-Y1589 HydrophobicContact CB-CE2 3.74Å; V1587-Y1589 HydrophobicContact CG1-CD2 4.24Å; V1587-Y1589 HydrophobicContact CG1-CE2 3.74Å; V1587-Y1589 WeakPolarHBondContact O-CD2 3.48Å |
| 1588 | I | 96.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112 | 179.5 | -168.6 | 168.8 | 0 | 0 | 0 | 111.3 | L1373 V1502 C1503 L1504 P1505 P1577 V1579 | L1373-I1588 HydrophobicContact CD2-CD1 4.2Å; V1502-I1588 HydrophobicContact CG1-CB 3.8Å; V1502-I1588 HydrophobicContact CG1-CD1 4.21Å; V1502-I1588 HydrophobicContact CG1-CG2 3.75Å; V1502-I1588 HydrophobicContact CG2-CB 4.01Å; C1503-I1588 PolarHBondContact O-N 2.91Å; L1504-I1588 HydrophobicContact CD2-CG2 3.95Å; P1505-I1588 VanDerWaalsContact CD-O 3.26Å; P1505-I1588 WeakPolarHBondContact CD-O 3.33Å; P1577-I1588 HydrophobicContact CB-CD1 3.57Å; P1577-I1588 HydrophobicContact CB-CG1 4.07Å; V1579-I1588 HydrophobicContact CG1-CB 4.44Å |
| 1589 | Y | 95.1 | Very high | 84.6 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -26.2 | -179.8 | -79.9 | -83.9 | 0 | 0 | 0 | 113.4 | P1505 E1509 L1511 P1512 I1558 L1578 C1580 V1587 V1612 T1613 | P1505-Y1589 HydrophobicContact CB-CD1 4.4Å; P1505-Y1589 HydrophobicContact CB-CE1 3.97Å; E1509-Y1589 PolarHBondContact OE1-OH 2.84Å; L1511-Y1589 HydrophobicContact CD2-CD1 3.85Å; P1512-Y1589 HydrophobicContact CG-CD1 4.38Å; P1512-Y1589 HydrophobicContact CG-CD2 3.81Å; P1512-Y1589 HydrophobicContact CG-CE1 4.04Å; P1512-Y1589 HydrophobicContact CG-CE2 3.41Å; P1512-Y1589 VanDerWaalsContact CG-CE2 3.41Å; P1512-Y1589 HydrophobicContact CG-CG 4.25Å; I1558-Y1589 WeakPolarHBondContact CD1-O 3.19Å; L1578-Y1589 PolarHBondContact O-N 2.84Å; C1580-Y1589 HydrophobicContact CB-CD2 3.81Å; C1580-Y1589 HydrophobicContact CB-CE2 4.06Å; V1587-Y1589 HydrophobicContact CB-CD2 4.29Å; V1587-Y1589 HydrophobicContact CB-CE2 3.74Å; V1587-Y1589 HydrophobicContact CG1-CD2 4.24Å; V1587-Y1589 HydrophobicContact CG1-CE2 3.74Å; V1587-Y1589 WeakPolarHBondContact O-CD2 3.48Å; Y1589-V1612 WeakPolarHBondContact O-CB 3.21Å; Y1589-V1612 WeakPolarHBondContact O-CG2 3.4Å; Y1589-V1612 PolarHBondContact O-N 3.11Å; Y1589-T1613 HydrophobicContact CD1-CG2 4.12Å; Y1589-T1613 HydrophobicContact CE1-CG2 4.15Å |
| 1590 | G | 93.7 | Very high | 82 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 150.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1578 T1610 | L1578-G1590 PolarHBondContact N-O 2.81Å; L1578-G1590 PolarHBondContact O-N 2.79Å; G1590-T1610 WeakPolarHBondContact CA-O 3.47Å |
| 1591 | V | 95.8 | Very high | 79.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | 167.1 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | L1373 T1374 A1375 S1593 F1609 T1610 V1612 | L1373-V1591 HydrophobicContact CD1-CG2 4.24Å; L1373-V1591 HydrophobicContact CD2-CG2 3.81Å; L1373-V1591 HydrophobicContact CG-CG2 3.71Å; T1374-V1591 VanDerWaalsContact C-CG1 3.45Å; T1374-V1591 WeakPolarHBondContact O-CG1 3.05Å; A1375-V1591 HydrophobicContact CB-CG1 4.11Å; V1591-S1593 PolarHBondContact O-N 2.82Å; V1591-F1609 CarbonylContact O-C 3.57Å; V1591-F1609 WeakPolarHBondContact O-CA 3.44Å; V1591-F1609 WeakPolarHBondContact O-CB 3.34Å; V1591-T1610 PolarHBondContact N-O 2.9Å; V1591-T1610 PolarHBondContact O-N 2.84Å; V1591-V1612 HydrophobicContact CG2-CG2 4.06Å |
| 1592 | L | 93.4 | Very high | 77.9 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 117.7 | -174.3 | 179.9 | 67.4 | 0 | 0 | 0 | 111.6 | A1569 D1573 G1575 G1576 Q1607 F1609 | A1569-L1592 HydrophobicContact CB-CD1 4.39Å; A1569-L1592 HydrophobicContact CB-CD2 3.32Å; D1573-L1592 HydrophobicContact CB-CD2 3.86Å; G1575-L1592 PolarHBondContact N-O 2.72Å; G1576-L1592 WeakPolarHBondContact O-CB 3.04Å; G1576-L1592 PolarHBondContact O-N 2.74Å; L1592-Q1607 HydrophobicContact CD1-CB 4.1Å; L1592-Q1607 HydrophobicContact CD1-CG 4.19Å; L1592-F1609 VanDerWaalsContact CA-CD1 3.45Å; L1592-F1609 HydrophobicContact CB-CD1 3.88Å; L1592-F1609 HydrophobicContact CB-CE1 3.67Å; L1592-F1609 HydrophobicContact CD1-CD1 4.15Å; L1592-F1609 HydrophobicContact CD1-CE1 3.64Å; L1592-F1609 HydrophobicContact CD1-CE2 4.15Å; L1592-F1609 HydrophobicContact CD1-CZ 3.63Å; L1592-F1609 HydrophobicContact CG-CE1 4.22Å |
| 1593 | S | 88.5 | Confident | 76.3 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -73.1 | 178.5 | 179 | 0 | 0 | 0 | 0 | 111.3 | H1377 D1483 V1591 A1608 | H1377-S1593 PolarHBondContact CE1-O 3.49Å; D1483-S1593 WeakPolarHBondContact OD2-CA 3.15Å; D1483-S1593 WeakPolarHBondContact OD2-CB 3.31Å; D1483-S1593 PolarHBondContact OD2-OG 3.03Å; V1591-S1593 PolarHBondContact O-N 2.82Å; S1593-A1608 PolarHBondContact N-O 2.99Å; S1593-A1608 VanDerWaalsContact N-O 3.1Å |
| 1594 | F | 84.1 | Confident | 75.3 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.8 | -177.6 | 64.6 | -93.6 | 0 | 0 | 0 | 113.8 | A1480 F1551 M1557 F1596 A1608 | A1480-F1594 HydrophobicContact CB-CD1 4.03Å; A1480-F1594 HydrophobicContact CB-CE1 3.75Å; F1551-F1594 HydrophobicContact CB-CZ 4.18Å; M1557-F1594 HydrophobicContact CE-CE1 3.89Å; M1557-F1594 HydrophobicContact CE-CZ 4.38Å; M1557-F1594 HydrophobicContact SD-CE1 3.92Å; M1557-F1594 HydrophobicContact SD-CZ 4Å; F1594-F1596 AromaticContact CD2-CD1 3.85Å; F1594-F1596 HydrophobicContact CD2-CD1 3.85Å; F1594-F1596 AromaticContact CE2-CD1 3.61Å; F1594-F1596 HydrophobicContact CE2-CD1 3.61Å; F1594-F1596 HydrophobicContact CE2-CE1 4.01Å; F1594-A1608 HydrophobicContact CD1-CB 4.06Å; F1594-A1608 HydrophobicContact CD2-CB 4.04Å; F1594-A1608 HydrophobicContact CE1-CB 3.72Å; F1594-A1608 HydrophobicContact CE2-CB 3.71Å; F1594-A1608 HydrophobicContact CG-CB 4.2Å; F1594-A1608 HydrophobicContact CZ-CB 3.54Å; F1594-A1608 PolarHBondContact N-O 3.48Å; F1594-A1608 PolarHBondContact O-N 3.46Å |
| 1595 | G | 75.8 | Confident | 74.6 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 56% | 0.557 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 147 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1606 | G1595-R1606 WeakPolarHBondContact CA-O 3.42Å |
| 1596 | F | 71.2 | Confident | 74.1 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 162 | -178.7 | 59.1 | -83.6 | 0 | 0 | 0 | 112.2 | V1547 N1549 F1594 E1598 R1606 A1608 | V1547-F1596 HydrophobicContact CG1-CE2 3.59Å; V1547-F1596 HydrophobicContact CG1-CZ 3.55Å; N1549-F1596 HydrophobicContact CB-CD2 4.01Å; N1549-F1596 HydrophobicContact CB-CE2 3.86Å; N1549-F1596 HydrophobicContact CB-CZ 4.31Å; N1549-F1596 WeakPolarHBondContact ND2-CD1 3.3Å; N1549-F1596 WeakPolarHBondContact ND2-CD2 3.46Å; N1549-F1596 WeakPolarHBondContact ND2-CG 3.3Å; F1594-F1596 AromaticContact CD2-CD1 3.85Å; F1594-F1596 HydrophobicContact CD2-CD1 3.85Å; F1594-F1596 AromaticContact CE2-CD1 3.61Å; F1594-F1596 HydrophobicContact CE2-CD1 3.61Å; F1594-F1596 HydrophobicContact CE2-CE1 4.01Å; F1596-E1598 WeakPolarHBondContact CE2-OE2 3.43Å; F1596-R1606 HydrophobicContact CD2-CB 4.1Å; F1596-R1606 HydrophobicContact CE1-CB 4.16Å; F1596-R1606 HydrophobicContact CE2-CB 3.68Å; F1596-R1606 HydrophobicContact CE2-CG 4.39Å; F1596-R1606 HydrophobicContact CZ-CB 3.7Å; F1596-R1606 PolarHBondContact N-O 2.84Å; F1596-R1606 PolarHBondContact O-N 2.97Å; F1596-R1606 VanDerWaalsContact O-O 3.1Å; F1596-A1608 HydrophobicContact CE1-CB 4.13Å |
| 1597 | K | 65.1 | Low | 73.7 | Confident | 170 Ų | 170 | 47.4 Ų | 47.4 | 74% | 0.739 | 27% | 0.27 | S | S | * | . | trans | -110.5 | 134.4 | 176.1 | -69.4 | -175.8 | 177.1 | -179.7 | 0 | 109.7 | ||||
| 1598 | E | 57.4 | Low | 73.4 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -129.6 | 131.3 | 178 | -159.2 | 170.6 | 156.2 | 0 | 0 | 107.2 | V1547 S1548 F1596 R1606 | V1547-E1598 WeakPolarHBondContact CG1-OE2 3.47Å; S1548-E1598 WeakPolarHBondContact CB-OE1 3.43Å; S1548-E1598 PolarHBondContact N-OE1 3.25Å; S1548-E1598 PolarHBondContact OG-OE1 3.33Å; F1596-E1598 WeakPolarHBondContact CE2-OE2 3.43Å; E1598-R1606 IonicContact OE1-CZ 3.46Å; E1598-R1606 IonicContact OE1-NH1 3.12Å; E1598-R1606 PolarHBondContact OE1-NH1 2.93Å; E1598-R1606 VanDerWaalsContact OE1-NH1 3.16Å; E1598-R1606 WeakPolarHBondContact OE2-CD 3.33Å; E1598-R1606 IonicContact OE2-CZ 3.95Å; E1598-R1606 IonicContact OE2-NE 3.14Å; E1598-R1606 IonicContact OE2-NH1 3.81Å; E1598-R1606 PolarHBondContact OE2-NH1 2.93Å | ||
| 1599 | S | 46.7 | Very low | 73.2 | Confident | 132 Ų | 132 | 46.9 Ų | 46.9 | 92% | 0.923 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -83.7 | -13.8 | -167.2 | 45.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1600 | C | 41.6 | Very low | 73.1 | Confident | 125 Ų | 125 | 47 Ų | 47 | 85% | 0.845 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -114.9 | 26.7 | -162.6 | -137.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1601 | S | 46.6 | Very low | 73.1 | Confident | 33 Ų | 33 | 49 Ų | 49 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | trans | -135.7 | 147 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 112.5 | L1603 R1606 | S1601-L1603 VanDerWaalsContact C-N 3.28Å; S1601-L1603 PolarHBondContact O-N 2.9Å; S1601-L1603 PolarHBondContact OG-N 2.82Å; S1601-R1606 VanDerWaalsContact CB-NH2 3.28Å; S1601-R1606 PolarHBondContact OG-NH2 3.47Å | ||
| 1602 | D | 53.2 | Low | 73 | Confident | 154 Ų | 154 | 49 Ų | 49 | 82% | 0.824 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -63.5 | -34.3 | 173.1 | -71.2 | -36.1 | 0 | 0 | 0 | 112.6 | ||
| 1603 | L | 53.5 | Low | 72.9 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -81.7 | 130.3 | 175.1 | -64.1 | 174.2 | 0 | 0 | 0 | 110.3 | I1543 S1562 K1563 S1601 | I1543-L1603 HydrophobicContact CD1-CB 4.18Å; I1543-L1603 HydrophobicContact CD1-CD1 3.78Å; I1543-L1603 HydrophobicContact CG1-CD1 3.68Å; S1562-L1603 WeakPolarHBondContact O-CA 3.48Å; K1563-L1603 HydrophobicContact CB-CD2 4.38Å; K1563-L1603 HydrophobicContact CG-CD2 3.57Å; S1601-L1603 VanDerWaalsContact C-N 3.28Å; S1601-L1603 PolarHBondContact O-N 2.9Å; S1601-L1603 PolarHBondContact OG-N 2.82Å |
| 1604 | K | 61 | Low | 73 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 40% | 0.404 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 158.7 | -173 | -64.1 | 178.9 | -174.1 | 179.5 | 0 | 111 | S1562 K1565 | S1562-K1604 PolarHBondContact N-O 3.4Å; S1562-K1604 PolarHBondContact O-N 3.17Å; K1565-K1604 HydrophobicContact CG-CD 3.96Å |
| 1605 | D | 66.6 | Low | 73.4 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 19% | 0.193 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 59.7 | -177.6 | -56.2 | -76 | 0 | 0 | 0 | 112.5 | N1566 Q1607 | N1566-D1605 WeakPolarHBondContact CA-OD2 3.36Å; N1566-D1605 PolarHBondContact N-OD2 3.25Å; D1605-Q1607 PolarHBondContact O-NE2 3.06Å |
| 1606 | R | 79 | Confident | 74.2 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 142.5 | -178.8 | -72 | -178.2 | 173.7 | -154.6 | -11.2 | 111.3 | I1543 T1560 G1595 F1596 E1598 S1601 | I1543-R1606 HydrophobicContact CD1-CG 3.93Å; T1560-R1606 VanDerWaalsContact O-CA 3.3Å; T1560-R1606 WeakPolarHBondContact O-CA 3.43Å; G1595-R1606 WeakPolarHBondContact CA-O 3.42Å; F1596-R1606 HydrophobicContact CD2-CB 4.1Å; F1596-R1606 HydrophobicContact CE1-CB 4.16Å; F1596-R1606 HydrophobicContact CE2-CB 3.68Å; F1596-R1606 HydrophobicContact CE2-CG 4.39Å; F1596-R1606 HydrophobicContact CZ-CB 3.7Å; F1596-R1606 PolarHBondContact N-O 2.84Å; F1596-R1606 PolarHBondContact O-N 2.97Å; F1596-R1606 VanDerWaalsContact O-O 3.1Å; E1598-R1606 IonicContact OE1-CZ 3.46Å; E1598-R1606 IonicContact OE1-NH1 3.12Å; E1598-R1606 PolarHBondContact OE1-NH1 2.93Å; E1598-R1606 VanDerWaalsContact OE1-NH1 3.16Å; E1598-R1606 WeakPolarHBondContact OE2-CD 3.33Å; E1598-R1606 IonicContact OE2-CZ 3.95Å; E1598-R1606 IonicContact OE2-NE 3.14Å; E1598-R1606 IonicContact OE2-NH1 3.81Å; E1598-R1606 PolarHBondContact OE2-NH1 2.93Å; S1601-R1606 VanDerWaalsContact CB-NH2 3.28Å; S1601-R1606 PolarHBondContact OG-NH2 3.47Å |
| 1607 | Q | 86.5 | Confident | 75 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.6 | 178.5 | -76.8 | 141.6 | 89.9 | 0 | 0 | 110.2 | C1559 T1560 A1569 L1592 D1605 F1609 | C1559-Q1607 WeakPolarHBondContact CA-O 3.33Å; T1560-Q1607 PolarHBondContact N-O 3.15Å; T1560-Q1607 PolarHBondContact O-N 3.01Å; A1569-Q1607 VanDerWaalsContact CB-OE1 3.25Å; L1592-Q1607 HydrophobicContact CD1-CB 4.1Å; L1592-Q1607 HydrophobicContact CD1-CG 4.19Å; D1605-Q1607 PolarHBondContact O-NE2 3.06Å; Q1607-F1609 HydrophobicContact CB-CD2 4.3Å; Q1607-F1609 HydrophobicContact CB-CE2 3.54Å; Q1607-F1609 HydrophobicContact CB-CZ 4.14Å |
| 1608 | A | 89.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1552 M1557 I1558 S1593 F1594 F1596 | F1552-A1608 HydrophobicContact CD2-CB 4.32Å; M1557-A1608 HydrophobicContact SD-CB 4.28Å; I1558-A1608 WeakPolarHBondContact O-CA 3.41Å; S1593-A1608 PolarHBondContact N-O 2.99Å; S1593-A1608 VanDerWaalsContact N-O 3.1Å; F1594-A1608 HydrophobicContact CD1-CB 4.06Å; F1594-A1608 HydrophobicContact CD2-CB 4.04Å; F1594-A1608 HydrophobicContact CE1-CB 3.72Å; F1594-A1608 HydrophobicContact CE2-CB 3.71Å; F1594-A1608 HydrophobicContact CG-CB 4.2Å; F1594-A1608 HydrophobicContact CZ-CB 3.54Å; F1594-A1608 PolarHBondContact N-O 3.48Å; F1594-A1608 PolarHBondContact O-N 3.46Å; F1596-A1608 HydrophobicContact CE1-CB 4.13Å |
| 1609 | F | 93 | Very high | 78 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.5 | 173.3 | -62 | -104.7 | 0 | 0 | 0 | 109.4 | V1520 M1557 I1558 T1560 L1578 V1591 L1592 Q1607 K1611 | V1520-F1609 HydrophobicContact CG1-CE1 4.33Å; V1520-F1609 HydrophobicContact CG1-CZ 4.27Å; V1520-F1609 HydrophobicContact CG2-CE1 4.03Å; V1520-F1609 HydrophobicContact CG2-CZ 3.64Å; M1557-F1609 CarbonylContact C-O 3.55Å; M1557-F1609 VanDerWaalsContact CA-O 3.27Å; M1557-F1609 WeakPolarHBondContact CA-O 3.5Å; I1558-F1609 HydrophobicContact CB-CB 4.43Å; I1558-F1609 PolarHBondContact N-O 3.01Å; I1558-F1609 PolarHBondContact O-N 3.13Å; T1560-F1609 HydrophobicContact CG2-CD2 3.9Å; T1560-F1609 HydrophobicContact CG2-CE2 3.77Å; T1560-F1609 WeakPolarHBondContact OG1-CE2 3.26Å; L1578-F1609 HydrophobicContact CB-CD1 3.58Å; L1578-F1609 HydrophobicContact CB-CE1 3.71Å; L1578-F1609 HydrophobicContact CB-CG 4.14Å; L1578-F1609 HydrophobicContact CB-CZ 4.35Å; L1578-F1609 HydrophobicContact CD1-CZ 4.4Å; L1578-F1609 HydrophobicContact CD2-CD1 4.42Å; L1578-F1609 HydrophobicContact CD2-CD2 4.19Å; L1578-F1609 HydrophobicContact CD2-CG 4.14Å; V1591-F1609 CarbonylContact O-C 3.57Å; V1591-F1609 WeakPolarHBondContact O-CA 3.44Å; V1591-F1609 WeakPolarHBondContact O-CB 3.34Å; L1592-F1609 VanDerWaalsContact CA-CD1 3.45Å; L1592-F1609 HydrophobicContact CB-CD1 3.88Å; L1592-F1609 HydrophobicContact CB-CE1 3.67Å; L1592-F1609 HydrophobicContact CD1-CD1 4.15Å; L1592-F1609 HydrophobicContact CD1-CE1 3.64Å; L1592-F1609 HydrophobicContact CD1-CE2 4.15Å; L1592-F1609 HydrophobicContact CD1-CZ 3.63Å; L1592-F1609 HydrophobicContact CG-CE1 4.22Å; Q1607-F1609 HydrophobicContact CB-CD2 4.3Å; Q1607-F1609 HydrophobicContact CB-CE2 3.54Å; Q1607-F1609 HydrophobicContact CB-CZ 4.14Å; F1609-K1611 PolarHBondContact O-N 2.8Å |
| 1610 | T | 93.2 | Very high | 80 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.6 | 173.1 | -49.3 | 0 | 0 | 0 | 0 | 109.3 | D1483 I1484 G1590 V1591 V1612 Y1615 | D1483-T1610 WeakPolarHBondContact O-CB 3.32Å; D1483-T1610 PolarHBondContact O-OG1 2.89Å; I1484-T1610 HydrophobicContact CB-CG2 4.02Å; G1590-T1610 WeakPolarHBondContact CA-O 3.47Å; V1591-T1610 PolarHBondContact N-O 2.9Å; V1591-T1610 PolarHBondContact O-N 2.84Å; T1610-V1612 PolarHBondContact O-N 3.32Å; T1610-V1612 VanDerWaalsContact O-N 3.12Å; T1610-Y1615 HydrophobicContact CG2-CD2 3.81Å; T1610-Y1615 HydrophobicContact CG2-CE2 3.4Å |
| 1611 | K | 92.8 | Very high | 82.3 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 95.3 | -166.7 | -173.9 | 167.3 | -176.5 | 166.4 | 0 | 111.2 | E1554 L1556 I1558 F1609 T1613 R1614 Y1615 | E1554-K1611 PolarHBondContact O-NZ 3.24Å; E1554-K1611 VanDerWaalsContact O-NZ 3.12Å; L1556-K1611 WeakPolarHBondContact O-CB 3.32Å; L1556-K1611 PolarHBondContact O-N 3.2Å; I1558-K1611 HydrophobicContact CD1-CB 4.36Å; I1558-K1611 HydrophobicContact CD1-CG 4.12Å; I1558-K1611 HydrophobicContact CG1-CB 3.9Å; I1558-K1611 HydrophobicContact CG1-CD 4.16Å; I1558-K1611 HydrophobicContact CG1-CG 3.76Å; F1609-K1611 PolarHBondContact O-N 2.8Å; K1611-T1613 PolarHBondContact O-N 3.5Å; K1611-T1613 VanDerWaalsContact O-N 3.11Å; K1611-R1614 HydrophobicContact CB-CB 4.32Å; K1611-R1614 HydrophobicContact CG-CB 4.34Å; K1611-R1614 VanDerWaalsContact O-CB 3.32Å; K1611-R1614 WeakPolarHBondContact O-CB 3.47Å; K1611-R1614 PolarHBondContact O-N 3.4Å; K1611-Y1615 WeakPolarHBondContact O-CD2 3.41Å |
| 1612 | V | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -53.2 | -40 | -171.8 | 175.5 | 0 | 0 | 0 | 0 | 112.3 | L1373 L1504 P1505 Y1589 V1591 T1610 R1614 Y1615 L1616 L1619 | L1373-V1612 HydrophobicContact CD2-CG2 4.19Å; L1504-V1612 HydrophobicContact CD2-CG1 4.24Å; P1505-V1612 HydrophobicContact CG-CG1 4.06Å; Y1589-V1612 WeakPolarHBondContact O-CB 3.21Å; Y1589-V1612 WeakPolarHBondContact O-CG2 3.4Å; Y1589-V1612 PolarHBondContact O-N 3.11Å; V1591-V1612 HydrophobicContact CG2-CG2 4.06Å; T1610-V1612 PolarHBondContact O-N 3.32Å; T1610-V1612 VanDerWaalsContact O-N 3.12Å; V1612-R1614 PolarHBondContact O-N 3.31Å; V1612-R1614 VanDerWaalsContact O-N 3.12Å; V1612-Y1615 CarbonylContact O-C 3.59Å; V1612-Y1615 PolarHBondContact O-N 2.94Å; V1612-L1616 HydrophobicContact CG1-CD2 4.39Å; V1612-L1616 PolarHBondContact O-N 3.35Å; V1612-L1619 HydrophobicContact CG1-CD1 3.95Å |
| 1613 | T | 91.6 | Very high | 86.1 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -57.6 | -26.2 | 176.8 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | P1505 E1509 Y1589 K1611 | P1505-T1613 HydrophobicContact CB-CG2 3.65Å; P1505-T1613 HydrophobicContact CG-CG2 3.5Å; P1505-T1613 VanDerWaalsContact CG-CG2 3.5Å; E1509-T1613 HydrophobicContact CB-CG2 4.45Å; Y1589-T1613 HydrophobicContact CD1-CG2 4.12Å; Y1589-T1613 HydrophobicContact CE1-CG2 4.15Å; K1611-T1613 PolarHBondContact O-N 3.5Å; K1611-T1613 VanDerWaalsContact O-N 3.11Å |
| 1614 | R | 90.4 | Very high | 87.7 | Confident | 135 Ų | 135 | 39 Ų | 39 | 51% | 0.509 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -79.8 | -25.8 | 176.6 | 179.6 | 60.6 | -170 | 93.5 | -2.9 | 113.1 | L1556 K1611 V1612 | L1556-R1614 HydrophobicContact CD2-CG 3.85Å; K1611-R1614 HydrophobicContact CB-CB 4.32Å; K1611-R1614 HydrophobicContact CG-CB 4.34Å; K1611-R1614 VanDerWaalsContact O-CB 3.32Å; K1611-R1614 WeakPolarHBondContact O-CB 3.47Å; K1611-R1614 PolarHBondContact O-N 3.4Å; V1612-R1614 PolarHBondContact O-N 3.31Å; V1612-R1614 VanDerWaalsContact O-N 3.12Å |
| 1615 | Y | 91.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 41 Ų | 41 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -105.3 | 10.2 | -175.3 | -66.5 | -88.9 | 0 | 0 | 0 | 113.4 | E1482 I1484 T1610 K1611 V1612 S1617 W1618 L1619 | E1482-Y1615 WeakPolarHBondContact CA-OH 3.09Å; E1482-Y1615 HydrophobicContact CB-CE1 4.25Å; E1482-Y1615 HydrophobicContact CG-CE1 4.13Å; E1482-Y1615 PolarHBondContact N-OH 2.96Å; I1484-Y1615 HydrophobicContact CD1-CD2 4.38Å; I1484-Y1615 HydrophobicContact CD1-CG 4.03Å; I1484-Y1615 HydrophobicContact CG2-CD1 3.92Å; I1484-Y1615 HydrophobicContact CG2-CE1 4.2Å; I1484-Y1615 HydrophobicContact CG2-CG 4.26Å; T1610-Y1615 HydrophobicContact CG2-CD2 3.81Å; T1610-Y1615 HydrophobicContact CG2-CE2 3.4Å; K1611-Y1615 WeakPolarHBondContact O-CD2 3.41Å; V1612-Y1615 CarbonylContact O-C 3.59Å; V1612-Y1615 PolarHBondContact O-N 2.94Å; Y1615-S1617 VanDerWaalsContact C-N 3.27Å; Y1615-S1617 PolarHBondContact O-N 3.36Å; Y1615-W1618 HydrophobicContact CD1-CB 4.27Å; Y1615-W1618 HydrophobicContact CD1-CG 4.45Å; Y1615-W1618 CarbonylContact O-C 3.59Å; Y1615-W1618 WeakPolarHBondContact O-CB 3.48Å; Y1615-W1618 PolarHBondContact O-N 2.89Å; Y1615-W1618 VanDerWaalsContact O-N 3.09Å; Y1615-L1619 WeakPolarHBondContact O-CG 3.38Å; Y1615-L1619 PolarHBondContact O-N 3.17Å |
| 1616 | L | 92 | Very high | 89.8 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.6 | -34.9 | 179.2 | -71.7 | 167.5 | 0 | 0 | 0 | 113.5 | L1504 P1505 A1506 E1507 V1612 L1619 K1620 | L1504-L1616 HydrophobicContact CB-CD2 4.32Å; P1505-L1616 HydrophobicContact CG-CD1 4.41Å; P1505-L1616 HydrophobicContact CG-CD2 4.38Å; P1505-L1616 VanDerWaalsContact O-CD1 3.3Å; P1505-L1616 WeakPolarHBondContact O-CD1 3.47Å; A1506-L1616 WeakPolarHBondContact O-CD1 3.37Å; E1507-L1616 HydrophobicContact CB-CD1 4.32Å; E1507-L1616 HydrophobicContact CG-CD1 4.48Å; V1612-L1616 HydrophobicContact CG1-CD2 4.39Å; V1612-L1616 PolarHBondContact O-N 3.35Å; L1616-L1619 HydrophobicContact CD2-CD1 4.35Å; L1616-K1620 VanDerWaalsContact O-CG 3.29Å; L1616-K1620 WeakPolarHBondContact O-CG 3.29Å; L1616-K1620 PolarHBondContact O-N 3.38Å; L1616-K1620 VanDerWaalsContact O-N 3.1Å |
| 1617 | S | 89.8 | Confident | 89.6 | Confident | 54 Ų | 54 | 43 Ų | 43 | 38% | 0.378 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 172.5 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | Y1615 L1619 K1620 E1621 | Y1615-S1617 VanDerWaalsContact C-N 3.27Å; Y1615-S1617 PolarHBondContact O-N 3.36Å; S1617-L1619 VanDerWaalsContact C-N 3.33Å; S1617-L1619 PolarHBondContact O-N 2.71Å; S1617-K1620 WeakPolarHBondContact O-CB 3.45Å; S1617-K1620 PolarHBondContact O-N 3.1Å; S1617-E1621 PolarHBondContact O-N 3.42Å |
| 1618 | W | 92.2 | Very high | 88.3 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 16% | 0.163 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.3 | 178.7 | 92.3 | 0 | 0 | 0 | 111.8 | V1471 A1472 I1484 L1486 Y1615 K1620 E1621 A1622 | V1471-W1618 HydrophobicContact CG1-CH2 4.46Å; V1471-W1618 HydrophobicContact CG1-CZ2 3.92Å; A1472-W1618 VanDerWaalsContact C-CZ2 3.41Å; I1484-W1618 HydrophobicContact CB-CZ3 4.44Å; I1484-W1618 HydrophobicContact CD1-CE3 4.23Å; I1484-W1618 HydrophobicContact CD1-CZ3 4.17Å; I1484-W1618 HydrophobicContact CG1-CE3 4.43Å; I1484-W1618 HydrophobicContact CG1-CZ3 3.94Å; I1484-W1618 HydrophobicContact CG2-CD2 4.34Å; I1484-W1618 HydrophobicContact CG2-CE3 3.95Å; I1484-W1618 HydrophobicContact CG2-CH2 4.2Å; I1484-W1618 HydrophobicContact CG2-CZ3 3.87Å; L1486-W1618 HydrophobicContact CD1-CZ3 4.27Å; L1486-W1618 HydrophobicContact CG-CZ3 4.3Å; Y1615-W1618 HydrophobicContact CD1-CB 4.27Å; Y1615-W1618 HydrophobicContact CD1-CG 4.45Å; Y1615-W1618 CarbonylContact O-C 3.59Å; Y1615-W1618 WeakPolarHBondContact O-CB 3.48Å; Y1615-W1618 PolarHBondContact O-N 2.89Å; Y1615-W1618 VanDerWaalsContact O-N 3.09Å; W1618-K1620 PolarHBondContact O-N 2.85Å; W1618-E1621 PolarHBondContact O-N 2.86Å; W1618-A1622 HydrophobicContact CD2-CB 4.26Å; W1618-A1622 HydrophobicContact CE3-CB 4.32Å; W1618-A1622 HydrophobicContact CH2-CB 3.92Å; W1618-A1622 HydrophobicContact CZ2-CB 3.87Å; W1618-A1622 HydrophobicContact CZ3-CB 4.17Å; W1618-A1622 WeakPolarHBondContact O-CB 3.49Å; W1618-A1622 PolarHBondContact O-N 3.23Å |
| 1619 | L | 92.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.5 | -73.2 | 171.4 | 0 | 0 | 0 | 111.7 | L1373 I1484 L1486 L1504 V1612 Y1615 L1616 S1617 A1623 | L1373-L1619 HydrophobicContact CD1-CD2 3.66Å; I1484-L1619 HydrophobicContact CD1-CD2 4.18Å; I1484-L1619 HydrophobicContact CD1-CG 4.42Å; L1486-L1619 HydrophobicContact CD1-CD2 3.65Å; L1486-L1619 HydrophobicContact CD2-CD2 4.12Å; L1486-L1619 HydrophobicContact CG-CD2 3.83Å; L1504-L1619 HydrophobicContact CD2-CD1 4.26Å; V1612-L1619 HydrophobicContact CG1-CD1 3.95Å; Y1615-L1619 WeakPolarHBondContact O-CG 3.38Å; Y1615-L1619 PolarHBondContact O-N 3.17Å; L1616-L1619 HydrophobicContact CD2-CD1 4.35Å; S1617-L1619 VanDerWaalsContact C-N 3.33Å; S1617-L1619 PolarHBondContact O-N 2.71Å; L1619-A1623 WeakPolarHBondContact O-CB 3.45Å; L1619-A1623 PolarHBondContact O-N 2.84Å |
| 1620 | K | 89.8 | Confident | 88 | Confident | 93 Ų | 93 | 55.8 Ų | 55.8 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174.5 | -69.9 | 167.7 | -177.5 | 179.5 | 0 | 111.7 | Y1363 E1507 L1616 S1617 W1618 K1624 | Y1363-K1620 HydrophobicContact CE2-CG 4.19Å; Y1363-K1620 WeakPolarHBondContact OH-CA 2.99Å; E1507-K1620 IonicContact OE2-NZ 2.89Å; E1507-K1620 PolarHBondContact OE2-NZ 3.46Å; L1616-K1620 VanDerWaalsContact O-CG 3.29Å; L1616-K1620 WeakPolarHBondContact O-CG 3.29Å; L1616-K1620 PolarHBondContact O-N 3.38Å; L1616-K1620 VanDerWaalsContact O-N 3.1Å; S1617-K1620 WeakPolarHBondContact O-CB 3.45Å; S1617-K1620 PolarHBondContact O-N 3.1Å; W1618-K1620 PolarHBondContact O-N 2.85Å; K1620-K1624 VanDerWaalsContact O-CG 3.31Å; K1620-K1624 WeakPolarHBondContact O-CG 3.39Å; K1620-K1624 PolarHBondContact O-N 2.93Å; K1620-K1624 VanDerWaalsContact O-N 3.1Å |
| 1621 | E | 89.6 | Confident | 87.7 | Confident | 110 Ų | 110 | 58.7 Ų | 58.7 | 51% | 0.514 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70 | -44.3 | 178 | -73.8 | 175.4 | -156.2 | 0 | 0 | 112.6 | S1617 W1618 K1624 K1625 | S1617-E1621 PolarHBondContact O-N 3.42Å; W1618-E1621 PolarHBondContact O-N 2.86Å; E1621-K1624 WeakPolarHBondContact O-CB 3.41Å; E1621-K1624 PolarHBondContact O-N 3.37Å; E1621-K1625 PolarHBondContact O-N 3.35Å; E1621-K1625 WeakPolarHBondContact O-CB 3.44Å; E1621-K1625 WeakPolarHBondContact O-CG 3.45Å |
| 1622 | A | 90.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1471 L1486 W1618 K1624 K1625 L1626 | V1471-A1622 HydrophobicContact CG1-CB 3.77Å; L1486-A1622 HydrophobicContact CD1-CB 3.78Å; W1618-A1622 HydrophobicContact CD2-CB 4.26Å; W1618-A1622 HydrophobicContact CE3-CB 4.32Å; W1618-A1622 HydrophobicContact CH2-CB 3.92Å; W1618-A1622 HydrophobicContact CZ2-CB 3.87Å; W1618-A1622 HydrophobicContact CZ3-CB 4.17Å; W1618-A1622 WeakPolarHBondContact O-CB 3.49Å; W1618-A1622 PolarHBondContact O-N 3.23Å; A1622-K1624 VanDerWaalsContact C-N 3.33Å; A1622-K1624 PolarHBondContact O-N 3.24Å; A1622-K1625 PolarHBondContact O-N 3.46Å; A1622-L1626 WeakPolarHBondContact O-CB 3.4Å; A1622-L1626 VanDerWaalsContact O-CG 3.29Å; A1622-L1626 WeakPolarHBondContact O-CG 3.48Å; A1622-L1626 PolarHBondContact O-N 2.8Å |
| 1623 | A | 89.2 | Confident | 87 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1363 L1371 L1619 L1626 H1627 | Y1363-A1623 HydrophobicContact CD1-CB 4.37Å; Y1363-A1623 HydrophobicContact CE1-CB 3.85Å; Y1363-A1623 HydrophobicContact CE2-CB 4.05Å; L1371-A1623 HydrophobicContact CD1-CB 3.82Å; L1619-A1623 WeakPolarHBondContact O-CB 3.45Å; L1619-A1623 PolarHBondContact O-N 2.84Å; A1623-L1626 PolarHBondContact O-N 3.33Å; A1623-H1627 PolarHBondContact O-N 2.95Å; A1623-H1627 PolarHBondContact O-ND1 3Å; A1623-H1627 VanDerWaalsContact O-N 3.17Å |
| 1624 | K | 87.4 | Confident | 86.6 | Confident | 143 Ų | 143 | 66.3 Ų | 66.3 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.5 | -49.2 | 171.2 | -75.9 | 176.3 | 178.9 | -173.5 | 0 | 111.8 | K1620 E1621 A1622 L1626 H1627 T1628 | K1620-K1624 VanDerWaalsContact O-CG 3.31Å; K1620-K1624 WeakPolarHBondContact O-CG 3.39Å; K1620-K1624 PolarHBondContact O-N 2.93Å; K1620-K1624 VanDerWaalsContact O-N 3.1Å; E1621-K1624 WeakPolarHBondContact O-CB 3.41Å; E1621-K1624 PolarHBondContact O-N 3.37Å; A1622-K1624 VanDerWaalsContact C-N 3.33Å; A1622-K1624 PolarHBondContact O-N 3.24Å; K1624-L1626 PolarHBondContact O-N 2.97Å; K1624-H1627 WeakPolarHBondContact O-CA 3.49Å; K1624-H1627 PolarHBondContact O-N 3.21Å; K1624-T1628 PolarHBondContact O-N 3.01Å; K1624-T1628 PolarHBondContact O-OG1 2.71Å |
| 1625 | K | 84.3 | Confident | 86.4 | Confident | 135 Ų | 135 | 61.4 Ų | 61.4 | 59% | 0.587 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.7 | -18.6 | 177 | -74 | 179.3 | -178.7 | -179.7 | 0 | 114.6 | E1621 A1622 T1628 | E1621-K1625 PolarHBondContact O-N 3.35Å; E1621-K1625 WeakPolarHBondContact O-CB 3.44Å; E1621-K1625 WeakPolarHBondContact O-CG 3.45Å; A1622-K1625 PolarHBondContact O-N 3.46Å; K1625-T1628 WeakPolarHBondContact CA-OG1 3.34Å; K1625-T1628 VanDerWaalsContact O-OXT 3.14Å |
| 1626 | L | 85.9 | Confident | 86 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -92.8 | -15.1 | 172.2 | -72.7 | 167.4 | 0 | 0 | 0 | 112.3 | L1371 A1469 V1471 L1486 K1488 A1622 A1623 K1624 | L1371-L1626 HydrophobicContact CD2-CD1 4.25Å; A1469-L1626 HydrophobicContact CB-CD2 3.51Å; V1471-L1626 HydrophobicContact CB-CD1 4.41Å; V1471-L1626 HydrophobicContact CB-CD2 4.34Å; V1471-L1626 HydrophobicContact CB-CG 4.31Å; V1471-L1626 HydrophobicContact CG2-CD1 4.5Å; V1471-L1626 HydrophobicContact CG2-CD2 3.72Å; V1471-L1626 HydrophobicContact CG2-CG 3.87Å; L1486-L1626 HydrophobicContact CB-CD1 3.58Å; K1488-L1626 HydrophobicContact CB-CB 4.19Å; K1488-L1626 HydrophobicContact CB-CD1 4.35Å; K1488-L1626 HydrophobicContact CB-CD2 4.07Å; K1488-L1626 HydrophobicContact CB-CG 4.45Å; K1488-L1626 HydrophobicContact CD-CB 4.13Å; K1488-L1626 WeakPolarHBondContact CD-O 3.42Å; K1488-L1626 WeakPolarHBondContact CE-O 3.49Å; K1488-L1626 PolarHBondContact NZ-O 2.89Å; A1622-L1626 WeakPolarHBondContact O-CB 3.4Å; A1622-L1626 VanDerWaalsContact O-CG 3.29Å; A1622-L1626 WeakPolarHBondContact O-CG 3.48Å; A1622-L1626 PolarHBondContact O-N 2.8Å; A1623-L1626 PolarHBondContact O-N 3.33Å; K1624-L1626 PolarHBondContact O-N 2.97Å |
| 1627 | H | 74.9 | Confident | 85.5 | Confident | 87 Ų | 87 | 69.8 Ų | 69.8 | 40% | 0.403 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -93.6 | -29.9 | 175.5 | -81.8 | 68.5 | 0 | 0 | 0 | 113 | D1370 A1623 K1624 | D1370-H1627 IonicContact OD1-CE1 2.76Å; D1370-H1627 IonicContact OD2-CE1 3.74Å; A1623-H1627 PolarHBondContact O-N 2.95Å; A1623-H1627 PolarHBondContact O-ND1 3Å; A1623-H1627 VanDerWaalsContact O-N 3.17Å; K1624-H1627 WeakPolarHBondContact O-CA 3.49Å; K1624-H1627 PolarHBondContact O-N 3.21Å |
| 1628 | T | 59.6 | Low | 85.1 | Confident | 160 Ų | 160 | 71.3 Ų | 71.3 | 98% | 0.982 | 34% | 0.341 | S | S | * | . | trans | -81.1 | 0 | 164.4 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | K1624 K1625 | K1624-T1628 PolarHBondContact O-N 3.01Å; K1624-T1628 PolarHBondContact O-OG1 2.71Å; K1625-T1628 WeakPolarHBondContact CA-OG1 3.34Å; K1625-T1628 VanDerWaalsContact O-OXT 3.14Å |
Retrieved 1,628 of 1,628 residues in 681.8 ms
(Link to these results)