| 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 | 45.3 | Very low | 48 | Very low | 221 Ų | 221 | 132.5 Ų | 132.5 | 100% | 1.089 | 73% | 0.734 | S | S | * | * | 0 | -27.4 | 0 | -97.4 | 175.3 | 139.7 | 0 | 0 | 114 | L3 K4 | M1-L3 PolarHBondContact O-N 3.44Å; M1-K4 PolarHBondContact O-N 3.46Å | |||
| 2 | L | 46.7 | Very low | 47.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -64.6 | -27.8 | -177 | -115.9 | 77.9 | 0 | 0 | 0 | 116.1 | K4 | L2-K4 PolarHBondContact O-N 3.34Š|
| 3 | L | 49.6 | Very low | 47.5 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -75.8 | -16.7 | -178.5 | -102.9 | 87.4 | 0 | 0 | 0 | 114.9 | M1 | M1-L3 PolarHBondContact O-N 3.44Š|
| 4 | K | 48.6 | Very low | 47.5 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -87.1 | -14.7 | -177.7 | -76.8 | -169.5 | 174.4 | -174.1 | 0 | 114.2 | M1 L2 | M1-K4 PolarHBondContact O-N 3.46Å; L2-K4 PolarHBondContact O-N 3.34Å |
| 5 | L | 46.4 | Very low | 47.2 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -23.5 | 178.7 | -98.3 | 121.3 | 0 | 0 | 0 | 113.7 | S7 | L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.41Å |
| 6 | V | 53.5 | Low | 46.9 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.8 | -24.7 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | ||
| 7 | S | 50.9 | Low | 46.6 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -82 | -14 | -177.8 | -147.4 | 0 | 0 | 0 | 0 | 114.6 | L5 | L5-S7 VanDerWaalsContact C-N 3.29Å; L5-S7 PolarHBondContact O-N 3.41Å |
| 8 | C | 44.7 | Very low | 46.3 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 62% | 0.622 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -87.1 | -20 | 177.2 | -81.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 9 | L | 47.2 | Very low | 46.2 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -82.5 | -16.5 | 178.5 | -79.4 | 158.7 | 0 | 0 | 0 | 113.3 | ||
| 10 | A | 48 | Very low | 46.1 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86 | -13.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S13 | A10-S13 PolarHBondContact O-OG 3.43Š|
| 11 | V | 47.4 | Very low | 46 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -14.3 | -177 | -175.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 12 | L | 44.2 | Very low | 46.2 | Very low | 150 Ų | 150 | 123.2 Ų | 123.2 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -2.9 | 178.5 | -88.1 | 154.3 | 0 | 0 | 0 | 114.4 | ||
| 13 | S | 45 | Very low | 46.2 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 6.7 | -179.7 | 33.6 | 0 | 0 | 0 | 0 | 115 | A10 | A10-S13 PolarHBondContact O-OG 3.43Š|
| 14 | I | 47.9 | Very low | 46.4 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 65% | 0.651 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -104.2 | -6.1 | -176.2 | -60.2 | 178.1 | 0 | 0 | 0 | 113.8 | ||
| 15 | F | 43.4 | Very low | 47.4 | Very low | 183 Ų | 183 | 116.4 Ų | 116.4 | 80% | 0.803 | 66% | 0.661 | S | S | * | * | trans | -118.9 | 22.3 | -177.1 | -77.7 | -77.7 | 0 | 0 | 0 | 115.7 | V17 | F15-V17 PolarHBondContact O-N 3.08Å; F15-V17 VanDerWaalsContact O-N 3.08Å | ||
| 16 | S | 41.6 | Very low | 49.3 | Very low | 99 Ų | 99 | 111.7 Ų | 111.7 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -81.5 | 76.8 | 155.2 | 54.2 | 0 | 0 | 0 | 0 | 108 | S18 | S16-S18 PolarHBondContact O-N 2.79Š| ||
| 17 | V | 42.1 | Very low | 51 | Low | 128 Ų | 128 | 106.7 Ų | 106.7 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | trans | -61.3 | 89.2 | 149.9 | 176.6 | 0 | 0 | 0 | 0 | 103.4 | F15 S19 | F15-V17 PolarHBondContact O-N 3.08Å; F15-V17 VanDerWaalsContact O-N 3.08Å; V17-S19 PolarHBondContact O-N 2.83Å | ||
| 18 | S | 40.9 | Very low | 53.1 | Low | 84 Ų | 84 | 106.3 Ų | 106.3 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | trans | -55.8 | 101.4 | 163.5 | 175.1 | 0 | 0 | 0 | 0 | 103.7 | S16 Q20 | S16-S18 PolarHBondContact O-N 2.79Å; S18-Q20 PolarHBondContact O-N 2.66Å | ||
| 19 | S | 43.9 | Very low | 55.5 | Low | 90 Ų | 90 | 102.2 Ų | 102.2 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | trans | -55.5 | 93.4 | 151.4 | 53.5 | 0 | 0 | 0 | 0 | 103.1 | V17 Q21 | V17-S19 PolarHBondContact O-N 2.83Å; S19-Q21 PolarHBondContact O-N 2.76Å | ||
| 20 | Q | 44.7 | Very low | 57.8 | Low | 174 Ų | 174 | 103.4 Ų | 103.4 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | trans | -70.6 | 76.3 | 175.8 | -158.2 | 153.3 | 4.7 | 0 | 0 | 104.2 | S18 C22 | S18-Q20 PolarHBondContact O-N 2.66Å; Q20-C22 VanDerWaalsContact C-N 3.32Å; Q20-C22 PolarHBondContact O-N 2.94Å | ||
| 21 | Q | 44 | Very low | 60.1 | Low | 163 Ų | 163 | 100.7 Ų | 100.7 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | trans | -63.6 | 105.3 | 176.8 | -164.3 | 162.3 | 2.9 | 0 | 0 | 102.3 | S19 E23 | S19-Q21 PolarHBondContact O-N 2.76Å; Q21-E23 PolarHBondContact O-N 3.07Å | ||
| 22 | C | 49.5 | Very low | 62.4 | Low | 69 Ų | 69 | 100.4 Ų | 100.4 | 47% | 0.466 | 55% | 0.55 | S | S | . | * | trans | -61.1 | 88.1 | -174.6 | 173.5 | 0 | 0 | 0 | 0 | 108.1 | Q20 N24 C25 | Q20-C22 VanDerWaalsContact C-N 3.32Å; Q20-C22 PolarHBondContact O-N 2.94Å; C22-N24 PolarHBondContact O-N 2.71Å; C22-C25 HydrophobicContact CB-CB 3.89Å; C22-C25 WeakPolarHBondContact CB-SG 3.45Å; C22-C25 WeakPolarHBondContact O-CB 2.88Å; C22-C25 PolarHBondContact O-N 3.29Å; C22-C25 WeakPolarHBondContact SG-CA 3.41Å; C22-C25 WeakPolarHBondContact SG-CB 3.32Å; C22-C25 CovalentContact SG-SG 2.04Å; C22-C25 PolarHBondContact SG-SG 2.96Å | ||
| 23 | E | 47.9 | Very low | 64.7 | Low | 195 Ų | 195 | 93.7 Ų | 93.7 | 91% | 0.911 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.3 | -175.7 | -82.1 | -179 | 159.6 | 0 | 0 | 112.1 | Q21 | Q21-E23 PolarHBondContact O-N 3.07Š|
| 24 | N | 52.8 | Low | 67.1 | Low | 138 Ų | 138 | 90.1 Ų | 90.1 | 74% | 0.738 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | 48 | 178.5 | -133.9 | 11.7 | 0 | 0 | 0 | 111.5 | C22 S26 | C22-N24 PolarHBondContact O-N 2.71Å; N24-S26 PolarHBondContact O-N 3.12Å |
| 25 | C | 70.8 | Confident | 69.5 | Low | 27 Ų | 27 | 88.9 Ų | 88.9 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | trans | -76 | 36.5 | 180 | -107 | 0 | 0 | 0 | 0 | 114 | C22 H39 Y40 | C22-C25 HydrophobicContact CB-CB 3.89Å; C22-C25 WeakPolarHBondContact CB-SG 3.45Å; C22-C25 WeakPolarHBondContact O-CB 2.88Å; C22-C25 PolarHBondContact O-N 3.29Å; C22-C25 WeakPolarHBondContact SG-CA 3.41Å; C22-C25 WeakPolarHBondContact SG-CB 3.32Å; C22-C25 CovalentContact SG-SG 2.04Å; C22-C25 PolarHBondContact SG-SG 2.96Å; C25-H39 VanDerWaalsContact O-CA 3.23Å; C25-H39 WeakPolarHBondContact O-CA 3.49Å; C25-H39 WeakPolarHBondContact O-CB 3.23Å; C25-Y40 HydrophobicContact CB-CD2 4.22Å; C25-Y40 PolarHBondContact O-N 3.34Å | ||
| 26 | S | 84.4 | Confident | 72.1 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 144.2 | 171.9 | 80 | 0 | 0 | 0 | 0 | 111.1 | N24 E37 G38 Y40 | N24-S26 PolarHBondContact O-N 3.12Å; S26-E37 VanDerWaalsContact CB-CD 3.48Å; S26-E37 WeakPolarHBondContact CB-OE1 3.33Å; S26-E37 PolarHBondContact OG-OE1 2.82Å; S26-G38 CarbonylContact C-O 3.56Å; S26-G38 VanDerWaalsContact CA-O 3.32Å; S26-G38 WeakPolarHBondContact CA-O 3.06Å; S26-Y40 WeakPolarHBondContact O-CE2 3.41Å |
| 27 | C | 90.1 | Very high | 74.8 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.034 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.6 | 174.5 | 61 | 0 | 0 | 0 | 0 | 109.3 | G38 Y40 R50 F52 | C27-G38 PolarHBondContact N-O 2.91Å; C27-G38 PolarHBondContact O-N 2.04Å; C27-G38 VanDerWaalsContact SG-C 3.55Å; C27-Y40 HydrophobicContact CB-CD2 4.44Å; C27-Y40 HydrophobicContact CB-CE1 4.15Å; C27-Y40 HydrophobicContact CB-CE2 3.99Å; C27-R50 HydrophobicContact CB-CG 4.31Å; C27-F52 WeakPolarHBondContact O-CE1 3.19Å; C27-F52 WeakPolarHBondContact SG-CZ 3.42Å |
| 28 | T | 94.9 | Very high | 77.4 | Confident | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.2 | -179.3 | -48.9 | 0 | 0 | 0 | 0 | 110.7 | K35 I36 | T28-K35 HydrophobicContact CG2-CB 4.23Å; T28-K35 HydrophobicContact CG2-CD 4.48Å; T28-I36 CarbonylContact C-O 3.59Å; T28-I36 VanDerWaalsContact CA-O 3.29Å; T28-I36 WeakPolarHBondContact CA-O 3.34Å; T28-I36 WeakPolarHBondContact CG2-O 3.29Å |
| 29 | V | 95.8 | Very high | 80 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.036 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138 | 171.5 | 170.2 | 0 | 0 | 0 | 0 | 108.9 | L31 K35 I36 F52 A201 F202 | V29-L31 HydrophobicContact CG1-CD2 3.79Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; V29-I36 HydrophobicContact CB-CD1 4.41Å; V29-I36 HydrophobicContact CB-CG1 3.99Å; V29-I36 PolarHBondContact N-O 3.06Å; V29-I36 PolarHBondContact O-N 2.74Å; V29-F52 HydrophobicContact CB-CE1 4.13Å; V29-F52 HydrophobicContact CB-CZ 4.12Å; V29-F52 HydrophobicContact CG2-CE1 3.82Å; V29-F52 HydrophobicContact CG2-CE2 4.03Å; V29-F52 HydrophobicContact CG2-CZ 3.32Å; V29-A201 HydrophobicContact CG1-CB 3.72Å; V29-F202 HydrophobicContact CB-CE1 4.39Å; V29-F202 HydrophobicContact CG1-CD1 4.42Å; V29-F202 HydrophobicContact CG1-CE1 4.15Å; V29-F202 HydrophobicContact CG1-CE2 4.31Å; V29-F202 HydrophobicContact CG1-CZ 4.1Å; V29-F202 HydrophobicContact CG2-CD1 4.33Å; V29-F202 HydrophobicContact CG2-CE1 4.37Å |
| 30 | K | 95.7 | Very high | 82.5 | Confident | 164 Ų | 164 | 70.5 Ų | 70.5 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.6 | 175.4 | -174.9 | -178.1 | 178.8 | -175.2 | 0 | 109.1 | K35 | K30-K35 HydrophobicContact CB-CG 4.46Å; K30-K35 HydrophobicContact CG-CG 4.38Å |
| 31 | L | 96.4 | Very high | 84.9 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | trans | -98.4 | 171.6 | 172.8 | -50.6 | -179.7 | 0 | 0 | 0 | 110.2 | V29 T33 G34 I36 I55 W76 W194 E198 A201 F202 | V29-L31 HydrophobicContact CG1-CD2 3.79Å; L31-T33 PolarHBondContact O-N 2.91Å; L31-G34 WeakPolarHBondContact CA-O 3.43Å; L31-G34 VanDerWaalsContact CB-O 3.31Å; L31-G34 WeakPolarHBondContact CB-O 3.34Å; L31-G34 PolarHBondContact N-O 2.83Å; L31-G34 PolarHBondContact O-N 2.86Å; L31-I36 HydrophobicContact CD1-CD1 4.11Å; L31-I36 HydrophobicContact CD1-CG1 4.37Å; L31-I36 HydrophobicContact CD1-CG2 3.81Å; L31-I36 HydrophobicContact CG-CD1 4.48Å; L31-I36 HydrophobicContact CG-CG1 4.45Å; L31-I36 HydrophobicContact CG-CG2 4.49Å; L31-I55 HydrophobicContact CD1-CG2 4.29Å; L31-W76 HydrophobicContact CD1-CH2 4.08Å; L31-W76 HydrophobicContact CD1-CZ2 4.36Å; L31-W194 HydrophobicContact CD1-CH2 4.49Å; L31-W194 HydrophobicContact CD1-CZ2 3.69Å; L31-W194 HydrophobicContact CD2-CZ2 4.46Å; L31-E198 WeakPolarHBondContact CA-OE2 3.49Å; L31-E198 WeakPolarHBondContact CB-OE2 3.12Å; L31-E198 HydrophobicContact CD2-CB 4.2Å; L31-A201 HydrophobicContact CD2-CB 4.21Å; L31-F202 HydrophobicContact CD2-CE2 3.53Å; L31-F202 HydrophobicContact CD2-CZ 3.72Å | ||
| 32 | T | 94.4 | Very high | 87.2 | Confident | 98 Ų | 98 | 58 Ų | 58 | 60% | 0.601 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -66 | -29.7 | 172.3 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | R197 E198 | T32-R197 HydrophobicContact CG2-CG 4.43Å; T32-E198 WeakPolarHBondContact CB-OE1 3.29Å; T32-E198 WeakPolarHBondContact CG2-OE1 3.38Å; T32-E198 PolarHBondContact N-OE2 3.5Å; T32-E198 PolarHBondContact OG1-OE1 3.25Å |
| 33 | T | 93 | Very high | 89.2 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -83.4 | -19.7 | 179.5 | 54 | 0 | 0 | 0 | 0 | 113.6 | L31 S75 W76 | L31-T33 PolarHBondContact O-N 2.91Å; T33-S75 CarbonylContact O-C 3.57Å; T33-S75 WeakPolarHBondContact O-CA 3.31Å; T33-S75 VanDerWaalsContact O-CB 3.26Å; T33-S75 WeakPolarHBondContact O-CB 3.47Å; T33-S75 PolarHBondContact O-OG 3.24Å; T33-W76 PolarHBondContact O-N 3.32Å; T33-W76 WeakPolarHBondContact OG1-CH2 3.42Å; T33-W76 WeakPolarHBondContact OG1-CZ3 3.37Å |
| 34 | G | 95.3 | Very high | 91.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | trans | 152.9 | -173.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 | L31-G34 WeakPolarHBondContact CA-O 3.43Å; L31-G34 VanDerWaalsContact CB-O 3.31Å; L31-G34 WeakPolarHBondContact CB-O 3.34Å; L31-G34 PolarHBondContact N-O 2.83Å; L31-G34 PolarHBondContact O-N 2.86Å | ||
| 35 | K | 97.7 | Very high | 93 | Very high | 100 Ų | 100 | 50.9 Ų | 50.9 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 140.4 | 177.7 | -67.9 | 177.3 | -176.9 | 174 | 0 | 110.7 | T28 V29 K30 W76 V80 L81 | T28-K35 HydrophobicContact CG2-CB 4.23Å; T28-K35 HydrophobicContact CG2-CD 4.48Å; V29-K35 WeakPolarHBondContact O-CA 3.29Å; K30-K35 HydrophobicContact CB-CG 4.46Å; K30-K35 HydrophobicContact CG-CG 4.38Å; K35-W76 PolarHBondContact O-NE1 3.16Å; K35-V80 HydrophobicContact CB-CG1 4.39Å; K35-V80 HydrophobicContact CB-CG2 4.06Å; K35-V80 HydrophobicContact CD-CG2 4.34Å; K35-V80 WeakPolarHBondContact O-CA 3.44Å; K35-L81 PolarHBondContact O-N 2.97Å |
| 36 | I | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 151.3 | 169.3 | 63.4 | 172.2 | 0 | 0 | 0 | 110.2 | T28 V29 L31 F52 I55 W76 L81 F202 | T28-I36 CarbonylContact C-O 3.59Å; T28-I36 VanDerWaalsContact CA-O 3.29Å; T28-I36 WeakPolarHBondContact CA-O 3.34Å; T28-I36 WeakPolarHBondContact CG2-O 3.29Å; V29-I36 HydrophobicContact CB-CD1 4.41Å; V29-I36 HydrophobicContact CB-CG1 3.99Å; V29-I36 PolarHBondContact N-O 3.06Å; V29-I36 PolarHBondContact O-N 2.74Å; L31-I36 HydrophobicContact CD1-CD1 4.11Å; L31-I36 HydrophobicContact CD1-CG1 4.37Å; L31-I36 HydrophobicContact CD1-CG2 3.81Å; L31-I36 HydrophobicContact CG-CD1 4.48Å; L31-I36 HydrophobicContact CG-CG1 4.45Å; L31-I36 HydrophobicContact CG-CG2 4.49Å; I36-F52 HydrophobicContact CD1-CB 4.29Å; I36-F52 HydrophobicContact CD1-CD1 3.46Å; I36-F52 VanDerWaalsContact CD1-CD1 3.46Å; I36-F52 HydrophobicContact CD1-CE1 4.02Å; I36-F52 HydrophobicContact CD1-CG 4.02Å; I36-F52 HydrophobicContact CG1-CD1 3.88Å; I36-F52 HydrophobicContact CG1-CE1 4.05Å; I36-I55 HydrophobicContact CD1-CD1 3.74Å; I36-I55 HydrophobicContact CD1-CG1 3.87Å; I36-W76 HydrophobicContact CG2-CH2 3.99Å; I36-W76 HydrophobicContact CG2-CZ2 3.49Å; I36-W76 VanDerWaalsContact CG2-CZ2 3.49Å; I36-L81 CarbonylContact C-O 3.58Å; I36-L81 WeakPolarHBondContact CA-O 3.36Å; I36-L81 HydrophobicContact CG2-CB 4.26Å; I36-F202 HydrophobicContact CD1-CE1 3.81Å; I36-F202 HydrophobicContact CD1-CZ 3.64Å |
| 37 | E | 97.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 120.3 | 173.3 | -173.2 | -172.4 | -119.2 | 0 | 0 | 110 | S26 V80 L81 C83 H84 | S26-E37 VanDerWaalsContact CB-CD 3.48Å; S26-E37 WeakPolarHBondContact CB-OE1 3.33Å; S26-E37 PolarHBondContact OG-OE1 2.82Å; E37-V80 HydrophobicContact CB-CG1 3.75Å; E37-L81 PolarHBondContact N-O 3.2Å; E37-C83 CarbonylContact O-C 3.55Å; E37-C83 WeakPolarHBondContact O-CA 3.37Å; E37-C83 WeakPolarHBondContact O-CB 2.89Å; E37-C83 PolarHBondContact O-N 2.83Å; E37-H84 IonicContact OE2-CD2 3.93Å; E37-H84 IonicContact OE2-CE1 3.72Å; E37-H84 IonicContact OE2-NE2 2.87Å; E37-H84 PolarHBondContact OE2-NE2 3.2Å |
| 38 | G | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -161.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S26 C27 T51 H84 | S26-G38 CarbonylContact C-O 3.56Å; S26-G38 VanDerWaalsContact CA-O 3.32Å; S26-G38 WeakPolarHBondContact CA-O 3.06Å; C27-G38 PolarHBondContact N-O 2.91Å; C27-G38 PolarHBondContact O-N 2.04Å; C27-G38 VanDerWaalsContact SG-C 3.55Å; G38-T51 VanDerWaalsContact CA-O 3.32Å; G38-T51 WeakPolarHBondContact CA-O 3.44Å; G38-H84 VanDerWaalsContact C-CE1 3.46Å; G38-H84 PolarHBondContact O-CE1 3.31Å |
| 39 | H | 95.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 25% | 0.25 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 156.4 | 179.4 | 57.9 | -86.9 | 0 | 0 | 0 | 112.6 | C25 T51 H84 | C25-H39 VanDerWaalsContact O-CA 3.23Å; C25-H39 WeakPolarHBondContact O-CA 3.49Å; C25-H39 WeakPolarHBondContact O-CB 3.23Å; H39-T51 PolarHBondContact N-O 2.99Å; H39-T51 WeakPolarHBondContact NE2-CB 3.43Å; H39-T51 PolarHBondContact O-N 2.9Å; H39-H84 AromaticContact ND1-ND1 3.74Å |
| 40 | Y | 96 | Very high | 94.8 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 35% | 0.349 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 133.4 | 168.3 | -67.7 | -75.5 | 0 | 0 | 0 | 110.6 | C25 S26 C27 V47 G49 R50 | C25-Y40 HydrophobicContact CB-CD2 4.22Å; C25-Y40 PolarHBondContact O-N 3.34Å; S26-Y40 WeakPolarHBondContact O-CE2 3.41Å; C27-Y40 HydrophobicContact CB-CD2 4.44Å; C27-Y40 HydrophobicContact CB-CE1 4.15Å; C27-Y40 HydrophobicContact CB-CE2 3.99Å; Y40-V47 HydrophobicContact CD1-CG1 3.72Å; Y40-V47 HydrophobicContact CG-CG1 4.14Å; Y40-G49 CarbonylContact C-O 3.58Å; Y40-G49 WeakPolarHBondContact CA-O 3.26Å; Y40-R50 HydrophobicContact CD1-CG 3.96Å; Y40-R50 HydrophobicContact CE1-CG 4Å |
| 41 | A | 94.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | V47 V48 G49 H149 | A41-V47 CarbonylContact O-C 3.52Å; A41-V47 WeakPolarHBondContact O-CA 3.34Å; A41-V48 HydrophobicContact CB-CG2 3.84Å; A41-V48 PolarHBondContact O-N 3.34Å; A41-G49 PolarHBondContact N-O 2.9Å; A41-H149 VanDerWaalsContact CB-CD2 3.42Å; A41-H149 WeakPolarHBondContact CB-CD2 3.41Å; A41-H149 VanDerWaalsContact CB-NE2 3.26Å; A41-H149 WeakPolarHBondContact CB-NE2 3.36Å |
| 42 | V | 93.6 | Very high | 95 | Very high | 71 Ų | 71 | 45 Ų | 45 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.5 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | S46 V47 | V42-S46 CarbonylContact C-O 3.53Å; V42-S46 VanDerWaalsContact CA-O 3.29Å; V42-S46 WeakPolarHBondContact CA-O 3.39Å; V42-V47 HydrophobicContact CG2-CG2 4.1Å |
| 43 | I | 91.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 9% | 0.087 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.6 | 178.5 | -57.9 | -173.6 | 0 | 0 | 0 | 108 | G45 S46 V48 N146 H149 E150 | I43-G45 PolarHBondContact O-N 3.12Å; I43-G45 VanDerWaalsContact O-N 3.12Å; I43-S46 PolarHBondContact N-O 2.87Å; I43-S46 PolarHBondContact O-N 3.14Å; I43-V48 HydrophobicContact CB-CG1 3.98Å; I43-V48 HydrophobicContact CB-CG2 4.32Å; I43-V48 HydrophobicContact CD1-CG2 3.82Å; I43-V48 HydrophobicContact CG1-CG1 4.36Å; I43-V48 HydrophobicContact CG1-CG2 3.77Å; I43-N146 HydrophobicContact CD1-CB 4.3Å; I43-H149 HydrophobicContact CD1-CB 3.93Å; I43-E150 HydrophobicContact CD1-CG 3.54Å; I43-E150 HydrophobicContact CG2-CG 4.47Å; I43-E150 WeakPolarHBondContact CG2-OE1 3.22Å |
| 44 | N | 90.4 | Very high | 95.4 | Very high | 162 Ų | 162 | 40.3 Ų | 40.3 | 87% | 0.866 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.7 | -176.1 | -61.3 | -38.7 | 0 | 0 | 0 | 113.5 | S46 | N44-S46 VanDerWaalsContact C-N 3.26Å; N44-S46 PolarHBondContact O-N 2.84Å |
| 45 | G | 89.5 | Confident | 95.6 | Very high | 72 Ų | 72 | 40 Ų | 40 | 74% | 0.742 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I43 | I43-G45 PolarHBondContact O-N 3.12Å; I43-G45 VanDerWaalsContact O-N 3.12Å |
| 46 | S | 91.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 35.5 Ų | 35.5 | 52% | 0.524 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 137 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110.8 | V42 I43 N44 V48 | V42-S46 CarbonylContact C-O 3.53Å; V42-S46 VanDerWaalsContact CA-O 3.29Å; V42-S46 WeakPolarHBondContact CA-O 3.39Å; I43-S46 PolarHBondContact N-O 2.87Å; I43-S46 PolarHBondContact O-N 3.14Å; N44-S46 VanDerWaalsContact C-N 3.26Å; N44-S46 PolarHBondContact O-N 2.84Å; S46-V48 PolarHBondContact O-N 3.13Å |
| 47 | V | 93.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 35.5 Ų | 35.5 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 120.7 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 107.8 | Y40 A41 V42 N116 | Y40-V47 HydrophobicContact CD1-CG1 3.72Å; Y40-V47 HydrophobicContact CG-CG1 4.14Å; A41-V47 CarbonylContact O-C 3.52Å; A41-V47 WeakPolarHBondContact O-CA 3.34Å; V42-V47 HydrophobicContact CG2-CG2 4.1Å; V47-N116 PolarHBondContact O-ND2 3.06Å |
| 48 | V | 95.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 33 Ų | 33 | 11% | 0.109 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -18.9 | -179.5 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | A41 I43 S46 N116 H149 M154 | A41-V48 HydrophobicContact CB-CG2 3.84Å; A41-V48 PolarHBondContact O-N 3.34Å; I43-V48 HydrophobicContact CB-CG1 3.98Å; I43-V48 HydrophobicContact CB-CG2 4.32Å; I43-V48 HydrophobicContact CD1-CG2 3.82Å; I43-V48 HydrophobicContact CG1-CG1 4.36Å; I43-V48 HydrophobicContact CG1-CG2 3.77Å; S46-V48 PolarHBondContact O-N 3.13Å; V48-N116 VanDerWaalsContact C-CG 3.49Å; V48-N116 PolarHBondContact O-N 2.88Å; V48-N116 VanDerWaalsContact O-N 3.14Å; V48-H149 HydrophobicContact CG2-CB 4.11Å; V48-M154 HydrophobicContact CB-CG 3.92Å; V48-M154 HydrophobicContact CB-SD 4Å; V48-M154 HydrophobicContact CG1-CG 4.32Å; V48-M154 HydrophobicContact CG1-SD 3.81Å; V48-M154 HydrophobicContact CG2-SD 4.48Å |
| 49 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.1 | -162 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y40 A41 A114 N116 | Y40-G49 CarbonylContact C-O 3.58Å; Y40-G49 WeakPolarHBondContact CA-O 3.26Å; A41-G49 PolarHBondContact N-O 2.9Å; G49-A114 CarbonylContact C-O 3.56Å; G49-A114 WeakPolarHBondContact CA-O 3.03Å; G49-N116 VanDerWaalsContact CA-OD1 3.29Å; G49-N116 WeakPolarHBondContact CA-OD1 3.1Å; G49-N116 PolarHBondContact N-OD1 2.9Å |
| 50 | R | 97.3 | Very high | 95.9 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.6 | 178.9 | -61.5 | 174.8 | -68.3 | 163.8 | -0.1 | 109.9 | C27 Y40 F52 A114 H149 F202 | C27-R50 HydrophobicContact CB-CG 4.31Å; Y40-R50 HydrophobicContact CD1-CG 3.96Å; Y40-R50 HydrophobicContact CE1-CG 4Å; R50-F52 HydrophobicContact CB-CE2 3.77Å; R50-F52 HydrophobicContact CB-CZ 4.42Å; R50-A114 PolarHBondContact N-O 3.19Å; R50-A114 PolarHBondContact O-N 3.35Å; R50-H149 PolarHBondContact O-CE1 2.79Å; R50-F202 PolarHBondContact NH2-O 3.1Å |
| 51 | T | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.7 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | G38 H39 L53 F113 H149 | G38-T51 VanDerWaalsContact CA-O 3.32Å; G38-T51 WeakPolarHBondContact CA-O 3.44Å; H39-T51 PolarHBondContact N-O 2.99Å; H39-T51 WeakPolarHBondContact NE2-CB 3.43Å; H39-T51 PolarHBondContact O-N 2.9Å; T51-L53 HydrophobicContact CG2-CD1 4.3Å; T51-L53 HydrophobicContact CG2-CD2 3.52Å; T51-L53 HydrophobicContact CG2-CG 3.69Å; T51-F113 HydrophobicContact CG2-CD1 3.89Å; T51-F113 HydrophobicContact CG2-CE1 3.69Å; T51-H149 PolarHBondContact OG1-NE2 3.33Å |
| 52 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 111.6 | 171.4 | -58.3 | -96.1 | 0 | 0 | 0 | 108.8 | C27 V29 I36 R50 I55 C83 N111 V112 F202 | C27-F52 WeakPolarHBondContact O-CE1 3.19Å; C27-F52 WeakPolarHBondContact SG-CZ 3.42Å; V29-F52 HydrophobicContact CB-CE1 4.13Å; V29-F52 HydrophobicContact CB-CZ 4.12Å; V29-F52 HydrophobicContact CG2-CE1 3.82Å; V29-F52 HydrophobicContact CG2-CE2 4.03Å; V29-F52 HydrophobicContact CG2-CZ 3.32Å; I36-F52 HydrophobicContact CD1-CB 4.29Å; I36-F52 HydrophobicContact CD1-CD1 3.46Å; I36-F52 VanDerWaalsContact CD1-CD1 3.46Å; I36-F52 HydrophobicContact CD1-CE1 4.02Å; I36-F52 HydrophobicContact CD1-CG 4.02Å; I36-F52 HydrophobicContact CG1-CD1 3.88Å; I36-F52 HydrophobicContact CG1-CE1 4.05Å; R50-F52 HydrophobicContact CB-CE2 3.77Å; R50-F52 HydrophobicContact CB-CZ 4.42Å; F52-I55 HydrophobicContact CB-CD1 3.6Å; F52-I55 HydrophobicContact CB-CG1 4.06Å; F52-I55 HydrophobicContact CG-CD1 4.48Å; F52-C83 HydrophobicContact CB-CB 4.38Å; F52-N111 CarbonylContact O-C 3.58Å; F52-N111 WeakPolarHBondContact O-CA 3.48Å; F52-V112 PolarHBondContact N-O 3.14Å; F52-V112 PolarHBondContact O-N 2.95Å; F52-F202 HydrophobicContact CB-CE1 4.37Å; F52-F202 HydrophobicContact CD1-CE1 4.29Å; F52-F202 AromaticContact CD2-CD1 3.78Å; F52-F202 HydrophobicContact CD2-CD1 3.78Å; F52-F202 AromaticContact CD2-CE1 3.58Å; F52-F202 HydrophobicContact CD2-CE1 3.58Å; F52-F202 AromaticContact CE2-CD1 3.8Å; F52-F202 HydrophobicContact CE2-CD1 3.8Å; F52-F202 AromaticContact CE2-CE1 3.88Å; F52-F202 HydrophobicContact CE2-CE1 3.88Å; F52-F202 HydrophobicContact CG-CD1 4.48Å; F52-F202 AromaticContact CG-CE1 3.83Å; F52-F202 HydrophobicContact CG-CE1 3.83Å; F52-F202 HydrophobicContact CZ-CE1 4.36Å |
| 53 | L | 98.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 130.5 | -178.1 | -54.5 | -177.8 | 0 | 0 | 0 | 110.2 | T51 C83 I85 Y86 N111 F113 P145 | T51-L53 HydrophobicContact CG2-CD1 4.3Å; T51-L53 HydrophobicContact CG2-CD2 3.52Å; T51-L53 HydrophobicContact CG2-CG 3.69Å; L53-C83 PolarHBondContact N-O 3.28Å; L53-C83 CarbonylContact O-C 3.58Å; L53-C83 WeakPolarHBondContact O-CA 3.29Å; L53-C83 VanDerWaalsContact O-CB 3.28Å; L53-C83 WeakPolarHBondContact O-CB 3.01Å; L53-I85 CarbonylContact C-O 3.53Å; L53-I85 WeakPolarHBondContact CB-O 3.26Å; L53-Y86 HydrophobicContact CD1-CD2 3.84Å; L53-Y86 HydrophobicContact CD1-CE2 4Å; L53-Y86 HydrophobicContact CD1-CG 4.23Å; L53-Y86 HydrophobicContact CD2-CD1 4.26Å; L53-Y86 HydrophobicContact CD2-CD2 4.47Å; L53-Y86 HydrophobicContact CD2-CE1 3.91Å; L53-Y86 HydrophobicContact CD2-CE2 4.11Å; L53-N111 WeakPolarHBondContact CA-OD1 3.39Å; L53-N111 HydrophobicContact CD2-CB 3.86Å; L53-F113 HydrophobicContact CD2-CE1 3.71Å; L53-F113 HydrophobicContact CD2-CZ 3.6Å; L53-P145 HydrophobicContact CD1-CG 4.44Å |
| 54 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 79.8 | 41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | K87 Y109 L110 N111 | G54-K87 VanDerWaalsContact CA-CG 3.48Å; G54-Y109 VanDerWaalsContact O-CD1 3.27Å; G54-Y109 WeakPolarHBondContact O-CD1 3.42Å; G54-L110 PolarHBondContact N-O 3.45Å; G54-N111 PolarHBondContact N-OD1 3.2Å |
| 55 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.3 | 173.6 | -55.7 | 161.2 | 0 | 0 | 0 | 108.8 | L31 I36 F52 Y57 C83 Y109 L110 V112 W194 F202 | L31-I55 HydrophobicContact CD1-CG2 4.29Å; I36-I55 HydrophobicContact CD1-CD1 3.74Å; I36-I55 HydrophobicContact CD1-CG1 3.87Å; F52-I55 HydrophobicContact CB-CD1 3.6Å; F52-I55 HydrophobicContact CB-CG1 4.06Å; F52-I55 HydrophobicContact CG-CD1 4.48Å; I55-Y57 PolarHBondContact O-N 3.38Å; I55-C83 HydrophobicContact CG1-CB 4.37Å; I55-Y109 CarbonylContact O-C 3.54Å; I55-Y109 VanDerWaalsContact O-CA 3.28Å; I55-Y109 WeakPolarHBondContact O-CA 3.14Å; I55-L110 HydrophobicContact CB-CD1 3.97Å; I55-L110 HydrophobicContact CD1-CD1 3.97Å; I55-L110 PolarHBondContact N-O 3.25Å; I55-L110 PolarHBondContact O-N 3.04Å; I55-V112 HydrophobicContact CD1-CB 4.31Å; I55-V112 HydrophobicContact CD1-CG2 3.8Å; I55-W194 HydrophobicContact CD1-CH2 4.19Å; I55-W194 HydrophobicContact CG2-CH2 4.04Å; I55-W194 HydrophobicContact CG2-CZ2 3.47Å; I55-W194 VanDerWaalsContact CG2-CZ2 3.47Å; I55-F202 HydrophobicContact CD1-CE1 4.19Å; I55-F202 HydrophobicContact CD1-CZ 3.93Å |
| 56 | P | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 27.8 Ų | 27.8 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121.1 | 178.9 | 28.5 | -32.2 | 0 | 0 | 0 | 109.9 | K73 W76 L81 Y109 | P56-K73 HydrophobicContact CB-CD 3.97Å; P56-K73 HydrophobicContact CB-CG 4.09Å; P56-K73 HydrophobicContact CG-CD 4.32Å; P56-K73 HydrophobicContact CG-CG 4.15Å; P56-W76 HydrophobicContact CG-CZ3 4.23Å; P56-L81 HydrophobicContact CG-CD2 3.54Å; P56-Y109 HydrophobicContact CB-CD1 3.85Å; P56-Y109 HydrophobicContact CB-CE1 3.7Å; P56-Y109 HydrophobicContact CG-CE1 4.33Å |
| 57 | Y | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -96.1 | -22.7 | 174.6 | 65.3 | -98.5 | 0 | 0 | 0 | 112.2 | I55 K73 L108 L110 V162 A163 D187 E190 A191 | I55-Y57 PolarHBondContact O-N 3.38Å; Y57-K73 PolarHBondContact O-N 2.83Å; Y57-L108 WeakPolarHBondContact CD1-O 3.43Å; Y57-L108 HydrophobicContact CE1-CB 4.13Å; Y57-L108 WeakPolarHBondContact CE1-O 3.32Å; Y57-L108 HydrophobicContact CE2-CB 4.11Å; Y57-L108 PolarHBondContact N-O 3.31Å; Y57-L108 WeakPolarHBondContact OH-CD2 3.41Å; Y57-L110 HydrophobicContact CD1-CB 4.08Å; Y57-L110 HydrophobicContact CD1-CD2 3.89Å; Y57-L110 HydrophobicContact CD1-CG 4.01Å; Y57-L110 HydrophobicContact CG-CD2 4.13Å; Y57-V162 HydrophobicContact CE1-CG1 4.18Å; Y57-A163 PolarHBondContact OH-O 3.36Å; Y57-D187 VanDerWaalsContact CE2-O 3.27Å; Y57-D187 WeakPolarHBondContact CE2-O 3.1Å; Y57-E190 HydrophobicContact CD2-CB 4.36Å; Y57-E190 HydrophobicContact CD2-CG 4.1Å; Y57-E190 HydrophobicContact CE2-CB 4.36Å; Y57-E190 HydrophobicContact CE2-CG 4.48Å; Y57-A191 HydrophobicContact CD1-CB 4.13Å; Y57-A191 HydrophobicContact CD2-CB 3.96Å; Y57-A191 HydrophobicContact CE1-CB 4.11Å; Y57-A191 HydrophobicContact CE2-CB 3.96Å; Y57-A191 HydrophobicContact CG-CB 4.04Å | ||
| 58 | A | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 165.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P70 K71 L108 E190 | A58-P70 HydrophobicContact CB-CB 3.93Å; A58-K71 CarbonylContact C-O 3.48Å; A58-K71 WeakPolarHBondContact CA-O 3.28Å; A58-K71 VanDerWaalsContact CB-O 3.31Å; A58-K71 WeakPolarHBondContact CB-O 3.42Å; A58-L108 HydrophobicContact CB-CB 4.03Å; A58-L108 HydrophobicContact CB-CD1 3.72Å; A58-E190 HydrophobicContact CB-CG 4.32Å |
| 59 | E | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 15% | 0.154 | 16% | 0.155 | C | C | . | . | trans | -65.3 | 149 | 167.3 | -69.5 | -56.2 | 148.9 | 0 | 0 | 111.3 | L65 K71 K73 E74 | E59-L65 HydrophobicContact CB-CD1 3.89Å; E59-K71 HydrophobicContact CB-CB 4.37Å; E59-K71 HydrophobicContact CG-CB 4.38Å; E59-K71 HydrophobicContact CG-CD 4.3Å; E59-K71 HydrophobicContact CG-CG 4.41Å; E59-K71 PolarHBondContact N-O 3.45Å; E59-K73 WeakPolarHBondContact OE1-CD 3.45Å; E59-K73 IonicContact OE1-NZ 2.72Å; E59-K73 PolarHBondContact OE1-NZ 2.76Å; E59-K73 IonicContact OE2-NZ 2.81Å; E59-K73 PolarHBondContact OE2-NZ 2.85Å; E59-E74 WeakPolarHBondContact OE1-CB 3.04Å; E59-E74 PolarHBondContact OE1-N 2.92Å | ||
| 60 | P | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 28.1 Ų | 28.1 | 20% | 0.201 | 16% | 0.161 | C | C | . | . | trans | -55.2 | 128.4 | 175.1 | -24.3 | 34 | 0 | 0 | 0 | 110.8 | L62 D106 | P60-L62 HydrophobicContact CB-CD1 3.81Å; P60-L62 HydrophobicContact CB-CG 3.86Å; P60-L62 PolarHBondContact O-N 3.22Å; P60-D106 HydrophobicContact CB-CB 4.04Å | ||
| 61 | P | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -79.1 | 54.2 | -177 | 33.7 | -36.8 | 0 | 0 | 0 | 111.3 | R66 E105 L108 R165 | P61-R66 WeakPolarHBondContact O-CA 3.34Å; P61-R66 PolarHBondContact O-N 3.16Å; P61-E105 VanDerWaalsContact CD-O 3.3Å; P61-E105 WeakPolarHBondContact CD-O 3.47Å; P61-E105 VanDerWaalsContact CG-O 3.24Å; P61-E105 WeakPolarHBondContact CG-O 3.29Å; P61-L108 HydrophobicContact CB-CD1 4.18Å; P61-L108 HydrophobicContact CG-CD1 3.9Å; P61-L108 HydrophobicContact CG-CD2 4.49Å; P61-L108 HydrophobicContact CG-CG 3.96Å; P61-R165 HydrophobicContact CG-CG 4.24Å | ||
| 62 | L | 97.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 33 Ų | 33 | 41% | 0.414 | 19% | 0.191 | S | C | . | . | trans | -103.7 | 154.5 | -175.2 | -59.8 | 176.4 | 0 | 0 | 0 | 111.1 | P60 L65 E105 D106 | P60-L62 HydrophobicContact CB-CD1 3.81Å; P60-L62 HydrophobicContact CB-CG 3.86Å; P60-L62 PolarHBondContact O-N 3.22Å; L62-L65 PolarHBondContact O-N 2.85Å; L62-E105 HydrophobicContact CD2-CB 3.56Å; L62-D106 HydrophobicContact CD1-CB 4.49Å | ||
| 63 | G | 95.4 | Very high | 97.7 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | 55.7 | -121.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L65 R66 | G63-L65 PolarHBondContact O-N 3.44Å; G63-R66 WeakPolarHBondContact O-CB 3.32Å; G63-R66 PolarHBondContact O-N 3.17Å |
| 64 | P | 95.3 | Very high | 97.6 | Very high | 102 Ų | 102 | 40.6 Ų | 40.6 | 66% | 0.662 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -60.5 | -23.8 | 177.9 | -22.9 | 33.8 | 0 | 0 | 0 | 114.7 | R66 R285 | P64-R66 VanDerWaalsContact C-N 3.32Å; P64-R285 PolarHBondContact O-NE 2.79Å |
| 65 | L | 97.4 | Very high | 97.5 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -83.9 | -7.7 | 177.7 | -64.6 | 179.8 | 0 | 0 | 0 | 113.1 | E59 L62 G63 A68 K71 | E59-L65 HydrophobicContact CB-CD1 3.89Å; L62-L65 PolarHBondContact O-N 2.85Å; G63-L65 PolarHBondContact O-N 3.44Å; L65-A68 PolarHBondContact O-N 2.95Å; L65-K71 HydrophobicContact CD2-CB 4.48Å |
| 66 | R | 97.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 135.3 | 168.5 | -170.6 | -173.2 | -68.7 | 171.4 | -4.3 | 108.6 | P61 G63 P64 A68 E105 R285 I287 | P61-R66 WeakPolarHBondContact O-CA 3.34Å; P61-R66 PolarHBondContact O-N 3.16Å; G63-R66 WeakPolarHBondContact O-CB 3.32Å; G63-R66 PolarHBondContact O-N 3.17Å; P64-R66 VanDerWaalsContact C-N 3.32Å; R66-A68 PolarHBondContact O-N 2.94Å; R66-E105 IonicContact CZ-OE1 2.86Å; R66-E105 IonicContact CZ-OE2 3.22Å; R66-E105 IonicContact NE-OE1 3.77Å; R66-E105 PolarHBondContact NE-OE1 2.89Å; R66-E105 IonicContact NE-OE2 3.37Å; R66-E105 IonicContact NH2-OE1 3.93Å; R66-E105 PolarHBondContact NH2-OE1 3.09Å; R66-E105 IonicContact NH2-OE2 2.71Å; R66-E105 PolarHBondContact NH2-OE2 3.27Å; R66-R285 HydrophobicContact CB-CG 4.31Å; R66-R285 PolarHBondContact NH1-O 3.04Å; R66-R285 PolarHBondContact O-NE 2.79Å; R66-R285 PolarHBondContact O-NH2 3.46Å; R66-I287 PolarHBondContact NH1-O 3.42Å |
| 67 | F | 96.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38.1 | -173.3 | -43.7 | -51 | 0 | 0 | 0 | 113.5 | V168 F172 A179 F183 M284 R285 L292 | F67-V168 HydrophobicContact CE1-CG2 4.44Å; F67-V168 WeakPolarHBondContact CE1-O 3.22Å; F67-F172 HydrophobicContact CB-CD1 4.13Å; F67-F172 HydrophobicContact CD1-CB 3.65Å; F67-F172 AromaticContact CD1-CD1 3.78Å; F67-F172 HydrophobicContact CD1-CD1 3.78Å; F67-F172 HydrophobicContact CD1-CG 4.07Å; F67-F172 AromaticContact CD2-CD1 3.84Å; F67-F172 HydrophobicContact CD2-CD1 3.84Å; F67-F172 HydrophobicContact CD2-CE1 4.23Å; F67-F172 HydrophobicContact CE1-CB 3.57Å; F67-F172 HydrophobicContact CE1-CD1 4.08Å; F67-F172 HydrophobicContact CE1-CG 4.02Å; F67-F172 HydrophobicContact CE2-CD1 4.15Å; F67-F172 HydrophobicContact CG-CB 4.4Å; F67-F172 AromaticContact CG-CD1 3.64Å; F67-F172 HydrophobicContact CG-CD1 3.64Å; F67-F172 HydrophobicContact CG-CE1 4.4Å; F67-F172 HydrophobicContact CG-CG 4.38Å; F67-F172 HydrophobicContact CZ-CB 4.27Å; F67-F172 HydrophobicContact CZ-CD1 4.24Å; F67-F172 HydrophobicContact CZ-CG 4.28Å; F67-A179 HydrophobicContact CB-CB 4.47Å; F67-F183 VanDerWaalsContact C-CE1 3.44Å; F67-F183 HydrophobicContact CB-CD2 4.45Å; F67-F183 HydrophobicContact CB-CE2 3.65Å; F67-F183 HydrophobicContact CB-CZ 3.94Å; F67-F183 HydrophobicContact CD1-CD2 4.46Å; F67-F183 HydrophobicContact CD1-CE2 4.19Å; F67-F183 HydrophobicContact CG-CE2 4.4Å; F67-F183 WeakPolarHBondContact O-CE1 3.39Å; F67-F183 WeakPolarHBondContact O-CZ 3.46Å; F67-M284 HydrophobicContact CD2-CB 4.33Å; F67-M284 HydrophobicContact CE2-CB 3.76Å; F67-R285 HydrophobicContact CD2-CG 4.07Å; F67-R285 PolarHBondContact O-NH2 3.28Å; F67-L292 HydrophobicContact CZ-CD2 3.74Å |
| 68 | A | 96.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 19% | 0.19 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -130 | 163.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | L65 R66 R165 F183 | L65-A68 PolarHBondContact O-N 2.95Å; R66-A68 PolarHBondContact O-N 2.94Å; A68-R165 PolarHBondContact O-NH1 2.52Å; A68-R165 PolarHBondContact O-NH2 3.13Å; A68-F183 VanDerWaalsContact C-CD1 3.46Å; A68-F183 WeakPolarHBondContact O-CD1 3.47Å |
| 69 | E | 96.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 145.3 | 169.1 | -65.6 | -164.8 | 140.3 | 0 | 0 | 111 | K71 | E69-K71 PolarHBondContact O-N 2.95Š|
| 70 | P | 98.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 13% | 0.13 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -62 | 136 | 174.9 | 29.4 | -36.4 | 0 | 0 | 0 | 110.1 | A58 L108 S186 D187 E190 | A58-P70 HydrophobicContact CB-CB 3.93Å; P70-L108 HydrophobicContact CB-CD1 4.12Å; P70-S186 VanDerWaalsContact CD-CB 3.43Å; P70-S186 WeakPolarHBondContact CG-O 3.3Å; P70-D187 WeakPolarHBondContact CB-OD1 3.14Å; P70-E190 HydrophobicContact CB-CB 4.21Å; P70-E190 HydrophobicContact CB-CG 4.29Å; P70-E190 HydrophobicContact CG-CB 3.67Å; P70-E190 HydrophobicContact CG-CG 4.2Å |
| 71 | K | 98.5 | Very high | 95.5 | Very high | 99 Ų | 99 | 66.6 Ų | 66.6 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 130.3 | 169.9 | -176.4 | -177.4 | 169.7 | -165.9 | 0 | 108.6 | A58 E59 L65 E69 E74 | A58-K71 CarbonylContact C-O 3.48Å; A58-K71 WeakPolarHBondContact CA-O 3.28Å; A58-K71 VanDerWaalsContact CB-O 3.31Å; A58-K71 WeakPolarHBondContact CB-O 3.42Å; E59-K71 HydrophobicContact CB-CB 4.37Å; E59-K71 HydrophobicContact CG-CB 4.38Å; E59-K71 HydrophobicContact CG-CD 4.3Å; E59-K71 HydrophobicContact CG-CG 4.41Å; E59-K71 PolarHBondContact N-O 3.45Å; L65-K71 HydrophobicContact CD2-CB 4.48Å; E69-K71 PolarHBondContact O-N 2.95Å; K71-E74 IonicContact NZ-OE1 3.61Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å |
| 72 | S | 98.5 | Very high | 95.5 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -51.2 | 141 | 174.5 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | E74 E190 | S72-E74 PolarHBondContact O-N 2.89Å; S72-E190 WeakPolarHBondContact CA-OE1 3.4Å; S72-E190 VanDerWaalsContact CB-OE1 3.24Å; S72-E190 WeakPolarHBondContact CB-OE1 3.31Å; S72-E190 PolarHBondContact OG-OE1 3.27Å |
| 73 | K | 97.8 | Very high | 95.5 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 24% | 0.235 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 129 | -177.8 | -173.1 | 67.7 | -164.2 | 166.8 | 0 | 111.6 | P56 Y57 E59 W76 | P56-K73 HydrophobicContact CB-CD 3.97Å; P56-K73 HydrophobicContact CB-CG 4.09Å; P56-K73 HydrophobicContact CG-CD 4.32Å; P56-K73 HydrophobicContact CG-CG 4.15Å; Y57-K73 PolarHBondContact O-N 2.83Å; E59-K73 WeakPolarHBondContact OE1-CD 3.45Å; E59-K73 IonicContact OE1-NZ 2.72Å; E59-K73 PolarHBondContact OE1-NZ 2.76Å; E59-K73 IonicContact OE2-NZ 2.81Å; E59-K73 PolarHBondContact OE2-NZ 2.85Å; K73-W76 HydrophobicContact CG-CE3 4.42Å; K73-W76 HydrophobicContact CG-CZ3 4.17Å |
| 74 | E | 95.8 | Very high | 95.5 | Very high | 113 Ų | 113 | 66.7 Ų | 66.7 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 152.5 | 174.2 | -69.3 | -173.7 | -179.4 | 0 | 0 | 111.7 | E59 K71 S72 W76 | E59-E74 WeakPolarHBondContact OE1-CB 3.04Å; E59-E74 PolarHBondContact OE1-N 2.92Å; K71-E74 IonicContact NZ-OE1 3.61Å; K71-E74 PolarHBondContact NZ-OE1 2.88Å; S72-E74 PolarHBondContact O-N 2.89Å; E74-W76 PolarHBondContact O-N 3.5Å |
| 75 | S | 95.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 66.3 Ų | 66.3 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 131.2 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | T33 K77 | T33-S75 CarbonylContact O-C 3.57Å; T33-S75 WeakPolarHBondContact O-CA 3.31Å; T33-S75 VanDerWaalsContact O-CB 3.26Å; T33-S75 WeakPolarHBondContact O-CB 3.47Å; T33-S75 PolarHBondContact O-OG 3.24Å; S75-K77 PolarHBondContact O-N 3.29Å; S75-K77 PolarHBondContact OG-N 2.9Å |
| 76 | W | 94.2 | Very high | 95.4 | Very high | 42 Ų | 42 | 65.7 Ų | 65.7 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | trans | -89.5 | 18.8 | 169.5 | 58.8 | 85.7 | 0 | 0 | 0 | 112.6 | L31 T33 K35 I36 P56 K73 E74 D78 A79 L81 | L31-W76 HydrophobicContact CD1-CH2 4.08Å; L31-W76 HydrophobicContact CD1-CZ2 4.36Å; T33-W76 PolarHBondContact O-N 3.32Å; T33-W76 WeakPolarHBondContact OG1-CH2 3.42Å; T33-W76 WeakPolarHBondContact OG1-CZ3 3.37Å; K35-W76 PolarHBondContact O-NE1 3.16Å; I36-W76 HydrophobicContact CG2-CH2 3.99Å; I36-W76 HydrophobicContact CG2-CZ2 3.49Å; I36-W76 VanDerWaalsContact CG2-CZ2 3.49Å; P56-W76 HydrophobicContact CG-CZ3 4.23Å; K73-W76 HydrophobicContact CG-CE3 4.42Å; K73-W76 HydrophobicContact CG-CZ3 4.17Å; E74-W76 PolarHBondContact O-N 3.5Å; W76-D78 PolarHBondContact O-N 3.43Å; W76-A79 PolarHBondContact NE1-O 3.26Å; W76-A79 WeakPolarHBondContact O-CB 3.48Å; W76-A79 PolarHBondContact O-N 2.77Å; W76-A79 VanDerWaalsContact O-N 3.16Å; W76-L81 HydrophobicContact CH2-CD2 4.35Å; W76-L81 HydrophobicContact CZ2-CB 4.24Å; W76-L81 HydrophobicContact CZ2-CD2 4.4Å; W76-L81 HydrophobicContact CZ3-CD2 4.49Å | ||
| 77 | K | 88 | Confident | 95.3 | Very high | 165 Ų | 165 | 68 Ų | 68 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -120.4 | 173.5 | -56.7 | 179.8 | -178.2 | 178.2 | 0 | 112.2 | S75 | S75-K77 PolarHBondContact O-N 3.29Å; S75-K77 PolarHBondContact OG-N 2.9Å |
| 78 | D | 86.2 | Confident | 95.2 | Very high | 158 Ų | 158 | 69.3 Ų | 69.3 | 85% | 0.845 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -5.4 | -173.7 | -58.1 | -52.7 | 0 | 0 | 0 | 113.6 | W76 | W76-D78 PolarHBondContact O-N 3.43Š|
| 79 | A | 91.2 | Very high | 95.1 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | trans | -67.2 | 149 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | W76 | W76-A79 PolarHBondContact NE1-O 3.26Å; W76-A79 WeakPolarHBondContact O-CB 3.48Å; W76-A79 PolarHBondContact O-N 2.77Å; W76-A79 VanDerWaalsContact O-N 3.16Å | ||
| 80 | V | 94.9 | Very high | 95 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 107.4 | K35 E37 | K35-V80 HydrophobicContact CB-CG1 4.39Å; K35-V80 HydrophobicContact CB-CG2 4.06Å; K35-V80 HydrophobicContact CD-CG2 4.34Å; K35-V80 WeakPolarHBondContact O-CA 3.44Å; E37-V80 HydrophobicContact CB-CG1 3.75Å |
| 81 | L | 96.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.3 | 179.3 | -175.5 | 67.1 | 0 | 0 | 0 | 110.2 | K35 I36 E37 P56 W76 C83 | K35-L81 PolarHBondContact O-N 2.97Å; I36-L81 CarbonylContact C-O 3.58Å; I36-L81 WeakPolarHBondContact CA-O 3.36Å; I36-L81 HydrophobicContact CG2-CB 4.26Å; E37-L81 PolarHBondContact N-O 3.2Å; P56-L81 HydrophobicContact CG-CD2 3.54Å; W76-L81 HydrophobicContact CH2-CD2 4.35Å; W76-L81 HydrophobicContact CZ2-CB 4.24Å; W76-L81 HydrophobicContact CZ2-CD2 4.4Å; W76-L81 HydrophobicContact CZ3-CD2 4.49Å; L81-C83 PolarHBondContact O-N 3.26Å |
| 82 | S | 96.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 118.7 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | H84 | S82-H84 PolarHBondContact OG-CD2 3.02Å |
| 83 | C | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -122.4 | 47.5 | -177.4 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | E37 F52 L53 I55 L81 | E37-C83 CarbonylContact O-C 3.55Å; E37-C83 WeakPolarHBondContact O-CA 3.37Å; E37-C83 WeakPolarHBondContact O-CB 2.89Å; E37-C83 PolarHBondContact O-N 2.83Å; F52-C83 HydrophobicContact CB-CB 4.38Å; L53-C83 PolarHBondContact N-O 3.28Å; L53-C83 CarbonylContact O-C 3.58Å; L53-C83 WeakPolarHBondContact O-CA 3.29Å; L53-C83 VanDerWaalsContact O-CB 3.28Å; L53-C83 WeakPolarHBondContact O-CB 3.01Å; I55-C83 HydrophobicContact CG1-CB 4.37Å; L81-C83 PolarHBondContact O-N 3.26Å | ||
| 84 | H | 95.7 | Very high | 91.7 | Very high | 59 Ų | 59 | 62.7 Ų | 62.7 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | -18.9 | -178.1 | -65.9 | -63.9 | 0 | 0 | 0 | 114.8 | E37 G38 H39 S82 | E37-H84 IonicContact OE2-CD2 3.93Å; E37-H84 IonicContact OE2-CE1 3.72Å; E37-H84 IonicContact OE2-NE2 2.87Å; E37-H84 PolarHBondContact OE2-NE2 3.2Å; G38-H84 VanDerWaalsContact C-CE1 3.46Å; G38-H84 PolarHBondContact O-CE1 3.31Å; H39-H84 AromaticContact ND1-ND1 3.74Å; S82-H84 PolarHBondContact OG-CD2 3.02Å |
| 85 | I | 95.1 | Very high | 89.6 | Confident | 95 Ų | 95 | 59 Ų | 59 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -132.6 | 145.8 | -173.6 | 61.5 | 171.2 | 0 | 0 | 0 | 111.3 | L53 K87 | L53-I85 CarbonylContact C-O 3.53Å; L53-I85 WeakPolarHBondContact CB-O 3.26Å; I85-K87 PolarHBondContact O-N 3.24Å |
| 86 | Y | 95.7 | Very high | 87.4 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 140.2 | 169.1 | -77.9 | -72.7 | 0 | 0 | 0 | 110.8 | L53 N111 F113 P140 F143 P145 | L53-Y86 HydrophobicContact CD1-CD2 3.84Å; L53-Y86 HydrophobicContact CD1-CE2 4Å; L53-Y86 HydrophobicContact CD1-CG 4.23Å; L53-Y86 HydrophobicContact CD2-CD1 4.26Å; L53-Y86 HydrophobicContact CD2-CD2 4.47Å; L53-Y86 HydrophobicContact CD2-CE1 3.91Å; L53-Y86 HydrophobicContact CD2-CE2 4.11Å; Y86-N111 VanDerWaalsContact CD1-OD1 3.32Å; Y86-N111 WeakPolarHBondContact CD1-OD1 3.27Å; Y86-N111 HydrophobicContact CE1-CB 4.11Å; Y86-N111 VanDerWaalsContact CE1-CG 3.43Å; Y86-N111 WeakPolarHBondContact CE1-ND2 3.32Å; Y86-F113 HydrophobicContact CE1-CZ 4.45Å; Y86-F113 VanDerWaalsContact OH-CZ 3.29Å; Y86-F113 WeakPolarHBondContact OH-CZ 3.16Å; Y86-P140 HydrophobicContact CE1-CB 4.4Å; Y86-F143 PolarHBondContact OH-O 2.84Å; Y86-P145 HydrophobicContact CE2-CG 3.73Å |
| 87 | K | 95.5 | Very high | 85.4 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 30% | 0.296 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 163.1 | 173.2 | -67.1 | -73 | -178.7 | -177.5 | 0 | 110.5 | G54 I85 Y109 | G54-K87 VanDerWaalsContact CA-CG 3.48Å; I85-K87 PolarHBondContact O-N 3.24Å; K87-Y109 HydrophobicContact CB-CD1 4.28Å; K87-Y109 HydrophobicContact CB-CD2 3.54Å; K87-Y109 HydrophobicContact CB-CE2 4Å; K87-Y109 HydrophobicContact CB-CG 3.72Å; K87-Y109 HydrophobicContact CD-CD1 4.38Å; K87-Y109 HydrophobicContact CD-CE1 4.11Å; K87-Y109 HydrophobicContact CD-CE2 4.43Å; K87-Y109 HydrophobicContact CG-CD1 3.67Å; K87-Y109 HydrophobicContact CG-CD2 3.84Å; K87-Y109 HydrophobicContact CG-CE1 3.9Å; K87-Y109 HydrophobicContact CG-CE2 4.12Å; K87-Y109 HydrophobicContact CG-CG 3.65Å |
| 88 | P | 94.4 | Very high | 83.8 | Confident | 29 Ų | 29 | 64 Ų | 64 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 145.5 | 178.7 | -26.1 | 36 | 0 | 0 | 0 | 112 | R102 | P88-R102 WeakPolarHBondContact CA-O 3.43Å; P88-R102 HydrophobicContact CB-CB 4.02Å; P88-R102 HydrophobicContact CG-CB 4.15Å |
| 89 | A | 94.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 154.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P100 R102 I103 S104 S139 | A89-P100 HydrophobicContact CB-CB 3.65Å; A89-P100 HydrophobicContact CB-CG 4.14Å; A89-R102 PolarHBondContact N-O 2.04Å; A89-I103 HydrophobicContact CB-CG2 4.32Å; A89-I103 CarbonylContact O-C 3.53Å; A89-I103 VanDerWaalsContact O-CA 3.29Å; A89-I103 WeakPolarHBondContact O-CA 3.5Å; A89-S104 PolarHBondContact O-N 3.39Å; A89-S139 VanDerWaalsContact CB-CB 3.46Å; A89-S139 WeakPolarHBondContact CB-OG 3.38Å |
| 90 | C | 95.8 | Very high | 80.7 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 147.1 | 170.3 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | Q92 S104 C107 Y164 L166 | C90-Q92 WeakPolarHBondContact O-CG 3.48Å; C90-Q92 PolarHBondContact O-N 2.91Å; C90-Q92 PolarHBondContact O-NE2 3.45Å; C90-S104 CarbonylContact C-O 3.54Å; C90-S104 WeakPolarHBondContact CA-O 3.39Å; C90-C107 VanDerWaalsContact CA-CB 3.46Å; C90-C107 WeakPolarHBondContact CA-SG 3.39Å; C90-C107 HydrophobicContact CB-CB 3.8Å; C90-C107 WeakPolarHBondContact CB-SG 3.2Å; C90-C107 WeakPolarHBondContact SG-CB 3.35Å; C90-C107 CovalentContact SG-SG 2.03Å; C90-C107 PolarHBondContact SG-SG 3.21Å; C90-Y164 PolarHBondContact SG-O 2.93Å; C90-L166 HydrophobicContact CB-CD1 4.29Å; C90-L166 HydrophobicContact CB-CG 4.3Å |
| 91 | W | 94.2 | Very high | 79.3 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 21% | 0.212 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -52 | 126.1 | -172.6 | -164.6 | -71.4 | 0 | 0 | 0 | 112.4 | I103 S104 E105 F169 A289 D290 D293 | W91-I103 HydrophobicContact CD2-CD1 4.38Å; W91-S104 PolarHBondContact N-O 3.1Å; W91-S104 VanDerWaalsContact N-O 3.09Å; W91-E105 HydrophobicContact CB-CG 4.18Å; W91-E105 HydrophobicContact CE3-CG 4.15Å; W91-F169 HydrophobicContact CB-CD2 3.96Å; W91-F169 HydrophobicContact CB-CE2 3.8Å; W91-F169 HydrophobicContact CB-CZ 4.21Å; W91-F169 AromaticContact CD1-CE2 3.34Å; W91-F169 AromaticContact CD1-CZ 3.75Å; W91-F169 HydrophobicContact CD2-CZ 4.47Å; W91-F169 HydrophobicContact CG-CD2 4.32Å; W91-F169 AromaticContact CG-CE2 3.66Å; W91-F169 HydrophobicContact CG-CE2 3.66Å; W91-F169 AromaticContact CG-CZ 3.86Å; W91-F169 HydrophobicContact CG-CZ 3.86Å; W91-A289 HydrophobicContact CD2-CB 3.59Å; W91-A289 HydrophobicContact CE3-CB 3.59Å; W91-A289 HydrophobicContact CG-CB 4.31Å; W91-A289 HydrophobicContact CH2-CB 3.82Å; W91-A289 HydrophobicContact CZ2-CB 3.84Å; W91-A289 HydrophobicContact CZ3-CB 3.7Å; W91-A289 PolarHBondContact NE1-O 2.95Å; W91-D290 HydrophobicContact CH2-CB 4.22Å; W91-D290 VanDerWaalsContact CZ2-CA 3.46Å; W91-D290 HydrophobicContact CZ2-CB 3.71Å; W91-D290 VanDerWaalsContact CZ2-N 3.27Å; W91-D293 PolarHBondContact NE1-OD2 2.95Å |
| 92 | Q | 90.4 | Very high | 78.9 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 3% | 0.033 | 34% | 0.338 | C | S | . | . | trans | -162.1 | 139.9 | -178.2 | 62.7 | -169.6 | -91.3 | 0 | 0 | 110.5 | C90 R94 P100 I103 D136 D138 | C90-Q92 WeakPolarHBondContact O-CG 3.48Å; C90-Q92 PolarHBondContact O-N 2.91Å; C90-Q92 PolarHBondContact O-NE2 3.45Å; Q92-R94 PolarHBondContact OE1-O 3.46Å; Q92-P100 HydrophobicContact CG-CG 4.35Å; Q92-I103 HydrophobicContact CG-CG2 4.12Å; Q92-I103 WeakPolarHBondContact O-CD1 3.29Å; Q92-D136 WeakPolarHBondContact CB-O 3.32Å; Q92-D138 PolarHBondContact NE2-O 3.41Å | ||
| 93 | N | 74.5 | Confident | 78.7 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -102.4 | -2 | 173.7 | -166.4 | 4.1 | 0 | 0 | 0 | 113.4 | D293 | N93-D293 WeakPolarHBondContact CB-OD2 2.99Å; N93-D293 PolarHBondContact N-OD2 2.88Å |
| 94 | R | 64.1 | Low | 78.6 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | trans | -104.4 | 120.9 | 176.1 | -77.2 | 179.4 | 148.6 | -165.3 | 0.4 | 109.4 | Q92 F137 N301 | Q92-R94 PolarHBondContact OE1-O 3.46Å; R94-F137 HydrophobicContact CB-CB 4.36Å; R94-F137 HydrophobicContact CB-CD1 4.22Å; R94-F137 HydrophobicContact CB-CG 4.5Å; R94-F137 WeakPolarHBondContact O-CB 3.3Å; R94-N301 PolarHBondContact NH2-OD1 3.48Å | ||
| 95 | S | 52.1 | Low | 78.7 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | trans | -133.5 | 113.5 | 154.2 | 79.5 | 0 | 0 | 0 | 0 | 109.1 | T98 K99 | S95-T98 WeakPolarHBondContact CB-O 3.3Å; S95-T98 PolarHBondContact OG-O 2.87Å; S95-K99 WeakPolarHBondContact OG-CA 3.4Å; S95-K99 WeakPolarHBondContact OG-CG 3.43Å; S95-K99 PolarHBondContact OG-N 3.22Å; S95-K99 VanDerWaalsContact OG-N 3.13Å | ||
| 96 | R | 48.9 | Very low | 78.8 | Confident | 170 Ų | 170 | 66.8 Ų | 66.8 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -80.1 | -25 | 175.4 | -87.1 | 178 | 166.2 | 164.8 | -1.5 | 113 | E134 | R96-E134 IonicContact NH1-OE1 3.53Š|
| 97 | R | 52.9 | Low | 78.9 | Confident | 139 Ų | 139 | 65.1 Ų | 65.1 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -112.2 | -47 | -166.9 | -61.5 | -174.4 | 179.1 | -154.8 | 4.4 | 113.1 | S488 | R97-S488 PolarHBondContact NH2-OG 3.42Š|
| 98 | T | 53.5 | Low | 79 | Confident | 70 Ų | 70 | 62 Ų | 62 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | trans | -151.1 | 121.6 | 178.1 | 45.7 | 0 | 0 | 0 | 0 | 108 | S95 P100 | S95-T98 WeakPolarHBondContact CB-O 3.3Å; S95-T98 PolarHBondContact OG-O 2.87Å; T98-P100 VanDerWaalsContact O-CD 3.27Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å; T98-P100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | K | 54.9 | Low | 79.2 | Confident | 185 Ų | 185 | 62 Ų | 62 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | trans | -58.2 | 118.3 | 169.1 | -77.6 | -175.3 | 177.4 | -172.6 | 0 | 107 | S95 A101 | S95-K99 WeakPolarHBondContact OG-CA 3.4Å; S95-K99 WeakPolarHBondContact OG-CG 3.43Å; S95-K99 PolarHBondContact OG-N 3.22Å; S95-K99 VanDerWaalsContact OG-N 3.13Å; K99-A101 PolarHBondContact O-N 2.96Å | ||
| 100 | P | 57 | Low | 79.5 | Confident | 26 Ų | 26 | 62 Ų | 62 | 17% | 0.169 | 30% | 0.3 | C | S | . | . | trans | -52.9 | 134 | 170.6 | 21.5 | -30.8 | 0 | 0 | 0 | 107.2 | A89 Q92 T98 R102 I103 | A89-P100 HydrophobicContact CB-CB 3.65Å; A89-P100 HydrophobicContact CB-CG 4.14Å; Q92-P100 HydrophobicContact CG-CG 4.35Å; T98-P100 VanDerWaalsContact O-CD 3.27Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å; T98-P100 VanDerWaalsContact O-N 3.08Å; P100-R102 PolarHBondContact O-N 3.25Å; P100-R102 VanDerWaalsContact O-N 3.1Å; P100-I103 HydrophobicContact CB-CG2 4.21Å; P100-I103 HydrophobicContact CG-CG2 3.52Å | ||
| 101 | A | 66.4 | Low | 79.6 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 84% | 0.835 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -58.2 | -31.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K99 | K99-A101 PolarHBondContact O-N 2.96Š|
| 102 | R | 87.2 | Confident | 79.8 | Confident | 147 Ų | 147 | 59.2 Ų | 59.2 | 56% | 0.555 | 29% | 0.289 | S | S | * | . | trans | -145.1 | 141.2 | 176.6 | -70.8 | 177.9 | -100.4 | 157.2 | -3.2 | 109.8 | P88 A89 P100 | P88-R102 WeakPolarHBondContact CA-O 3.43Å; P88-R102 HydrophobicContact CB-CB 4.02Å; P88-R102 HydrophobicContact CG-CB 4.15Å; A89-R102 PolarHBondContact N-O 2.04Å; P100-R102 PolarHBondContact O-N 3.25Å; P100-R102 VanDerWaalsContact O-N 3.1Å | ||
| 103 | I | 92.4 | Very high | 80.2 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.4 | 170.7 | 62.5 | 176 | 0 | 0 | 0 | 109.8 | A89 W91 Q92 P100 | A89-I103 HydrophobicContact CB-CG2 4.32Å; A89-I103 CarbonylContact O-C 3.53Å; A89-I103 VanDerWaalsContact O-CA 3.29Å; A89-I103 WeakPolarHBondContact O-CA 3.5Å; W91-I103 HydrophobicContact CD2-CD1 4.38Å; Q92-I103 HydrophobicContact CG-CG2 4.12Å; Q92-I103 WeakPolarHBondContact O-CD1 3.29Å; P100-I103 HydrophobicContact CB-CG2 4.21Å; P100-I103 HydrophobicContact CG-CG2 3.52Å |
| 104 | S | 95.6 | Very high | 81.4 | Confident | 34 Ų | 34 | 54.2 Ų | 54.2 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 159.5 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | A89 C90 W91 D106 C107 | A89-S104 PolarHBondContact O-N 3.39Å; C90-S104 CarbonylContact C-O 3.54Å; C90-S104 WeakPolarHBondContact CA-O 3.39Å; W91-S104 PolarHBondContact N-O 3.1Å; W91-S104 VanDerWaalsContact N-O 3.09Å; S104-D106 PolarHBondContact OG-N 2.66Å; S104-C107 WeakPolarHBondContact O-CB 3.27Å |
| 105 | E | 97 | Very high | 82.9 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.6 | -27.7 | 164.3 | -69.5 | 179.3 | 89.8 | 0 | 0 | 112.3 | P61 L62 R66 W91 C107 F169 A289 | P61-E105 VanDerWaalsContact CD-O 3.3Å; P61-E105 WeakPolarHBondContact CD-O 3.47Å; P61-E105 VanDerWaalsContact CG-O 3.24Å; P61-E105 WeakPolarHBondContact CG-O 3.29Å; L62-E105 HydrophobicContact CD2-CB 3.56Å; R66-E105 IonicContact CZ-OE1 2.86Å; R66-E105 IonicContact CZ-OE2 3.22Å; R66-E105 IonicContact NE-OE1 3.77Å; R66-E105 PolarHBondContact NE-OE1 2.89Å; R66-E105 IonicContact NE-OE2 3.37Å; R66-E105 IonicContact NH2-OE1 3.93Å; R66-E105 PolarHBondContact NH2-OE1 3.09Å; R66-E105 IonicContact NH2-OE2 2.71Å; R66-E105 PolarHBondContact NH2-OE2 3.27Å; W91-E105 HydrophobicContact CB-CG 4.18Å; W91-E105 HydrophobicContact CE3-CG 4.15Å; E105-C107 PolarHBondContact O-N 3.16Å; E105-F169 HydrophobicContact CG-CD1 4.11Å; E105-F169 HydrophobicContact CG-CE1 4.02Å; E105-F169 WeakPolarHBondContact OE1-CD1 3.39Å; E105-F169 WeakPolarHBondContact OE1-CE1 3.48Å; E105-A289 HydrophobicContact CG-CB 4.15Å; E105-A289 WeakPolarHBondContact OE2-CB 3.2Å |
| 106 | D | 97.8 | Very high | 84.9 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | trans | -72.9 | 84.3 | 165 | -179.8 | 14.8 | 0 | 0 | 0 | 108.7 | P60 L62 S104 Y109 | P60-D106 HydrophobicContact CB-CB 4.04Å; L62-D106 HydrophobicContact CD1-CB 4.49Å; S104-D106 PolarHBondContact OG-N 2.66Å; D106-Y109 VanDerWaalsContact CG-OH 3.26Å; D106-Y109 VanDerWaalsContact OD1-CE2 3.22Å; D106-Y109 WeakPolarHBondContact OD1-CE2 3.41Å; D106-Y109 PolarHBondContact OD1-OH 2.99Å; D106-Y109 PolarHBondContact OD2-OH 2.91Å | ||
| 107 | C | 97.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | trans | -137.7 | 3.1 | -170.8 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | C90 S104 E105 Y109 A163 | C90-C107 VanDerWaalsContact CA-CB 3.46Å; C90-C107 WeakPolarHBondContact CA-SG 3.39Å; C90-C107 HydrophobicContact CB-CB 3.8Å; C90-C107 WeakPolarHBondContact CB-SG 3.2Å; C90-C107 WeakPolarHBondContact SG-CB 3.35Å; C90-C107 CovalentContact SG-SG 2.03Å; C90-C107 PolarHBondContact SG-SG 3.21Å; S104-C107 WeakPolarHBondContact O-CB 3.27Å; E105-C107 PolarHBondContact O-N 3.16Å; C107-Y109 VanDerWaalsContact C-CD2 3.44Å; C107-Y109 PolarHBondContact O-N 3.18Å; C107-A163 VanDerWaalsContact O-CB 3.28Å; C107-A163 WeakPolarHBondContact O-CB 3.4Å | ||
| 108 | L | 98.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -79.5 | 67.5 | -177.3 | -56.6 | -172.2 | 0 | 0 | 0 | 111.9 | Y57 A58 P61 P70 R165 D187 | Y57-L108 WeakPolarHBondContact CD1-O 3.43Å; Y57-L108 HydrophobicContact CE1-CB 4.13Å; Y57-L108 WeakPolarHBondContact CE1-O 3.32Å; Y57-L108 HydrophobicContact CE2-CB 4.11Å; Y57-L108 PolarHBondContact N-O 3.31Å; Y57-L108 WeakPolarHBondContact OH-CD2 3.41Å; A58-L108 HydrophobicContact CB-CB 4.03Å; A58-L108 HydrophobicContact CB-CD1 3.72Å; P61-L108 HydrophobicContact CB-CD1 4.18Å; P61-L108 HydrophobicContact CG-CD1 3.9Å; P61-L108 HydrophobicContact CG-CD2 4.49Å; P61-L108 HydrophobicContact CG-CG 3.96Å; P70-L108 HydrophobicContact CB-CD1 4.12Å; L108-R165 HydrophobicContact CD2-CG 4.13Å; L108-D187 HydrophobicContact CD2-CB 4.12Å; L108-D187 WeakPolarHBondContact CD2-OD2 3.32Å | ||
| 109 | Y | 98.7 | Very high | 91.2 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 11% | 0.114 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 149.9 | -179.2 | -58.8 | -91.3 | 0 | 0 | 0 | 111.2 | G54 I55 P56 K87 D106 C107 A163 | G54-Y109 VanDerWaalsContact O-CD1 3.27Å; G54-Y109 WeakPolarHBondContact O-CD1 3.42Å; I55-Y109 CarbonylContact O-C 3.54Å; I55-Y109 VanDerWaalsContact O-CA 3.28Å; I55-Y109 WeakPolarHBondContact O-CA 3.14Å; P56-Y109 HydrophobicContact CB-CD1 3.85Å; P56-Y109 HydrophobicContact CB-CE1 3.7Å; P56-Y109 HydrophobicContact CG-CE1 4.33Å; K87-Y109 HydrophobicContact CB-CD1 4.28Å; K87-Y109 HydrophobicContact CB-CD2 3.54Å; K87-Y109 HydrophobicContact CB-CE2 4Å; K87-Y109 HydrophobicContact CB-CG 3.72Å; K87-Y109 HydrophobicContact CD-CD1 4.38Å; K87-Y109 HydrophobicContact CD-CE1 4.11Å; K87-Y109 HydrophobicContact CD-CE2 4.43Å; K87-Y109 HydrophobicContact CG-CD1 3.67Å; K87-Y109 HydrophobicContact CG-CD2 3.84Å; K87-Y109 HydrophobicContact CG-CE1 3.9Å; K87-Y109 HydrophobicContact CG-CE2 4.12Å; K87-Y109 HydrophobicContact CG-CG 3.65Å; D106-Y109 VanDerWaalsContact CG-OH 3.26Å; D106-Y109 VanDerWaalsContact OD1-CE2 3.22Å; D106-Y109 WeakPolarHBondContact OD1-CE2 3.41Å; D106-Y109 PolarHBondContact OD1-OH 2.99Å; D106-Y109 PolarHBondContact OD2-OH 2.91Å; C107-Y109 VanDerWaalsContact C-CD2 3.44Å; C107-Y109 PolarHBondContact O-N 3.18Å; Y109-A163 WeakPolarHBondContact O-CB 3.34Å; Y109-A163 PolarHBondContact O-N 2.93Å; Y109-A163 VanDerWaalsContact O-N 3.1Å |
| 110 | L | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 165.2 | 170 | 60.5 | 79.7 | 0 | 0 | 0 | 110.7 | G54 I55 Y57 V112 V160 T161 V162 A191 W194 I195 | G54-L110 PolarHBondContact N-O 3.45Å; I55-L110 HydrophobicContact CB-CD1 3.97Å; I55-L110 HydrophobicContact CD1-CD1 3.97Å; I55-L110 PolarHBondContact N-O 3.25Å; I55-L110 PolarHBondContact O-N 3.04Å; Y57-L110 HydrophobicContact CD1-CB 4.08Å; Y57-L110 HydrophobicContact CD1-CD2 3.89Å; Y57-L110 HydrophobicContact CD1-CG 4.01Å; Y57-L110 HydrophobicContact CG-CD2 4.13Å; L110-V112 HydrophobicContact CD1-CG2 3.83Å; L110-V160 HydrophobicContact CB-CG1 4.25Å; L110-V160 HydrophobicContact CD1-CG1 4.18Å; L110-T161 CarbonylContact C-O 3.6Å; L110-T161 VanDerWaalsContact CA-O 3.25Å; L110-T161 WeakPolarHBondContact CA-O 3.43Å; L110-T161 WeakPolarHBondContact CB-O 3.44Å; L110-V162 HydrophobicContact CB-CG2 4.18Å; L110-A191 HydrophobicContact CD2-CB 4.29Å; L110-W194 HydrophobicContact CD1-CE3 4.06Å; L110-W194 HydrophobicContact CD1-CH2 3.9Å; L110-W194 HydrophobicContact CD1-CZ3 3.63Å; L110-W194 HydrophobicContact CD2-CD2 3.95Å; L110-W194 HydrophobicContact CD2-CE3 3.52Å; L110-W194 HydrophobicContact CD2-CG 4.44Å; L110-W194 HydrophobicContact CD2-CZ3 3.98Å; L110-W194 HydrophobicContact CG-CE3 4.38Å; L110-W194 HydrophobicContact CG-CZ3 4.42Å; L110-I195 HydrophobicContact CD2-CD1 4.39Å; L110-I195 HydrophobicContact CD2-CG1 4.19Å |
| 111 | N | 98.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.5 | -179.8 | -41.3 | -83.1 | 0 | 0 | 0 | 109.1 | F52 L53 G54 Y86 F113 V160 T161 | F52-N111 CarbonylContact O-C 3.58Å; F52-N111 WeakPolarHBondContact O-CA 3.48Å; L53-N111 WeakPolarHBondContact CA-OD1 3.39Å; L53-N111 HydrophobicContact CD2-CB 3.86Å; G54-N111 PolarHBondContact N-OD1 3.2Å; Y86-N111 VanDerWaalsContact CD1-OD1 3.32Å; Y86-N111 WeakPolarHBondContact CD1-OD1 3.27Å; Y86-N111 HydrophobicContact CE1-CB 4.11Å; Y86-N111 VanDerWaalsContact CE1-CG 3.43Å; Y86-N111 WeakPolarHBondContact CE1-ND2 3.32Å; N111-F113 HydrophobicContact CB-CE2 3.83Å; N111-F113 HydrophobicContact CB-CZ 3.92Å; N111-V160 CarbonylContact O-C 3.58Å; N111-V160 VanDerWaalsContact O-CA 3.23Å; N111-V160 WeakPolarHBondContact O-CA 3.44Å; N111-V160 WeakPolarHBondContact O-CG1 3.23Å; N111-T161 WeakPolarHBondContact CB-OG1 3.44Å; N111-T161 PolarHBondContact N-O 3.08Å; N111-T161 PolarHBondContact ND2-O 2.9Å; N111-T161 PolarHBondContact ND2-OG1 3.1Å; N111-T161 PolarHBondContact O-N 3.19Å |
| 112 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.5 | -177.2 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | F52 I55 L110 I158 V160 I199 F202 | F52-V112 PolarHBondContact N-O 3.14Å; F52-V112 PolarHBondContact O-N 2.95Å; I55-V112 HydrophobicContact CD1-CB 4.31Å; I55-V112 HydrophobicContact CD1-CG2 3.8Å; L110-V112 HydrophobicContact CD1-CG2 3.83Å; V112-I158 HydrophobicContact CG1-CG2 3.84Å; V112-V160 HydrophobicContact CG2-CG1 4.38Å; V112-V160 HydrophobicContact CG2-CG2 4.22Å; V112-I199 HydrophobicContact CG1-CD1 4.22Å; V112-I199 HydrophobicContact CG2-CD1 4.38Å; V112-F202 HydrophobicContact CB-CD1 4.17Å; V112-F202 HydrophobicContact CB-CE1 4.17Å; V112-F202 HydrophobicContact CG1-CB 4.16Å; V112-F202 HydrophobicContact CG1-CD1 3.68Å; V112-F202 HydrophobicContact CG1-CE1 4.18Å; V112-F202 HydrophobicContact CG1-CG 3.91Å; V112-F202 HydrophobicContact CG2-CE1 4.32Å; V112-F202 HydrophobicContact CG2-CZ 4.36Å |
| 113 | F | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114.6 | 175.8 | -50.9 | -89.9 | 0 | 0 | 0 | 108.1 | T51 L53 Y86 N111 P145 I148 H149 I158 F159 T161 | T51-F113 HydrophobicContact CG2-CD1 3.89Å; T51-F113 HydrophobicContact CG2-CE1 3.69Å; L53-F113 HydrophobicContact CD2-CE1 3.71Å; L53-F113 HydrophobicContact CD2-CZ 3.6Å; Y86-F113 HydrophobicContact CE1-CZ 4.45Å; Y86-F113 VanDerWaalsContact OH-CZ 3.29Å; Y86-F113 WeakPolarHBondContact OH-CZ 3.16Å; N111-F113 HydrophobicContact CB-CE2 3.83Å; N111-F113 HydrophobicContact CB-CZ 3.92Å; F113-P145 HydrophobicContact CD1-CB 4.35Å; F113-P145 HydrophobicContact CE1-CB 3.73Å; F113-P145 HydrophobicContact CE1-CG 4.08Å; F113-I148 HydrophobicContact CB-CG2 3.73Å; F113-I148 HydrophobicContact CD1-CB 4.4Å; F113-I148 HydrophobicContact CD1-CG2 4.2Å; F113-I148 HydrophobicContact CD2-CB 4.48Å; F113-I148 HydrophobicContact CD2-CD1 4.02Å; F113-I148 HydrophobicContact CD2-CG2 3.71Å; F113-I148 HydrophobicContact CE1-CD1 4.29Å; F113-I148 HydrophobicContact CE2-CD1 3.67Å; F113-I148 HydrophobicContact CE2-CG2 4.44Å; F113-I148 HydrophobicContact CG-CB 4.27Å; F113-I148 HydrophobicContact CG-CG2 3.6Å; F113-I148 HydrophobicContact CZ-CD1 3.84Å; F113-H149 AromaticContact CD1-NE2 3.82Å; F113-I158 WeakPolarHBondContact O-CA 3.46Å; F113-F159 HydrophobicContact CB-CB 4.42Å; F113-F159 HydrophobicContact CD2-CB 4.49Å; F113-F159 VanDerWaalsContact CD2-O 3.32Å; F113-F159 WeakPolarHBondContact CD2-O 3.25Å; F113-F159 PolarHBondContact N-O 3.22Å; F113-F159 PolarHBondContact O-N 2.96Å; F113-T161 HydrophobicContact CE2-CG2 4.29Å |
| 114 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G49 R50 I158 | G49-A114 CarbonylContact C-O 3.56Å; G49-A114 WeakPolarHBondContact CA-O 3.03Å; R50-A114 PolarHBondContact N-O 3.19Å; R50-A114 PolarHBondContact O-N 3.35Å; A114-I158 HydrophobicContact CB-CD1 3.88Å; A114-I158 HydrophobicContact CB-CG1 3.92Å |
| 115 | G | 96.3 | Very high | 97 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 164.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N117 C118 A153 | G115-N117 VanDerWaalsContact C-N 3.27Å; G115-N117 PolarHBondContact O-N 2.83Å; G115-C118 PolarHBondContact O-N 3.42Å; G115-A153 VanDerWaalsContact CA-O 3.26Å; G115-A153 WeakPolarHBondContact CA-O 3.26Å |
| 116 | N | 94.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -33.8 | 179.2 | -71.8 | -24.6 | 0 | 0 | 0 | 113.9 | V47 V48 G49 C118 | V47-N116 PolarHBondContact O-ND2 3.06Å; V48-N116 VanDerWaalsContact C-CG 3.49Å; V48-N116 PolarHBondContact O-N 2.88Å; V48-N116 VanDerWaalsContact O-N 3.14Å; G49-N116 VanDerWaalsContact CA-OD1 3.29Å; G49-N116 WeakPolarHBondContact CA-OD1 3.1Å; G49-N116 PolarHBondContact N-OD1 2.9Å; N116-C118 VanDerWaalsContact C-N 3.27Å; N116-C118 PolarHBondContact O-N 3.43Å |
| 117 | N | 95.7 | Very high | 97.1 | Very high | 94 Ų | 94 | 31.2 Ų | 31.2 | 50% | 0.503 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.9 | -177.5 | -60 | -20.2 | 0 | 0 | 0 | 112.6 | G115 T119 D156 | G115-N117 VanDerWaalsContact C-N 3.27Å; G115-N117 PolarHBondContact O-N 2.83Å; N117-T119 PolarHBondContact O-N 2.86Å; N117-D156 WeakPolarHBondContact CB-OD1 3.3Å; N117-D156 PolarHBondContact ND2-OD1 3.41Å |
| 118 | C | 96.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | trans | -75.5 | 100.2 | 179.1 | -58 | 0 | 0 | 0 | 0 | 110.1 | G115 N116 C124 I158 | G115-C118 PolarHBondContact O-N 3.42Å; N116-C118 VanDerWaalsContact C-N 3.27Å; N116-C118 PolarHBondContact O-N 3.43Å; C118-C124 WeakPolarHBondContact CA-SG 3.49Å; C118-C124 HydrophobicContact CB-CB 3.78Å; C118-C124 WeakPolarHBondContact CB-SG 3.4Å; C118-C124 WeakPolarHBondContact SG-CB 3.49Å; C118-C124 CovalentContact SG-SG 2.04Å; C118-C124 PolarHBondContact SG-SG 3.3Å; C118-I158 HydrophobicContact CB-CD1 4.19Å; C118-I158 HydrophobicContact CB-CG1 4.16Å | ||
| 119 | T | 94.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | trans | -126.3 | 169.3 | -174.1 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | N117 S121 E122 P123 | N117-T119 PolarHBondContact O-N 2.86Å; T119-S121 PolarHBondContact O-N 2.68Å; T119-S121 PolarHBondContact OG1-OG 3.47Å; T119-S121 VanDerWaalsContact OG1-OG 3.1Å; T119-E122 PolarHBondContact N-O 3.37Å; T119-E122 CarbonylContact O-C 3.59Å; T119-E122 PolarHBondContact O-N 3.03Å; T119-E122 PolarHBondContact OG1-N 3.03Å; T119-E122 VanDerWaalsContact OG1-N 3.13Å; T119-P123 WeakPolarHBondContact O-CA 3.43Å | ||
| 120 | A | 91.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 29.8 Ų | 29.8 | 79% | 0.785 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -65.1 | -28.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 121 | S | 94 | Very high | 97 | Very high | 103 Ų | 103 | 30 Ų | 30 | 72% | 0.72 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -81.2 | -29.7 | 176.2 | 44 | 0 | 0 | 0 | 0 | 113.1 | T119 | T119-S121 PolarHBondContact O-N 2.68Å; T119-S121 PolarHBondContact OG1-OG 3.47Å; T119-S121 VanDerWaalsContact OG1-OG 3.1Å |
| 122 | E | 94.8 | Very high | 96.8 | Very high | 135 Ų | 135 | 30 Ų | 30 | 63% | 0.631 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -128.6 | 75.8 | -179.4 | -63.2 | -178.2 | 166.2 | 0 | 0 | 108.9 | T119 | T119-E122 PolarHBondContact N-O 3.37Å; T119-E122 CarbonylContact O-C 3.59Å; T119-E122 PolarHBondContact O-N 3.03Å; T119-E122 PolarHBondContact OG1-N 3.03Å; T119-E122 VanDerWaalsContact OG1-N 3.13Å |
| 123 | P | 97.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 30.2 Ų | 30.2 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 131.5 | -173.3 | 30.6 | -36 | 0 | 0 | 0 | 111.9 | T119 G203 D205 R208 | T119-P123 WeakPolarHBondContact O-CA 3.43Å; P123-G203 CarbonylContact C-O 3.55Å; P123-G203 VanDerWaalsContact CA-O 3.3Å; P123-G203 WeakPolarHBondContact CA-O 3.34Å; P123-D205 HydrophobicContact CB-CB 3.96Å; P123-D205 HydrophobicContact CG-CB 4.37Å; P123-R208 PolarHBondContact O-NH2 2.98Å |
| 124 | C | 98.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 148.9 | -177.7 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | C118 D156 I158 G203 G204 D205 | C118-C124 WeakPolarHBondContact CA-SG 3.49Å; C118-C124 HydrophobicContact CB-CB 3.78Å; C118-C124 WeakPolarHBondContact CB-SG 3.4Å; C118-C124 WeakPolarHBondContact SG-CB 3.49Å; C118-C124 CovalentContact SG-SG 2.04Å; C118-C124 PolarHBondContact SG-SG 3.3Å; C124-D156 VanDerWaalsContact CB-O 3.29Å; C124-D156 WeakPolarHBondContact CB-O 3.14Å; C124-D156 PolarHBondContact SG-O 3.14Å; C124-I158 HydrophobicContact CB-CG1 4.06Å; C124-G203 PolarHBondContact N-O 3.27Å; C124-G204 CarbonylContact O-C 3.6Å; C124-G204 WeakPolarHBondContact O-CA 3.31Å; C124-D205 WeakPolarHBondContact O-CB 3.48Å; C124-D205 PolarHBondContact O-N 3.07Å |
| 125 | P | 98.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 153.2 | 168.2 | 29.9 | -37 | 0 | 0 | 0 | 111.6 | D156 V157 I158 R208 V521 K522 | P125-D156 WeakPolarHBondContact CD-O 3.32Å; P125-V157 HydrophobicContact CG-CG2 4.24Å; P125-I158 PolarHBondContact O-N 3.18Å; P125-R208 HydrophobicContact CB-CB 4.17Å; P125-V521 HydrophobicContact CB-CG1 3.96Å; P125-V521 HydrophobicContact CG-CG1 4.13Å; P125-K522 HydrophobicContact CG-CG 4.03Å |
| 126 | V | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.7 | -172.2 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | I158 V160 I195 I199 R208 V209 T210 | V126-I158 CarbonylContact C-O 3.52Å; V126-I158 WeakPolarHBondContact CA-O 3.33Å; V126-I158 HydrophobicContact CG1-CG2 4.48Å; V126-I158 HydrophobicContact CG2-CB 4.35Å; V126-V160 HydrophobicContact CG1-CG2 3.95Å; V126-I195 HydrophobicContact CG1-CG2 4.13Å; V126-I199 HydrophobicContact CG1-CD1 4.42Å; V126-I199 HydrophobicContact CG1-CG1 4Å; V126-I199 HydrophobicContact CG2-CG1 3.69Å; V126-I199 HydrophobicContact CG2-CG2 4.16Å; V126-R208 PolarHBondContact N-O 3.23Å; V126-V209 HydrophobicContact CB-CG2 4.34Å; V126-V209 WeakPolarHBondContact O-CA 3.24Å; V126-T210 PolarHBondContact O-N 3.32Å |
| 127 | V | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.7 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | V157 I158 F159 V160 T210 M212 V521 | V127-V157 HydrophobicContact CB-CG1 4.4Å; V127-V157 HydrophobicContact CG2-CG1 3.66Å; V127-I158 PolarHBondContact N-O 3.05Å; V127-F159 HydrophobicContact CB-CD2 3.76Å; V127-F159 HydrophobicContact CB-CE2 3.99Å; V127-F159 HydrophobicContact CG1-CD2 3.83Å; V127-F159 HydrophobicContact CG1-CE2 3.51Å; V127-F159 HydrophobicContact CG1-CZ 4.18Å; V127-F159 HydrophobicContact CG2-CD2 4.44Å; V127-V160 PolarHBondContact O-N 2.9Å; V127-T210 CarbonylContact C-O 3.53Å; V127-T210 WeakPolarHBondContact CA-O 3.38Å; V127-M212 HydrophobicContact CG1-CB 3.7Å; V127-M212 HydrophobicContact CG1-CG 4.46Å; V127-M212 HydrophobicContact CG1-SD 3.93Å; V127-V521 HydrophobicContact CG2-CB 4.27Å; V127-V521 HydrophobicContact CG2-CG1 3.66Å; V127-V521 HydrophobicContact CG2-CG2 3.53Å |
| 128 | I | 98.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 110.5 | 170.5 | -47.8 | 179.1 | 0 | 0 | 0 | 107.4 | I130 V162 M192 I195 V209 T210 L211 M212 | I128-I130 HydrophobicContact CG2-CD1 4.1Å; I128-V162 HydrophobicContact CG2-CG2 3.76Å; I128-M192 HydrophobicContact CD1-CB 4.48Å; I128-M192 HydrophobicContact CD1-CG 3.97Å; I128-I195 HydrophobicContact CB-CD1 4.37Å; I128-I195 HydrophobicContact CD1-CB 4.3Å; I128-I195 HydrophobicContact CD1-CD1 3.53Å; I128-I195 HydrophobicContact CD1-CG2 4.05Å; I128-I195 HydrophobicContact CG1-CD1 3.7Å; I128-I195 HydrophobicContact CG1-CG2 4.4Å; I128-I195 HydrophobicContact CG2-CD1 3.85Å; I128-V209 HydrophobicContact CD1-CG1 3.4Å; I128-V209 VanDerWaalsContact CD1-CG1 3.4Å; I128-V209 HydrophobicContact CG1-CG1 3.82Å; I128-T210 PolarHBondContact N-O 3.05Å; I128-L211 HydrophobicContact CB-CD1 3.78Å; I128-L211 HydrophobicContact CG2-CD1 3.89Å; I128-M212 PolarHBondContact O-N 3.48Å; I128-M212 VanDerWaalsContact O-O 3.09Å |
| 129 | F | 98.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.7 | -178 | -172.8 | -93.9 | 0 | 0 | 0 | 112.3 | H131 F143 F159 V160 T161 V162 M212 H214 L491 L495 | F129-H131 HydrophobicContact CE1-CB 4.18Å; F129-F143 AromaticContact CD1-CE2 3.94Å; F129-F143 HydrophobicContact CD1-CE2 3.94Å; F129-F143 HydrophobicContact CD1-CZ 4.07Å; F129-F143 HydrophobicContact CE1-CE1 4.27Å; F129-F143 AromaticContact CE1-CE2 3.7Å; F129-F143 HydrophobicContact CE1-CE2 3.7Å; F129-F143 AromaticContact CE1-CZ 3.38Å; F129-F143 HydrophobicContact CE1-CZ 3.38Å; F129-F143 HydrophobicContact CZ-CZ 4.15Å; F129-F159 HydrophobicContact CB-CD1 4.44Å; F129-F159 HydrophobicContact CB-CE1 3.44Å; F129-F159 VanDerWaalsContact CB-CE1 3.44Å; F129-F159 HydrophobicContact CB-CE2 4.47Å; F129-F159 HydrophobicContact CB-CZ 3.47Å; F129-F159 VanDerWaalsContact CB-CZ 3.47Å; F129-F159 AromaticContact CD2-CZ 3.88Å; F129-F159 HydrophobicContact CD2-CZ 3.88Å; F129-F159 AromaticContact CG-CE1 3.95Å; F129-F159 HydrophobicContact CG-CE1 3.95Å; F129-F159 AromaticContact CG-CZ 3.77Å; F129-F159 HydrophobicContact CG-CZ 3.77Å; F129-V160 PolarHBondContact N-O 3.47Å; F129-T161 HydrophobicContact CB-CG2 4.4Å; F129-V162 PolarHBondContact O-N 3.07Å; F129-M212 CarbonylContact C-O 3.57Å; F129-M212 VanDerWaalsContact CA-O 3.31Å; F129-M212 WeakPolarHBondContact CA-O 3.47Å; F129-M212 HydrophobicContact CD2-CB 4.22Å; F129-M212 HydrophobicContact CD2-CE 4.44Å; F129-M212 HydrophobicContact CD2-CG 3.76Å; F129-M212 HydrophobicContact CD2-SD 4Å; F129-M212 HydrophobicContact CE2-CE 4.35Å; F129-M212 HydrophobicContact CE2-CG 4.15Å; F129-M212 HydrophobicContact CE2-SD 4.47Å; F129-H214 HydrophobicContact CZ-CB 4.27Å; F129-L491 HydrophobicContact CE2-CD2 4.22Å; F129-L491 HydrophobicContact CZ-CD1 4.32Å; F129-L491 HydrophobicContact CZ-CD2 4.13Å; F129-L495 HydrophobicContact CD1-CD1 4.17Å; F129-L495 HydrophobicContact CD2-CD1 4.02Å; F129-L495 HydrophobicContact CE1-CD1 3.75Å; F129-L495 HydrophobicContact CE2-CD1 3.58Å; F129-L495 HydrophobicContact CG-CD1 4.3Å; F129-L495 HydrophobicContact CZ-CD1 3.43Å; F129-L495 VanDerWaalsContact CZ-CD1 3.43Å |
| 130 | I | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114 | 176.3 | -49 | -52.7 | 0 | 0 | 0 | 109 | I128 V162 Y164 I188 L211 M212 G213 H214 A220 V221 | I128-I130 HydrophobicContact CG2-CD1 4.1Å; I130-V162 HydrophobicContact CD1-CB 4.13Å; I130-V162 HydrophobicContact CD1-CG2 4.47Å; I130-Y164 HydrophobicContact CG2-CD1 4.28Å; I130-Y164 HydrophobicContact CG2-CE1 3.69Å; I130-I188 HydrophobicContact CD1-CD1 4.43Å; I130-I188 HydrophobicContact CD1-CG1 4.19Å; I130-I188 HydrophobicContact CD1-CG2 3.65Å; I130-I188 HydrophobicContact CG1-CG2 4.23Å; I130-I188 HydrophobicContact CG2-CD1 3.71Å; I130-I188 HydrophobicContact CG2-CG1 4.48Å; I130-L211 HydrophobicContact CD1-CD1 4.11Å; I130-L211 HydrophobicContact CG1-CD1 3.81Å; I130-M212 PolarHBondContact N-O 3.08Å; I130-G213 WeakPolarHBondContact O-CA 3.47Å; I130-H214 PolarHBondContact O-N 2.56Å; I130-A220 HydrophobicContact CG2-CB 4.37Å; I130-V221 HydrophobicContact CB-CG2 4.3Å; I130-V221 HydrophobicContact CG1-CG2 4.06Å |
| 131 | H | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | trans | -69.8 | 160.5 | -178.1 | 68.1 | 82.8 | 0 | 0 | 0 | 112.7 | F129 D138 F143 Y164 G217 | F129-H131 HydrophobicContact CE1-CB 4.18Å; H131-D138 PolarHBondContact CE1-O 3.37Å; H131-F143 HydrophobicContact CB-CE2 4.35Å; H131-Y164 AromaticContact CD2-CE1 3.77Å; H131-Y164 AromaticContact CE1-CE1 3.7Å; H131-Y164 AromaticContact NE2-CD1 3.87Å; H131-Y164 AromaticContact NE2-CE1 3.5Å; H131-Y164 PolarHBondContact O-OH 3.12Å; H131-Y164 VanDerWaalsContact O-OH 3.06Å; H131-G217 VanDerWaalsContact O-CA 3.23Å; H131-G217 WeakPolarHBondContact O-CA 3.37Å; H131-G217 PolarHBondContact O-N 3.35Å | ||
| 132 | G | 93.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | trans | -82.5 | -153.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H214 S216 | G132-H214 WeakPolarHBondContact CA-O 3.09Å; G132-H214 PolarHBondContact N-O 3.3Å; G132-S216 VanDerWaalsContact C-OG 3.24Å; G132-S216 WeakPolarHBondContact CA-OG 3.39Å | ||
| 133 | G | 90.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 109.9 | 34 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | F135 D136 F137 D138 S216 | G133-F135 PolarHBondContact O-N 3.3Å; G133-D136 PolarHBondContact O-N 3.43Å; G133-F137 VanDerWaalsContact CA-CE2 3.48Å; G133-F137 WeakPolarHBondContact CA-O 3.43Å; G133-F137 VanDerWaalsContact O-CD1 3.26Å; G133-F137 WeakPolarHBondContact O-CD1 3.37Å; G133-F137 WeakPolarHBondContact O-CE1 3.25Å; G133-F137 WeakPolarHBondContact O-CG 3.4Å; G133-F137 PolarHBondContact O-N 2.62Å; G133-D138 WeakPolarHBondContact CA-OD2 3.2Å; G133-S216 PolarHBondContact N-OG 2.93Å; G133-S216 VanDerWaalsContact N-OG 3.14Å |
| 134 | E | 89.7 | Confident | 94.4 | Very high | 70 Ų | 70 | 16 Ų | 16 | 33% | 0.327 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 20.5 | 176.1 | -58 | 177 | -158.8 | 0 | 0 | 114.1 | R96 D136 F137 S216 | R96-E134 IonicContact NH1-OE1 3.53Å; E134-D136 PolarHBondContact O-N 2.98Å; E134-F137 HydrophobicContact CB-CE1 3.86Å; E134-F137 HydrophobicContact CB-CZ 4.29Å; E134-F137 HydrophobicContact CG-CE1 3.87Å; E134-F137 HydrophobicContact CG-CZ 3.9Å; E134-S216 PolarHBondContact N-OG 3.08Å |
| 135 | F | 93.1 | Very high | 94.3 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.026 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 9 | -167 | -58.5 | -76.7 | 0 | 0 | 0 | 115.1 | G133 Y164 L166 G167 F171 S216 A220 P340 | G133-F135 PolarHBondContact O-N 3.3Å; F135-Y164 HydrophobicContact CD1-CE2 4.42Å; F135-L166 CarbonylContact O-C 3.52Å; F135-L166 VanDerWaalsContact O-CA 3.3Å; F135-L166 WeakPolarHBondContact O-CA 3.28Å; F135-L166 WeakPolarHBondContact O-CB 3.06Å; F135-L166 WeakPolarHBondContact O-CD2 3.45Å; F135-G167 PolarHBondContact O-N 2.66Å; F135-F171 HydrophobicContact CB-CD2 4.25Å; F135-F171 HydrophobicContact CB-CE2 3.68Å; F135-F171 HydrophobicContact CB-CZ 4.19Å; F135-F171 AromaticContact CD1-CE2 3.97Å; F135-F171 HydrophobicContact CD1-CE2 3.97Å; F135-F171 AromaticContact CD1-CZ 3.63Å; F135-F171 HydrophobicContact CD1-CZ 3.63Å; F135-F171 HydrophobicContact CE1-CZ 4.31Å; F135-F171 HydrophobicContact CG-CE2 4.15Å; F135-F171 HydrophobicContact CG-CZ 4.16Å; F135-S216 WeakPolarHBondContact CE1-O 3.31Å; F135-S216 WeakPolarHBondContact CZ-O 3.12Å; F135-S216 PolarHBondContact N-OG 3.32Å; F135-A220 HydrophobicContact CE1-CB 3.92Å; F135-A220 HydrophobicContact CZ-CB 4.3Å; F135-P340 HydrophobicContact CE1-CG 3.97Å; F135-P340 HydrophobicContact CE2-CG 4.31Å; F135-P340 HydrophobicContact CZ-CG 3.83Å |
| 136 | D | 90.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.043 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -25.9 | -173.2 | -84.7 | -31.5 | 0 | 0 | 0 | 114.3 | Q92 G133 E134 G167 Y296 Q300 T338 | Q92-D136 WeakPolarHBondContact CB-O 3.32Å; G133-D136 PolarHBondContact O-N 3.43Å; E134-D136 PolarHBondContact O-N 2.98Å; D136-G167 WeakPolarHBondContact OD1-CA 3.38Å; D136-Y296 PolarHBondContact OD1-OH 3.29Å; D136-Y296 PolarHBondContact OD2-OH 2.84Å; D136-Q300 PolarHBondContact OD2-NE2 3.22Å; D136-T338 PolarHBondContact OD1-OG1 2.61Å; D136-T338 PolarHBondContact OD2-OG1 2.84Å |
| 137 | F | 90.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 7% | 0.07 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -149.1 | -171.9 | -173.2 | 57.8 | -94.4 | 0 | 0 | 0 | 112.7 | R94 G133 E134 | R94-F137 HydrophobicContact CB-CB 4.36Å; R94-F137 HydrophobicContact CB-CD1 4.22Å; R94-F137 HydrophobicContact CB-CG 4.5Å; R94-F137 WeakPolarHBondContact O-CB 3.3Å; G133-F137 VanDerWaalsContact CA-CE2 3.48Å; G133-F137 WeakPolarHBondContact CA-O 3.43Å; G133-F137 VanDerWaalsContact O-CD1 3.26Å; G133-F137 WeakPolarHBondContact O-CD1 3.37Å; G133-F137 WeakPolarHBondContact O-CE1 3.25Å; G133-F137 WeakPolarHBondContact O-CG 3.4Å; G133-F137 PolarHBondContact O-N 2.62Å; E134-F137 HydrophobicContact CB-CE1 3.86Å; E134-F137 HydrophobicContact CB-CZ 4.29Å; E134-F137 HydrophobicContact CG-CE1 3.87Å; E134-F137 HydrophobicContact CG-CZ 3.9Å |
| 138 | D | 91.7 | Very high | 93.9 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 13% | 0.128 | 12% | 0.118 | C | C | . | . | trans | 71.6 | 174.6 | -171.7 | -64.2 | -27.8 | 0 | 0 | 0 | 113.4 | Q92 H131 G133 M142 | Q92-D138 PolarHBondContact NE2-O 3.41Å; H131-D138 PolarHBondContact CE1-O 3.37Å; G133-D138 WeakPolarHBondContact CA-OD2 3.2Å; D138-M142 HydrophobicContact CB-SD 4.03Å | ||
| 139 | S | 93.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | trans | -169.3 | 152.6 | -172.3 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | A89 S141 M142 | A89-S139 VanDerWaalsContact CB-CB 3.46Å; A89-S139 WeakPolarHBondContact CB-OG 3.38Å; S139-S141 WeakPolarHBondContact CB-OG 3.42Å; S139-S141 PolarHBondContact O-N 3.41Å; S139-S141 VanDerWaalsContact O-N 3.08Å; S139-S141 PolarHBondContact OG-N 2.99Å; S139-S141 PolarHBondContact OG-OG 3.44Å; S139-M142 WeakPolarHBondContact O-CG 3.41Å; S139-M142 PolarHBondContact O-N 2.81Å; S139-M142 VanDerWaalsContact O-SD 3.38Å | ||
| 140 | P | 94.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -53.7 | -26 | 168.3 | -29.8 | 39.5 | 0 | 0 | 0 | 115.3 | Y86 M142 F143 V162 A163 | Y86-P140 HydrophobicContact CE1-CB 4.4Å; P140-M142 PolarHBondContact O-N 3.13Å; P140-M142 VanDerWaalsContact O-N 3.1Å; P140-F143 VanDerWaalsContact O-CD2 3.32Å; P140-F143 WeakPolarHBondContact O-CD2 3.34Å; P140-F143 PolarHBondContact O-N 3.18Å; P140-F143 VanDerWaalsContact O-N 3.16Å; P140-V162 VanDerWaalsContact CG-C 3.43Å; P140-V162 WeakPolarHBondContact CG-O 3.46Å; P140-A163 HydrophobicContact CG-CB 3.96Å |
| 141 | S | 91.4 | Very high | 93.6 | Very high | 43 Ų | 43 | 25.9 Ų | 25.9 | 30% | 0.301 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -66.7 | -7.8 | -179.3 | 61.1 | 0 | 0 | 0 | 0 | 114.4 | S139 F143 | S139-S141 WeakPolarHBondContact CB-OG 3.42Å; S139-S141 PolarHBondContact O-N 3.41Å; S139-S141 VanDerWaalsContact O-N 3.08Å; S139-S141 PolarHBondContact OG-N 2.99Å; S139-S141 PolarHBondContact OG-OG 3.44Å; S141-F143 VanDerWaalsContact C-N 3.33Å |
| 142 | M | 90.2 | Very high | 93.7 | Very high | 49 Ų | 49 | 25.7 Ų | 25.7 | 24% | 0.241 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -79.5 | -15.3 | 174.2 | 74.7 | -165 | -105.1 | 0 | 0 | 113.7 | D138 S139 P140 L497 | D138-M142 HydrophobicContact CB-SD 4.03Å; S139-M142 WeakPolarHBondContact O-CG 3.41Å; S139-M142 PolarHBondContact O-N 2.81Å; S139-M142 VanDerWaalsContact O-SD 3.38Å; P140-M142 PolarHBondContact O-N 3.13Å; P140-M142 VanDerWaalsContact O-N 3.1Å; M142-L497 HydrophobicContact CE-CD1 3.3Å; M142-L497 HydrophobicContact CE-CD2 3.48Å; M142-L497 VanDerWaalsContact CE-CD2 3.48Å; M142-L497 HydrophobicContact CE-CG 4.02Å; M142-L497 HydrophobicContact CG-CD2 4.09Å |
| 143 | F | 92.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -89.5 | 136.7 | -178.6 | -57.4 | -64 | 0 | 0 | 0 | 110.9 | Y86 F129 H131 P140 S141 P145 I148 T161 L495 L497 | Y86-F143 PolarHBondContact OH-O 2.84Å; F129-F143 AromaticContact CD1-CE2 3.94Å; F129-F143 HydrophobicContact CD1-CE2 3.94Å; F129-F143 HydrophobicContact CD1-CZ 4.07Å; F129-F143 HydrophobicContact CE1-CE1 4.27Å; F129-F143 AromaticContact CE1-CE2 3.7Å; F129-F143 HydrophobicContact CE1-CE2 3.7Å; F129-F143 AromaticContact CE1-CZ 3.38Å; F129-F143 HydrophobicContact CE1-CZ 3.38Å; F129-F143 HydrophobicContact CZ-CZ 4.15Å; H131-F143 HydrophobicContact CB-CE2 4.35Å; P140-F143 VanDerWaalsContact O-CD2 3.32Å; P140-F143 WeakPolarHBondContact O-CD2 3.34Å; P140-F143 PolarHBondContact O-N 3.18Å; P140-F143 VanDerWaalsContact O-N 3.16Å; S141-F143 VanDerWaalsContact C-N 3.33Å; F143-P145 WeakPolarHBondContact O-CD 3.46Å; F143-I148 HydrophobicContact CB-CD1 3.81Å; F143-I148 HydrophobicContact CB-CG1 4.49Å; F143-T161 HydrophobicContact CD2-CG2 4.15Å; F143-L495 HydrophobicContact CD1-CB 3.78Å; F143-L495 HydrophobicContact CD1-CD1 4.02Å; F143-L495 HydrophobicContact CD1-CG 4.44Å; F143-L495 HydrophobicContact CE1-CB 3.85Å; F143-L495 HydrophobicContact CE1-CD1 3.52Å; F143-L495 HydrophobicContact CE1-CG 4.31Å; F143-L495 HydrophobicContact CZ-CD1 3.99Å; F143-L497 HydrophobicContact CD1-CD2 3.72Å; F143-L497 HydrophobicContact CD1-CG 4.28Å; F143-L497 HydrophobicContact CE1-CD1 3.93Å; F143-L497 HydrophobicContact CE1-CD2 3.72Å; F143-L497 HydrophobicContact CE1-CG 3.98Å |
| 144 | D | 93.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 29.7 Ų | 29.7 | 41% | 0.412 | 16% | 0.156 | S | C | . | . | trans | -78.9 | 120.2 | 173.8 | -173.4 | -22.7 | 0 | 0 | 0 | 109.7 | N146 V147 I148 | D144-N146 PolarHBondContact O-N 2.92Å; D144-N146 WeakPolarHBondContact OD1-CB 3.4Å; D144-N146 PolarHBondContact OD1-N 2.9Å; D144-V147 HydrophobicContact CB-CB 4.24Å; D144-V147 HydrophobicContact CB-CG2 3.9Å; D144-V147 PolarHBondContact O-N 2.9Å; D144-I148 PolarHBondContact O-N 3Å; D144-I148 VanDerWaalsContact O-N 3.16Å | ||
| 145 | P | 95.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 17% | 0.169 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.3 | -39 | 174 | -32 | 39.8 | 0 | 0 | 0 | 114.1 | L53 Y86 F113 F143 I148 H149 | L53-P145 HydrophobicContact CD1-CG 4.44Å; Y86-P145 HydrophobicContact CE2-CG 3.73Å; F113-P145 HydrophobicContact CD1-CB 4.35Å; F113-P145 HydrophobicContact CE1-CB 3.73Å; F113-P145 HydrophobicContact CE1-CG 4.08Å; F143-P145 WeakPolarHBondContact O-CD 3.46Å; P145-I148 PolarHBondContact O-N 3.08Å; P145-H149 PolarHBondContact O-CD2 3.45Å; P145-H149 PolarHBondContact O-N 2.92Å |
| 146 | N | 94.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 33.2 Ų | 33.2 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.1 | -41.6 | -177.5 | -68.4 | -30.4 | 0 | 0 | 0 | 111.1 | I43 D144 I148 H149 E150 | I43-N146 HydrophobicContact CD1-CB 4.3Å; D144-N146 PolarHBondContact O-N 2.92Å; D144-N146 WeakPolarHBondContact OD1-CB 3.4Å; D144-N146 PolarHBondContact OD1-N 2.9Å; N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 2.76Å; N146-H149 PolarHBondContact O-N 3.11Å; N146-H149 VanDerWaalsContact O-N 3.16Å; N146-E150 WeakPolarHBondContact O-CG 3.47Å; N146-E150 PolarHBondContact O-N 3.42Å |
| 147 | V | 95.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 13% | 0.133 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 176.2 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | D144 H149 E150 N151 | D144-V147 HydrophobicContact CB-CB 4.24Å; D144-V147 HydrophobicContact CB-CG2 3.9Å; D144-V147 PolarHBondContact O-N 2.9Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.6Å; V147-E150 PolarHBondContact O-N 2.84Å; V147-N151 VanDerWaalsContact CG1-ND2 3.34Å; V147-N151 WeakPolarHBondContact CG1-ND2 3.47Å; V147-N151 WeakPolarHBondContact O-CB 3.34Å; V147-N151 VanDerWaalsContact O-CG 3.25Å; V147-N151 PolarHBondContact O-N 2.77Å |
| 148 | I | 98.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.1 | -63.4 | 171.9 | 0 | 0 | 0 | 110.8 | F113 F143 D144 P145 N146 F152 A153 F159 T161 | F113-I148 HydrophobicContact CB-CG2 3.73Å; F113-I148 HydrophobicContact CD1-CB 4.4Å; F113-I148 HydrophobicContact CD1-CG2 4.2Å; F113-I148 HydrophobicContact CD2-CB 4.48Å; F113-I148 HydrophobicContact CD2-CD1 4.02Å; F113-I148 HydrophobicContact CD2-CG2 3.71Å; F113-I148 HydrophobicContact CE1-CD1 4.29Å; F113-I148 HydrophobicContact CE2-CD1 3.67Å; F113-I148 HydrophobicContact CE2-CG2 4.44Å; F113-I148 HydrophobicContact CG-CB 4.27Å; F113-I148 HydrophobicContact CG-CG2 3.6Å; F113-I148 HydrophobicContact CZ-CD1 3.84Å; F143-I148 HydrophobicContact CB-CD1 3.81Å; F143-I148 HydrophobicContact CB-CG1 4.49Å; D144-I148 PolarHBondContact O-N 3Å; D144-I148 VanDerWaalsContact O-N 3.16Å; P145-I148 PolarHBondContact O-N 3.08Å; N146-I148 VanDerWaalsContact C-N 3.31Å; N146-I148 PolarHBondContact O-N 2.76Å; I148-F152 PolarHBondContact O-N 3.11Å; I148-A153 PolarHBondContact O-N 3.16Å; I148-F159 HydrophobicContact CD1-CD1 4.4Å; I148-F159 HydrophobicContact CG2-CB 3.6Å; I148-F159 HydrophobicContact CG2-CD1 3.78Å; I148-F159 HydrophobicContact CG2-CG 3.83Å; I148-T161 HydrophobicContact CD1-CG2 4.26Å |
| 149 | H | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -49.4 | 176.3 | -86.1 | -71.7 | 0 | 0 | 0 | 112.3 | A41 I43 V48 R50 T51 F113 P145 N146 V147 N151 A153 M154 | A41-H149 VanDerWaalsContact CB-CD2 3.42Å; A41-H149 WeakPolarHBondContact CB-CD2 3.41Å; A41-H149 VanDerWaalsContact CB-NE2 3.26Å; A41-H149 WeakPolarHBondContact CB-NE2 3.36Å; I43-H149 HydrophobicContact CD1-CB 3.93Å; V48-H149 HydrophobicContact CG2-CB 4.11Å; R50-H149 PolarHBondContact O-CE1 2.79Å; T51-H149 PolarHBondContact OG1-NE2 3.33Å; F113-H149 AromaticContact CD1-NE2 3.82Å; P145-H149 PolarHBondContact O-CD2 3.45Å; P145-H149 PolarHBondContact O-N 2.92Å; N146-H149 PolarHBondContact O-N 3.11Å; N146-H149 VanDerWaalsContact O-N 3.16Å; V147-H149 VanDerWaalsContact C-N 3.31Å; V147-H149 PolarHBondContact O-N 2.6Å; H149-N151 VanDerWaalsContact C-N 3.34Å; H149-N151 PolarHBondContact O-N 3.38Å; H149-A153 HydrophobicContact CB-CB 4.32Å; H149-A153 VanDerWaalsContact ND1-CB 3.29Å; H149-A153 WeakPolarHBondContact ND1-CB 3.34Å; H149-A153 PolarHBondContact O-N 2.99Å; H149-M154 WeakPolarHBondContact O-CB 3.45Å; H149-M154 WeakPolarHBondContact O-CG 3.32Å; H149-M154 PolarHBondContact O-N 2.94Å |
| 150 | E | 96.2 | Very high | 96.2 | Very high | 89 Ų | 89 | 30.6 Ų | 30.6 | 42% | 0.416 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.8 | -70.2 | 176 | 169.7 | 0 | 0 | 112.2 | I43 N146 V147 M154 | I43-E150 HydrophobicContact CD1-CG 3.54Å; I43-E150 HydrophobicContact CG2-CG 4.47Å; I43-E150 WeakPolarHBondContact CG2-OE1 3.22Å; N146-E150 WeakPolarHBondContact O-CG 3.47Å; N146-E150 PolarHBondContact O-N 3.42Å; V147-E150 PolarHBondContact O-N 2.84Å; E150-M154 HydrophobicContact CG-SD 4.39Å |
| 151 | N | 97.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -89.2 | -24.3 | -170.8 | -69.7 | -3.2 | 0 | 0 | 0 | 114.4 | V147 H149 A494 L514 I518 | V147-N151 VanDerWaalsContact CG1-ND2 3.34Å; V147-N151 WeakPolarHBondContact CG1-ND2 3.47Å; V147-N151 WeakPolarHBondContact O-CB 3.34Å; V147-N151 VanDerWaalsContact O-CG 3.25Å; V147-N151 PolarHBondContact O-N 2.77Å; H149-N151 VanDerWaalsContact C-N 3.34Å; H149-N151 PolarHBondContact O-N 3.38Å; N151-A494 PolarHBondContact ND2-O 3.41Å; N151-L514 HydrophobicContact CB-CD1 3.89Å; N151-L514 HydrophobicContact CB-CD2 3.71Å; N151-L514 HydrophobicContact CB-CG 4.47Å; N151-L514 VanDerWaalsContact CG-CD1 3.44Å; N151-L514 WeakPolarHBondContact OD1-CD1 3.48Å; N151-I518 WeakPolarHBondContact O-CD1 3.18Å |
| 152 | F | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | -52.4 | -174.7 | -64.7 | -85.9 | 0 | 0 | 0 | 112.7 | I148 M154 E155 V157 F159 L495 L514 | I148-F152 PolarHBondContact O-N 3.11Å; F152-M154 PolarHBondContact O-N 3.45Å; F152-E155 CarbonylContact O-C 3.1Å; F152-E155 WeakPolarHBondContact O-CA 3.33Å; F152-E155 WeakPolarHBondContact O-CB 3.46Å; F152-E155 PolarHBondContact O-N 3Å; F152-V157 CarbonylContact C-O 3.46Å; F152-V157 HydrophobicContact CB-CB 4.35Å; F152-V157 HydrophobicContact CD1-CG1 4.41Å; F152-V157 WeakPolarHBondContact O-CB 3.37Å; F152-V157 PolarHBondContact O-N 3.16Å; F152-V157 VanDerWaalsContact O-N 3.1Å; F152-F159 HydrophobicContact CB-CB 4.13Å; F152-F159 HydrophobicContact CB-CD2 3.94Å; F152-F159 HydrophobicContact CB-CG 4.35Å; F152-F159 AromaticContact CD1-CD2 3.63Å; F152-F159 HydrophobicContact CD1-CD2 3.63Å; F152-F159 AromaticContact CD1-CE2 3.86Å; F152-F159 HydrophobicContact CD1-CE2 3.86Å; F152-F159 AromaticContact CD2-CD2 3.76Å; F152-F159 HydrophobicContact CD2-CD2 3.76Å; F152-F159 AromaticContact CD2-CE2 3.9Å; F152-F159 HydrophobicContact CD2-CE2 3.9Å; F152-F159 HydrophobicContact CD2-CG 4.37Å; F152-F159 HydrophobicContact CE1-CD2 4.04Å; F152-F159 AromaticContact CE1-CE2 3.75Å; F152-F159 HydrophobicContact CE1-CE2 3.75Å; F152-F159 HydrophobicContact CE2-CD2 4.17Å; F152-F159 AromaticContact CE2-CE2 3.81Å; F152-F159 HydrophobicContact CE2-CE2 3.81Å; F152-F159 HydrophobicContact CE2-CZ 4.35Å; F152-F159 AromaticContact CG-CD2 3.48Å; F152-F159 HydrophobicContact CG-CD2 3.48Å; F152-F159 VanDerWaalsContact CG-CD2 3.48Å; F152-F159 AromaticContact CG-CE2 3.93Å; F152-F159 HydrophobicContact CG-CE2 3.93Å; F152-F159 HydrophobicContact CG-CG 4.25Å; F152-F159 HydrophobicContact CZ-CD2 4.29Å; F152-F159 AromaticContact CZ-CE2 3.73Å; F152-F159 HydrophobicContact CZ-CE2 3.73Å; F152-F159 HydrophobicContact CZ-CZ 4.47Å; F152-L495 HydrophobicContact CD2-CD2 4.41Å; F152-L495 HydrophobicContact CE2-CD2 3.63Å; F152-L495 HydrophobicContact CZ-CD2 4.33Å; F152-L514 HydrophobicContact CE2-CD2 4.31Å; F152-L514 HydrophobicContact CZ-CD2 4.2Å |
| 153 | A | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -65.2 | -41.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G115 I148 H149 E155 D156 V157 | G115-A153 VanDerWaalsContact CA-O 3.26Å; G115-A153 WeakPolarHBondContact CA-O 3.26Å; I148-A153 PolarHBondContact O-N 3.16Å; H149-A153 HydrophobicContact CB-CB 4.32Å; H149-A153 VanDerWaalsContact ND1-CB 3.29Å; H149-A153 WeakPolarHBondContact ND1-CB 3.34Å; H149-A153 PolarHBondContact O-N 2.99Å; A153-E155 PolarHBondContact O-N 2.93Å; A153-D156 PolarHBondContact O-N 2.89Å; A153-V157 WeakPolarHBondContact CA-O 3.08Å |
| 154 | M | 96.9 | Very high | 97.4 | Very high | 93 Ų | 93 | 26.1 Ų | 26.1 | 46% | 0.458 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -68 | -15.5 | 175.1 | -73.4 | 176.6 | 55.9 | 0 | 0 | 113.3 | V48 H149 E150 F152 D156 | V48-M154 HydrophobicContact CB-CG 3.92Å; V48-M154 HydrophobicContact CB-SD 4Å; V48-M154 HydrophobicContact CG1-CG 4.32Å; V48-M154 HydrophobicContact CG1-SD 3.81Å; V48-M154 HydrophobicContact CG2-SD 4.48Å; H149-M154 WeakPolarHBondContact O-CB 3.45Å; H149-M154 WeakPolarHBondContact O-CG 3.32Å; H149-M154 PolarHBondContact O-N 2.94Å; E150-M154 HydrophobicContact CG-SD 4.39Å; F152-M154 PolarHBondContact O-N 3.45Å; M154-D156 VanDerWaalsContact C-N 3.31Å |
| 155 | E | 97.5 | Very high | 97.7 | Very high | 94 Ų | 94 | 22.8 Ų | 22.8 | 44% | 0.439 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -98.8 | 26.1 | 176.2 | -68.6 | -73.9 | 164.5 | 0 | 0 | 110.6 | F152 A153 V157 I518 K522 | F152-E155 CarbonylContact O-C 3.1Å; F152-E155 WeakPolarHBondContact O-CA 3.33Å; F152-E155 WeakPolarHBondContact O-CB 3.46Å; F152-E155 PolarHBondContact O-N 3Å; A153-E155 PolarHBondContact O-N 2.93Å; E155-V157 VanDerWaalsContact C-N 3.25Å; E155-V157 PolarHBondContact O-N 3.3Å; E155-I518 HydrophobicContact CB-CD1 3.83Å; E155-I518 HydrophobicContact CB-CG1 4.38Å; E155-I518 HydrophobicContact CB-CG2 4.18Å; E155-I518 HydrophobicContact CG-CD1 3.69Å; E155-K522 WeakPolarHBondContact O-CE 3.17Å; E155-K522 PolarHBondContact O-NZ 3Å |
| 156 | D | 97.1 | Very high | 97.7 | Very high | 55 Ų | 55 | 21.6 Ų | 21.6 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 37 | 178.3 | -46.3 | -45.7 | 0 | 0 | 0 | 113.4 | N117 C124 P125 A153 M154 K522 | N117-D156 WeakPolarHBondContact CB-OD1 3.3Å; N117-D156 PolarHBondContact ND2-OD1 3.41Å; C124-D156 VanDerWaalsContact CB-O 3.29Å; C124-D156 WeakPolarHBondContact CB-O 3.14Å; C124-D156 PolarHBondContact SG-O 3.14Å; P125-D156 WeakPolarHBondContact CD-O 3.32Å; A153-D156 PolarHBondContact O-N 2.89Å; M154-D156 VanDerWaalsContact C-N 3.31Å; D156-K522 IonicContact OD2-NZ 2.77Å |
| 157 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -120.3 | 122.4 | 173.8 | 177 | 0 | 0 | 0 | 0 | 108.9 | P125 V127 F152 A153 E155 F159 I518 V521 | P125-V157 HydrophobicContact CG-CG2 4.24Å; V127-V157 HydrophobicContact CB-CG1 4.4Å; V127-V157 HydrophobicContact CG2-CG1 3.66Å; F152-V157 CarbonylContact C-O 3.46Å; F152-V157 HydrophobicContact CB-CB 4.35Å; F152-V157 HydrophobicContact CD1-CG1 4.41Å; F152-V157 WeakPolarHBondContact O-CB 3.37Å; F152-V157 PolarHBondContact O-N 3.16Å; F152-V157 VanDerWaalsContact O-N 3.1Å; A153-V157 WeakPolarHBondContact CA-O 3.08Å; E155-V157 VanDerWaalsContact C-N 3.25Å; E155-V157 PolarHBondContact O-N 3.3Å; V157-F159 PolarHBondContact O-N 3.1Å; V157-I518 HydrophobicContact CG2-CG2 4.25Å; V157-V521 HydrophobicContact CG1-CG1 3.91Å; V157-V521 HydrophobicContact CG2-CG1 4.12Å | ||
| 158 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.6 | 170.1 | -64.3 | -168.5 | 0 | 0 | 0 | 108.5 | V112 F113 A114 C118 C124 P125 V126 V127 V160 I199 F202 G204 | V112-I158 HydrophobicContact CG1-CG2 3.84Å; F113-I158 WeakPolarHBondContact O-CA 3.46Å; A114-I158 HydrophobicContact CB-CD1 3.88Å; A114-I158 HydrophobicContact CB-CG1 3.92Å; C118-I158 HydrophobicContact CB-CD1 4.19Å; C118-I158 HydrophobicContact CB-CG1 4.16Å; C124-I158 HydrophobicContact CB-CG1 4.06Å; P125-I158 PolarHBondContact O-N 3.18Å; V126-I158 CarbonylContact C-O 3.52Å; V126-I158 WeakPolarHBondContact CA-O 3.33Å; V126-I158 HydrophobicContact CG1-CG2 4.48Å; V126-I158 HydrophobicContact CG2-CB 4.35Å; V127-I158 PolarHBondContact N-O 3.05Å; I158-V160 HydrophobicContact CG2-CG2 4.13Å; I158-I199 HydrophobicContact CG2-CD1 4.01Å; I158-I199 HydrophobicContact CG2-CG1 4.47Å; I158-F202 HydrophobicContact CD1-CB 4.14Å; I158-F202 WeakPolarHBondContact CD1-O 3.43Å; I158-G204 VanDerWaalsContact CD1-CA 3.42Å; I158-G204 VanDerWaalsContact CD1-N 3.29Å |
| 159 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131 | 177.5 | -154 | -92.8 | 0 | 0 | 0 | 109.5 | F113 V127 F129 I148 F152 V157 T161 M212 L495 | F113-F159 HydrophobicContact CB-CB 4.42Å; F113-F159 HydrophobicContact CD2-CB 4.49Å; F113-F159 VanDerWaalsContact CD2-O 3.32Å; F113-F159 WeakPolarHBondContact CD2-O 3.25Å; F113-F159 PolarHBondContact N-O 3.22Å; F113-F159 PolarHBondContact O-N 2.96Å; V127-F159 HydrophobicContact CB-CD2 3.76Å; V127-F159 HydrophobicContact CB-CE2 3.99Å; V127-F159 HydrophobicContact CG1-CD2 3.83Å; V127-F159 HydrophobicContact CG1-CE2 3.51Å; V127-F159 HydrophobicContact CG1-CZ 4.18Å; V127-F159 HydrophobicContact CG2-CD2 4.44Å; F129-F159 HydrophobicContact CB-CD1 4.44Å; F129-F159 HydrophobicContact CB-CE1 3.44Å; F129-F159 VanDerWaalsContact CB-CE1 3.44Å; F129-F159 HydrophobicContact CB-CE2 4.47Å; F129-F159 HydrophobicContact CB-CZ 3.47Å; F129-F159 VanDerWaalsContact CB-CZ 3.47Å; F129-F159 AromaticContact CD2-CZ 3.88Å; F129-F159 HydrophobicContact CD2-CZ 3.88Å; F129-F159 AromaticContact CG-CE1 3.95Å; F129-F159 HydrophobicContact CG-CE1 3.95Å; F129-F159 AromaticContact CG-CZ 3.77Å; F129-F159 HydrophobicContact CG-CZ 3.77Å; I148-F159 HydrophobicContact CD1-CD1 4.4Å; I148-F159 HydrophobicContact CG2-CB 3.6Å; I148-F159 HydrophobicContact CG2-CD1 3.78Å; I148-F159 HydrophobicContact CG2-CG 3.83Å; F152-F159 HydrophobicContact CB-CB 4.13Å; F152-F159 HydrophobicContact CB-CD2 3.94Å; F152-F159 HydrophobicContact CB-CG 4.35Å; F152-F159 AromaticContact CD1-CD2 3.63Å; F152-F159 HydrophobicContact CD1-CD2 3.63Å; F152-F159 AromaticContact CD1-CE2 3.86Å; F152-F159 HydrophobicContact CD1-CE2 3.86Å; F152-F159 AromaticContact CD2-CD2 3.76Å; F152-F159 HydrophobicContact CD2-CD2 3.76Å; F152-F159 AromaticContact CD2-CE2 3.9Å; F152-F159 HydrophobicContact CD2-CE2 3.9Å; F152-F159 HydrophobicContact CD2-CG 4.37Å; F152-F159 HydrophobicContact CE1-CD2 4.04Å; F152-F159 AromaticContact CE1-CE2 3.75Å; F152-F159 HydrophobicContact CE1-CE2 3.75Å; F152-F159 HydrophobicContact CE2-CD2 4.17Å; F152-F159 AromaticContact CE2-CE2 3.81Å; F152-F159 HydrophobicContact CE2-CE2 3.81Å; F152-F159 HydrophobicContact CE2-CZ 4.35Å; F152-F159 AromaticContact CG-CD2 3.48Å; F152-F159 HydrophobicContact CG-CD2 3.48Å; F152-F159 VanDerWaalsContact CG-CD2 3.48Å; F152-F159 AromaticContact CG-CE2 3.93Å; F152-F159 HydrophobicContact CG-CE2 3.93Å; F152-F159 HydrophobicContact CG-CG 4.25Å; F152-F159 HydrophobicContact CZ-CD2 4.29Å; F152-F159 AromaticContact CZ-CE2 3.73Å; F152-F159 HydrophobicContact CZ-CE2 3.73Å; F152-F159 HydrophobicContact CZ-CZ 4.47Å; V157-F159 PolarHBondContact O-N 3.1Å; F159-T161 HydrophobicContact CD1-CG2 3.98Å; F159-T161 HydrophobicContact CE1-CG2 3.8Å; F159-M212 HydrophobicContact CE2-SD 4.39Å; F159-L495 HydrophobicContact CE1-CD2 4Å; F159-L495 HydrophobicContact CE2-CD2 4.38Å; F159-L495 HydrophobicContact CZ-CD1 4.48Å; F159-L495 HydrophobicContact CZ-CD2 3.67Å |
| 160 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126.8 | 179.1 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | L110 N111 V112 V126 V127 F129 I158 V162 I195 I199 | L110-V160 HydrophobicContact CB-CG1 4.25Å; L110-V160 HydrophobicContact CD1-CG1 4.18Å; N111-V160 CarbonylContact O-C 3.58Å; N111-V160 VanDerWaalsContact O-CA 3.23Å; N111-V160 WeakPolarHBondContact O-CA 3.44Å; N111-V160 WeakPolarHBondContact O-CG1 3.23Å; V112-V160 HydrophobicContact CG2-CG1 4.38Å; V112-V160 HydrophobicContact CG2-CG2 4.22Å; V126-V160 HydrophobicContact CG1-CG2 3.95Å; V127-V160 PolarHBondContact O-N 2.9Å; F129-V160 PolarHBondContact N-O 3.47Å; I158-V160 HydrophobicContact CG2-CG2 4.13Å; V160-V162 HydrophobicContact CG1-CG2 4.35Å; V160-I195 HydrophobicContact CB-CD1 4.28Å; V160-I195 HydrophobicContact CG1-CD1 3.74Å; V160-I195 HydrophobicContact CG1-CG1 4.3Å; V160-I199 HydrophobicContact CG2-CD1 3.98Å |
| 161 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.4 | 173.9 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | L110 N111 F113 F129 F143 I148 F159 | L110-T161 CarbonylContact C-O 3.6Å; L110-T161 VanDerWaalsContact CA-O 3.25Å; L110-T161 WeakPolarHBondContact CA-O 3.43Å; L110-T161 WeakPolarHBondContact CB-O 3.44Å; N111-T161 WeakPolarHBondContact CB-OG1 3.44Å; N111-T161 PolarHBondContact N-O 3.08Å; N111-T161 PolarHBondContact ND2-O 2.9Å; N111-T161 PolarHBondContact ND2-OG1 3.1Å; N111-T161 PolarHBondContact O-N 3.19Å; F113-T161 HydrophobicContact CE2-CG2 4.29Å; F129-T161 HydrophobicContact CB-CG2 4.4Å; F143-T161 HydrophobicContact CD2-CG2 4.15Å; I148-T161 HydrophobicContact CD1-CG2 4.26Å; F159-T161 HydrophobicContact CD1-CG2 3.98Å; F159-T161 HydrophobicContact CE1-CG2 3.8Å |
| 162 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.6 | -172.9 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | Y57 L110 I128 F129 I130 P140 V160 A191 I195 | Y57-V162 HydrophobicContact CE1-CG1 4.18Å; L110-V162 HydrophobicContact CB-CG2 4.18Å; I128-V162 HydrophobicContact CG2-CG2 3.76Å; F129-V162 PolarHBondContact O-N 3.07Å; I130-V162 HydrophobicContact CD1-CB 4.13Å; I130-V162 HydrophobicContact CD1-CG2 4.47Å; P140-V162 VanDerWaalsContact CG-C 3.43Å; P140-V162 WeakPolarHBondContact CG-O 3.46Å; V160-V162 HydrophobicContact CG1-CG2 4.35Å; V162-A191 HydrophobicContact CB-CB 4.43Å; V162-A191 HydrophobicContact CG1-CB 3.53Å; V162-A191 HydrophobicContact CG2-CB 3.97Å; V162-I195 HydrophobicContact CG2-CD1 4.48Å |
| 163 | A | 98.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 6% | 0.058 | 7% | 0.067 | C | C | . | . | trans | -87.8 | 142.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y57 C107 Y109 P140 | Y57-A163 PolarHBondContact OH-O 3.36Å; C107-A163 VanDerWaalsContact O-CB 3.28Å; C107-A163 WeakPolarHBondContact O-CB 3.4Å; Y109-A163 WeakPolarHBondContact O-CB 3.34Å; Y109-A163 PolarHBondContact O-N 2.93Å; Y109-A163 VanDerWaalsContact O-N 3.1Å; P140-A163 HydrophobicContact CG-CB 3.96Å | ||
| 164 | Y | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -144.7 | 154.9 | -179.5 | 61.7 | -86.3 | 0 | 0 | 0 | 109.7 | C90 I130 H131 F135 L166 I188 | C90-Y164 PolarHBondContact SG-O 2.93Å; I130-Y164 HydrophobicContact CG2-CD1 4.28Å; I130-Y164 HydrophobicContact CG2-CE1 3.69Å; H131-Y164 AromaticContact CD2-CE1 3.77Å; H131-Y164 AromaticContact CE1-CE1 3.7Å; H131-Y164 AromaticContact NE2-CD1 3.87Å; H131-Y164 AromaticContact NE2-CE1 3.5Å; H131-Y164 PolarHBondContact O-OH 3.12Å; H131-Y164 VanDerWaalsContact O-OH 3.06Å; F135-Y164 HydrophobicContact CD1-CE2 4.42Å; Y164-L166 HydrophobicContact CD2-CD2 4.04Å; Y164-L166 HydrophobicContact CE2-CD2 3.44Å; Y164-L166 VanDerWaalsContact CE2-CD2 3.44Å; Y164-L166 WeakPolarHBondContact O-CG 3.29Å; Y164-L166 PolarHBondContact O-N 3.25Å; Y164-I188 HydrophobicContact CD1-CD1 4.1Å; Y164-I188 HydrophobicContact CD1-CG1 4.06Å; Y164-I188 HydrophobicContact CD2-CD1 4.16Å; Y164-I188 HydrophobicContact CD2-CG1 4.44Å; Y164-I188 HydrophobicContact CE1-CD1 4.39Å; Y164-I188 HydrophobicContact CE2-CD1 4.45Å; Y164-I188 HydrophobicContact CG-CD1 3.99Å; Y164-I188 HydrophobicContact CG-CG1 3.87Å | ||
| 165 | R | 98.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 12.4 Ų | 12.4 | 3% | 0.026 | 7% | 0.073 | C | C | . | . | trans | -60.6 | 138.3 | -177.3 | -76.6 | 172.7 | -75.1 | 179.5 | -6 | 111.8 | P61 A68 L108 G170 G184 D187 | P61-R165 HydrophobicContact CG-CG 4.24Å; A68-R165 PolarHBondContact O-NH1 2.52Å; A68-R165 PolarHBondContact O-NH2 3.13Å; L108-R165 HydrophobicContact CD2-CG 4.13Å; R165-G170 VanDerWaalsContact CB-CA 3.49Å; R165-G184 WeakPolarHBondContact O-CA 3.46Å; R165-D187 WeakPolarHBondContact CB-OD2 3.28Å; R165-D187 VanDerWaalsContact CG-OD2 3.22Å; R165-D187 WeakPolarHBondContact CG-OD2 3.27Å; R165-D187 IonicContact CZ-OD1 2.64Å; R165-D187 IonicContact CZ-OD2 2.74Å; R165-D187 PolarHBondContact N-OD2 2.69Å; R165-D187 IonicContact NE-OD1 3.55Å; R165-D187 PolarHBondContact NE-OD1 3.39Å; R165-D187 IonicContact NE-OD2 2.98Å; R165-D187 PolarHBondContact NE-OD2 2.93Å; R165-D187 IonicContact NH2-OD1 3.53Å; R165-D187 PolarHBondContact NH2-OD1 3.07Å; R165-D187 IonicContact NH2-OD2 2.74Å | ||
| 166 | L | 95.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | trans | -116.5 | 164.2 | -176.3 | -60.4 | 170.1 | 0 | 0 | 0 | 111 | C90 F135 Y164 F169 G170 | C90-L166 HydrophobicContact CB-CD1 4.29Å; C90-L166 HydrophobicContact CB-CG 4.3Å; F135-L166 CarbonylContact O-C 3.52Å; F135-L166 VanDerWaalsContact O-CA 3.3Å; F135-L166 WeakPolarHBondContact O-CA 3.28Å; F135-L166 WeakPolarHBondContact O-CB 3.06Å; F135-L166 WeakPolarHBondContact O-CD2 3.45Å; Y164-L166 HydrophobicContact CD2-CD2 4.04Å; Y164-L166 HydrophobicContact CE2-CD2 3.44Å; Y164-L166 VanDerWaalsContact CE2-CD2 3.44Å; Y164-L166 WeakPolarHBondContact O-CG 3.29Å; Y164-L166 PolarHBondContact O-N 3.25Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.94Å; L166-F169 VanDerWaalsContact O-N 3.13Å; L166-G170 PolarHBondContact O-N 2.84Å | ||
| 167 | G | 93.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | 51.9 | -139.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F135 D136 F169 G170 F171 T338 | F135-G167 PolarHBondContact O-N 2.66Å; D136-G167 WeakPolarHBondContact OD1-CA 3.38Å; G167-F169 PolarHBondContact O-N 3.23Å; G167-G170 PolarHBondContact O-N 3.1Å; G167-G170 VanDerWaalsContact O-N 3.12Å; G167-F171 WeakPolarHBondContact O-CD2 3.15Å; G167-F171 PolarHBondContact O-N 3.01Å; G167-T338 VanDerWaalsContact C-CG2 3.44Å |
| 168 | V | 93.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.5 | -35.7 | 177.1 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | F67 G170 F171 F172 L260 L292 Y296 | F67-V168 HydrophobicContact CE1-CG2 4.44Å; F67-V168 WeakPolarHBondContact CE1-O 3.22Å; V168-G170 VanDerWaalsContact C-N 3.3Å; V168-G170 PolarHBondContact O-N 2.91Å; V168-F171 PolarHBondContact O-N 2.85Å; V168-F172 HydrophobicContact CG2-CB 3.95Å; V168-F172 HydrophobicContact CG2-CD2 4.38Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.31Å; V168-L260 HydrophobicContact CB-CD2 4.38Å; V168-L260 HydrophobicContact CG2-CD2 3.68Å; V168-L292 HydrophobicContact CG1-CD1 4.29Å; V168-L292 HydrophobicContact CG1-CD2 3.98Å; V168-L292 HydrophobicContact CG1-CG 3.78Å; V168-L292 HydrophobicContact CG2-CD1 4.01Å; V168-L292 HydrophobicContact CG2-CD2 4.35Å; V168-L292 HydrophobicContact CG2-CG 4.33Å; V168-Y296 HydrophobicContact CB-CD2 3.62Å; V168-Y296 HydrophobicContact CB-CE2 4.08Å; V168-Y296 HydrophobicContact CB-CG 4.01Å; V168-Y296 HydrophobicContact CG1-CD2 4.19Å; V168-Y296 HydrophobicContact CG1-CG 4.06Å; V168-Y296 HydrophobicContact CG2-CD2 4.4Å |
| 169 | F | 96.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 16.6 Ų | 16.6 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -32.8 | 179.6 | -56.5 | -85.9 | 0 | 0 | 0 | 112.7 | W91 E105 L166 G167 A289 L292 D293 | W91-F169 HydrophobicContact CB-CD2 3.96Å; W91-F169 HydrophobicContact CB-CE2 3.8Å; W91-F169 HydrophobicContact CB-CZ 4.21Å; W91-F169 AromaticContact CD1-CE2 3.34Å; W91-F169 AromaticContact CD1-CZ 3.75Å; W91-F169 HydrophobicContact CD2-CZ 4.47Å; W91-F169 HydrophobicContact CG-CD2 4.32Å; W91-F169 AromaticContact CG-CE2 3.66Å; W91-F169 HydrophobicContact CG-CE2 3.66Å; W91-F169 AromaticContact CG-CZ 3.86Å; W91-F169 HydrophobicContact CG-CZ 3.86Å; E105-F169 HydrophobicContact CG-CD1 4.11Å; E105-F169 HydrophobicContact CG-CE1 4.02Å; E105-F169 WeakPolarHBondContact OE1-CD1 3.39Å; E105-F169 WeakPolarHBondContact OE1-CE1 3.48Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.94Å; L166-F169 VanDerWaalsContact O-N 3.13Å; G167-F169 PolarHBondContact O-N 3.23Å; F169-A289 HydrophobicContact CE1-CB 3.87Å; F169-A289 HydrophobicContact CZ-CB 3.73Å; F169-L292 HydrophobicContact CD1-CD2 4.24Å; F169-L292 HydrophobicContact CE1-CD2 3.65Å; F169-L292 HydrophobicContact CZ-CB 4.44Å; F169-L292 HydrophobicContact CZ-CD2 3.86Å; F169-L292 HydrophobicContact CZ-CG 4.29Å; F169-D293 HydrophobicContact CE2-CB 4.17Å |
| 170 | G | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -89.2 | -24.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R165 L166 G167 V168 F183 G184 | R165-G170 VanDerWaalsContact CB-CA 3.49Å; L166-G170 PolarHBondContact O-N 2.84Å; G167-G170 PolarHBondContact O-N 3.1Å; G167-G170 VanDerWaalsContact O-N 3.12Å; V168-G170 VanDerWaalsContact C-N 3.3Å; V168-G170 PolarHBondContact O-N 2.91Å; G170-F183 CarbonylContact O-C 3.59Å; G170-F183 WeakPolarHBondContact O-CA 3.41Å; G170-F183 VanDerWaalsContact O-CB 3.32Å; G170-F183 WeakPolarHBondContact O-CB 3.38Å; G170-F183 PolarHBondContact O-N 3.43Å; G170-G184 PolarHBondContact O-N 3.3Å |
| 171 | F | 95.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -137.1 | 2.5 | -164.8 | -60 | -78.6 | 0 | 0 | 0 | 115.5 | F135 G167 V168 S173 L185 Y257 T338 P340 | F135-F171 HydrophobicContact CB-CD2 4.25Å; F135-F171 HydrophobicContact CB-CE2 3.68Å; F135-F171 HydrophobicContact CB-CZ 4.19Å; F135-F171 AromaticContact CD1-CE2 3.97Å; F135-F171 HydrophobicContact CD1-CE2 3.97Å; F135-F171 AromaticContact CD1-CZ 3.63Å; F135-F171 HydrophobicContact CD1-CZ 3.63Å; F135-F171 HydrophobicContact CE1-CZ 4.31Å; F135-F171 HydrophobicContact CG-CE2 4.15Å; F135-F171 HydrophobicContact CG-CZ 4.16Å; G167-F171 WeakPolarHBondContact O-CD2 3.15Å; G167-F171 PolarHBondContact O-N 3.01Å; V168-F171 PolarHBondContact O-N 2.85Å; F171-S173 PolarHBondContact O-N 2.8Å; F171-L185 HydrophobicContact CE1-CG 4.37Å; F171-Y257 WeakPolarHBondContact CB-OH 3.42Å; F171-Y257 WeakPolarHBondContact O-CE2 3.48Å; F171-Y257 PolarHBondContact O-OH 3.04Å; F171-Y257 VanDerWaalsContact O-OH 3.04Å; F171-T338 HydrophobicContact CB-CG2 4.34Å; F171-P340 HydrophobicContact CD1-CG 4.48Å; F171-P340 HydrophobicContact CE1-CB 4.39Å; F171-P340 HydrophobicContact CE1-CG 3.79Å; F171-P340 HydrophobicContact CZ-CG 4.44Å |
| 172 | F | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | trans | -52.2 | 132.2 | 171.5 | 174.1 | -105.6 | 0 | 0 | 0 | 111 | F67 V168 T174 A179 G181 F183 Y257 V281 M284 | F67-F172 HydrophobicContact CB-CD1 4.13Å; F67-F172 HydrophobicContact CD1-CB 3.65Å; F67-F172 AromaticContact CD1-CD1 3.78Å; F67-F172 HydrophobicContact CD1-CD1 3.78Å; F67-F172 HydrophobicContact CD1-CG 4.07Å; F67-F172 AromaticContact CD2-CD1 3.84Å; F67-F172 HydrophobicContact CD2-CD1 3.84Å; F67-F172 HydrophobicContact CD2-CE1 4.23Å; F67-F172 HydrophobicContact CE1-CB 3.57Å; F67-F172 HydrophobicContact CE1-CD1 4.08Å; F67-F172 HydrophobicContact CE1-CG 4.02Å; F67-F172 HydrophobicContact CE2-CD1 4.15Å; F67-F172 HydrophobicContact CG-CB 4.4Å; F67-F172 AromaticContact CG-CD1 3.64Å; F67-F172 HydrophobicContact CG-CD1 3.64Å; F67-F172 HydrophobicContact CG-CE1 4.4Å; F67-F172 HydrophobicContact CG-CG 4.38Å; F67-F172 HydrophobicContact CZ-CB 4.27Å; F67-F172 HydrophobicContact CZ-CD1 4.24Å; F67-F172 HydrophobicContact CZ-CG 4.28Å; V168-F172 HydrophobicContact CG2-CB 3.95Å; V168-F172 HydrophobicContact CG2-CD2 4.38Å; V168-F172 WeakPolarHBondContact O-CB 3.37Å; V168-F172 PolarHBondContact O-N 3.31Å; F172-T174 HydrophobicContact CE1-CG2 4.14Å; F172-T174 HydrophobicContact CZ-CG2 3.85Å; F172-A179 HydrophobicContact CD1-CB 4.01Å; F172-A179 HydrophobicContact CE1-CB 3.84Å; F172-G181 VanDerWaalsContact O-CA 3.3Å; F172-G181 WeakPolarHBondContact O-CA 3.46Å; F172-F183 WeakPolarHBondContact O-CE2 3.14Å; F172-Y257 AromaticContact CD2-CD1 3.92Å; F172-Y257 HydrophobicContact CD2-CD1 3.92Å; F172-Y257 AromaticContact CD2-CG 4Å; F172-Y257 HydrophobicContact CD2-CG 4Å; F172-V281 HydrophobicContact CE1-CG2 4.41Å; F172-M284 HydrophobicContact CD2-CE 4.09Å; F172-M284 HydrophobicContact CE1-CB 4.41Å; F172-M284 HydrophobicContact CE1-CG 4.38Å; F172-M284 HydrophobicContact CE2-CE 3.75Å; F172-M284 HydrophobicContact CE2-CG 4.3Å; F172-M284 HydrophobicContact CZ-CB 4.33Å; F172-M284 HydrophobicContact CZ-CE 4.2Å; F172-M284 HydrophobicContact CZ-CG 3.82Å | ||
| 173 | S | 90.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -145.5 | 139.5 | -178.8 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | F171 A175 A179 E180 R341 | F171-S173 PolarHBondContact O-N 2.8Å; S173-A175 PolarHBondContact OG-N 3.37Å; S173-A179 WeakPolarHBondContact CA-O 3.42Å; S173-A179 PolarHBondContact OG-O 3.42Å; S173-E180 PolarHBondContact OG-O 2.65Å; S173-R341 WeakPolarHBondContact OG-CD 3.09Å | ||
| 174 | T | 88.6 | Confident | 92.9 | Very high | 25 Ų | 25 | 19.7 Ų | 19.7 | 15% | 0.153 | 11% | 0.111 | C | C | . | . | trans | -103.8 | 7 | 165.5 | 52.4 | 0 | 0 | 0 | 0 | 111.9 | F172 S176 A179 I277 V281 | F172-T174 HydrophobicContact CE1-CG2 4.14Å; F172-T174 HydrophobicContact CZ-CG2 3.85Å; T174-S176 PolarHBondContact O-N 2.72Å; T174-S176 PolarHBondContact OG1-OG 3.4Å; T174-A179 HydrophobicContact CG2-CB 4.41Å; T174-A179 PolarHBondContact N-O 2.95Å; T174-A179 PolarHBondContact OG1-O 3.42Å; T174-I277 HydrophobicContact CG2-CG2 4.06Å; T174-V281 HydrophobicContact CG2-CG2 4.01Å | ||
| 175 | A | 85 | Confident | 92.9 | Very high | 53 Ų | 53 | 19.8 Ų | 19.8 | 44% | 0.438 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 49 | 36.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113 | S173 I254 | S173-A175 PolarHBondContact OG-N 3.37Å; A175-I254 HydrophobicContact CB-CD1 3.88Å; A175-I254 HydrophobicContact CB-CG2 4.26Å |
| 176 | S | 86.1 | Confident | 92.9 | Very high | 21 Ų | 21 | 20 Ų | 20 | 15% | 0.147 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 165.7 | 177.7 | 77.3 | 0 | 0 | 0 | 0 | 110.1 | T174 E178 A179 E180 I277 | T174-S176 PolarHBondContact O-N 2.72Å; T174-S176 PolarHBondContact OG1-OG 3.4Å; S176-E178 WeakPolarHBondContact CB-OE2 3.3Å; S176-E178 PolarHBondContact O-N 3.34Å; S176-E178 VanDerWaalsContact O-N 3.14Å; S176-E178 PolarHBondContact OG-OE2 3.21Å; S176-A179 CarbonylContact O-C 3.53Å; S176-A179 PolarHBondContact O-N 2.7Å; S176-A179 VanDerWaalsContact O-N 3.11Å; S176-E180 WeakPolarHBondContact O-CA 3.24Å; S176-E180 VanDerWaalsContact O-CG 3.25Å; S176-E180 WeakPolarHBondContact O-CG 3.3Å; S176-E180 PolarHBondContact O-N 3.13Å; S176-E180 VanDerWaalsContact O-N 3.12Å; S176-I277 VanDerWaalsContact OG-CG2 3.23Å; S176-I277 WeakPolarHBondContact OG-CG2 3.26Å |
| 177 | L | 87.1 | Confident | 93.1 | Very high | 149 Ų | 149 | 19.9 Ų | 19.9 | 78% | 0.78 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24 | -179 | -62.6 | 178.4 | 0 | 0 | 0 | 113.3 | E180 | L177-E180 VanDerWaalsContact CD2-OE1 3.24Å; L177-E180 WeakPolarHBondContact CD2-OE1 3.22Å |
| 178 | E | 87.8 | Confident | 93.4 | Very high | 66 Ų | 66 | 19.7 Ų | 19.7 | 31% | 0.308 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.1 | 178.5 | -60.3 | 92.3 | 156.2 | 0 | 0 | 113.4 | S176 S278 V281 | S176-E178 WeakPolarHBondContact CB-OE2 3.3Å; S176-E178 PolarHBondContact O-N 3.34Å; S176-E178 VanDerWaalsContact O-N 3.14Å; S176-E178 PolarHBondContact OG-OE2 3.21Å; E178-S278 PolarHBondContact OE1-OG 3.33Å; E178-V281 HydrophobicContact CB-CB 4.34Å; E178-V281 HydrophobicContact CB-CG2 3.86Å |
| 179 | A | 90.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -154.1 | 83.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F67 F172 S173 T174 S176 G181 F183 V281 | F67-A179 HydrophobicContact CB-CB 4.47Å; F172-A179 HydrophobicContact CD1-CB 4.01Å; F172-A179 HydrophobicContact CE1-CB 3.84Å; S173-A179 WeakPolarHBondContact CA-O 3.42Å; S173-A179 PolarHBondContact OG-O 3.42Å; T174-A179 HydrophobicContact CG2-CB 4.41Å; T174-A179 PolarHBondContact N-O 2.95Å; T174-A179 PolarHBondContact OG1-O 3.42Å; S176-A179 CarbonylContact O-C 3.53Å; S176-A179 PolarHBondContact O-N 2.7Å; S176-A179 VanDerWaalsContact O-N 3.11Å; A179-G181 VanDerWaalsContact C-N 3.29Å; A179-G181 PolarHBondContact O-N 2.75Å; A179-F183 HydrophobicContact CB-CZ 4.36Å; A179-V281 HydrophobicContact CB-CG1 4.22Å; A179-V281 HydrophobicContact CB-CG2 3.69Å |
| 180 | E | 89.5 | Confident | 93.7 | Very high | 63 Ų | 63 | 20 Ų | 20 | 29% | 0.294 | 11% | 0.113 | S | C | . | . | trans | -70.1 | -27.4 | -175.4 | -65.1 | -178.7 | 133.2 | 0 | 0 | 112.5 | S173 S176 L177 R341 | S173-E180 PolarHBondContact OG-O 2.65Å; S176-E180 WeakPolarHBondContact O-CA 3.24Å; S176-E180 VanDerWaalsContact O-CG 3.25Å; S176-E180 WeakPolarHBondContact O-CG 3.3Å; S176-E180 PolarHBondContact O-N 3.13Å; S176-E180 VanDerWaalsContact O-N 3.12Å; L177-E180 VanDerWaalsContact CD2-OE1 3.24Å; L177-E180 WeakPolarHBondContact CD2-OE1 3.22Å; E180-R341 WeakPolarHBondContact O-CD 3.45Å; E180-R341 PolarHBondContact O-NH1 2.79Å | ||
| 181 | G | 92.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 20 Ų | 20 | 4% | 0.041 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 91.4 | -164.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F172 A179 F183 | F172-G181 VanDerWaalsContact O-CA 3.3Å; F172-G181 WeakPolarHBondContact O-CA 3.46Å; A179-G181 VanDerWaalsContact C-N 3.29Å; A179-G181 PolarHBondContact O-N 2.75Å; G181-F183 PolarHBondContact O-N 3.09Å |
| 182 | N | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | 54.4 | 16.5 | -178.4 | -71.2 | -17.2 | 0 | 0 | 0 | 116 | G184 L185 S186 P340 R341 D343 I348 | N182-G184 PolarHBondContact O-N 2.96Å; N182-G184 VanDerWaalsContact O-N 3.17Å; N182-L185 HydrophobicContact CB-CB 4.46Å; N182-L185 CarbonylContact O-C 3.58Å; N182-L185 WeakPolarHBondContact O-CA 3.47Å; N182-L185 WeakPolarHBondContact O-CB 3.28Å; N182-L185 PolarHBondContact O-N 3.33Å; N182-S186 PolarHBondContact O-N 3.31Å; N182-S186 PolarHBondContact O-OG 3.05Å; N182-P340 WeakPolarHBondContact OD1-CA 3.32Å; N182-R341 PolarHBondContact ND2-O 2.94Å; N182-R341 PolarHBondContact OD1-N 3.3Å; N182-D343 PolarHBondContact ND2-OD2 3.39Å; N182-I348 HydrophobicContact CB-CD1 4.08Å | ||
| 183 | F | 97.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 24.5 Ų | 24.5 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.7 | -36.6 | -178.3 | -52.6 | -57.1 | 0 | 0 | 0 | 113.1 | F67 A68 G170 F172 A179 G181 L185 S186 D187 | F67-F183 VanDerWaalsContact C-CE1 3.44Å; F67-F183 HydrophobicContact CB-CD2 4.45Å; F67-F183 HydrophobicContact CB-CE2 3.65Å; F67-F183 HydrophobicContact CB-CZ 3.94Å; F67-F183 HydrophobicContact CD1-CD2 4.46Å; F67-F183 HydrophobicContact CD1-CE2 4.19Å; F67-F183 HydrophobicContact CG-CE2 4.4Å; F67-F183 WeakPolarHBondContact O-CE1 3.39Å; F67-F183 WeakPolarHBondContact O-CZ 3.46Å; A68-F183 VanDerWaalsContact C-CD1 3.46Å; A68-F183 WeakPolarHBondContact O-CD1 3.47Å; G170-F183 CarbonylContact O-C 3.59Å; G170-F183 WeakPolarHBondContact O-CA 3.41Å; G170-F183 VanDerWaalsContact O-CB 3.32Å; G170-F183 WeakPolarHBondContact O-CB 3.38Å; G170-F183 PolarHBondContact O-N 3.43Å; F172-F183 WeakPolarHBondContact O-CE2 3.14Å; A179-F183 HydrophobicContact CB-CZ 4.36Å; G181-F183 PolarHBondContact O-N 3.09Å; F183-L185 VanDerWaalsContact C-N 3.32Å; F183-L185 PolarHBondContact O-N 3.12Å; F183-S186 PolarHBondContact O-N 3.29Å; F183-D187 WeakPolarHBondContact O-CB 3.36Å; F183-D187 PolarHBondContact O-N 2.85Å |
| 184 | G | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.7 | -33.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R165 G170 N182 I188 | R165-G184 WeakPolarHBondContact O-CA 3.46Å; G170-G184 PolarHBondContact O-N 3.3Å; N182-G184 PolarHBondContact O-N 2.96Å; N182-G184 VanDerWaalsContact O-N 3.17Å; G184-I188 WeakPolarHBondContact O-CG1 3.48Å; G184-I188 PolarHBondContact O-N 3.13Å |
| 185 | L | 98.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.4 | -39.8 | 171.6 | -65.8 | -171.9 | 0 | 0 | 0 | 111.4 | F171 N182 F183 D187 I188 I189 A220 P340 I348 L349 | F171-L185 HydrophobicContact CE1-CG 4.37Å; N182-L185 HydrophobicContact CB-CB 4.46Å; N182-L185 CarbonylContact O-C 3.58Å; N182-L185 WeakPolarHBondContact O-CA 3.47Å; N182-L185 WeakPolarHBondContact O-CB 3.28Å; N182-L185 PolarHBondContact O-N 3.33Å; F183-L185 VanDerWaalsContact C-N 3.32Å; F183-L185 PolarHBondContact O-N 3.12Å; L185-D187 PolarHBondContact O-N 3.42Å; L185-I188 HydrophobicContact CD2-CD1 4.25Å; L185-I188 PolarHBondContact O-N 3.02Å; L185-I188 VanDerWaalsContact O-N 3.15Å; L185-I189 WeakPolarHBondContact O-CG1 3.15Å; L185-I189 PolarHBondContact O-N 2.85Å; L185-A220 HydrophobicContact CD2-CB 3.96Å; L185-P340 HydrophobicContact CD1-CB 3.73Å; L185-P340 HydrophobicContact CD1-CG 3.78Å; L185-P340 HydrophobicContact CD2-CG 4.19Å; L185-P340 HydrophobicContact CG-CB 4.4Å; L185-P340 HydrophobicContact CG-CG 4.02Å; L185-I348 HydrophobicContact CB-CD1 3.85Å; L185-I348 HydrophobicContact CB-CG2 4.37Å; L185-I348 HydrophobicContact CD1-CG2 4.08Å; L185-L349 HydrophobicContact CD1-CD1 4.3Å |
| 186 | S | 98.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 8% | 0.077 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.1 | -50.5 | 0 | 0 | 0 | 0 | 111.4 | P70 N182 F183 I189 E190 I348 | P70-S186 VanDerWaalsContact CD-CB 3.43Å; P70-S186 WeakPolarHBondContact CG-O 3.3Å; N182-S186 PolarHBondContact O-N 3.31Å; N182-S186 PolarHBondContact O-OG 3.05Å; F183-S186 PolarHBondContact O-N 3.29Å; S186-I189 PolarHBondContact O-N 2.95Å; S186-E190 WeakPolarHBondContact O-CB 3.49Å; S186-E190 PolarHBondContact O-N 3.2Å; S186-I348 WeakPolarHBondContact OG-CD1 3.4Å |
| 187 | D | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 174.6 | -67.1 | -17.9 | 0 | 0 | 0 | 111.9 | Y57 P70 L108 R165 F183 L185 E190 A191 | Y57-D187 VanDerWaalsContact CE2-O 3.27Å; Y57-D187 WeakPolarHBondContact CE2-O 3.1Å; P70-D187 WeakPolarHBondContact CB-OD1 3.14Å; L108-D187 HydrophobicContact CD2-CB 4.12Å; L108-D187 WeakPolarHBondContact CD2-OD2 3.32Å; R165-D187 WeakPolarHBondContact CB-OD2 3.28Å; R165-D187 VanDerWaalsContact CG-OD2 3.22Å; R165-D187 WeakPolarHBondContact CG-OD2 3.27Å; R165-D187 IonicContact CZ-OD1 2.64Å; R165-D187 IonicContact CZ-OD2 2.74Å; R165-D187 PolarHBondContact N-OD2 2.69Å; R165-D187 IonicContact NE-OD1 3.55Å; R165-D187 PolarHBondContact NE-OD1 3.39Å; R165-D187 IonicContact NE-OD2 2.98Å; R165-D187 PolarHBondContact NE-OD2 2.93Å; R165-D187 IonicContact NH2-OD1 3.53Å; R165-D187 PolarHBondContact NH2-OD1 3.07Å; R165-D187 IonicContact NH2-OD2 2.74Å; F183-D187 WeakPolarHBondContact O-CB 3.36Å; F183-D187 PolarHBondContact O-N 2.85Å; L185-D187 PolarHBondContact O-N 3.42Å; D187-E190 PolarHBondContact O-N 3.26Å; D187-A191 PolarHBondContact O-N 3.28Å |
| 188 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | 176 | -64.4 | 165.4 | 0 | 0 | 0 | 110.2 | I130 Y164 G184 L185 E190 A191 M192 A220 L224 | I130-I188 HydrophobicContact CD1-CD1 4.43Å; I130-I188 HydrophobicContact CD1-CG1 4.19Å; I130-I188 HydrophobicContact CD1-CG2 3.65Å; I130-I188 HydrophobicContact CG1-CG2 4.23Å; I130-I188 HydrophobicContact CG2-CD1 3.71Å; I130-I188 HydrophobicContact CG2-CG1 4.48Å; Y164-I188 HydrophobicContact CD1-CD1 4.1Å; Y164-I188 HydrophobicContact CD1-CG1 4.06Å; Y164-I188 HydrophobicContact CD2-CD1 4.16Å; Y164-I188 HydrophobicContact CD2-CG1 4.44Å; Y164-I188 HydrophobicContact CE1-CD1 4.39Å; Y164-I188 HydrophobicContact CE2-CD1 4.45Å; Y164-I188 HydrophobicContact CG-CD1 3.99Å; Y164-I188 HydrophobicContact CG-CG1 3.87Å; G184-I188 WeakPolarHBondContact O-CG1 3.48Å; G184-I188 PolarHBondContact O-N 3.13Å; L185-I188 HydrophobicContact CD2-CD1 4.25Å; L185-I188 PolarHBondContact O-N 3.02Å; L185-I188 VanDerWaalsContact O-N 3.15Å; I188-E190 VanDerWaalsContact C-N 3.33Å; I188-E190 PolarHBondContact O-N 2.94Å; I188-A191 WeakPolarHBondContact O-CB 3.4Å; I188-A191 PolarHBondContact O-N 3.23Å; I188-M192 HydrophobicContact CG2-CG 4.41Å; I188-M192 HydrophobicContact CG2-SD 4.18Å; I188-M192 VanDerWaalsContact O-CG 3.29Å; I188-M192 WeakPolarHBondContact O-CG 3.05Å; I188-M192 PolarHBondContact O-N 3.32Å; I188-A220 HydrophobicContact CD1-CB 4.29Å; I188-L224 HydrophobicContact CB-CD1 4.2Å; I188-L224 HydrophobicContact CD1-CD1 4.5Å; I188-L224 HydrophobicContact CG2-CD1 3.51Å |
| 189 | I | 98.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.031 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 178.4 | -67.3 | 168.9 | 0 | 0 | 0 | 111 | L185 S186 M192 K193 L224 K229 T230 L233 I348 | L185-I189 WeakPolarHBondContact O-CG1 3.15Å; L185-I189 PolarHBondContact O-N 2.85Å; S186-I189 PolarHBondContact O-N 2.95Å; I189-M192 WeakPolarHBondContact O-CB 3.34Å; I189-M192 PolarHBondContact O-N 3.05Å; I189-K193 HydrophobicContact CG2-CD 4.4Å; I189-K193 WeakPolarHBondContact O-CG 3.43Å; I189-K193 PolarHBondContact O-N 3.3Å; I189-L224 HydrophobicContact CD1-CD2 3.79Å; I189-L224 HydrophobicContact CG1-CD2 3.67Å; I189-K229 HydrophobicContact CD1-CB 3.95Å; I189-T230 HydrophobicContact CD1-CG2 4.27Å; I189-T230 HydrophobicContact CG1-CG2 4Å; I189-L233 HydrophobicContact CG2-CD1 4.16Å; I189-I348 HydrophobicContact CD1-CB 4.47Å; I189-I348 HydrophobicContact CD1-CD1 3.78Å; I189-I348 HydrophobicContact CD1-CG1 3.71Å; I189-I348 HydrophobicContact CD1-CG2 3.94Å |
| 190 | E | 98.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 20.9 Ų | 20.9 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 176.4 | -175.1 | 55.1 | -154.7 | 0 | 0 | 111.9 | Y57 A58 P70 S72 S186 D187 I188 M192 K193 W194 | Y57-E190 HydrophobicContact CD2-CB 4.36Å; Y57-E190 HydrophobicContact CD2-CG 4.1Å; Y57-E190 HydrophobicContact CE2-CB 4.36Å; Y57-E190 HydrophobicContact CE2-CG 4.48Å; A58-E190 HydrophobicContact CB-CG 4.32Å; P70-E190 HydrophobicContact CB-CB 4.21Å; P70-E190 HydrophobicContact CB-CG 4.29Å; P70-E190 HydrophobicContact CG-CB 3.67Å; P70-E190 HydrophobicContact CG-CG 4.2Å; S72-E190 WeakPolarHBondContact CA-OE1 3.4Å; S72-E190 VanDerWaalsContact CB-OE1 3.24Å; S72-E190 WeakPolarHBondContact CB-OE1 3.31Å; S72-E190 PolarHBondContact OG-OE1 3.27Å; S186-E190 WeakPolarHBondContact O-CB 3.49Å; S186-E190 PolarHBondContact O-N 3.2Å; D187-E190 PolarHBondContact O-N 3.26Å; I188-E190 VanDerWaalsContact C-N 3.33Å; I188-E190 PolarHBondContact O-N 2.94Å; E190-M192 PolarHBondContact O-N 3.13Å; E190-K193 PolarHBondContact O-N 3.23Å; E190-W194 WeakPolarHBondContact O-CB 3.42Å; E190-W194 PolarHBondContact O-N 3.12Å |
| 191 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y57 L110 V162 D187 I188 K193 W194 I195 | Y57-A191 HydrophobicContact CD1-CB 4.13Å; Y57-A191 HydrophobicContact CD2-CB 3.96Å; Y57-A191 HydrophobicContact CE1-CB 4.11Å; Y57-A191 HydrophobicContact CE2-CB 3.96Å; Y57-A191 HydrophobicContact CG-CB 4.04Å; L110-A191 HydrophobicContact CD2-CB 4.29Å; V162-A191 HydrophobicContact CB-CB 4.43Å; V162-A191 HydrophobicContact CG1-CB 3.53Å; V162-A191 HydrophobicContact CG2-CB 3.97Å; D187-A191 PolarHBondContact O-N 3.28Å; I188-A191 WeakPolarHBondContact O-CB 3.4Å; I188-A191 PolarHBondContact O-N 3.23Å; A191-K193 PolarHBondContact O-N 3.08Å; A191-W194 WeakPolarHBondContact O-CB 3.19Å; A191-W194 PolarHBondContact O-N 3.49Å; A191-I195 WeakPolarHBondContact O-CD1 3.42Å; A191-I195 WeakPolarHBondContact O-CG1 3.21Å; A191-I195 PolarHBondContact O-N 3.02Å |
| 192 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.5 | -67.6 | 172.3 | 80.2 | 0 | 0 | 111.7 | I128 I188 I189 E190 W194 I195 K196 L211 L233 M234 | I128-M192 HydrophobicContact CD1-CB 4.48Å; I128-M192 HydrophobicContact CD1-CG 3.97Å; I188-M192 HydrophobicContact CG2-CG 4.41Å; I188-M192 HydrophobicContact CG2-SD 4.18Å; I188-M192 VanDerWaalsContact O-CG 3.29Å; I188-M192 WeakPolarHBondContact O-CG 3.05Å; I188-M192 PolarHBondContact O-N 3.32Å; I189-M192 WeakPolarHBondContact O-CB 3.34Å; I189-M192 PolarHBondContact O-N 3.05Å; E190-M192 PolarHBondContact O-N 3.13Å; M192-W194 VanDerWaalsContact C-N 3.35Å; M192-W194 PolarHBondContact O-N 3.49Å; M192-I195 PolarHBondContact O-N 2.8Å; M192-K196 WeakPolarHBondContact O-CG 3.38Å; M192-K196 PolarHBondContact O-N 2.76Å; M192-L211 HydrophobicContact CE-CD1 4.36Å; M192-L211 HydrophobicContact CE-CD2 3.99Å; M192-L211 HydrophobicContact SD-CD1 4.32Å; M192-L211 HydrophobicContact SD-CD2 4.15Å; M192-L233 HydrophobicContact CB-CB 4.26Å; M192-L233 HydrophobicContact CB-CD1 4.02Å; M192-L233 HydrophobicContact CE-CB 3.69Å; M192-M234 HydrophobicContact CE-CB 3.96Å; M192-M234 HydrophobicContact CE-CG 4.12Å; M192-M234 HydrophobicContact CE-SD 3.84Å |
| 193 | K | 98.8 | Very high | 98.4 | Very high | 96 Ų | 96 | 19.9 Ų | 19.9 | 42% | 0.417 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 174.4 | -71.1 | 170.5 | -177.5 | 170.2 | 0 | 112 | I189 E190 A191 I195 K196 R197 L233 | I189-K193 HydrophobicContact CG2-CD 4.4Å; I189-K193 WeakPolarHBondContact O-CG 3.43Å; I189-K193 PolarHBondContact O-N 3.3Å; E190-K193 PolarHBondContact O-N 3.23Å; A191-K193 PolarHBondContact O-N 3.08Å; K193-I195 VanDerWaalsContact C-N 3.32Å; K193-I195 PolarHBondContact O-N 3.4Å; K193-K196 PolarHBondContact O-N 2.8Å; K193-R197 PolarHBondContact O-N 2.95Å; K193-L233 HydrophobicContact CG-CD1 4.04Å; K193-L233 HydrophobicContact CG-CD2 4.2Å |
| 194 | W | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 173.7 | -176 | 105.1 | 0 | 0 | 0 | 110.8 | L31 I55 L110 E190 A191 M192 R197 E198 F202 | L31-W194 HydrophobicContact CD1-CH2 4.49Å; L31-W194 HydrophobicContact CD1-CZ2 3.69Å; L31-W194 HydrophobicContact CD2-CZ2 4.46Å; I55-W194 HydrophobicContact CD1-CH2 4.19Å; I55-W194 HydrophobicContact CG2-CH2 4.04Å; I55-W194 HydrophobicContact CG2-CZ2 3.47Å; I55-W194 VanDerWaalsContact CG2-CZ2 3.47Å; L110-W194 HydrophobicContact CD1-CE3 4.06Å; L110-W194 HydrophobicContact CD1-CH2 3.9Å; L110-W194 HydrophobicContact CD1-CZ3 3.63Å; L110-W194 HydrophobicContact CD2-CD2 3.95Å; L110-W194 HydrophobicContact CD2-CE3 3.52Å; L110-W194 HydrophobicContact CD2-CG 4.44Å; L110-W194 HydrophobicContact CD2-CZ3 3.98Å; L110-W194 HydrophobicContact CG-CE3 4.38Å; L110-W194 HydrophobicContact CG-CZ3 4.42Å; E190-W194 WeakPolarHBondContact O-CB 3.42Å; E190-W194 PolarHBondContact O-N 3.12Å; A191-W194 WeakPolarHBondContact O-CB 3.19Å; A191-W194 PolarHBondContact O-N 3.49Å; M192-W194 VanDerWaalsContact C-N 3.35Å; M192-W194 PolarHBondContact O-N 3.49Å; W194-R197 VanDerWaalsContact CD1-NH2 3.26Å; W194-R197 PolarHBondContact O-N 2.81Å; W194-R197 VanDerWaalsContact O-N 3.16Å; W194-E198 HydrophobicContact CD2-CB 4.11Å; W194-E198 HydrophobicContact CD2-CG 3.9Å; W194-E198 HydrophobicContact CE3-CB 4.11Å; W194-E198 HydrophobicContact CE3-CG 4.4Å; W194-E198 HydrophobicContact CG-CG 4.29Å; W194-E198 HydrophobicContact CH2-CB 3.88Å; W194-E198 HydrophobicContact CH2-CG 4.42Å; W194-E198 HydrophobicContact CZ2-CB 3.88Å; W194-E198 HydrophobicContact CZ2-CG 3.92Å; W194-E198 HydrophobicContact CZ3-CB 4Å; W194-E198 WeakPolarHBondContact O-CB 3.46Å; W194-E198 WeakPolarHBondContact O-CG 3.35Å; W194-E198 PolarHBondContact O-N 3.36Å; W194-F202 AromaticContact CH2-CE2 3.71Å; W194-F202 HydrophobicContact CH2-CE2 3.71Å; W194-F202 AromaticContact CH2-CZ 3.93Å; W194-F202 HydrophobicContact CH2-CZ 3.93Å; W194-F202 HydrophobicContact CZ3-CE2 4.37Å |
| 195 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | -179.7 | -68.9 | 161.6 | 0 | 0 | 0 | 110.3 | L110 V126 I128 V160 V162 A191 M192 K193 R197 E198 I199 | L110-I195 HydrophobicContact CD2-CD1 4.39Å; L110-I195 HydrophobicContact CD2-CG1 4.19Å; V126-I195 HydrophobicContact CG1-CG2 4.13Å; I128-I195 HydrophobicContact CB-CD1 4.37Å; I128-I195 HydrophobicContact CD1-CB 4.3Å; I128-I195 HydrophobicContact CD1-CD1 3.53Å; I128-I195 HydrophobicContact CD1-CG2 4.05Å; I128-I195 HydrophobicContact CG1-CD1 3.7Å; I128-I195 HydrophobicContact CG1-CG2 4.4Å; I128-I195 HydrophobicContact CG2-CD1 3.85Å; V160-I195 HydrophobicContact CB-CD1 4.28Å; V160-I195 HydrophobicContact CG1-CD1 3.74Å; V160-I195 HydrophobicContact CG1-CG1 4.3Å; V162-I195 HydrophobicContact CG2-CD1 4.48Å; A191-I195 WeakPolarHBondContact O-CD1 3.42Å; A191-I195 WeakPolarHBondContact O-CG1 3.21Å; A191-I195 PolarHBondContact O-N 3.02Å; M192-I195 PolarHBondContact O-N 2.8Å; K193-I195 VanDerWaalsContact C-N 3.32Å; K193-I195 PolarHBondContact O-N 3.4Å; I195-R197 PolarHBondContact O-N 2.85Å; I195-R197 VanDerWaalsContact O-N 3.14Å; I195-E198 PolarHBondContact O-N 2.87Å; I195-I199 HydrophobicContact CG2-CB 3.94Å; I195-I199 HydrophobicContact CG2-CD1 4.45Å; I195-I199 HydrophobicContact CG2-CG1 4.16Å; I195-I199 HydrophobicContact CG2-CG2 4.23Å; I195-I199 WeakPolarHBondContact O-CB 3.27Å; I195-I199 WeakPolarHBondContact O-CG2 3.21Å; I195-I199 PolarHBondContact O-N 3.24Å |
| 196 | K | 98.5 | Very high | 98.5 | Very high | 50 Ų | 50 | 22.2 Ų | 22.2 | 22% | 0.217 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -56.8 | -33 | 176.8 | -68.1 | -69.3 | -69.8 | -159.1 | 0 | 112.8 | M192 K193 S206 V209 N232 L233 E235 | M192-K196 WeakPolarHBondContact O-CG 3.38Å; M192-K196 PolarHBondContact O-N 2.76Å; K193-K196 PolarHBondContact O-N 2.8Å; K196-S206 WeakPolarHBondContact CD-O 3.49Å; K196-S206 WeakPolarHBondContact CE-O 3.41Å; K196-S206 PolarHBondContact NZ-O 3.41Å; K196-S206 WeakPolarHBondContact O-CB 3.48Å; K196-V209 HydrophobicContact CD-CG2 4.09Å; K196-N232 WeakPolarHBondContact CE-O 3.44Å; K196-N232 PolarHBondContact NZ-O 2.69Å; K196-L233 HydrophobicContact CG-CD2 3.86Å; K196-E235 IonicContact NZ-OE1 2.92Å; K196-E235 PolarHBondContact NZ-OE1 3.06Å |
| 197 | R | 97.9 | Very high | 98.4 | Very high | 98 Ų | 98 | 25.1 Ų | 25.1 | 37% | 0.37 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -81.5 | -40.7 | -179.4 | -173.9 | 177.5 | 61.8 | -107.2 | 2.4 | 113.4 | T32 K193 W194 I195 | T32-R197 HydrophobicContact CG2-CG 4.43Å; K193-R197 PolarHBondContact O-N 2.95Å; W194-R197 VanDerWaalsContact CD1-NH2 3.26Å; W194-R197 PolarHBondContact O-N 2.81Å; W194-R197 VanDerWaalsContact O-N 3.16Å; I195-R197 PolarHBondContact O-N 2.85Å; I195-R197 VanDerWaalsContact O-N 3.14Å |
| 198 | E | 98.2 | Very high | 98.4 | Very high | 6 Ų | 6 | 29.5 Ų | 29.5 | 3% | 0.028 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -109.6 | -19.9 | -165 | -57.5 | -58 | 160.2 | 0 | 0 | 114.5 | L31 T32 W194 I195 N200 A201 | L31-E198 WeakPolarHBondContact CA-OE2 3.49Å; L31-E198 WeakPolarHBondContact CB-OE2 3.12Å; L31-E198 HydrophobicContact CD2-CB 4.2Å; T32-E198 WeakPolarHBondContact CB-OE1 3.29Å; T32-E198 WeakPolarHBondContact CG2-OE1 3.38Å; T32-E198 PolarHBondContact N-OE2 3.5Å; T32-E198 PolarHBondContact OG1-OE1 3.25Å; W194-E198 HydrophobicContact CD2-CB 4.11Å; W194-E198 HydrophobicContact CD2-CG 3.9Å; W194-E198 HydrophobicContact CE3-CB 4.11Å; W194-E198 HydrophobicContact CE3-CG 4.4Å; W194-E198 HydrophobicContact CG-CG 4.29Å; W194-E198 HydrophobicContact CH2-CB 3.88Å; W194-E198 HydrophobicContact CH2-CG 4.42Å; W194-E198 HydrophobicContact CZ2-CB 3.88Å; W194-E198 HydrophobicContact CZ2-CG 3.92Å; W194-E198 HydrophobicContact CZ3-CB 4Å; W194-E198 WeakPolarHBondContact O-CB 3.46Å; W194-E198 WeakPolarHBondContact O-CG 3.35Å; W194-E198 PolarHBondContact O-N 3.36Å; I195-E198 PolarHBondContact O-N 2.87Å; E198-N200 PolarHBondContact O-N 2.89Å; E198-N200 VanDerWaalsContact O-N 3.11Å; E198-A201 VanDerWaalsContact O-CB 3.27Å; E198-A201 WeakPolarHBondContact O-CB 3.28Å; E198-A201 PolarHBondContact O-N 3.19Å |
| 199 | I | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -64.7 | -25.5 | -166.1 | -156.6 | 62.3 | 0 | 0 | 0 | 113.8 | V112 V126 I158 V160 I195 A201 F202 G204 | V112-I199 HydrophobicContact CG1-CD1 4.22Å; V112-I199 HydrophobicContact CG2-CD1 4.38Å; V126-I199 HydrophobicContact CG1-CD1 4.42Å; V126-I199 HydrophobicContact CG1-CG1 4Å; V126-I199 HydrophobicContact CG2-CG1 3.69Å; V126-I199 HydrophobicContact CG2-CG2 4.16Å; I158-I199 HydrophobicContact CG2-CD1 4.01Å; I158-I199 HydrophobicContact CG2-CG1 4.47Å; V160-I199 HydrophobicContact CG2-CD1 3.98Å; I195-I199 HydrophobicContact CG2-CB 3.94Å; I195-I199 HydrophobicContact CG2-CD1 4.45Å; I195-I199 HydrophobicContact CG2-CG1 4.16Å; I195-I199 HydrophobicContact CG2-CG2 4.23Å; I195-I199 WeakPolarHBondContact O-CB 3.27Å; I195-I199 WeakPolarHBondContact O-CG2 3.21Å; I195-I199 PolarHBondContact O-N 3.24Å; I199-A201 PolarHBondContact O-N 3.47Å; I199-F202 HydrophobicContact CD1-CB 4.46Å; I199-F202 HydrophobicContact CD1-CD2 4.16Å; I199-F202 WeakPolarHBondContact O-CA 2.99Å; I199-F202 WeakPolarHBondContact O-CB 3.04Å; I199-F202 PolarHBondContact O-N 2.93Å; I199-G204 PolarHBondContact O-N 2.92Å; I199-G204 VanDerWaalsContact O-N 3.09Å |
| 200 | N | 98.1 | Very high | 98.4 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 46% | 0.455 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -60.5 | -29 | 174.9 | -64.3 | 5.2 | 0 | 0 | 0 | 112.1 | E198 F202 G203 G204 S206 | E198-N200 PolarHBondContact O-N 2.89Å; E198-N200 VanDerWaalsContact O-N 3.11Å; N200-F202 PolarHBondContact O-N 3.5Å; N200-G203 PolarHBondContact O-N 3.2Å; N200-G204 WeakPolarHBondContact CA-O 3.21Å; N200-G204 PolarHBondContact OD1-O 3.33Å; N200-S206 WeakPolarHBondContact OD1-CB 3.36Å; N200-S206 PolarHBondContact OD1-N 2.9Å; N200-S206 VanDerWaalsContact OD1-N 3.11Å; N200-S206 PolarHBondContact OD1-OG 3.48Å |
| 201 | A | 97.2 | Very high | 98.4 | Very high | 44 Ų | 44 | 28.7 Ų | 28.7 | 36% | 0.364 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -65.8 | -18.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | V29 L31 E198 I199 | V29-A201 HydrophobicContact CG1-CB 3.72Å; L31-A201 HydrophobicContact CD2-CB 4.21Å; E198-A201 VanDerWaalsContact O-CB 3.27Å; E198-A201 WeakPolarHBondContact O-CB 3.28Å; E198-A201 PolarHBondContact O-N 3.19Å; I199-A201 PolarHBondContact O-N 3.47Å |
| 202 | F | 97.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -97.9 | 2.5 | 176.2 | -57 | -96.1 | 0 | 0 | 0 | 112.5 | V29 L31 I36 R50 F52 I55 V112 I158 W194 I199 N200 | V29-F202 HydrophobicContact CB-CE1 4.39Å; V29-F202 HydrophobicContact CG1-CD1 4.42Å; V29-F202 HydrophobicContact CG1-CE1 4.15Å; V29-F202 HydrophobicContact CG1-CE2 4.31Å; V29-F202 HydrophobicContact CG1-CZ 4.1Å; V29-F202 HydrophobicContact CG2-CD1 4.33Å; V29-F202 HydrophobicContact CG2-CE1 4.37Å; L31-F202 HydrophobicContact CD2-CE2 3.53Å; L31-F202 HydrophobicContact CD2-CZ 3.72Å; I36-F202 HydrophobicContact CD1-CE1 3.81Å; I36-F202 HydrophobicContact CD1-CZ 3.64Å; R50-F202 PolarHBondContact NH2-O 3.1Å; F52-F202 HydrophobicContact CB-CE1 4.37Å; F52-F202 HydrophobicContact CD1-CE1 4.29Å; F52-F202 AromaticContact CD2-CD1 3.78Å; F52-F202 HydrophobicContact CD2-CD1 3.78Å; F52-F202 AromaticContact CD2-CE1 3.58Å; F52-F202 HydrophobicContact CD2-CE1 3.58Å; F52-F202 AromaticContact CE2-CD1 3.8Å; F52-F202 HydrophobicContact CE2-CD1 3.8Å; F52-F202 AromaticContact CE2-CE1 3.88Å; F52-F202 HydrophobicContact CE2-CE1 3.88Å; F52-F202 HydrophobicContact CG-CD1 4.48Å; F52-F202 AromaticContact CG-CE1 3.83Å; F52-F202 HydrophobicContact CG-CE1 3.83Å; F52-F202 HydrophobicContact CZ-CE1 4.36Å; I55-F202 HydrophobicContact CD1-CE1 4.19Å; I55-F202 HydrophobicContact CD1-CZ 3.93Å; V112-F202 HydrophobicContact CB-CD1 4.17Å; V112-F202 HydrophobicContact CB-CE1 4.17Å; V112-F202 HydrophobicContact CG1-CB 4.16Å; V112-F202 HydrophobicContact CG1-CD1 3.68Å; V112-F202 HydrophobicContact CG1-CE1 4.18Å; V112-F202 HydrophobicContact CG1-CG 3.91Å; V112-F202 HydrophobicContact CG2-CE1 4.32Å; V112-F202 HydrophobicContact CG2-CZ 4.36Å; I158-F202 HydrophobicContact CD1-CB 4.14Å; I158-F202 WeakPolarHBondContact CD1-O 3.43Å; W194-F202 AromaticContact CH2-CE2 3.71Å; W194-F202 HydrophobicContact CH2-CE2 3.71Å; W194-F202 AromaticContact CH2-CZ 3.93Å; W194-F202 HydrophobicContact CH2-CZ 3.93Å; W194-F202 HydrophobicContact CZ3-CE2 4.37Å; I199-F202 HydrophobicContact CD1-CB 4.46Å; I199-F202 HydrophobicContact CD1-CD2 4.16Å; I199-F202 WeakPolarHBondContact O-CA 2.99Å; I199-F202 WeakPolarHBondContact O-CB 3.04Å; I199-F202 PolarHBondContact O-N 2.93Å; N200-F202 PolarHBondContact O-N 3.5Å |
| 203 | G | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 22.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P123 C124 N200 | P123-G203 CarbonylContact C-O 3.55Å; P123-G203 VanDerWaalsContact CA-O 3.3Å; P123-G203 WeakPolarHBondContact CA-O 3.34Å; C124-G203 PolarHBondContact N-O 3.27Å; N200-G203 PolarHBondContact O-N 3.2Å |
| 204 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 155.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C124 I158 I199 N200 | C124-G204 CarbonylContact O-C 3.6Å; C124-G204 WeakPolarHBondContact O-CA 3.31Å; I158-G204 VanDerWaalsContact CD1-CA 3.42Å; I158-G204 VanDerWaalsContact CD1-N 3.29Å; I199-G204 PolarHBondContact O-N 2.92Å; I199-G204 VanDerWaalsContact O-N 3.09Å; N200-G204 WeakPolarHBondContact CA-O 3.21Å; N200-G204 PolarHBondContact OD1-O 3.33Å |
| 205 | D | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 25.6 Ų | 25.6 | 14% | 0.144 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 102.6 | 172.6 | -174 | -12.6 | 0 | 0 | 0 | 109.2 | P123 C124 S207 R208 | P123-D205 HydrophobicContact CB-CB 3.96Å; P123-D205 HydrophobicContact CG-CB 4.37Å; C124-D205 WeakPolarHBondContact O-CB 3.48Å; C124-D205 PolarHBondContact O-N 3.07Å; D205-S207 PolarHBondContact O-N 3.49Å; D205-S207 VanDerWaalsContact O-N 3.08Å; D205-S207 WeakPolarHBondContact OD1-CA 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 3.22Å; D205-S207 PolarHBondContact OD1-OG 2.97Å; D205-R208 HydrophobicContact CB-CB 4.21Å; D205-R208 PolarHBondContact O-N 2.76Å; D205-R208 WeakPolarHBondContact OD2-CG 3.34Å; D205-R208 IonicContact OD2-CZ 3.98Å; D205-R208 IonicContact OD2-NE 3.78Å; D205-R208 PolarHBondContact OD2-NE 2.91Å; D205-R208 IonicContact OD2-NH2 3.71Å |
| 206 | S | 98 | Very high | 98 | Very high | 27 Ų | 27 | 26 Ų | 26 | 19% | 0.189 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -12.2 | 178.2 | 67 | 0 | 0 | 0 | 0 | 113.8 | K196 N200 | K196-S206 WeakPolarHBondContact CD-O 3.49Å; K196-S206 WeakPolarHBondContact CE-O 3.41Å; K196-S206 PolarHBondContact NZ-O 3.41Å; K196-S206 WeakPolarHBondContact O-CB 3.48Å; N200-S206 WeakPolarHBondContact OD1-CB 3.36Å; N200-S206 PolarHBondContact OD1-N 2.9Å; N200-S206 VanDerWaalsContact OD1-N 3.11Å; N200-S206 PolarHBondContact OD1-OG 3.48Å |
| 207 | S | 97.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 23.6 Ų | 23.6 | 50% | 0.503 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -3.2 | 173.6 | 75.9 | 0 | 0 | 0 | 0 | 114.1 | D205 E235 | D205-S207 PolarHBondContact O-N 3.49Å; D205-S207 VanDerWaalsContact O-N 3.08Å; D205-S207 WeakPolarHBondContact OD1-CA 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 3.22Å; D205-S207 PolarHBondContact OD1-OG 2.97Å; S207-E235 WeakPolarHBondContact O-CG 3.3Å |
| 208 | R | 98.5 | Very high | 97.9 | Very high | 91 Ų | 91 | 18.9 Ų | 18.9 | 34% | 0.343 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 68.1 | 177.6 | -66.2 | -167.1 | -64.3 | 155.8 | -0.1 | 110.9 | P123 P125 V126 D205 | P123-R208 PolarHBondContact O-NH2 2.98Å; P125-R208 HydrophobicContact CB-CB 4.17Å; V126-R208 PolarHBondContact N-O 3.23Å; D205-R208 HydrophobicContact CB-CB 4.21Å; D205-R208 PolarHBondContact O-N 2.76Å; D205-R208 WeakPolarHBondContact OD2-CG 3.34Å; D205-R208 IonicContact OD2-CZ 3.98Å; D205-R208 IonicContact OD2-NE 3.78Å; D205-R208 PolarHBondContact OD2-NE 2.91Å; D205-R208 IonicContact OD2-NH2 3.71Å |
| 209 | V | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.2 | -177.9 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | V126 I128 K196 M234 E235 | V126-V209 HydrophobicContact CB-CG2 4.34Å; V126-V209 WeakPolarHBondContact O-CA 3.24Å; I128-V209 HydrophobicContact CD1-CG1 3.4Å; I128-V209 VanDerWaalsContact CD1-CG1 3.4Å; I128-V209 HydrophobicContact CG1-CG1 3.82Å; K196-V209 HydrophobicContact CD-CG2 4.09Å; V209-M234 HydrophobicContact CG1-CB 4.43Å; V209-E235 PolarHBondContact O-N 3.47Å |
| 210 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.1 | 173.1 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | V126 V127 I128 Q236 I238 V521 | V126-T210 PolarHBondContact O-N 3.32Å; V127-T210 CarbonylContact C-O 3.53Å; V127-T210 WeakPolarHBondContact CA-O 3.38Å; I128-T210 PolarHBondContact N-O 3.05Å; T210-Q236 WeakPolarHBondContact CA-O 3.32Å; T210-Q236 HydrophobicContact CG2-CG 3.99Å; T210-Q236 VanDerWaalsContact OG1-CG 3.27Å; T210-Q236 WeakPolarHBondContact OG1-CG 3.1Å; T210-Q236 PolarHBondContact OG1-NE2 3.14Å; T210-I238 HydrophobicContact CG2-CD1 3.8Å; T210-I238 HydrophobicContact CG2-CG1 3.8Å; T210-V521 HydrophobicContact CG2-CG2 4.23Å |
| 211 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 119.7 | 171.5 | -171.4 | 65.3 | 0 | 0 | 0 | 109.2 | I128 I130 M192 V221 L224 M234 Q236 A237 I238 | I128-L211 HydrophobicContact CB-CD1 3.78Å; I128-L211 HydrophobicContact CG2-CD1 3.89Å; I130-L211 HydrophobicContact CD1-CD1 4.11Å; I130-L211 HydrophobicContact CG1-CD1 3.81Å; M192-L211 HydrophobicContact CE-CD1 4.36Å; M192-L211 HydrophobicContact CE-CD2 3.99Å; M192-L211 HydrophobicContact SD-CD1 4.32Å; M192-L211 HydrophobicContact SD-CD2 4.15Å; L211-V221 HydrophobicContact CB-CG1 4.26Å; L211-V221 HydrophobicContact CD1-CG2 4.36Å; L211-V221 HydrophobicContact CD2-CB 4.18Å; L211-V221 HydrophobicContact CD2-CG1 3.96Å; L211-V221 HydrophobicContact CD2-CG2 3.85Å; L211-V221 HydrophobicContact CG-CB 4.28Å; L211-V221 HydrophobicContact CG-CG1 3.92Å; L211-V221 HydrophobicContact CG-CG2 3.61Å; L211-L224 HydrophobicContact CD2-CB 4.08Å; L211-L224 HydrophobicContact CD2-CD1 3.94Å; L211-M234 HydrophobicContact CB-CB 4.22Å; L211-M234 HydrophobicContact CB-CG 4.48Å; L211-M234 HydrophobicContact CB-SD 3.44Å; L211-M234 WeakPolarHBondContact CB-SD 3.37Å; L211-M234 HydrophobicContact CD2-CE 4.47Å; L211-M234 HydrophobicContact CD2-SD 3.45Å; L211-M234 WeakPolarHBondContact CD2-SD 3.33Å; L211-M234 HydrophobicContact CG-SD 4.07Å; L211-Q236 PolarHBondContact N-O 2.88Å; L211-Q236 VanDerWaalsContact N-O 3.07Å; L211-A237 CarbonylContact O-C 3.6Å; L211-A237 WeakPolarHBondContact O-CA 3.42Å; L211-I238 PolarHBondContact O-N 3.34Å |
| 212 | M | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.2 | -175.8 | -178.5 | 175.5 | -177.4 | 0 | 0 | 110 | V127 I128 F129 I130 F159 I238 M240 L517 | V127-M212 HydrophobicContact CG1-CB 3.7Å; V127-M212 HydrophobicContact CG1-CG 4.46Å; V127-M212 HydrophobicContact CG1-SD 3.93Å; I128-M212 PolarHBondContact O-N 3.48Å; I128-M212 VanDerWaalsContact O-O 3.09Å; F129-M212 CarbonylContact C-O 3.57Å; F129-M212 VanDerWaalsContact CA-O 3.31Å; F129-M212 WeakPolarHBondContact CA-O 3.47Å; F129-M212 HydrophobicContact CD2-CB 4.22Å; F129-M212 HydrophobicContact CD2-CE 4.44Å; F129-M212 HydrophobicContact CD2-CG 3.76Å; F129-M212 HydrophobicContact CD2-SD 4Å; F129-M212 HydrophobicContact CE2-CE 4.35Å; F129-M212 HydrophobicContact CE2-CG 4.15Å; F129-M212 HydrophobicContact CE2-SD 4.47Å; I130-M212 PolarHBondContact N-O 3.08Å; F159-M212 HydrophobicContact CE2-SD 4.39Å; M212-I238 CarbonylContact C-O 3.41Å; M212-I238 VanDerWaalsContact CA-O 3.3Å; M212-I238 WeakPolarHBondContact CA-O 3.29Å; M212-I238 HydrophobicContact CB-CB 4.06Å; M212-I238 HydrophobicContact CE-CG2 4.2Å; M212-I238 HydrophobicContact CG-CB 3.82Å; M212-I238 HydrophobicContact CG-CD1 4.44Å; M212-I238 HydrophobicContact CG-CG2 3.86Å; M212-I238 HydrophobicContact SD-CD1 4.2Å; M212-I238 HydrophobicContact SD-CG2 4.39Å; M212-M240 HydrophobicContact CE-SD 3.28Å; M212-M240 WeakPolarHBondContact CE-SD 3.49Å; M212-L517 HydrophobicContact CE-CD1 4.1Å; M212-L517 HydrophobicContact CE-CD2 4.49Å |
| 213 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 154.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I130 G218 I238 M240 | I130-G213 WeakPolarHBondContact O-CA 3.47Å; G213-G218 VanDerWaalsContact C-CA 3.46Å; G213-G218 WeakPolarHBondContact O-CA 3.25Å; G213-I238 PolarHBondContact N-O 3.43Å; G213-M240 PolarHBondContact O-N 2.03Å |
| 214 | H | 97 | Very high | 98.1 | Very high | 6 Ų | 6 | 12.7 Ų | 12.7 | 3% | 0.028 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.7 | 179.1 | 165.6 | -85.4 | 0 | 0 | 0 | 112.5 | F129 I130 G132 S216 G217 G218 M240 H487 S488 D490 L491 | F129-H214 HydrophobicContact CZ-CB 4.27Å; I130-H214 PolarHBondContact O-N 2.56Å; G132-H214 WeakPolarHBondContact CA-O 3.09Å; G132-H214 PolarHBondContact N-O 3.3Å; H214-S216 PolarHBondContact O-N 3.09Å; H214-G217 VanDerWaalsContact O-CA 3.32Å; H214-G217 WeakPolarHBondContact O-CA 3.32Å; H214-G217 PolarHBondContact O-N 2.92Å; H214-G218 VanDerWaalsContact N-N 3.19Å; H214-G218 PolarHBondContact O-N 3.05Å; H214-M240 CarbonylContact C-O 3.5Å; H214-M240 VanDerWaalsContact CA-O 3.23Å; H214-M240 WeakPolarHBondContact CA-O 3.34Å; H214-M240 HydrophobicContact CB-CB 4.13Å; H214-H487 AromaticContact CE1-CE1 3.77Å; H214-H487 AromaticContact CE1-NE2 3.43Å; H214-H487 PolarHBondContact CE1-NE2 2.78Å; H214-H487 AromaticContact NE2-CE1 3.58Å; H214-H487 AromaticContact NE2-NE2 3.69Å; H214-S488 VanDerWaalsContact CE1-CB 3.49Å; H214-S488 WeakPolarHBondContact CE1-CB 3.43Å; H214-S488 PolarHBondContact CE1-OG 2.65Å; H214-S488 VanDerWaalsContact NE2-CA 3.29Å; H214-S488 WeakPolarHBondContact NE2-CA 3.3Å; H214-S488 WeakPolarHBondContact NE2-CB 3.41Å; H214-S488 PolarHBondContact NE2-OG 3.02Å; H214-D490 IonicContact CD2-OD1 2.65Å; H214-D490 IonicContact NE2-OD1 3.07Å; H214-L491 HydrophobicContact CB-CD1 3.73Å; H214-L491 HydrophobicContact CB-CD2 4.02Å; H214-L491 HydrophobicContact CB-CG 4.1Å; H214-L491 WeakPolarHBondContact ND1-CD1 3.47Å |
| 215 | S | 95.1 | Very high | 98 | Very high | 25 Ų | 25 | 12.6 Ų | 12.6 | 18% | 0.175 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -128.7 | 179.5 | -166 | 0 | 0 | 0 | 0 | 111.7 | G217 G218 S219 M240 S241 H487 | S215-G217 PolarHBondContact O-N 2.79Å; S215-G218 CarbonylContact O-C 3.49Å; S215-G218 WeakPolarHBondContact O-CA 3.13Å; S215-G218 PolarHBondContact O-N 2.96Å; S215-S219 PolarHBondContact O-N 3.39Å; S215-M240 PolarHBondContact N-O 3.39Å; S215-S241 WeakPolarHBondContact CA-O 3.46Å; S215-H487 WeakPolarHBondContact CB-NE2 3.37Å; S215-H487 PolarHBondContact OG-NE2 3.36Å |
| 216 | S | 95.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 6% | 0.056 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -54.9 | -32.3 | 169.4 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | G132 G133 E134 F135 H214 G218 S219 A220 | G132-S216 VanDerWaalsContact C-OG 3.24Å; G132-S216 WeakPolarHBondContact CA-OG 3.39Å; G133-S216 PolarHBondContact N-OG 2.93Å; G133-S216 VanDerWaalsContact N-OG 3.14Å; E134-S216 PolarHBondContact N-OG 3.08Å; F135-S216 WeakPolarHBondContact CE1-O 3.31Å; F135-S216 WeakPolarHBondContact CZ-O 3.12Å; F135-S216 PolarHBondContact N-OG 3.32Å; H214-S216 PolarHBondContact O-N 3.09Å; S216-G218 VanDerWaalsContact C-N 3.34Å; S216-S219 PolarHBondContact O-N 3.1Å; S216-A220 WeakPolarHBondContact O-CB 3.41Å; S216-A220 PolarHBondContact O-N 3.06Å |
| 217 | G | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65.9 | -37.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H131 H214 S215 A220 V221 | H131-G217 VanDerWaalsContact O-CA 3.23Å; H131-G217 WeakPolarHBondContact O-CA 3.37Å; H131-G217 PolarHBondContact O-N 3.35Å; H214-G217 VanDerWaalsContact O-CA 3.32Å; H214-G217 WeakPolarHBondContact O-CA 3.32Å; H214-G217 PolarHBondContact O-N 2.92Å; S215-G217 PolarHBondContact O-N 2.79Å; G217-A220 WeakPolarHBondContact O-CB 3.49Å; G217-A220 PolarHBondContact O-N 2.97Å; G217-V221 VanDerWaalsContact O-CG2 3.32Å; G217-V221 WeakPolarHBondContact O-CG2 3.48Å; G217-V221 PolarHBondContact O-N 2.86Å |
| 218 | G | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | G213 H214 S215 S216 A220 V221 S222 V239 | G213-G218 VanDerWaalsContact C-CA 3.46Å; G213-G218 WeakPolarHBondContact O-CA 3.25Å; H214-G218 VanDerWaalsContact N-N 3.19Å; H214-G218 PolarHBondContact O-N 3.05Å; S215-G218 CarbonylContact O-C 3.49Å; S215-G218 WeakPolarHBondContact O-CA 3.13Å; S215-G218 PolarHBondContact O-N 2.96Å; S216-G218 VanDerWaalsContact C-N 3.34Å; G218-A220 VanDerWaalsContact C-N 3.31Å; G218-A220 PolarHBondContact O-N 3.48Å; G218-V221 PolarHBondContact O-N 2.8Å; G218-S222 WeakPolarHBondContact O-CB 3.26Å; G218-S222 PolarHBondContact O-N 2.88Å; G218-V239 WeakPolarHBondContact O-CG1 3.48Å |
| 219 | S | 97.7 | Very high | 97.6 | Very high | 7 Ų | 7 | 10.3 Ų | 10.3 | 5% | 0.049 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -60.1 | -40.4 | 169.8 | -71.1 | 0 | 0 | 0 | 0 | 111.9 | S215 S216 S222 L223 S243 | S215-S219 PolarHBondContact O-N 3.39Å; S216-S219 PolarHBondContact O-N 3.1Å; S219-S222 PolarHBondContact O-N 3.34Å; S219-L223 WeakPolarHBondContact O-CB 3.36Å; S219-L223 VanDerWaalsContact O-CG 3.24Å; S219-L223 WeakPolarHBondContact O-CG 3.24Å; S219-L223 PolarHBondContact O-N 2.79Å; S219-S243 WeakPolarHBondContact CB-O 3.41Å; S219-S243 PolarHBondContact OG-N 3.3Å; S219-S243 VanDerWaalsContact OG-N 3.1Å; S219-S243 PolarHBondContact OG-O 2.96Å |
| 220 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I130 F135 L185 I188 S216 G217 G218 S222 L223 L224 | I130-A220 HydrophobicContact CG2-CB 4.37Å; F135-A220 HydrophobicContact CE1-CB 3.92Å; F135-A220 HydrophobicContact CZ-CB 4.3Å; L185-A220 HydrophobicContact CD2-CB 3.96Å; I188-A220 HydrophobicContact CD1-CB 4.29Å; S216-A220 WeakPolarHBondContact O-CB 3.41Å; S216-A220 PolarHBondContact O-N 3.06Å; G217-A220 WeakPolarHBondContact O-CB 3.49Å; G217-A220 PolarHBondContact O-N 2.97Å; G218-A220 VanDerWaalsContact C-N 3.31Å; G218-A220 PolarHBondContact O-N 3.48Å; A220-S222 PolarHBondContact O-N 2.87Å; A220-L223 PolarHBondContact O-N 2.89Å; A220-L224 VanDerWaalsContact O-CB 3.31Å; A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 WeakPolarHBondContact O-CG 3.23Å; A220-L224 PolarHBondContact O-N 3.32Å |
| 221 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | I130 L211 G217 G218 L223 L224 T225 A237 V239 | I130-V221 HydrophobicContact CB-CG2 4.3Å; I130-V221 HydrophobicContact CG1-CG2 4.06Å; L211-V221 HydrophobicContact CB-CG1 4.26Å; L211-V221 HydrophobicContact CD1-CG2 4.36Å; L211-V221 HydrophobicContact CD2-CB 4.18Å; L211-V221 HydrophobicContact CD2-CG1 3.96Å; L211-V221 HydrophobicContact CD2-CG2 3.85Å; L211-V221 HydrophobicContact CG-CB 4.28Å; L211-V221 HydrophobicContact CG-CG1 3.92Å; L211-V221 HydrophobicContact CG-CG2 3.61Å; G217-V221 VanDerWaalsContact O-CG2 3.32Å; G217-V221 WeakPolarHBondContact O-CG2 3.48Å; G217-V221 PolarHBondContact O-N 2.86Å; G218-V221 PolarHBondContact O-N 2.8Å; V221-L223 PolarHBondContact O-N 3.05Å; V221-L224 PolarHBondContact O-N 3.28Å; V221-L224 VanDerWaalsContact O-N 3.16Å; V221-T225 WeakPolarHBondContact O-CG2 3.3Å; V221-T225 PolarHBondContact O-N 3.17Å; V221-A237 HydrophobicContact CG1-CB 3.79Å; V221-V239 HydrophobicContact CB-CG2 4.11Å; V221-V239 HydrophobicContact CG1-CG2 3.64Å |
| 222 | S | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | G218 S219 A220 L224 T225 A244 Y365 D459 | G218-S222 WeakPolarHBondContact O-CB 3.26Å; G218-S222 PolarHBondContact O-N 2.88Å; S219-S222 PolarHBondContact O-N 3.34Å; A220-S222 PolarHBondContact O-N 2.87Å; S222-L224 PolarHBondContact O-N 3.07Å; S222-T225 PolarHBondContact O-N 2.9Å; S222-T225 PolarHBondContact O-OG1 3.05Å; S222-A244 VanDerWaalsContact CB-N 3.3Å; S222-A244 VanDerWaalsContact OG-CB 3.23Å; S222-A244 WeakPolarHBondContact OG-CB 3.48Å; S222-A244 PolarHBondContact OG-N 3.46Å; S222-Y365 PolarHBondContact OG-OH 3.48Å; S222-D459 WeakPolarHBondContact CB-OD2 3.47Å; S222-D459 PolarHBondContact OG-OD2 2.86Å |
| 223 | L | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 174.9 | -74.3 | 168.3 | 0 | 0 | 0 | 112.4 | S219 A220 V221 T225 L226 S227 A244 A249 P340 L349 P353 | S219-L223 WeakPolarHBondContact O-CB 3.36Å; S219-L223 VanDerWaalsContact O-CG 3.24Å; S219-L223 WeakPolarHBondContact O-CG 3.24Å; S219-L223 PolarHBondContact O-N 2.79Å; A220-L223 PolarHBondContact O-N 2.89Å; V221-L223 PolarHBondContact O-N 3.05Å; L223-T225 PolarHBondContact O-N 3.35Å; L223-L226 WeakPolarHBondContact O-CB 3.46Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-S227 PolarHBondContact O-N 2.95Å; L223-A244 HydrophobicContact CD2-CB 3.57Å; L223-A244 HydrophobicContact CG-CB 3.76Å; L223-A249 WeakPolarHBondContact CD1-O 3.49Å; L223-P340 HydrophobicContact CD1-CB 3.94Å; L223-P340 HydrophobicContact CD1-CG 3.78Å; L223-L349 HydrophobicContact CB-CD2 4.23Å; L223-L349 HydrophobicContact CD1-CD1 4.34Å; L223-L349 HydrophobicContact CD2-CD1 3.91Å; L223-L349 HydrophobicContact CD2-CD2 4.01Å; L223-P353 HydrophobicContact CD2-CB 4.22Å; L223-P353 HydrophobicContact CD2-CG 3.7Å |
| 224 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.4 | -25 | 178.5 | -72.9 | 172.3 | 0 | 0 | 0 | 112 | I188 I189 L211 A220 V221 S222 L226 S227 T230 I348 | I188-L224 HydrophobicContact CB-CD1 4.2Å; I188-L224 HydrophobicContact CD1-CD1 4.5Å; I188-L224 HydrophobicContact CG2-CD1 3.51Å; I189-L224 HydrophobicContact CD1-CD2 3.79Å; I189-L224 HydrophobicContact CG1-CD2 3.67Å; L211-L224 HydrophobicContact CD2-CB 4.08Å; L211-L224 HydrophobicContact CD2-CD1 3.94Å; A220-L224 VanDerWaalsContact O-CB 3.31Å; A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 WeakPolarHBondContact O-CG 3.23Å; A220-L224 PolarHBondContact O-N 3.32Å; V221-L224 PolarHBondContact O-N 3.28Å; V221-L224 VanDerWaalsContact O-N 3.16Å; S222-L224 PolarHBondContact O-N 3.07Å; L224-L226 PolarHBondContact O-N 3.21Å; L224-S227 PolarHBondContact O-N 3.43Å; L224-T230 HydrophobicContact CB-CG2 4.09Å; L224-T230 HydrophobicContact CD2-CG2 3.75Å; L224-T230 HydrophobicContact CG-CG2 4.47Å; L224-T230 WeakPolarHBondContact O-CB 3.29Å; L224-T230 PolarHBondContact O-OG1 3.2Å; L224-I348 HydrophobicContact CD2-CG2 4.33Å |
| 225 | T | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.8 | -24.4 | 170.5 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | V221 S222 L223 M234 A237 R360 R361 M363 Y365 | V221-T225 WeakPolarHBondContact O-CG2 3.3Å; V221-T225 PolarHBondContact O-N 3.17Å; S222-T225 PolarHBondContact O-N 2.9Å; S222-T225 PolarHBondContact O-OG1 3.05Å; L223-T225 PolarHBondContact O-N 3.35Å; T225-M234 VanDerWaalsContact CA-CE 3.43Å; T225-M234 HydrophobicContact CG2-CE 3.67Å; T225-A237 HydrophobicContact CG2-CB 4Å; T225-R360 PolarHBondContact OG1-NH2 2.64Å; T225-R361 PolarHBondContact O-NH2 3.43Å; T225-M363 HydrophobicContact CG2-CE 4.49Å; T225-M363 HydrophobicContact CG2-SD 4.08Å; T225-Y365 HydrophobicContact CG2-CE2 3.91Å |
| 226 | L | 96.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -89.2 | -15.7 | 179 | -54.9 | 176.2 | 0 | 0 | 0 | 112.7 | L223 L224 A244 P353 L356 M357 R360 | L223-L226 WeakPolarHBondContact O-CB 3.46Å; L223-L226 PolarHBondContact O-N 3.38Å; L224-L226 PolarHBondContact O-N 3.21Å; L226-A244 HydrophobicContact CD1-CB 4.06Å; L226-P353 HydrophobicContact CD1-CB 3.83Å; L226-L356 HydrophobicContact CB-CB 4.05Å; L226-L356 HydrophobicContact CB-CD1 4.06Å; L226-L356 HydrophobicContact CD1-CB 4.27Å; L226-L356 HydrophobicContact CD2-CB 4.42Å; L226-L356 HydrophobicContact CG-CB 4.48Å; L226-M357 HydrophobicContact CD1-CE 3.98Å; L226-M357 HydrophobicContact CD1-CG 3.99Å; L226-M357 HydrophobicContact CD2-CG 3.7Å; L226-R360 HydrophobicContact CD2-CB 3.72Å |
| 227 | S | 96.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -77 | 135.6 | -175.5 | -171.5 | 0 | 0 | 0 | 0 | 111.5 | L223 L224 K229 T230 I348 R361 | L223-S227 PolarHBondContact O-N 2.95Å; L224-S227 PolarHBondContact O-N 3.43Å; S227-K229 PolarHBondContact O-N 3.06Å; S227-K229 WeakPolarHBondContact OG-CB 3.32Å; S227-K229 PolarHBondContact OG-N 2.87Å; S227-T230 PolarHBondContact O-N 3.18Å; S227-T230 PolarHBondContact O-OG1 3.33Å; S227-I348 VanDerWaalsContact CB-O 3.23Å; S227-I348 WeakPolarHBondContact CB-O 3.33Å; S227-I348 PolarHBondContact OG-O 2.81Å; S227-R361 PolarHBondContact O-NH2 2.92Å | ||
| 228 | P | 94.4 | Very high | 97.6 | Very high | 59 Ų | 59 | 24.3 Ų | 24.3 | 38% | 0.383 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -68.5 | -22.6 | 168.1 | 27.8 | -33.8 | 0 | 0 | 0 | 111.9 | T230 E231 P350 | P228-T230 PolarHBondContact O-N 2.99Å; P228-T230 VanDerWaalsContact O-N 3.16Å; P228-E231 WeakPolarHBondContact O-CG 3.44Å; P228-E231 PolarHBondContact O-N 3.41Å; P228-P350 HydrophobicContact CG-CG 4.43Å |
| 229 | K | 96.8 | Very high | 97.6 | Very high | 97 Ų | 97 | 24.3 Ų | 24.3 | 42% | 0.422 | 12% | 0.123 | S | C | . | . | G | 310 helix | trans | -69.9 | -9.8 | -179.7 | -59.1 | -70.2 | -175.5 | 174.8 | 0 | 113.5 | I189 S227 D346 G347 I348 | I189-K229 HydrophobicContact CD1-CB 3.95Å; S227-K229 PolarHBondContact O-N 3.06Å; S227-K229 WeakPolarHBondContact OG-CB 3.32Å; S227-K229 PolarHBondContact OG-N 2.87Å; K229-D346 WeakPolarHBondContact CE-O 3.37Å; K229-D346 PolarHBondContact NZ-O 2.89Å; K229-G347 WeakPolarHBondContact CE-O 3.43Å; K229-I348 HydrophobicContact CG-CG1 4.35Å |
| 230 | T | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -110.3 | 6.9 | -178.3 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | I189 L224 S227 P228 N232 L233 R361 | I189-T230 HydrophobicContact CD1-CG2 4.27Å; I189-T230 HydrophobicContact CG1-CG2 4Å; L224-T230 HydrophobicContact CB-CG2 4.09Å; L224-T230 HydrophobicContact CD2-CG2 3.75Å; L224-T230 HydrophobicContact CG-CG2 4.47Å; L224-T230 WeakPolarHBondContact O-CB 3.29Å; L224-T230 PolarHBondContact O-OG1 3.2Å; S227-T230 PolarHBondContact O-N 3.18Å; S227-T230 PolarHBondContact O-OG1 3.33Å; P228-T230 PolarHBondContact O-N 2.99Å; P228-T230 VanDerWaalsContact O-N 3.16Å; T230-N232 PolarHBondContact O-N 3.44Å; T230-L233 WeakPolarHBondContact O-CB 3.45Å; T230-L233 PolarHBondContact O-N 3.25Å; T230-R361 PolarHBondContact OG1-NH2 2.67Å |
| 231 | E | 93.7 | Very high | 97.5 | Very high | 102 Ų | 102 | 24 Ų | 24 | 48% | 0.477 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 130.9 | 173 | -74.6 | 180 | -170.1 | 0 | 0 | 110.7 | P228 L233 | P228-E231 WeakPolarHBondContact O-CG 3.44Å; P228-E231 PolarHBondContact O-N 3.41Å; E231-L233 PolarHBondContact O-N 2.91Å |
| 232 | N | 95.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 24 Ų | 24 | 66% | 0.663 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 13 | -177.6 | -46.5 | -64.5 | 0 | 0 | 0 | 115.3 | K196 T230 | K196-N232 WeakPolarHBondContact CE-O 3.44Å; K196-N232 PolarHBondContact NZ-O 2.69Å; T230-N232 PolarHBondContact O-N 3.44Å |
| 233 | L | 98.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 24 Ų | 24 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -15 | 174.6 | -59.5 | -172.1 | 0 | 0 | 0 | 113.6 | I189 M192 K193 K196 T230 E231 | I189-L233 HydrophobicContact CG2-CD1 4.16Å; M192-L233 HydrophobicContact CB-CB 4.26Å; M192-L233 HydrophobicContact CB-CD1 4.02Å; M192-L233 HydrophobicContact CE-CB 3.69Å; K193-L233 HydrophobicContact CG-CD1 4.04Å; K193-L233 HydrophobicContact CG-CD2 4.2Å; K196-L233 HydrophobicContact CG-CD2 3.86Å; T230-L233 WeakPolarHBondContact O-CB 3.45Å; T230-L233 PolarHBondContact O-N 3.25Å; E231-L233 PolarHBondContact O-N 2.91Å |
| 234 | M | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | trans | -154.6 | 146 | 176.7 | 65.5 | -169.2 | 178.8 | 0 | 0 | 110.1 | M192 V209 L211 T225 M363 | M192-M234 HydrophobicContact CE-CB 3.96Å; M192-M234 HydrophobicContact CE-CG 4.12Å; M192-M234 HydrophobicContact CE-SD 3.84Å; V209-M234 HydrophobicContact CG1-CB 4.43Å; L211-M234 HydrophobicContact CB-CB 4.22Å; L211-M234 HydrophobicContact CB-CG 4.48Å; L211-M234 HydrophobicContact CB-SD 3.44Å; L211-M234 WeakPolarHBondContact CB-SD 3.37Å; L211-M234 HydrophobicContact CD2-CE 4.47Å; L211-M234 HydrophobicContact CD2-SD 3.45Å; L211-M234 WeakPolarHBondContact CD2-SD 3.33Å; L211-M234 HydrophobicContact CG-SD 4.07Å; T225-M234 VanDerWaalsContact CA-CE 3.43Å; T225-M234 HydrophobicContact CG2-CE 3.67Å; M234-M363 HydrophobicContact CE-CE 4.24Å; M234-M363 HydrophobicContact CE-SD 4.39Å | ||
| 235 | E | 98 | Very high | 96.5 | Very high | 77 Ų | 77 | 24.3 Ų | 24.3 | 36% | 0.36 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -105.4 | -17.5 | -176.8 | -44.9 | -37.1 | 149.6 | 0 | 0 | 112.9 | K196 S207 V209 P364 | K196-E235 IonicContact NZ-OE1 2.92Å; K196-E235 PolarHBondContact NZ-OE1 3.06Å; S207-E235 WeakPolarHBondContact O-CG 3.3Å; V209-E235 PolarHBondContact O-N 3.47Å; E235-P364 WeakPolarHBondContact O-CD 3.25Å |
| 236 | Q | 98.7 | Very high | 96.1 | Very high | 10 Ų | 10 | 24.8 Ų | 24.8 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 165.3 | 175.7 | 56.6 | -178.9 | -21.9 | 0 | 0 | 110.9 | T210 L211 P364 F520 V521 S524 | T210-Q236 WeakPolarHBondContact CA-O 3.32Å; T210-Q236 HydrophobicContact CG2-CG 3.99Å; T210-Q236 VanDerWaalsContact OG1-CG 3.27Å; T210-Q236 WeakPolarHBondContact OG1-CG 3.1Å; T210-Q236 PolarHBondContact OG1-NE2 3.14Å; L211-Q236 PolarHBondContact N-O 2.88Å; L211-Q236 VanDerWaalsContact N-O 3.07Å; Q236-P364 WeakPolarHBondContact CA-O 3.35Å; Q236-P364 HydrophobicContact CB-CB 3.86Å; Q236-P364 HydrophobicContact CB-CG 4.21Å; Q236-P364 VanDerWaalsContact CB-O 3.31Å; Q236-P364 WeakPolarHBondContact CB-O 3.15Å; Q236-F520 HydrophobicContact CB-CE1 4.36Å; Q236-F520 HydrophobicContact CB-CZ 4.3Å; Q236-F520 HydrophobicContact CG-CE1 4.33Å; Q236-F520 PolarHBondContact NE2-O 2.81Å; Q236-F520 VanDerWaalsContact OE1-CE1 3.24Å; Q236-F520 VanDerWaalsContact OE1-CZ 3.27Å; Q236-F520 PolarHBondContact OE1-O 3.46Å; Q236-V521 PolarHBondContact NE2-O 3.1Å; Q236-V521 VanDerWaalsContact NE2-O 3.08Å; Q236-S524 PolarHBondContact OE1-OG 3.45Å |
| 237 | A | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L211 V221 T225 M363 P364 Y365 L366 | L211-A237 CarbonylContact O-C 3.6Å; L211-A237 WeakPolarHBondContact O-CA 3.42Å; V221-A237 HydrophobicContact CG1-CB 3.79Å; T225-A237 HydrophobicContact CG2-CB 4Å; A237-M363 HydrophobicContact CB-SD 4.29Å; A237-P364 PolarHBondContact N-O 3.19Å; A237-Y365 HydrophobicContact CB-CD2 3.78Å; A237-Y365 HydrophobicContact CB-CE2 3.73Å; A237-L366 PolarHBondContact O-N 3.44Å |
| 238 | I | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 115.2 | 174.7 | -60.8 | 173 | 0 | 0 | 0 | 108.8 | T210 L211 M212 G213 M240 L366 L517 F520 V521 | T210-I238 HydrophobicContact CG2-CD1 3.8Å; T210-I238 HydrophobicContact CG2-CG1 3.8Å; L211-I238 PolarHBondContact O-N 3.34Å; M212-I238 CarbonylContact C-O 3.41Å; M212-I238 VanDerWaalsContact CA-O 3.3Å; M212-I238 WeakPolarHBondContact CA-O 3.29Å; M212-I238 HydrophobicContact CB-CB 4.06Å; M212-I238 HydrophobicContact CE-CG2 4.2Å; M212-I238 HydrophobicContact CG-CB 3.82Å; M212-I238 HydrophobicContact CG-CD1 4.44Å; M212-I238 HydrophobicContact CG-CG2 3.86Å; M212-I238 HydrophobicContact SD-CD1 4.2Å; M212-I238 HydrophobicContact SD-CG2 4.39Å; G213-I238 PolarHBondContact N-O 3.43Å; I238-M240 HydrophobicContact CG2-CG 4Å; I238-M240 HydrophobicContact CG2-SD 4.44Å; I238-L366 CarbonylContact C-O 3.44Å; I238-L366 VanDerWaalsContact CA-O 3.24Å; I238-L366 WeakPolarHBondContact CA-O 3.23Å; I238-L366 HydrophobicContact CG1-CB 4.27Å; I238-L366 HydrophobicContact CG2-CD2 4.17Å; I238-L517 HydrophobicContact CD1-CD2 4.24Å; I238-L517 HydrophobicContact CG2-CD2 4.11Å; I238-F520 HydrophobicContact CD1-CD1 3.85Å; I238-F520 HydrophobicContact CD1-CE1 4.29Å; I238-F520 HydrophobicContact CG1-CD1 3.67Å; I238-F520 HydrophobicContact CG1-CE1 3.63Å; I238-V521 HydrophobicContact CD1-CG2 3.86Å |
| 239 | V | 98.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 108.8 | -175 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | G218 V221 G242 Y365 L366 L367 G368 | G218-V239 WeakPolarHBondContact O-CG1 3.48Å; V221-V239 HydrophobicContact CB-CG2 4.11Å; V221-V239 HydrophobicContact CG1-CG2 3.64Å; V239-G242 WeakPolarHBondContact CG1-O 3.46Å; V239-Y365 HydrophobicContact CG2-CE2 3.75Å; V239-Y365 WeakPolarHBondContact CG2-OH 3.32Å; V239-L366 PolarHBondContact N-O 3.07Å; V239-L367 HydrophobicContact CB-CB 3.97Å; V239-L367 WeakPolarHBondContact O-CA 3.33Å; V239-L367 VanDerWaalsContact O-CB 3.32Å; V239-L367 WeakPolarHBondContact O-CB 3.49Å; V239-G368 PolarHBondContact O-N 2.76Å |
| 240 | M | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.4 | -174.1 | -53 | 177.1 | 68.1 | 0 | 0 | 110.9 | M212 G213 H214 S215 I238 G242 D490 L491 | M212-M240 HydrophobicContact CE-SD 3.28Å; M212-M240 WeakPolarHBondContact CE-SD 3.49Å; G213-M240 PolarHBondContact O-N 2.03Å; H214-M240 CarbonylContact C-O 3.5Å; H214-M240 VanDerWaalsContact CA-O 3.23Å; H214-M240 WeakPolarHBondContact CA-O 3.34Å; H214-M240 HydrophobicContact CB-CB 4.13Å; S215-M240 PolarHBondContact N-O 3.39Å; I238-M240 HydrophobicContact CG2-CG 4Å; I238-M240 HydrophobicContact CG2-SD 4.44Å; M240-G242 PolarHBondContact O-N 2.87Å; M240-G242 VanDerWaalsContact O-N 3.16Å; M240-D490 HydrophobicContact CE-CB 3.84Å; M240-D490 WeakPolarHBondContact CE-OD2 2.93Å; M240-L491 HydrophobicContact CE-CD2 3.86Å; M240-L491 HydrophobicContact SD-CD2 3.94Å |
| 241 | S | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 52.4 | 40.6 | 172.8 | -53.1 | 0 | 0 | 0 | 0 | 113.2 | S215 G368 E373 | S215-S241 WeakPolarHBondContact CA-O 3.46Å; S241-G368 PolarHBondContact N-O 3.03Å; S241-E373 WeakPolarHBondContact CB-OE1 3.4Å; S241-E373 PolarHBondContact OG-OE1 3.11Å; S241-E373 VanDerWaalsContact OG-OE1 3.05Å |
| 242 | G | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -163.3 | 161.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | V239 M240 V456 | V239-G242 WeakPolarHBondContact CG1-O 3.46Å; M240-G242 PolarHBondContact O-N 2.87Å; M240-G242 VanDerWaalsContact O-N 3.16Å; G242-V456 WeakPolarHBondContact O-CG2 3.38Å | ||
| 243 | S | 95.2 | Very high | 91 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -165.6 | 151.3 | 179.4 | 157.7 | 0 | 0 | 0 | 0 | 110 | S219 L245 S246 A249 P455 | S219-S243 WeakPolarHBondContact CB-O 3.41Å; S219-S243 PolarHBondContact OG-N 3.3Å; S219-S243 VanDerWaalsContact OG-N 3.1Å; S219-S243 PolarHBondContact OG-O 2.96Å; S243-L245 PolarHBondContact O-N 2.9Å; S243-L245 PolarHBondContact OG-N 2.8Å; S243-S246 PolarHBondContact N-OG 2.84Å; S243-S246 VanDerWaalsContact N-OG 3.14Å; S243-S246 VanDerWaalsContact O-CB 3.29Å; S243-S246 WeakPolarHBondContact O-CB 3.37Å; S243-S246 PolarHBondContact O-N 3.15Å; S243-S246 PolarHBondContact O-OG 3Å; S243-A249 WeakPolarHBondContact O-CB 3.5Å; S243-P455 PolarHBondContact OG-O 2.93Å | ||
| 244 | A | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -20.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113 | S222 L223 L226 A249 P353 M357 | S222-A244 VanDerWaalsContact CB-N 3.3Å; S222-A244 VanDerWaalsContact OG-CB 3.23Å; S222-A244 WeakPolarHBondContact OG-CB 3.48Å; S222-A244 PolarHBondContact OG-N 3.46Å; L223-A244 HydrophobicContact CD2-CB 3.57Å; L223-A244 HydrophobicContact CG-CB 3.76Å; L226-A244 HydrophobicContact CD1-CB 4.06Å; A244-A249 WeakPolarHBondContact O-CB 3.5Å; A244-P353 HydrophobicContact CB-CB 4.45Å; A244-M357 HydrophobicContact CB-CE 3.8Å |
| 245 | L | 90.2 | Very high | 89.1 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -1.7 | 176.1 | -58.9 | -179.3 | 0 | 0 | 0 | 113.1 | S243 I354 M357 W405 P455 A458 | S243-L245 PolarHBondContact O-N 2.9Å; S243-L245 PolarHBondContact OG-N 2.8Å; L245-I354 HydrophobicContact CD2-CG1 3.68Å; L245-M357 HydrophobicContact CD1-CE 4.15Å; L245-M357 HydrophobicContact CD1-SD 3.66Å; L245-M357 HydrophobicContact CD2-CE 4Å; L245-M357 HydrophobicContact CD2-SD 3.68Å; L245-M357 HydrophobicContact CG-CE 3.68Å; L245-M357 HydrophobicContact CG-SD 3.68Å; L245-W405 VanDerWaalsContact O-CH2 3.3Å; L245-W405 WeakPolarHBondContact O-CH2 3.27Å; L245-W405 WeakPolarHBondContact O-CZ2 3.46Å; L245-P455 HydrophobicContact CB-CB 4.03Å; L245-A458 HydrophobicContact CD1-CB 3.51Å |
| 246 | S | 89.1 | Confident | 88.1 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 7% | 0.07 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -67 | 142.6 | -179 | -56.3 | 0 | 0 | 0 | 0 | 109.5 | S243 R248 A249 | S243-S246 PolarHBondContact N-OG 2.84Å; S243-S246 VanDerWaalsContact N-OG 3.14Å; S243-S246 VanDerWaalsContact O-CB 3.29Å; S243-S246 WeakPolarHBondContact O-CB 3.37Å; S243-S246 PolarHBondContact O-N 3.15Å; S243-S246 PolarHBondContact O-OG 3Å; S246-R248 PolarHBondContact O-N 2.71Å; S246-R248 VanDerWaalsContact O-N 3.16Å; S246-A249 WeakPolarHBondContact O-CB 3.43Å; S246-A249 PolarHBondContact O-N 3.22Å |
| 247 | P | 80.3 | Confident | 87.5 | Confident | 32 Ų | 32 | 20.9 Ų | 20.9 | 21% | 0.208 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 126.8 | 169.1 | -29.8 | 38 | 0 | 0 | 0 | 110.5 | A249 I404 N450 G451 | P247-A249 VanDerWaalsContact C-N 3.28Å; P247-A249 PolarHBondContact O-N 3Å; P247-I404 HydrophobicContact CB-CG2 4.07Å; P247-N450 WeakPolarHBondContact CD-O 3.47Å; P247-N450 WeakPolarHBondContact CG-O 3.39Å; P247-N450 WeakPolarHBondContact CG-OD1 3.16Å; P247-G451 WeakPolarHBondContact CD-O 3.36Å |
| 248 | R | 79.6 | Confident | 86.7 | Confident | 92 Ų | 92 | 25.5 Ų | 25.5 | 35% | 0.347 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 14.1 | -177.6 | -45.2 | 168.2 | 177.6 | 147.5 | -7.7 | 115.4 | S246 F250 F334 F337 S339 | S246-R248 PolarHBondContact O-N 2.71Å; S246-R248 VanDerWaalsContact O-N 3.16Å; R248-F250 PolarHBondContact O-N 3.13Å; R248-F334 PolarHBondContact NH2-O 2.85Å; R248-F337 VanDerWaalsContact CZ-CE2 3.41Å; R248-F337 VanDerWaalsContact CZ-CZ 3.44Å; R248-F337 VanDerWaalsContact NH2-CE2 3.31Å; R248-S339 WeakPolarHBondContact O-CB 3.35Å |
| 249 | A | 87.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.025 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -61.2 | -31.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L223 S243 A244 S246 P247 P340 | L223-A249 WeakPolarHBondContact CD1-O 3.49Å; S243-A249 WeakPolarHBondContact O-CB 3.5Å; A244-A249 WeakPolarHBondContact O-CB 3.5Å; S246-A249 WeakPolarHBondContact O-CB 3.43Å; S246-A249 PolarHBondContact O-N 3.22Å; P247-A249 VanDerWaalsContact C-N 3.28Å; P247-A249 PolarHBondContact O-N 3Å; A249-P340 VanDerWaalsContact O-CD 3.31Å; A249-P340 WeakPolarHBondContact O-CD 3.15Å |
| 250 | F | 86.5 | Confident | 85.2 | Confident | 43 Ų | 43 | 26.5 Ų | 26.5 | 19% | 0.189 | 13% | 0.134 | C | C | . | . | trans | -145.8 | 160.6 | 169 | 70.4 | -79.4 | 0 | 0 | 0 | 111.8 | R248 S339 P340 I342 P353 | R248-F250 PolarHBondContact O-N 3.13Å; F250-S339 VanDerWaalsContact C-OG 3.26Å; F250-P340 CarbonylContact C-O 3.5Å; F250-P340 WeakPolarHBondContact CA-O 3.1Å; F250-P340 HydrophobicContact CB-CB 4.4Å; F250-P340 WeakPolarHBondContact CB-O 3.36Å; F250-I342 HydrophobicContact CD2-CG1 4.33Å; F250-I342 HydrophobicContact CE2-CD1 4.35Å; F250-I342 HydrophobicContact CE2-CG1 4.42Å; F250-P353 HydrophobicContact CD1-CG 3.74Å; F250-P353 HydrophobicContact CE1-CB 4.2Å; F250-P353 HydrophobicContact CE1-CG 3.66Å; F250-P353 HydrophobicContact CE2-CG 4.49Å; F250-P353 HydrophobicContact CG-CG 4.2Å; F250-P353 HydrophobicContact CZ-CG 4.07Å | ||
| 251 | M | 79.2 | Confident | 84.7 | Confident | 52 Ų | 52 | 26.7 Ų | 26.7 | 26% | 0.256 | 14% | 0.135 | S | C | . | . | trans | -145.6 | 125.2 | 178.3 | -173.8 | -178.9 | -60.6 | 0 | 0 | 110 | D253 F337 S339 P340 R341 | M251-D253 HydrophobicContact CG-CB 4.16Å; M251-D253 HydrophobicContact SD-CB 4.41Å; M251-F337 HydrophobicContact CE-CB 4.37Å; M251-S339 WeakPolarHBondContact CB-OG 3.4Å; M251-S339 PolarHBondContact N-OG 2.88Å; M251-P340 PolarHBondContact N-O 2.71Å; M251-R341 WeakPolarHBondContact O-CB 3.3Å | ||
| 252 | N | 74.9 | Confident | 84 | Confident | 58 Ų | 58 | 29 Ų | 29 | 31% | 0.31 | 14% | 0.144 | S | C | . | . | trans | -91.9 | -4.5 | 179.3 | -63.1 | -22.2 | 0 | 0 | 0 | 113.8 | I342 | N252-I342 WeakPolarHBondContact ND2-CD1 3.18Å; N252-I342 VanDerWaalsContact OD1-CB 3.31Å; N252-I342 WeakPolarHBondContact OD1-CB 3.23Å; N252-I342 WeakPolarHBondContact OD1-CG1 3.3Å; N252-I342 PolarHBondContact OD1-N 2.83Å | ||
| 253 | D | 75.6 | Confident | 83.3 | Confident | 67 Ų | 67 | 33.7 Ų | 33.7 | 36% | 0.358 | 16% | 0.162 | S | C | . | . | trans | -88 | 115 | 179.4 | -178.7 | 14.4 | 0 | 0 | 0 | 110.6 | M251 T255 | M251-D253 HydrophobicContact CG-CB 4.16Å; M251-D253 HydrophobicContact SD-CB 4.41Å; D253-T255 WeakPolarHBondContact OD1-CB 3.46Å; D253-T255 PolarHBondContact OD1-N 3.44Å; D253-T255 PolarHBondContact OD1-OG1 2.91Å | ||
| 254 | I | 80.4 | Confident | 83 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 16% | 0.159 | 17% | 0.167 | C | C | . | . | trans | -91.5 | -2.9 | 176.9 | 63.8 | 162.8 | 0 | 0 | 0 | 113.1 | A175 P256 Y257 I258 | A175-I254 HydrophobicContact CB-CD1 3.88Å; A175-I254 HydrophobicContact CB-CG2 4.26Å; I254-P256 VanDerWaalsContact C-N 3.25Å; I254-P256 VanDerWaalsContact O-N 3.14Å; I254-Y257 PolarHBondContact O-N 2.92Å; I254-I258 HydrophobicContact CD1-CD1 3.89Å; I254-I258 HydrophobicContact CD1-CG1 4.32Å; I254-I258 HydrophobicContact CG1-CD1 3.97Å; I254-I258 HydrophobicContact CG1-CG1 4.45Å; I254-I258 PolarHBondContact O-N 3.19Å; I254-I258 VanDerWaalsContact O-N 3.14Å | ||
| 255 | T | 76.6 | Confident | 82.6 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -46.1 | -44.8 | -179.9 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | D253 Y257 I258 L259 L327 I331 | D253-T255 WeakPolarHBondContact OD1-CB 3.46Å; D253-T255 PolarHBondContact OD1-N 3.44Å; D253-T255 PolarHBondContact OD1-OG1 2.91Å; T255-Y257 VanDerWaalsContact C-N 3.3Å; T255-Y257 PolarHBondContact O-N 3Å; T255-I258 PolarHBondContact O-N 3.49Å; T255-L259 HydrophobicContact CG2-CD1 3.93Å; T255-L259 HydrophobicContact CG2-CG 4.34Å; T255-L259 WeakPolarHBondContact O-CG 3.18Å; T255-L259 PolarHBondContact O-N 3.36Å; T255-L327 HydrophobicContact CG2-CB 3.8Å; T255-L327 HydrophobicContact CG2-CD1 3.92Å; T255-L327 HydrophobicContact CG2-CD2 3.56Å; T255-L327 HydrophobicContact CG2-CG 3.93Å; T255-I331 HydrophobicContact CG2-CD1 4.32Å |
| 256 | P | 78.2 | Confident | 82.4 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -31.8 | -178.8 | -24.2 | 37.5 | 0 | 0 | 0 | 113.8 | I254 L259 L260 M299 F336 | I254-P256 VanDerWaalsContact C-N 3.25Å; I254-P256 VanDerWaalsContact O-N 3.14Å; P256-L259 PolarHBondContact O-N 2.95Å; P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.46Å; P256-M299 HydrophobicContact CB-CE 4.5Å; P256-M299 VanDerWaalsContact O-CE 3.3Å; P256-M299 WeakPolarHBondContact O-CE 3.21Å; P256-F336 HydrophobicContact CB-CD2 3.06Å; P256-F336 HydrophobicContact CB-CE2 3.13Å; P256-F336 HydrophobicContact CB-CG 3.94Å; P256-F336 HydrophobicContact CB-CZ 3.98Å; P256-F336 HydrophobicContact CG-CD2 3.78Å; P256-F336 HydrophobicContact CG-CE2 4.12Å |
| 257 | Y | 85.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 39.8 Ų | 39.8 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.9 | -36.3 | 174.8 | -62.7 | -53.1 | 0 | 0 | 0 | 112.2 | F171 F172 I254 T255 L259 L260 A261 F336 T338 | F171-Y257 WeakPolarHBondContact CB-OH 3.42Å; F171-Y257 WeakPolarHBondContact O-CE2 3.48Å; F171-Y257 PolarHBondContact O-OH 3.04Å; F171-Y257 VanDerWaalsContact O-OH 3.04Å; F172-Y257 AromaticContact CD2-CD1 3.92Å; F172-Y257 HydrophobicContact CD2-CD1 3.92Å; F172-Y257 AromaticContact CD2-CG 4Å; F172-Y257 HydrophobicContact CD2-CG 4Å; I254-Y257 PolarHBondContact O-N 2.92Å; T255-Y257 VanDerWaalsContact C-N 3.3Å; T255-Y257 PolarHBondContact O-N 3Å; Y257-L259 VanDerWaalsContact C-N 3.32Å; Y257-L260 PolarHBondContact O-N 2.65Å; Y257-A261 WeakPolarHBondContact O-CB 3.22Å; Y257-A261 PolarHBondContact O-N 3.4Å; Y257-F336 HydrophobicContact CD1-CE2 4.26Å; Y257-F336 AromaticContact CD1-CZ 3.97Å; Y257-F336 HydrophobicContact CD1-CZ 3.97Å; Y257-F336 HydrophobicContact CE1-CE2 4.02Å; Y257-F336 AromaticContact CE1-CZ 3.84Å; Y257-F336 HydrophobicContact CE1-CZ 3.84Å; Y257-T338 HydrophobicContact CE1-CG2 4.21Å; Y257-T338 VanDerWaalsContact OH-CG2 3.28Å; Y257-T338 WeakPolarHBondContact OH-CG2 3.09Å |
| 258 | I | 81.8 | Confident | 80.7 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.3 | -62.5 | 173 | 0 | 0 | 0 | 110 | I254 T255 A261 Y262 | I254-I258 HydrophobicContact CD1-CD1 3.89Å; I254-I258 HydrophobicContact CD1-CG1 4.32Å; I254-I258 HydrophobicContact CG1-CD1 3.97Å; I254-I258 HydrophobicContact CG1-CG1 4.45Å; I254-I258 PolarHBondContact O-N 3.19Å; I254-I258 VanDerWaalsContact O-N 3.14Å; T255-I258 PolarHBondContact O-N 3.49Å; I258-A261 PolarHBondContact O-N 3.46Å; I258-Y262 WeakPolarHBondContact O-CB 3.16Å; I258-Y262 PolarHBondContact O-N 2.74Å |
| 259 | L | 79.8 | Confident | 79.1 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.9 | -71.3 | 172.4 | 0 | 0 | 0 | 111.9 | T255 P256 Y257 Y262 R263 M299 L324 L327 I331 | T255-L259 HydrophobicContact CG2-CD1 3.93Å; T255-L259 HydrophobicContact CG2-CG 4.34Å; T255-L259 WeakPolarHBondContact O-CG 3.18Å; T255-L259 PolarHBondContact O-N 3.36Å; P256-L259 PolarHBondContact O-N 2.95Å; Y257-L259 VanDerWaalsContact C-N 3.32Å; L259-Y262 WeakPolarHBondContact O-CB 3.42Å; L259-Y262 PolarHBondContact O-N 3.13Å; L259-R263 VanDerWaalsContact O-CG 3.3Å; L259-R263 WeakPolarHBondContact O-CG 3.42Å; L259-R263 PolarHBondContact O-N 2.98Å; L259-M299 HydrophobicContact CB-CE 3.83Å; L259-L324 HydrophobicContact CD2-CD1 3.73Å; L259-L327 HydrophobicContact CD1-CB 4.48Å; L259-I331 HydrophobicContact CD1-CD1 3.16Å |
| 260 | L | 86.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.7 | -179.8 | 61 | 0 | 0 | 0 | 111.5 | V168 P256 Y257 Y262 R263 L264 M284 L292 E295 Y296 M299 | V168-L260 HydrophobicContact CB-CD2 4.38Å; V168-L260 HydrophobicContact CG2-CD2 3.68Å; P256-L260 WeakPolarHBondContact O-CB 3.42Å; P256-L260 PolarHBondContact O-N 3.46Å; Y257-L260 PolarHBondContact O-N 2.65Å; L260-Y262 VanDerWaalsContact C-N 3.28Å; L260-Y262 PolarHBondContact O-N 3.27Å; L260-R263 WeakPolarHBondContact O-CB 3.39Å; L260-R263 PolarHBondContact O-N 2.68Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L260-L264 HydrophobicContact CD1-CD1 3.75Å; L260-L264 HydrophobicContact CD1-CG 4.37Å; L260-L264 HydrophobicContact CG-CD1 3.78Å; L260-L264 WeakPolarHBondContact O-CD1 3.39Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 2.93Å; L260-M284 HydrophobicContact CD2-CE 4.49Å; L260-M284 HydrophobicContact CG-CE 4.44Å; L260-L292 HydrophobicContact CD2-CD1 4.22Å; L260-E295 HydrophobicContact CD1-CB 4.03Å; L260-Y296 HydrophobicContact CD2-CD2 3.99Å; L260-M299 VanDerWaalsContact CA-SD 3.6Å; L260-M299 HydrophobicContact CB-CE 4.45Å; L260-M299 HydrophobicContact CB-SD 3.77Å; L260-M299 HydrophobicContact CD1-SD 3.87Å; L260-M299 HydrophobicContact CG-SD 4.43Å |
| 261 | A | 87.1 | Confident | 74.9 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y257 I258 R263 L264 G265 C266 V280 M284 | Y257-A261 WeakPolarHBondContact O-CB 3.22Å; Y257-A261 PolarHBondContact O-N 3.4Å; I258-A261 PolarHBondContact O-N 3.46Å; A261-R263 PolarHBondContact O-N 2.86Å; A261-L264 PolarHBondContact O-N 3.2Å; A261-G265 PolarHBondContact O-N 2.93Å; A261-C266 HydrophobicContact CB-CB 4.13Å; A261-C266 WeakPolarHBondContact O-CA 3.15Å; A261-C266 WeakPolarHBondContact O-CB 3.47Å; A261-C266 PolarHBondContact O-N 3.45Å; A261-V280 HydrophobicContact CB-CG1 4.03Å; A261-M284 VanDerWaalsContact CA-SD 3.58Å; A261-M284 HydrophobicContact CB-CE 4.48Å; A261-M284 HydrophobicContact CB-CG 4.25Å; A261-M284 HydrophobicContact CB-SD 3.73Å |
| 262 | Y | 81.7 | Confident | 73.1 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 173.8 | -172.2 | -78.7 | 0 | 0 | 0 | 111.8 | I258 L259 L260 L264 G265 H267 L315 F320 | I258-Y262 WeakPolarHBondContact O-CB 3.16Å; I258-Y262 PolarHBondContact O-N 2.74Å; L259-Y262 WeakPolarHBondContact O-CB 3.42Å; L259-Y262 PolarHBondContact O-N 3.13Å; L260-Y262 VanDerWaalsContact C-N 3.28Å; L260-Y262 PolarHBondContact O-N 3.27Å; Y262-L264 PolarHBondContact O-N 3.3Å; Y262-G265 PolarHBondContact O-N 2.52Å; Y262-G265 VanDerWaalsContact O-N 3.07Å; Y262-H267 AromaticContact CD1-CE1 3.44Å; Y262-H267 VanDerWaalsContact CD1-CE1 3.44Å; Y262-H267 WeakPolarHBondContact CD1-CE1 3.22Å; Y262-H267 AromaticContact CD1-ND1 3.97Å; Y262-H267 AromaticContact CD2-CE1 3.29Å; Y262-H267 WeakPolarHBondContact CD2-CE1 3.46Å; Y262-H267 AromaticContact CD2-ND1 2.93Å; Y262-H267 WeakPolarHBondContact CD2-ND1 3.36Å; Y262-H267 AromaticContact CE1-CE1 3.5Å; Y262-H267 AromaticContact CE2-CE1 3.37Å; Y262-H267 WeakPolarHBondContact CE2-CE1 3.42Å; Y262-H267 AromaticContact CE2-ND1 3.18Å; Y262-H267 WeakPolarHBondContact CE2-ND1 3.37Å; Y262-H267 AromaticContact CG-CE1 3.29Å; Y262-H267 AromaticContact CG-ND1 3.34Å; Y262-H267 VanDerWaalsContact CG-ND1 3.34Å; Y262-H267 AromaticContact CZ-CE1 3.46Å; Y262-H267 VanDerWaalsContact CZ-CE1 3.46Å; Y262-H267 AromaticContact CZ-ND1 3.8Å; Y262-H267 PolarHBondContact O-CE1 2.75Å; Y262-H267 PolarHBondContact O-NE2 3.2Å; Y262-L315 HydrophobicContact CE1-CD1 3.65Å; Y262-L315 HydrophobicContact CE1-CD2 3.93Å; Y262-L315 HydrophobicContact CE1-CG 4.42Å; Y262-L315 VanDerWaalsContact OH-CD2 3.29Å; Y262-L315 WeakPolarHBondContact OH-CD2 3.21Å; Y262-F320 HydrophobicContact CE2-CD1 4.3Å; Y262-F320 HydrophobicContact CE2-CE1 4.36Å |
| 263 | R | 80 | Confident | 71.5 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -30.2 | 179.8 | -71 | -178 | 82.9 | 81.7 | 12.7 | 113.4 | L259 L260 A261 G265 E295 M299 I304 | L259-R263 VanDerWaalsContact O-CG 3.3Å; L259-R263 WeakPolarHBondContact O-CG 3.42Å; L259-R263 PolarHBondContact O-N 2.98Å; L260-R263 WeakPolarHBondContact O-CB 3.39Å; L260-R263 PolarHBondContact O-N 2.68Å; L260-R263 VanDerWaalsContact O-N 3.1Å; A261-R263 PolarHBondContact O-N 2.86Å; R263-G265 PolarHBondContact O-N 2.85Å; R263-E295 IonicContact CZ-OE2 2.89Å; R263-E295 IonicContact NE-OE2 3.67Å; R263-E295 PolarHBondContact NE-OE2 3.22Å; R263-E295 IonicContact NH2-OE2 2.94Å; R263-M299 VanDerWaalsContact CD-SD 3.54Å; R263-I304 VanDerWaalsContact CZ-CG1 3.46Å; R263-I304 VanDerWaalsContact NH1-CG1 3.35Å |
| 264 | L | 88.2 | Confident | 70 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.4 | -180 | -69.5 | 161.8 | 0 | 0 | 0 | 113 | L260 A261 Y262 C266 M284 I287 Q291 L292 E295 | L260-L264 HydrophobicContact CD1-CD1 3.75Å; L260-L264 HydrophobicContact CD1-CG 4.37Å; L260-L264 HydrophobicContact CG-CD1 3.78Å; L260-L264 WeakPolarHBondContact O-CD1 3.39Å; L260-L264 WeakPolarHBondContact O-CG 3.33Å; L260-L264 PolarHBondContact O-N 2.93Å; A261-L264 PolarHBondContact O-N 3.2Å; Y262-L264 PolarHBondContact O-N 3.3Å; L264-C266 VanDerWaalsContact C-N 3.31Å; L264-M284 HydrophobicContact CD1-CE 3.91Å; L264-M284 HydrophobicContact CD1-SD 4Å; L264-I287 HydrophobicContact CB-CD1 3.5Å; L264-I287 HydrophobicContact CD1-CD1 3.57Å; L264-I287 HydrophobicContact CD2-CD1 4.1Å; L264-I287 HydrophobicContact CD2-CG2 4.22Å; L264-I287 HydrophobicContact CG-CD1 3.89Å; L264-Q291 HydrophobicContact CD2-CG 4.23Å; L264-L292 HydrophobicContact CD1-CD1 3.49Å; L264-L292 VanDerWaalsContact CD1-CD1 3.49Å; L264-E295 HydrophobicContact CD2-CB 3.98Å; L264-E295 HydrophobicContact CD2-CG 3.98Å; L264-E295 HydrophobicContact CG-CB 4.43Å |
| 265 | G | 86.1 | Confident | 69 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 46% | 0.464 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 4.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A261 Y262 R263 H267 | A261-G265 PolarHBondContact O-N 2.93Å; Y262-G265 PolarHBondContact O-N 2.52Å; Y262-G265 VanDerWaalsContact O-N 3.07Å; R263-G265 PolarHBondContact O-N 2.85Å; G265-H267 VanDerWaalsContact C-N 3.27Å; G265-H267 PolarHBondContact O-CD2 3.19Å; G265-H267 PolarHBondContact O-N 2.87Å |
| 266 | C | 87 | Confident | 68.9 | Low | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.027 | 40% | 0.397 | C | S | . | . | trans | -84 | 69.5 | 176.4 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | A261 L264 V280 C283 M284 | A261-C266 HydrophobicContact CB-CB 4.13Å; A261-C266 WeakPolarHBondContact O-CA 3.15Å; A261-C266 WeakPolarHBondContact O-CB 3.47Å; A261-C266 PolarHBondContact O-N 3.45Å; L264-C266 VanDerWaalsContact C-N 3.31Å; C266-V280 HydrophobicContact CB-CG1 4.31Å; C266-C283 WeakPolarHBondContact CA-SG 2.81Å; C266-C283 HydrophobicContact CB-CB 3.68Å; C266-C283 WeakPolarHBondContact CB-SG 3.46Å; C266-C283 WeakPolarHBondContact SG-CB 3.36Å; C266-C283 CovalentContact SG-SG 2.04Å; C266-C283 PolarHBondContact SG-SG 3.31Å; C266-M284 HydrophobicContact CB-CG 4.2Å; C266-M284 HydrophobicContact CB-SD 4.05Å | ||
| 267 | H | 73.5 | Confident | 69.2 | Low | 74 Ų | 74 | 77.2 Ų | 77.2 | 34% | 0.343 | 41% | 0.41 | S | S | . | . | trans | -92.8 | 140.2 | 180 | -52 | -71.6 | 0 | 0 | 0 | 111.7 | Y262 G265 L269 | Y262-H267 AromaticContact CD1-CE1 3.44Å; Y262-H267 VanDerWaalsContact CD1-CE1 3.44Å; Y262-H267 WeakPolarHBondContact CD1-CE1 3.22Å; Y262-H267 AromaticContact CD1-ND1 3.97Å; Y262-H267 AromaticContact CD2-CE1 3.29Å; Y262-H267 WeakPolarHBondContact CD2-CE1 3.46Å; Y262-H267 AromaticContact CD2-ND1 2.93Å; Y262-H267 WeakPolarHBondContact CD2-ND1 3.36Å; Y262-H267 AromaticContact CE1-CE1 3.5Å; Y262-H267 AromaticContact CE2-CE1 3.37Å; Y262-H267 WeakPolarHBondContact CE2-CE1 3.42Å; Y262-H267 AromaticContact CE2-ND1 3.18Å; Y262-H267 WeakPolarHBondContact CE2-ND1 3.37Å; Y262-H267 AromaticContact CG-CE1 3.29Å; Y262-H267 AromaticContact CG-ND1 3.34Å; Y262-H267 VanDerWaalsContact CG-ND1 3.34Å; Y262-H267 AromaticContact CZ-CE1 3.46Å; Y262-H267 VanDerWaalsContact CZ-CE1 3.46Å; Y262-H267 AromaticContact CZ-ND1 3.8Å; Y262-H267 PolarHBondContact O-CE1 2.75Å; Y262-H267 PolarHBondContact O-NE2 3.2Å; G265-H267 VanDerWaalsContact C-N 3.27Å; G265-H267 PolarHBondContact O-CD2 3.19Å; G265-H267 PolarHBondContact O-N 2.87Å; H267-L269 PolarHBondContact O-N 2.91Å | ||
| 268 | P | 58.7 | Low | 69.4 | Low | 64 Ų | 64 | 78.9 Ų | 78.9 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -66.8 | 0.1 | 170.9 | -17.5 | 27.9 | 0 | 0 | 0 | 115.3 | H275 V280 | P268-H275 HydrophobicContact CB-CB 4.37Å; P268-V280 HydrophobicContact CB-CG2 4.39Å; P268-V280 HydrophobicContact CG-CG2 3.91Å |
| 269 | L | 46.5 | Very low | 69.7 | Low | 106 Ų | 106 | 76.6 Ų | 76.6 | 56% | 0.555 | 42% | 0.419 | S | S | * | . | trans | -105.7 | 96.7 | -166.6 | -72.6 | 170.1 | 0 | 0 | 0 | 112.3 | H267 F320 | H267-L269 PolarHBondContact O-N 2.91Å; L269-F320 HydrophobicContact CD1-CE2 3.98Å; L269-F320 HydrophobicContact CD1-CZ 3.68Å | ||
| 270 | A | 47.1 | Very low | 70.1 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 73% | 0.727 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -133.8 | -40.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 271 | N | 37.9 | Very low | 70.4 | Confident | 174 Ų | 174 | 76.3 Ų | 76.3 | 93% | 0.93 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -175 | 26.8 | 177.4 | -103.3 | -20.7 | 0 | 0 | 0 | 119.3 | ||
| 272 | A | 42.3 | Very low | 70.7 | Confident | 70 Ų | 70 | 81 Ų | 81 | 58% | 0.579 | 44% | 0.439 | S | S | * | . | trans | -133.1 | 128.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K274 | A272-K274 CarbonylContact O-C 3.42Å; A272-K274 PolarHBondContact O-N 2.98Å | ||
| 273 | F | 40.6 | Very low | 71.2 | Confident | 229 Ų | 229 | 81 Ų | 81 | 100% | 1.004 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -64.4 | 18.3 | 173.2 | -86.4 | -90.9 | 0 | 0 | 0 | 114.7 | ||
| 274 | K | 45.5 | Very low | 71.9 | Confident | 180 Ų | 180 | 76.2 Ų | 76.2 | 78% | 0.783 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -128.1 | 110.6 | 160.5 | -93.4 | 179.9 | 171.8 | -179.5 | 0 | 105 | A272 N276 | A272-K274 CarbonylContact O-C 3.42Å; A272-K274 PolarHBondContact O-N 2.98Å; K274-N276 PolarHBondContact O-N 2.92Å |
| 275 | H | 57.9 | Low | 72.3 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | trans | -47.9 | 108.6 | 165.8 | -64.1 | -69.2 | 0 | 0 | 0 | 107.3 | P268 I277 | P268-H275 HydrophobicContact CB-CB 4.37Å; H275-I277 PolarHBondContact O-N 2.85Å | ||
| 276 | N | 76.2 | Confident | 72.8 | Confident | 88 Ų | 88 | 78.9 Ų | 78.9 | 47% | 0.471 | 44% | 0.44 | S | S | . | . | trans | -77.4 | 80.5 | 179.9 | -173.2 | -9.7 | 0 | 0 | 0 | 106.6 | K274 S278 A279 V280 | K274-N276 PolarHBondContact O-N 2.92Å; N276-S278 PolarHBondContact O-N 3.4Å; N276-S278 WeakPolarHBondContact OD1-CB 3.3Å; N276-S278 PolarHBondContact OD1-N 3.23Å; N276-A279 HydrophobicContact CB-CB 3.86Å; N276-A279 VanDerWaalsContact CG-CB 3.49Å; N276-A279 WeakPolarHBondContact O-CA 3.2Å; N276-A279 WeakPolarHBondContact O-CB 3.28Å; N276-A279 PolarHBondContact O-N 2.95Å; N276-A279 PolarHBondContact OD1-N 3.22Å; N276-V280 PolarHBondContact O-N 2.68Å | ||
| 277 | I | 84.6 | Confident | 73.2 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 31% | 0.308 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.4 | -38 | 179.6 | -61.7 | 170 | 0 | 0 | 0 | 109.1 | T174 S176 H275 A279 V280 V281 | T174-I277 HydrophobicContact CG2-CG2 4.06Å; S176-I277 VanDerWaalsContact OG-CG2 3.23Å; S176-I277 WeakPolarHBondContact OG-CG2 3.26Å; H275-I277 PolarHBondContact O-N 2.85Å; I277-A279 VanDerWaalsContact C-N 3.3Å; I277-A279 PolarHBondContact O-N 2.94Å; I277-V280 WeakPolarHBondContact O-CA 3.21Å; I277-V280 WeakPolarHBondContact O-CB 3.23Å; I277-V280 PolarHBondContact O-N 2.99Å; I277-V281 HydrophobicContact CG2-CG2 4.34Å; I277-V281 WeakPolarHBondContact O-CG2 3.26Å; I277-V281 PolarHBondContact O-N 2.8Å |
| 278 | S | 88.5 | Confident | 74.3 | Confident | 49 Ų | 49 | 79 Ų | 79 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.9 | -42.6 | 173.5 | -29.3 | 0 | 0 | 0 | 0 | 111.8 | E178 N276 V280 V281 E282 | E178-S278 PolarHBondContact OE1-OG 3.33Å; N276-S278 PolarHBondContact O-N 3.4Å; N276-S278 WeakPolarHBondContact OD1-CB 3.3Å; N276-S278 PolarHBondContact OD1-N 3.23Å; S278-V280 VanDerWaalsContact C-N 3.34Å; S278-V280 PolarHBondContact O-N 2.74Å; S278-V281 PolarHBondContact O-N 3.19Å; S278-E282 WeakPolarHBondContact O-CB 3.33Å; S278-E282 WeakPolarHBondContact O-CG 3.34Å; S278-E282 PolarHBondContact O-N 3.19Å |
| 279 | A | 88.1 | Confident | 76 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N276 I277 C283 | N276-A279 HydrophobicContact CB-CB 3.86Å; N276-A279 VanDerWaalsContact CG-CB 3.49Å; N276-A279 WeakPolarHBondContact O-CA 3.2Å; N276-A279 WeakPolarHBondContact O-CB 3.28Å; N276-A279 PolarHBondContact O-N 2.95Å; N276-A279 PolarHBondContact OD1-N 3.22Å; I277-A279 VanDerWaalsContact C-N 3.3Å; I277-A279 PolarHBondContact O-N 2.94Å; A279-C283 VanDerWaalsContact O-CB 3.22Å; A279-C283 WeakPolarHBondContact O-CB 3.47Å; A279-C283 PolarHBondContact O-N 3.36Å |
| 280 | V | 89 | Confident | 78.2 | Confident | 16 Ų | 16 | 76 Ų | 76 | 10% | 0.097 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 110 | A261 C266 P268 N276 I277 S278 C283 M284 | A261-V280 HydrophobicContact CB-CG1 4.03Å; C266-V280 HydrophobicContact CB-CG1 4.31Å; P268-V280 HydrophobicContact CB-CG2 4.39Å; P268-V280 HydrophobicContact CG-CG2 3.91Å; N276-V280 PolarHBondContact O-N 2.68Å; I277-V280 WeakPolarHBondContact O-CA 3.21Å; I277-V280 WeakPolarHBondContact O-CB 3.23Å; I277-V280 PolarHBondContact O-N 2.99Å; S278-V280 VanDerWaalsContact C-N 3.34Å; S278-V280 PolarHBondContact O-N 2.74Å; V280-C283 WeakPolarHBondContact O-CB 3.09Å; V280-C283 PolarHBondContact O-N 2.71Å; V280-M284 HydrophobicContact CG1-CG 4.46Å; V280-M284 VanDerWaalsContact O-CG 3.24Å; V280-M284 WeakPolarHBondContact O-CG 3.41Å; V280-M284 PolarHBondContact O-N 3.32Å |
| 281 | V | 92.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | F172 T174 E178 A179 I277 S278 C283 M284 R285 | F172-V281 HydrophobicContact CE1-CG2 4.41Å; T174-V281 HydrophobicContact CG2-CG2 4.01Å; E178-V281 HydrophobicContact CB-CB 4.34Å; E178-V281 HydrophobicContact CB-CG2 3.86Å; A179-V281 HydrophobicContact CB-CG1 4.22Å; A179-V281 HydrophobicContact CB-CG2 3.69Å; I277-V281 HydrophobicContact CG2-CG2 4.34Å; I277-V281 WeakPolarHBondContact O-CG2 3.26Å; I277-V281 PolarHBondContact O-N 2.8Å; S278-V281 PolarHBondContact O-N 3.19Å; V281-C283 VanDerWaalsContact C-N 3.35Å; V281-C283 PolarHBondContact O-N 2.81Å; V281-M284 CarbonylContact O-C 3.43Å; V281-M284 WeakPolarHBondContact O-CB 3.26Å; V281-M284 PolarHBondContact O-N 3.44Å; V281-M284 VanDerWaalsContact O-N 3.16Å; V281-R285 HydrophobicContact CG1-CG 4.45Å; V281-R285 WeakPolarHBondContact O-CG 3.44Å; V281-R285 PolarHBondContact O-N 2.64Å |
| 282 | E | 92.6 | Very high | 83 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 175.2 | -73.4 | -54.1 | 126.8 | 0 | 0 | 112.1 | S278 M284 R285 A286 | S278-E282 WeakPolarHBondContact O-CB 3.33Å; S278-E282 WeakPolarHBondContact O-CG 3.34Å; S278-E282 PolarHBondContact O-N 3.19Å; E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.2Å; E282-R285 PolarHBondContact O-N 3.05Å; E282-R285 IonicContact OE1-CZ 3.67Å; E282-R285 IonicContact OE1-NH1 2.75Å; E282-R285 PolarHBondContact OE1-NH1 2.91Å; E282-A286 PolarHBondContact O-N 2.88Å; E282-A286 VanDerWaalsContact O-N 3.08Å |
| 283 | C | 93.6 | Very high | 85.3 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 172.1 | 177 | 0 | 0 | 0 | 0 | 110.8 | C266 A279 V280 V281 R285 A286 I287 | C266-C283 WeakPolarHBondContact CA-SG 2.81Å; C266-C283 HydrophobicContact CB-CB 3.68Å; C266-C283 WeakPolarHBondContact CB-SG 3.46Å; C266-C283 WeakPolarHBondContact SG-CB 3.36Å; C266-C283 CovalentContact SG-SG 2.04Å; C266-C283 PolarHBondContact SG-SG 3.31Å; A279-C283 VanDerWaalsContact O-CB 3.22Å; A279-C283 WeakPolarHBondContact O-CB 3.47Å; A279-C283 PolarHBondContact O-N 3.36Å; V280-C283 WeakPolarHBondContact O-CB 3.09Å; V280-C283 PolarHBondContact O-N 2.71Å; V281-C283 VanDerWaalsContact C-N 3.35Å; V281-C283 PolarHBondContact O-N 2.81Å; C283-R285 VanDerWaalsContact C-N 3.33Å; C283-R285 PolarHBondContact O-N 3.16Å; C283-A286 PolarHBondContact O-N 3.49Å; C283-A286 VanDerWaalsContact O-N 3.12Å; C283-I287 WeakPolarHBondContact O-CG1 3.45Å; C283-I287 PolarHBondContact O-N 3.16Å |
| 284 | M | 94.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 178.3 | -68.7 | -66.1 | -69.1 | 0 | 0 | 112.5 | F67 F172 L260 A261 L264 C266 V280 V281 E282 A286 I287 L292 | F67-M284 HydrophobicContact CD2-CB 4.33Å; F67-M284 HydrophobicContact CE2-CB 3.76Å; F172-M284 HydrophobicContact CD2-CE 4.09Å; F172-M284 HydrophobicContact CE1-CB 4.41Å; F172-M284 HydrophobicContact CE1-CG 4.38Å; F172-M284 HydrophobicContact CE2-CE 3.75Å; F172-M284 HydrophobicContact CE2-CG 4.3Å; F172-M284 HydrophobicContact CZ-CB 4.33Å; F172-M284 HydrophobicContact CZ-CE 4.2Å; F172-M284 HydrophobicContact CZ-CG 3.82Å; L260-M284 HydrophobicContact CD2-CE 4.49Å; L260-M284 HydrophobicContact CG-CE 4.44Å; A261-M284 VanDerWaalsContact CA-SD 3.58Å; A261-M284 HydrophobicContact CB-CE 4.48Å; A261-M284 HydrophobicContact CB-CG 4.25Å; A261-M284 HydrophobicContact CB-SD 3.73Å; L264-M284 HydrophobicContact CD1-CE 3.91Å; L264-M284 HydrophobicContact CD1-SD 4Å; C266-M284 HydrophobicContact CB-CG 4.2Å; C266-M284 HydrophobicContact CB-SD 4.05Å; V280-M284 HydrophobicContact CG1-CG 4.46Å; V280-M284 VanDerWaalsContact O-CG 3.24Å; V280-M284 WeakPolarHBondContact O-CG 3.41Å; V280-M284 PolarHBondContact O-N 3.32Å; V281-M284 CarbonylContact O-C 3.43Å; V281-M284 WeakPolarHBondContact O-CB 3.26Å; V281-M284 PolarHBondContact O-N 3.44Å; V281-M284 VanDerWaalsContact O-N 3.16Å; E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.2Å; M284-A286 VanDerWaalsContact C-N 3.29Å; M284-A286 PolarHBondContact O-N 3.41Å; M284-I287 HydrophobicContact CE-CD1 4.5Å; M284-I287 PolarHBondContact O-N 3.23Å; M284-I287 HydrophobicContact SD-CD1 3.69Å; M284-L292 HydrophobicContact CE-CD1 3.68Å |
| 285 | R | 95.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -33.8 | 174.1 | -75.5 | 178.5 | 172.9 | 133.7 | 9.2 | 112.4 | P64 R66 F67 V281 E282 C283 I287 | P64-R285 PolarHBondContact O-NE 2.79Å; R66-R285 HydrophobicContact CB-CG 4.31Å; R66-R285 PolarHBondContact NH1-O 3.04Å; R66-R285 PolarHBondContact O-NE 2.79Å; R66-R285 PolarHBondContact O-NH2 3.46Å; F67-R285 HydrophobicContact CD2-CG 4.07Å; F67-R285 PolarHBondContact O-NH2 3.28Å; V281-R285 HydrophobicContact CG1-CG 4.45Å; V281-R285 WeakPolarHBondContact O-CG 3.44Å; V281-R285 PolarHBondContact O-N 2.64Å; E282-R285 PolarHBondContact O-N 3.05Å; E282-R285 IonicContact OE1-CZ 3.67Å; E282-R285 IonicContact OE1-NH1 2.75Å; E282-R285 PolarHBondContact OE1-NH1 2.91Å; C283-R285 VanDerWaalsContact C-N 3.33Å; C283-R285 PolarHBondContact O-N 3.16Å; R285-I287 VanDerWaalsContact C-N 3.34Å |
| 286 | A | 95.8 | Very high | 91 | Very high | 82 Ų | 82 | 47.2 Ų | 47.2 | 68% | 0.678 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -77.9 | -13.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E282 C283 M284 | E282-A286 PolarHBondContact O-N 2.88Å; E282-A286 VanDerWaalsContact O-N 3.08Å; C283-A286 PolarHBondContact O-N 3.49Å; C283-A286 VanDerWaalsContact O-N 3.12Å; M284-A286 VanDerWaalsContact C-N 3.29Å; M284-A286 PolarHBondContact O-N 3.41Å |
| 287 | I | 96 | Very high | 91.4 | Very high | 14 Ų | 14 | 43.8 Ų | 43.8 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -71.5 | 132.5 | -177.9 | -56.5 | 173.2 | 0 | 0 | 0 | 110.2 | R66 L264 C283 M284 R285 Q291 L292 | R66-I287 PolarHBondContact NH1-O 3.42Å; L264-I287 HydrophobicContact CB-CD1 3.5Å; L264-I287 HydrophobicContact CD1-CD1 3.57Å; L264-I287 HydrophobicContact CD2-CD1 4.1Å; L264-I287 HydrophobicContact CD2-CG2 4.22Å; L264-I287 HydrophobicContact CG-CD1 3.89Å; C283-I287 WeakPolarHBondContact O-CG1 3.45Å; C283-I287 PolarHBondContact O-N 3.16Å; M284-I287 HydrophobicContact CE-CD1 4.5Å; M284-I287 PolarHBondContact O-N 3.23Å; M284-I287 HydrophobicContact SD-CD1 3.69Å; R285-I287 VanDerWaalsContact C-N 3.34Å; I287-Q291 HydrophobicContact CG2-CB 4.04Å; I287-Q291 HydrophobicContact CG2-CG 4.12Å; I287-L292 HydrophobicContact CB-CB 4.47Å; I287-L292 HydrophobicContact CG2-CB 3.89Å |
| 288 | P | 96.3 | Very high | 91.2 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 43% | 0.429 | 24% | 0.241 | S | C | . | . | trans | -55 | 139.5 | 170.4 | -27.1 | 36.8 | 0 | 0 | 0 | 112.5 | D290 Q291 L292 | P288-D290 VanDerWaalsContact C-N 3.28Å; P288-D290 WeakPolarHBondContact CB-OD1 3.42Å; P288-D290 PolarHBondContact O-N 2.59Å; P288-Q291 HydrophobicContact CB-CB 4.32Å; P288-Q291 PolarHBondContact O-N 3.32Å; P288-Q291 VanDerWaalsContact O-N 3.13Å; P288-L292 PolarHBondContact O-N 3.35Å | ||
| 289 | A | 94.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -36.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | W91 E105 F169 L292 D293 | W91-A289 HydrophobicContact CD2-CB 3.59Å; W91-A289 HydrophobicContact CE3-CB 3.59Å; W91-A289 HydrophobicContact CG-CB 4.31Å; W91-A289 HydrophobicContact CH2-CB 3.82Å; W91-A289 HydrophobicContact CZ2-CB 3.84Å; W91-A289 HydrophobicContact CZ3-CB 3.7Å; W91-A289 PolarHBondContact NE1-O 2.95Å; E105-A289 HydrophobicContact CG-CB 4.15Å; E105-A289 WeakPolarHBondContact OE2-CB 3.2Å; F169-A289 HydrophobicContact CE1-CB 3.87Å; F169-A289 HydrophobicContact CZ-CB 3.73Å; A289-L292 PolarHBondContact O-N 3.38Å; A289-D293 WeakPolarHBondContact O-CB 3.4Å; A289-D293 PolarHBondContact O-N 3.35Å |
| 290 | D | 92.3 | Very high | 90.2 | Very high | 102 Ų | 102 | 40.3 Ų | 40.3 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.8 | 63 | -40.6 | 0 | 0 | 0 | 112.3 | W91 P288 Y294 | W91-D290 HydrophobicContact CH2-CB 4.22Å; W91-D290 VanDerWaalsContact CZ2-CA 3.46Å; W91-D290 HydrophobicContact CZ2-CB 3.71Å; W91-D290 VanDerWaalsContact CZ2-N 3.27Å; P288-D290 VanDerWaalsContact C-N 3.28Å; P288-D290 WeakPolarHBondContact CB-OD1 3.42Å; P288-D290 PolarHBondContact O-N 2.59Å; D290-Y294 WeakPolarHBondContact O-CB 3.45Å; D290-Y294 PolarHBondContact O-N 3.43Å |
| 291 | Q | 92.9 | Very high | 89.4 | Confident | 95 Ų | 95 | 43.1 Ų | 43.1 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -44.4 | 176.4 | -176.9 | -179.1 | -1.9 | 0 | 0 | 111.6 | L264 I287 P288 Y294 E295 | L264-Q291 HydrophobicContact CD2-CG 4.23Å; I287-Q291 HydrophobicContact CG2-CB 4.04Å; I287-Q291 HydrophobicContact CG2-CG 4.12Å; P288-Q291 HydrophobicContact CB-CB 4.32Å; P288-Q291 PolarHBondContact O-N 3.32Å; P288-Q291 VanDerWaalsContact O-N 3.13Å; Q291-Y294 PolarHBondContact O-N 2.93Å; Q291-E295 PolarHBondContact O-N 2.88Å; Q291-E295 VanDerWaalsContact O-N 3.13Å |
| 292 | L | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.4 | -49.9 | 178.4 | 175.3 | 60 | 0 | 0 | 0 | 111 | F67 V168 F169 L260 L264 M284 I287 P288 A289 Y296 | F67-L292 HydrophobicContact CZ-CD2 3.74Å; V168-L292 HydrophobicContact CG1-CD1 4.29Å; V168-L292 HydrophobicContact CG1-CD2 3.98Å; V168-L292 HydrophobicContact CG1-CG 3.78Å; V168-L292 HydrophobicContact CG2-CD1 4.01Å; V168-L292 HydrophobicContact CG2-CD2 4.35Å; V168-L292 HydrophobicContact CG2-CG 4.33Å; F169-L292 HydrophobicContact CD1-CD2 4.24Å; F169-L292 HydrophobicContact CE1-CD2 3.65Å; F169-L292 HydrophobicContact CZ-CB 4.44Å; F169-L292 HydrophobicContact CZ-CD2 3.86Å; F169-L292 HydrophobicContact CZ-CG 4.29Å; L260-L292 HydrophobicContact CD2-CD1 4.22Å; L264-L292 HydrophobicContact CD1-CD1 3.49Å; L264-L292 VanDerWaalsContact CD1-CD1 3.49Å; M284-L292 HydrophobicContact CE-CD1 3.68Å; I287-L292 HydrophobicContact CB-CB 4.47Å; I287-L292 HydrophobicContact CG2-CB 3.89Å; P288-L292 PolarHBondContact O-N 3.35Å; A289-L292 PolarHBondContact O-N 3.38Å; L292-Y296 WeakPolarHBondContact O-CB 3.28Å; L292-Y296 PolarHBondContact O-N 3.25Å |
| 293 | D | 90.9 | Very high | 85.8 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 5% | 0.053 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.1 | -173.2 | 18.7 | 0 | 0 | 0 | 112.5 | W91 N93 F169 A289 Y296 T297 | W91-D293 PolarHBondContact NE1-OD2 2.95Å; N93-D293 WeakPolarHBondContact CB-OD2 2.99Å; N93-D293 PolarHBondContact N-OD2 2.88Å; F169-D293 HydrophobicContact CE2-CB 4.17Å; A289-D293 WeakPolarHBondContact O-CB 3.4Å; A289-D293 PolarHBondContact O-N 3.35Å; D293-Y296 PolarHBondContact O-N 3.42Å; D293-T297 VanDerWaalsContact O-CB 3.23Å; D293-T297 WeakPolarHBondContact O-CB 3.47Å; D293-T297 PolarHBondContact O-N 2.81Å; D293-T297 PolarHBondContact O-OG1 2.81Å; D293-T297 PolarHBondContact OD1-OG1 3.3Å |
| 294 | Y | 88.4 | Confident | 83.8 | Confident | 133 Ų | 133 | 45.1 Ų | 45.1 | 52% | 0.522 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62 | -51.3 | 175.9 | 174.1 | -100.7 | 0 | 0 | 0 | 112.5 | D290 Q291 Y296 T297 K298 | D290-Y294 WeakPolarHBondContact O-CB 3.45Å; D290-Y294 PolarHBondContact O-N 3.43Å; Q291-Y294 PolarHBondContact O-N 2.93Å; Y294-Y296 VanDerWaalsContact C-N 3.34Å; Y294-T297 PolarHBondContact O-N 3.38Å; Y294-K298 HydrophobicContact CE1-CD 4.4Å; Y294-K298 VanDerWaalsContact O-CB 3.3Å; Y294-K298 WeakPolarHBondContact O-CB 3.14Å; Y294-K298 PolarHBondContact O-N 2.92Å |
| 295 | E | 86.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -34 | 178.1 | -76.8 | -64.1 | 135.7 | 0 | 0 | 111.9 | L260 R263 L264 Q291 K298 M299 | L260-E295 HydrophobicContact CD1-CB 4.03Å; R263-E295 IonicContact CZ-OE2 2.89Å; R263-E295 IonicContact NE-OE2 3.67Å; R263-E295 PolarHBondContact NE-OE2 3.22Å; R263-E295 IonicContact NH2-OE2 2.94Å; L264-E295 HydrophobicContact CD2-CB 3.98Å; L264-E295 HydrophobicContact CD2-CG 3.98Å; L264-E295 HydrophobicContact CG-CB 4.43Å; Q291-E295 PolarHBondContact O-N 2.88Å; Q291-E295 VanDerWaalsContact O-N 3.13Å; E295-K298 PolarHBondContact O-N 3.16Å; E295-K298 IonicContact OE1-NZ 3.28Å; E295-K298 PolarHBondContact OE1-NZ 2.87Å; E295-K298 IonicContact OE2-NZ 3.81Å; E295-M299 WeakPolarHBondContact O-CG 3.14Å; E295-M299 PolarHBondContact O-N 3.18Å |
| 296 | Y | 88.1 | Confident | 78.8 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -55.7 | 170.9 | 171.6 | -96 | 0 | 0 | 0 | 111.6 | D136 V168 L260 L292 D293 Y294 K298 M299 Q300 F336 T338 | D136-Y296 PolarHBondContact OD1-OH 3.29Å; D136-Y296 PolarHBondContact OD2-OH 2.84Å; V168-Y296 HydrophobicContact CB-CD2 3.62Å; V168-Y296 HydrophobicContact CB-CE2 4.08Å; V168-Y296 HydrophobicContact CB-CG 4.01Å; V168-Y296 HydrophobicContact CG1-CD2 4.19Å; V168-Y296 HydrophobicContact CG1-CG 4.06Å; V168-Y296 HydrophobicContact CG2-CD2 4.4Å; L260-Y296 HydrophobicContact CD2-CD2 3.99Å; L292-Y296 WeakPolarHBondContact O-CB 3.28Å; L292-Y296 PolarHBondContact O-N 3.25Å; D293-Y296 PolarHBondContact O-N 3.42Å; Y294-Y296 VanDerWaalsContact C-N 3.34Å; Y296-K298 VanDerWaalsContact C-N 3.27Å; Y296-K298 PolarHBondContact O-N 3.5Å; Y296-M299 WeakPolarHBondContact O-CA 3.45Å; Y296-M299 WeakPolarHBondContact O-CB 3.32Å; Y296-M299 PolarHBondContact O-N 3.07Å; Y296-Q300 HydrophobicContact CD1-CG 4.36Å; Y296-Q300 HydrophobicContact CE1-CG 3.81Å; Y296-Q300 HydrophobicContact CE2-CG 4.35Å; Y296-Q300 WeakPolarHBondContact O-CG 3.31Å; Y296-Q300 PolarHBondContact O-N 2.62Å; Y296-Q300 PolarHBondContact OH-NE2 3.04Å; Y296-F336 HydrophobicContact CD2-CD1 4.21Å; Y296-F336 AromaticContact CD2-CE1 3.17Å; Y296-F336 HydrophobicContact CD2-CE1 3.17Å; Y296-F336 AromaticContact CD2-CZ 3.56Å; Y296-F336 HydrophobicContact CD2-CZ 3.56Å; Y296-F336 HydrophobicContact CE2-CD1 4Å; Y296-F336 AromaticContact CE2-CE1 3.13Å; Y296-F336 HydrophobicContact CE2-CE1 3.13Å; Y296-F336 HydrophobicContact CE2-CE2 4.21Å; Y296-F336 AromaticContact CE2-CZ 3.27Å; Y296-F336 HydrophobicContact CE2-CZ 3.27Å; Y296-F336 HydrophobicContact CG-CE1 4.15Å; Y296-T338 HydrophobicContact CE2-CG2 3.5Å; Y296-T338 VanDerWaalsContact CE2-CG2 3.5Å; Y296-T338 VanDerWaalsContact CZ-CG2 3.47Å; Y296-T338 WeakPolarHBondContact OH-CB 3.38Å; Y296-T338 WeakPolarHBondContact OH-CG2 3.5Å; Y296-T338 PolarHBondContact OH-OG1 3.47Å |
| 297 | T | 84.3 | Confident | 76.1 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.1 | -37.4 | -180 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | D293 Y294 M299 Q300 N301 | D293-T297 VanDerWaalsContact O-CB 3.23Å; D293-T297 WeakPolarHBondContact O-CB 3.47Å; D293-T297 PolarHBondContact O-N 2.81Å; D293-T297 PolarHBondContact O-OG1 2.81Å; D293-T297 PolarHBondContact OD1-OG1 3.3Å; Y294-T297 PolarHBondContact O-N 3.38Å; T297-M299 VanDerWaalsContact C-N 3.33Å; T297-M299 PolarHBondContact O-N 2.9Å; T297-Q300 PolarHBondContact O-N 3.23Å; T297-N301 WeakPolarHBondContact O-CB 3.27Å; T297-N301 PolarHBondContact O-N 3.03Å; T297-N301 PolarHBondContact O-ND2 2.91Å |
| 298 | K | 81.3 | Confident | 73.5 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | 176.1 | -176.6 | 180 | 172.4 | -174.7 | 0 | 112.6 | Y294 E295 Y296 M303 I304 | Y294-K298 HydrophobicContact CE1-CD 4.4Å; Y294-K298 VanDerWaalsContact O-CB 3.3Å; Y294-K298 WeakPolarHBondContact O-CB 3.14Å; Y294-K298 PolarHBondContact O-N 2.92Å; E295-K298 PolarHBondContact O-N 3.16Å; E295-K298 IonicContact OE1-NZ 3.28Å; E295-K298 PolarHBondContact OE1-NZ 2.87Å; E295-K298 IonicContact OE2-NZ 3.81Å; Y296-K298 VanDerWaalsContact C-N 3.27Å; Y296-K298 PolarHBondContact O-N 3.5Å; K298-M303 HydrophobicContact CG-CB 4.32Å; K298-M303 PolarHBondContact O-N 3.25Å; K298-I304 HydrophobicContact CG-CD1 4.14Å; K298-I304 HydrophobicContact CG-CG1 4.1Å |
| 299 | M | 78.5 | Confident | 70.9 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 170.2 | -75.2 | -174.7 | 58.7 | 0 | 0 | 112.3 | P256 L259 L260 R263 E295 Y296 T297 N301 G302 I304 F336 | P256-M299 HydrophobicContact CB-CE 4.5Å; P256-M299 VanDerWaalsContact O-CE 3.3Å; P256-M299 WeakPolarHBondContact O-CE 3.21Å; L259-M299 HydrophobicContact CB-CE 3.83Å; L260-M299 VanDerWaalsContact CA-SD 3.6Å; L260-M299 HydrophobicContact CB-CE 4.45Å; L260-M299 HydrophobicContact CB-SD 3.77Å; L260-M299 HydrophobicContact CD1-SD 3.87Å; L260-M299 HydrophobicContact CG-SD 4.43Å; R263-M299 VanDerWaalsContact CD-SD 3.54Å; E295-M299 WeakPolarHBondContact O-CG 3.14Å; E295-M299 PolarHBondContact O-N 3.18Å; Y296-M299 WeakPolarHBondContact O-CA 3.45Å; Y296-M299 WeakPolarHBondContact O-CB 3.32Å; Y296-M299 PolarHBondContact O-N 3.07Å; T297-M299 VanDerWaalsContact C-N 3.33Å; T297-M299 PolarHBondContact O-N 2.9Å; M299-N301 VanDerWaalsContact C-N 3.35Å; M299-N301 PolarHBondContact O-N 3.25Å; M299-G302 PolarHBondContact O-N 3.46Å; M299-I304 HydrophobicContact CB-CD1 4.17Å; M299-I304 HydrophobicContact CG-CD1 3.39Å; M299-F336 HydrophobicContact CB-CB 4.49Å; M299-F336 HydrophobicContact CB-CD1 3.52Å; M299-F336 HydrophobicContact CB-CE1 4.04Å; M299-F336 HydrophobicContact CB-CG 4.37Å; M299-F336 HydrophobicContact CE-CD1 4.34Å; M299-F336 HydrophobicContact CE-CE1 4.44Å |
| 300 | Q | 77.3 | Confident | 68.5 | Low | 19 Ų | 19 | 60 Ų | 60 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 177.5 | -62 | -164.7 | -66.2 | 0 | 0 | 112.9 | D136 Y296 T297 G302 F336 | D136-Q300 PolarHBondContact OD2-NE2 3.22Å; Y296-Q300 HydrophobicContact CD1-CG 4.36Å; Y296-Q300 HydrophobicContact CE1-CG 3.81Å; Y296-Q300 HydrophobicContact CE2-CG 4.35Å; Y296-Q300 WeakPolarHBondContact O-CG 3.31Å; Y296-Q300 PolarHBondContact O-N 2.62Å; Y296-Q300 PolarHBondContact OH-NE2 3.04Å; T297-Q300 PolarHBondContact O-N 3.23Å; Q300-G302 PolarHBondContact O-N 2.85Å; Q300-G302 VanDerWaalsContact O-N 3.15Å; Q300-F336 HydrophobicContact CG-CD1 3.67Å; Q300-F336 HydrophobicContact CG-CE1 4.34Å; Q300-F336 HydrophobicContact CG-CG 4.3Å; Q300-F336 WeakPolarHBondContact CG-O 3.49Å |
| 301 | N | 71.1 | Confident | 66.2 | Low | 75 Ų | 75 | 64.6 Ų | 64.6 | 40% | 0.401 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 1.3 | -178.1 | -68.8 | -25.2 | 0 | 0 | 0 | 113.8 | R94 T297 M299 M303 | R94-N301 PolarHBondContact NH2-OD1 3.48Å; T297-N301 WeakPolarHBondContact O-CB 3.27Å; T297-N301 PolarHBondContact O-N 3.03Å; T297-N301 PolarHBondContact O-ND2 2.91Å; M299-N301 VanDerWaalsContact C-N 3.35Å; M299-N301 PolarHBondContact O-N 3.25Å; N301-M303 HydrophobicContact CB-CG 3.94Å; N301-M303 HydrophobicContact CB-SD 4.22Å; N301-M303 PolarHBondContact O-N 2.83Å |
| 302 | G | 62.6 | Low | 63.6 | Low | 29 Ų | 29 | 68.8 Ų | 68.8 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 7.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | M299 Q300 I304 L305 | M299-G302 PolarHBondContact O-N 3.46Å; Q300-G302 PolarHBondContact O-N 2.85Å; Q300-G302 VanDerWaalsContact O-N 3.15Å; G302-I304 PolarHBondContact O-N 2.9Å; G302-L305 WeakPolarHBondContact O-CB 3.34Å; G302-L305 PolarHBondContact O-N 3.36Å |
| 303 | M | 48.5 | Very low | 61.1 | Low | 127 Ų | 127 | 71.3 Ų | 71.3 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13 | -174.8 | -71.4 | 179.5 | 70.5 | 0 | 0 | 113.6 | K298 N301 | K298-M303 HydrophobicContact CG-CB 4.32Å; K298-M303 PolarHBondContact O-N 3.25Å; N301-M303 HydrophobicContact CB-CG 3.94Å; N301-M303 HydrophobicContact CB-SD 4.22Å; N301-M303 PolarHBondContact O-N 2.83Å |
| 304 | I | 49.8 | Very low | 58.6 | Low | 34 Ų | 34 | 82 Ų | 82 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -24.6 | 178.3 | -68.7 | 153.7 | 0 | 0 | 0 | 112.1 | R263 K298 M299 G302 S306 S309 | R263-I304 VanDerWaalsContact CZ-CG1 3.46Å; R263-I304 VanDerWaalsContact NH1-CG1 3.35Å; K298-I304 HydrophobicContact CG-CD1 4.14Å; K298-I304 HydrophobicContact CG-CG1 4.1Å; M299-I304 HydrophobicContact CB-CD1 4.17Å; M299-I304 HydrophobicContact CG-CD1 3.39Å; G302-I304 PolarHBondContact O-N 2.9Å; I304-S306 PolarHBondContact O-N 3.26Å; I304-S309 WeakPolarHBondContact O-CB 3.48Å |
| 305 | L | 44.7 | Very low | 56.6 | Low | 47 Ų | 47 | 79.3 Ų | 79.3 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | trans | -78.6 | -6.4 | -173.1 | -61.7 | 166.3 | 0 | 0 | 0 | 113.4 | G302 R307 I328 S332 | G302-L305 WeakPolarHBondContact O-CB 3.34Å; G302-L305 PolarHBondContact O-N 3.36Å; L305-R307 PolarHBondContact O-N 2.77Å; L305-I328 HydrophobicContact CD2-CG2 3.31Å; L305-S332 VanDerWaalsContact CD1-CA 3.44Å | ||
| 306 | S | 41.5 | Very low | 54.5 | Low | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -57.3 | 126.4 | 170.8 | 81.8 | 0 | 0 | 0 | 0 | 108.8 | I304 T308 S309 | I304-S306 PolarHBondContact O-N 3.26Å; S306-T308 WeakPolarHBondContact CB-OG1 3.36Å; S306-T308 PolarHBondContact O-N 2.56Å; S306-T308 PolarHBondContact OG-OG1 2.74Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.5Å; S306-S309 PolarHBondContact OG-OG 2.89Å; S306-S309 VanDerWaalsContact OG-OG 3.12Å |
| 307 | R | 40.1 | Very low | 52.6 | Low | 164 Ų | 164 | 92 Ų | 92 | 62% | 0.619 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -50.4 | -27.5 | 179.1 | -96 | 178.8 | 153.5 | 136 | -4.7 | 112.8 | L305 R310 | L305-R307 PolarHBondContact O-N 2.77Å; R307-R310 PolarHBondContact O-N 2.73Å |
| 308 | T | 40.6 | Very low | 50.8 | Low | 102 Ų | 102 | 96.3 Ų | 96.3 | 63% | 0.626 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65 | -37.2 | 174.9 | 33 | 0 | 0 | 0 | 0 | 113.4 | S306 K311 K312 | S306-T308 WeakPolarHBondContact CB-OG1 3.36Å; S306-T308 PolarHBondContact O-N 2.56Å; S306-T308 PolarHBondContact OG-OG1 2.74Å; T308-K311 PolarHBondContact O-N 2.89Å; T308-K312 PolarHBondContact O-N 2.9Å |
| 309 | S | 42.6 | Very low | 49.1 | Very low | 48 Ų | 48 | 101.7 Ų | 101.7 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.4 | -32 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | I304 S306 K311 K312 A313 | I304-S309 WeakPolarHBondContact O-CB 3.48Å; S306-S309 WeakPolarHBondContact O-CB 3.47Å; S306-S309 PolarHBondContact O-N 3.5Å; S306-S309 PolarHBondContact OG-OG 2.89Å; S306-S309 VanDerWaalsContact OG-OG 3.12Å; S309-K311 VanDerWaalsContact C-N 3.34Å; S309-K311 PolarHBondContact O-N 3.17Å; S309-K312 PolarHBondContact O-N 2.96Å; S309-A313 PolarHBondContact O-N 3.27Å; S309-A313 VanDerWaalsContact O-N 3.13Å |
| 310 | R | 43.8 | Very low | 47.8 | Very low | 111 Ų | 111 | 103.9 Ų | 103.9 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 173.6 | -78.7 | -174.9 | -103.5 | -169.4 | -8.6 | 112.5 | R307 | R307-R310 PolarHBondContact O-N 2.73Å |
| 311 | K | 42.7 | Very low | 46.3 | Very low | 199 Ų | 199 | 106.8 Ų | 106.8 | 87% | 0.865 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -73.9 | -24.1 | 178.1 | -77.6 | -169.1 | 173.8 | -170.3 | 0 | 114.2 | T308 S309 | T308-K311 PolarHBondContact O-N 2.89Å; S309-K311 VanDerWaalsContact C-N 3.34Å; S309-K311 PolarHBondContact O-N 3.17Å |
| 312 | K | 39.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 109.7 Ų | 109.7 | 79% | 0.791 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -93.7 | -15.3 | -177.9 | -87.1 | -171.6 | 175.2 | -176.5 | 0 | 113.9 | T308 S309 W314 | T308-K312 PolarHBondContact O-N 2.9Å; S309-K312 PolarHBondContact O-N 2.96Å; K312-W314 PolarHBondContact O-N 2.94Å; K312-W314 VanDerWaalsContact O-N 3.16Å |
| 313 | A | 40.7 | Very low | 44.3 | Very low | 54 Ų | 54 | 112.6 Ų | 112.6 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | trans | -72.4 | 109.9 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | S309 L315 | S309-A313 PolarHBondContact O-N 3.27Å; S309-A313 VanDerWaalsContact O-N 3.13Å; A313-L315 HydrophobicContact CB-CD1 4.21Å; A313-L315 HydrophobicContact CB-CG 4.48Å; A313-L315 PolarHBondContact O-N 3.37Å | ||
| 314 | W | 37.8 | Very low | 44.2 | Very low | 233 Ų | 233 | 108.8 Ų | 108.8 | 88% | 0.883 | 53% | 0.526 | S | S | * | . | trans | -61.7 | 29.7 | 176.9 | -99.8 | 74.1 | 0 | 0 | 0 | 114.8 | K312 H316 | K312-W314 PolarHBondContact O-N 2.94Å; K312-W314 VanDerWaalsContact O-N 3.16Å; W314-H316 PolarHBondContact O-N 3.48Å | ||
| 315 | L | 46.5 | Very low | 44.1 | Very low | 77 Ų | 77 | 110 Ų | 110 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | trans | -99.8 | 67.8 | -171.4 | -65.8 | 169.3 | 0 | 0 | 0 | 110.2 | Y262 A313 K317 | Y262-L315 HydrophobicContact CE1-CD1 3.65Å; Y262-L315 HydrophobicContact CE1-CD2 3.93Å; Y262-L315 HydrophobicContact CE1-CG 4.42Å; Y262-L315 VanDerWaalsContact OH-CD2 3.29Å; Y262-L315 WeakPolarHBondContact OH-CD2 3.21Å; A313-L315 HydrophobicContact CB-CD1 4.21Å; A313-L315 HydrophobicContact CB-CG 4.48Å; A313-L315 PolarHBondContact O-N 3.37Å; L315-K317 PolarHBondContact O-N 3.26Å | ||
| 316 | H | 42.6 | Very low | 44.3 | Very low | 176 Ų | 176 | 111.2 Ų | 111.2 | 82% | 0.815 | 55% | 0.545 | S | S | * | . | trans | -72.2 | 49.6 | 176.4 | -78.8 | -69.4 | 0 | 0 | 0 | 113.5 | W314 | W314-H316 PolarHBondContact O-N 3.48Š| ||
| 317 | K | 47.5 | Very low | 44.5 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 53% | 0.53 | 54% | 0.539 | S | S | . | . | trans | -114.6 | 105.5 | 166.6 | -75 | -160.7 | 175.4 | -172.6 | 0 | 110.6 | L315 E319 F320 E321 | L315-K317 PolarHBondContact O-N 3.26Å; K317-E319 VanDerWaalsContact C-N 3.28Å; K317-E319 PolarHBondContact O-N 2.99Å; K317-F320 HydrophobicContact CB-CB 4.25Å; K317-F320 HydrophobicContact CB-CD2 3.97Å; K317-F320 HydrophobicContact CD-CD2 4.14Å; K317-F320 HydrophobicContact CD-CE2 4.44Å; K317-F320 PolarHBondContact O-N 3.38Å; K317-E321 PolarHBondContact O-N 3.25Å | ||
| 318 | P | 46.6 | Very low | 44.7 | Very low | 107 Ų | 107 | 104.3 Ų | 104.3 | 70% | 0.695 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -32.2 | -175.8 | 20.5 | -29.5 | 0 | 0 | 0 | 113.4 | F320 E321 L322 | P318-F320 PolarHBondContact O-N 3.12Å; P318-E321 PolarHBondContact O-N 2.96Å; P318-L322 PolarHBondContact O-N 3.31Å |
| 319 | E | 46.4 | Very low | 44.7 | Very low | 166 Ų | 166 | 105 Ų | 105 | 78% | 0.776 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -31.8 | 173.4 | -66.9 | 178.9 | 171.5 | 0 | 0 | 112.4 | K317 | K317-E319 VanDerWaalsContact C-N 3.28Å; K317-E319 PolarHBondContact O-N 2.99Å |
| 320 | F | 50 | Low | 44.5 | Very low | 59 Ų | 59 | 105.2 Ų | 105.2 | 26% | 0.259 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -87.7 | -31 | -178.8 | -83.8 | -85.7 | 0 | 0 | 0 | 113.4 | Y262 L269 K317 P318 L322 L323 L324 | Y262-F320 HydrophobicContact CE2-CD1 4.3Å; Y262-F320 HydrophobicContact CE2-CE1 4.36Å; L269-F320 HydrophobicContact CD1-CE2 3.98Å; L269-F320 HydrophobicContact CD1-CZ 3.68Å; K317-F320 HydrophobicContact CB-CB 4.25Å; K317-F320 HydrophobicContact CB-CD2 3.97Å; K317-F320 HydrophobicContact CD-CD2 4.14Å; K317-F320 HydrophobicContact CD-CE2 4.44Å; K317-F320 PolarHBondContact O-N 3.38Å; P318-F320 PolarHBondContact O-N 3.12Å; F320-L322 PolarHBondContact O-N 3.34Å; F320-L323 PolarHBondContact O-N 3.01Å; F320-L324 WeakPolarHBondContact O-CB 2.97Å; F320-L324 PolarHBondContact O-N 3.28Å |
| 321 | E | 46.4 | Very low | 44.6 | Very low | 79 Ų | 79 | 101.1 Ų | 101.1 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.2 | -37.1 | 169.8 | -94.4 | -82.5 | 158.9 | 0 | 0 | 110.9 | K317 P318 N325 | K317-E321 PolarHBondContact O-N 3.25Å; P318-E321 PolarHBondContact O-N 2.96Å; E321-N325 VanDerWaalsContact O-CB 3.22Å; E321-N325 WeakPolarHBondContact O-CB 3.33Å; E321-N325 PolarHBondContact O-N 3.48Å; E321-N325 PolarHBondContact O-ND2 2.8Å; E321-N325 PolarHBondContact OE2-ND2 3.41Å |
| 322 | L | 45.8 | Very low | 44.7 | Very low | 137 Ų | 137 | 94.3 Ų | 94.3 | 72% | 0.717 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65 | -46.8 | 176.5 | -157.1 | 87.6 | 0 | 0 | 0 | 111.8 | P318 F320 N325 S326 | P318-L322 PolarHBondContact O-N 3.31Å; F320-L322 PolarHBondContact O-N 3.34Å; L322-N325 PolarHBondContact O-N 3.47Å; L322-S326 PolarHBondContact O-N 2.92Å; L322-S326 PolarHBondContact O-OG 3.31Å |
| 323 | L | 45.8 | Very low | 44.9 | Very low | 90 Ų | 90 | 90.9 Ų | 90.9 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 177.4 | -158.1 | 94.9 | 0 | 0 | 0 | 111.1 | F320 S326 L327 | F320-L323 PolarHBondContact O-N 3.01Å; L323-S326 PolarHBondContact O-N 3.46Å; L323-S326 PolarHBondContact O-OG 3.39Å; L323-L327 HydrophobicContact CD2-CD1 3.69Å; L323-L327 HydrophobicContact CG-CD1 3.69Å; L323-L327 HydrophobicContact CG-CG 4.38Å; L323-L327 VanDerWaalsContact O-CB 3.28Å; L323-L327 WeakPolarHBondContact O-CB 3.18Å; L323-L327 WeakPolarHBondContact O-CD1 3.33Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 2.79Å |
| 324 | L | 47.3 | Very low | 45.4 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.7 | -132.2 | 83.5 | 0 | 0 | 0 | 109.3 | L259 F320 S326 L327 I328 | L259-L324 HydrophobicContact CD2-CD1 3.73Å; F320-L324 WeakPolarHBondContact O-CB 2.97Å; F320-L324 PolarHBondContact O-N 3.28Å; L324-S326 VanDerWaalsContact C-N 3.34Å; L324-S326 PolarHBondContact O-N 2.98Å; L324-L327 PolarHBondContact O-N 3.44Å; L324-I328 HydrophobicContact CB-CD1 3.88Å; L324-I328 HydrophobicContact CD2-CD1 3.6Å; L324-I328 HydrophobicContact CG-CD1 3.58Å; L324-I328 HydrophobicContact CG-CG1 4.26Å; L324-I328 WeakPolarHBondContact O-CA 3.22Å; L324-I328 WeakPolarHBondContact O-CB 3.34Å; L324-I328 VanDerWaalsContact O-CD1 3.23Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.43Å; L324-I328 PolarHBondContact O-N 2.86Å |
| 325 | N | 47.5 | Very low | 46.2 | Very low | 60 Ų | 60 | 80.7 Ų | 80.7 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -34.2 | -178.1 | -73.8 | -47.9 | 0 | 0 | 0 | 112.8 | E321 L322 | E321-N325 VanDerWaalsContact O-CB 3.22Å; E321-N325 WeakPolarHBondContact O-CB 3.33Å; E321-N325 PolarHBondContact O-N 3.48Å; E321-N325 PolarHBondContact O-ND2 2.8Å; E321-N325 PolarHBondContact OE2-ND2 3.41Å; L322-N325 PolarHBondContact O-N 3.47Å |
| 326 | S | 47.8 | Very low | 47.1 | Very low | 71 Ų | 71 | 77.1 Ų | 77.1 | 50% | 0.497 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 175.3 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | L322 L323 L324 P330 | L322-S326 PolarHBondContact O-N 2.92Å; L322-S326 PolarHBondContact O-OG 3.31Å; L323-S326 PolarHBondContact O-N 3.46Å; L323-S326 PolarHBondContact O-OG 3.39Å; L324-S326 VanDerWaalsContact C-N 3.34Å; L324-S326 PolarHBondContact O-N 2.98Å; S326-P330 WeakPolarHBondContact O-CD 3.14Å |
| 327 | L | 45.3 | Very low | 48.3 | Very low | 44 Ų | 44 | 70.8 Ų | 70.8 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.2 | -28.3 | 178.5 | -62.4 | 169.1 | 0 | 0 | 0 | 112.8 | T255 L259 L323 L324 P330 I331 | T255-L327 HydrophobicContact CG2-CB 3.8Å; T255-L327 HydrophobicContact CG2-CD1 3.92Å; T255-L327 HydrophobicContact CG2-CD2 3.56Å; T255-L327 HydrophobicContact CG2-CG 3.93Å; L259-L327 HydrophobicContact CD1-CB 4.48Å; L323-L327 HydrophobicContact CD2-CD1 3.69Å; L323-L327 HydrophobicContact CG-CD1 3.69Å; L323-L327 HydrophobicContact CG-CG 4.38Å; L323-L327 VanDerWaalsContact O-CB 3.28Å; L323-L327 WeakPolarHBondContact O-CB 3.18Å; L323-L327 WeakPolarHBondContact O-CD1 3.33Å; L323-L327 WeakPolarHBondContact O-CG 3.48Å; L323-L327 PolarHBondContact O-N 2.79Å; L324-L327 PolarHBondContact O-N 3.44Å; L327-P330 VanDerWaalsContact O-CD 3.31Å; L327-P330 WeakPolarHBondContact O-CD 3.43Å; L327-I331 WeakPolarHBondContact O-CD1 3.47Å; L327-I331 WeakPolarHBondContact O-CG1 3.17Å |
| 328 | I | 45.4 | Very low | 49.8 | Very low | 26 Ų | 26 | 65.2 Ų | 65.2 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.1 | -39.1 | -177.7 | -82.3 | 165.2 | 0 | 0 | 0 | 111.8 | L305 L324 I331 S332 | L305-I328 HydrophobicContact CD2-CG2 3.31Å; L324-I328 HydrophobicContact CB-CD1 3.88Å; L324-I328 HydrophobicContact CD2-CD1 3.6Å; L324-I328 HydrophobicContact CG-CD1 3.58Å; L324-I328 HydrophobicContact CG-CG1 4.26Å; L324-I328 WeakPolarHBondContact O-CA 3.22Å; L324-I328 WeakPolarHBondContact O-CB 3.34Å; L324-I328 VanDerWaalsContact O-CD1 3.23Å; L324-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 WeakPolarHBondContact O-CG1 3.43Å; L324-I328 PolarHBondContact O-N 2.86Å; I328-I331 PolarHBondContact O-N 3.13Å; I328-I331 VanDerWaalsContact O-N 3.09Å; I328-S332 WeakPolarHBondContact O-CB 3.31Å; I328-S332 PolarHBondContact O-N 3.12Å; I328-S332 PolarHBondContact O-OG 3.41Å |
| 329 | L | 39.3 | Very low | 51.8 | Low | 117 Ų | 117 | 60.4 Ų | 60.4 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -54.9 | -50.9 | -177 | -75.5 | 171.8 | 0 | 0 | 0 | 112 | I331 S332 E333 | L329-I331 PolarHBondContact O-N 3.45Å; L329-S332 PolarHBondContact O-N 3.08Å; L329-S332 PolarHBondContact O-OG 3.29Å; L329-E333 PolarHBondContact O-N 3.41Å |
| 330 | P | 40 | Very low | 54 | Low | 53 Ų | 53 | 52.5 Ų | 52.5 | 34% | 0.344 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.7 | -48.6 | 172.3 | -8.8 | 8.3 | 0 | 0 | 0 | 112.4 | S326 L327 S332 E333 F334 | S326-P330 WeakPolarHBondContact O-CD 3.14Å; L327-P330 VanDerWaalsContact O-CD 3.31Å; L327-P330 WeakPolarHBondContact O-CD 3.43Å; P330-S332 PolarHBondContact O-N 2.82Å; P330-E333 PolarHBondContact O-N 3.16Å; P330-F334 HydrophobicContact CB-CD2 4.21Å; P330-F334 WeakPolarHBondContact O-CB 3.5Å; P330-F334 WeakPolarHBondContact O-CD2 3.42Å; P330-F334 PolarHBondContact O-N 2.89Å |
| 331 | I | 45.2 | Very low | 55.9 | Low | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.128 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -34.6 | -175.9 | -60.7 | 166.8 | 0 | 0 | 0 | 111.5 | T255 L259 L327 I328 L329 G335 F336 | T255-I331 HydrophobicContact CG2-CD1 4.32Å; L259-I331 HydrophobicContact CD1-CD1 3.16Å; L327-I331 WeakPolarHBondContact O-CD1 3.47Å; L327-I331 WeakPolarHBondContact O-CG1 3.17Å; I328-I331 PolarHBondContact O-N 3.13Å; I328-I331 VanDerWaalsContact O-N 3.09Å; L329-I331 PolarHBondContact O-N 3.45Å; I331-G335 VanDerWaalsContact O-CA 3.27Å; I331-G335 WeakPolarHBondContact O-CA 3.26Å; I331-G335 PolarHBondContact O-N 3.47Å; I331-F336 HydrophobicContact CG2-CB 4.43Å |
| 332 | S | 44.3 | Very low | 58 | Low | 56 Ų | 56 | 49.2 Ų | 49.2 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69 | -38.4 | 178.2 | 71.4 | 0 | 0 | 0 | 0 | 114 | L305 I328 L329 P330 | L305-S332 VanDerWaalsContact CD1-CA 3.44Å; I328-S332 WeakPolarHBondContact O-CB 3.31Å; I328-S332 PolarHBondContact O-N 3.12Å; I328-S332 PolarHBondContact O-OG 3.41Å; L329-S332 PolarHBondContact O-N 3.08Å; L329-S332 PolarHBondContact O-OG 3.29Å; P330-S332 PolarHBondContact O-N 2.82Å |
| 333 | E | 44 | Very low | 60.1 | Low | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -80.3 | -36.7 | 179.3 | -70.4 | -167.6 | 167.8 | 0 | 0 | 111.9 | L329 P330 K400 | L329-E333 PolarHBondContact O-N 3.41Å; P330-E333 PolarHBondContact O-N 3.16Å; E333-K400 PolarHBondContact O-NZ 3.24Å |
| 334 | F | 51.1 | Low | 62.1 | Low | 50 Ų | 50 | 40.3 Ų | 40.3 | 22% | 0.219 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -85.3 | -45.5 | -175.6 | -66.8 | -64 | 0 | 0 | 0 | 111.9 | R248 P330 F337 K400 V403 I404 | R248-F334 PolarHBondContact NH2-O 2.85Å; P330-F334 HydrophobicContact CB-CD2 4.21Å; P330-F334 WeakPolarHBondContact O-CB 3.5Å; P330-F334 WeakPolarHBondContact O-CD2 3.42Å; P330-F334 PolarHBondContact O-N 2.89Å; F334-F337 WeakPolarHBondContact O-CE2 3.4Å; F334-K400 HydrophobicContact CE1-CG 4.48Å; F334-V403 HydrophobicContact CE1-CB 4.41Å; F334-V403 HydrophobicContact CE1-CG1 4.25Å; F334-V403 HydrophobicContact CE2-CG1 4.12Å; F334-V403 HydrophobicContact CZ-CB 3.92Å; F334-V403 HydrophobicContact CZ-CG1 3.39Å; F334-I404 HydrophobicContact CD1-CD1 4.48Å; F334-I404 HydrophobicContact CD1-CG1 3.87Å; F334-I404 HydrophobicContact CE1-CD1 4.48Å; F334-I404 HydrophobicContact CE1-CG1 3.65Å |
| 335 | G | 55.5 | Low | 63.9 | Low | 22 Ų | 22 | 42 Ų | 42 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | trans | 89.6 | 149.3 | -159.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I331 F337 | I331-G335 VanDerWaalsContact O-CA 3.27Å; I331-G335 WeakPolarHBondContact O-CA 3.26Å; I331-G335 PolarHBondContact O-N 3.47Å; G335-F337 VanDerWaalsContact O-CD2 3.24Å; G335-F337 WeakPolarHBondContact O-CD2 3.42Å; G335-F337 WeakPolarHBondContact O-CE2 3.19Å | ||
| 336 | F | 64.2 | Low | 65.8 | Low | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | trans | -79.5 | 121 | 170.3 | 170.5 | -137.8 | 0 | 0 | 0 | 109.4 | P256 Y257 Y296 M299 Q300 I331 | P256-F336 HydrophobicContact CB-CD2 3.06Å; P256-F336 HydrophobicContact CB-CE2 3.13Å; P256-F336 HydrophobicContact CB-CG 3.94Å; P256-F336 HydrophobicContact CB-CZ 3.98Å; P256-F336 HydrophobicContact CG-CD2 3.78Å; P256-F336 HydrophobicContact CG-CE2 4.12Å; Y257-F336 HydrophobicContact CD1-CE2 4.26Å; Y257-F336 AromaticContact CD1-CZ 3.97Å; Y257-F336 HydrophobicContact CD1-CZ 3.97Å; Y257-F336 HydrophobicContact CE1-CE2 4.02Å; Y257-F336 AromaticContact CE1-CZ 3.84Å; Y257-F336 HydrophobicContact CE1-CZ 3.84Å; Y296-F336 HydrophobicContact CD2-CD1 4.21Å; Y296-F336 AromaticContact CD2-CE1 3.17Å; Y296-F336 HydrophobicContact CD2-CE1 3.17Å; Y296-F336 AromaticContact CD2-CZ 3.56Å; Y296-F336 HydrophobicContact CD2-CZ 3.56Å; Y296-F336 HydrophobicContact CE2-CD1 4Å; Y296-F336 AromaticContact CE2-CE1 3.13Å; Y296-F336 HydrophobicContact CE2-CE1 3.13Å; Y296-F336 HydrophobicContact CE2-CE2 4.21Å; Y296-F336 AromaticContact CE2-CZ 3.27Å; Y296-F336 HydrophobicContact CE2-CZ 3.27Å; Y296-F336 HydrophobicContact CG-CE1 4.15Å; M299-F336 HydrophobicContact CB-CB 4.49Å; M299-F336 HydrophobicContact CB-CD1 3.52Å; M299-F336 HydrophobicContact CB-CE1 4.04Å; M299-F336 HydrophobicContact CB-CG 4.37Å; M299-F336 HydrophobicContact CE-CD1 4.34Å; M299-F336 HydrophobicContact CE-CE1 4.44Å; Q300-F336 HydrophobicContact CG-CD1 3.67Å; Q300-F336 HydrophobicContact CG-CE1 4.34Å; Q300-F336 HydrophobicContact CG-CG 4.3Å; Q300-F336 WeakPolarHBondContact CG-O 3.49Å; I331-F336 HydrophobicContact CG2-CB 4.43Å | ||
| 337 | F | 69.8 | Low | 67.9 | Low | 43 Ų | 43 | 43.2 Ų | 43.2 | 19% | 0.189 | 25% | 0.25 | C | S | . | . | trans | -126.3 | 146.6 | 175.2 | -62.3 | -86.8 | 0 | 0 | 0 | 109.8 | R248 M251 F334 G335 | R248-F337 VanDerWaalsContact CZ-CE2 3.41Å; R248-F337 VanDerWaalsContact CZ-CZ 3.44Å; R248-F337 VanDerWaalsContact NH2-CE2 3.31Å; M251-F337 HydrophobicContact CE-CB 4.37Å; F334-F337 WeakPolarHBondContact O-CE2 3.4Å; G335-F337 VanDerWaalsContact O-CD2 3.24Å; G335-F337 WeakPolarHBondContact O-CD2 3.42Å; G335-F337 WeakPolarHBondContact O-CE2 3.19Å | ||
| 338 | T | 79 | Confident | 70.3 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | trans | -88.5 | 140.5 | 164.5 | 39.3 | 0 | 0 | 0 | 0 | 109.2 | D136 G167 F171 Y257 Y296 | D136-T338 PolarHBondContact OD1-OG1 2.61Å; D136-T338 PolarHBondContact OD2-OG1 2.84Å; G167-T338 VanDerWaalsContact C-CG2 3.44Å; F171-T338 HydrophobicContact CB-CG2 4.34Å; Y257-T338 HydrophobicContact CE1-CG2 4.21Å; Y257-T338 VanDerWaalsContact OH-CG2 3.28Å; Y257-T338 WeakPolarHBondContact OH-CG2 3.09Å; Y296-T338 HydrophobicContact CE2-CG2 3.5Å; Y296-T338 VanDerWaalsContact CE2-CG2 3.5Å; Y296-T338 VanDerWaalsContact CZ-CG2 3.47Å; Y296-T338 WeakPolarHBondContact OH-CB 3.38Å; Y296-T338 WeakPolarHBondContact OH-CG2 3.5Å; Y296-T338 PolarHBondContact OH-OG1 3.47Å | ||
| 339 | S | 86.8 | Confident | 72.6 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | trans | -160 | 163.7 | 170.9 | 60.3 | 0 | 0 | 0 | 0 | 107.6 | R248 F250 M251 | R248-S339 WeakPolarHBondContact O-CB 3.35Å; F250-S339 VanDerWaalsContact C-OG 3.26Å; M251-S339 WeakPolarHBondContact CB-OG 3.4Å; M251-S339 PolarHBondContact N-OG 2.88Å | ||
| 340 | P | 94 | Very high | 75.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -45.6 | 160.5 | 159.5 | -29.4 | 34.3 | 0 | 0 | 0 | 113.4 | F135 F171 N182 L185 L223 A249 F250 M251 L349 | F135-P340 HydrophobicContact CE1-CG 3.97Å; F135-P340 HydrophobicContact CE2-CG 4.31Å; F135-P340 HydrophobicContact CZ-CG 3.83Å; F171-P340 HydrophobicContact CD1-CG 4.48Å; F171-P340 HydrophobicContact CE1-CB 4.39Å; F171-P340 HydrophobicContact CE1-CG 3.79Å; F171-P340 HydrophobicContact CZ-CG 4.44Å; N182-P340 WeakPolarHBondContact OD1-CA 3.32Å; L185-P340 HydrophobicContact CD1-CB 3.73Å; L185-P340 HydrophobicContact CD1-CG 3.78Å; L185-P340 HydrophobicContact CD2-CG 4.19Å; L185-P340 HydrophobicContact CG-CB 4.4Å; L185-P340 HydrophobicContact CG-CG 4.02Å; L223-P340 HydrophobicContact CD1-CB 3.94Å; L223-P340 HydrophobicContact CD1-CG 3.78Å; A249-P340 VanDerWaalsContact O-CD 3.31Å; A249-P340 WeakPolarHBondContact O-CD 3.15Å; F250-P340 CarbonylContact C-O 3.5Å; F250-P340 WeakPolarHBondContact CA-O 3.1Å; F250-P340 HydrophobicContact CB-CB 4.4Å; F250-P340 WeakPolarHBondContact CB-O 3.36Å; M251-P340 PolarHBondContact N-O 2.71Å; P340-L349 HydrophobicContact CB-CD1 4.01Å | ||
| 341 | R | 90.1 | Very high | 77.5 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | trans | -135.6 | 161.3 | 175.3 | 66 | 172.1 | -72.3 | -94.9 | -5.2 | 111.2 | S173 E180 N182 M251 D343 | S173-R341 WeakPolarHBondContact OG-CD 3.09Å; E180-R341 WeakPolarHBondContact O-CD 3.45Å; E180-R341 PolarHBondContact O-NH1 2.79Å; N182-R341 PolarHBondContact ND2-O 2.94Å; N182-R341 PolarHBondContact OD1-N 3.3Å; M251-R341 WeakPolarHBondContact O-CB 3.3Å; R341-D343 PolarHBondContact O-N 2.91Å | ||
| 342 | I | 89.6 | Confident | 79.5 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -68.3 | 121.1 | 163.2 | -60.5 | 174.5 | 0 | 0 | 0 | 107.8 | F250 N252 L349 D352 | F250-I342 HydrophobicContact CD2-CG1 4.33Å; F250-I342 HydrophobicContact CE2-CD1 4.35Å; F250-I342 HydrophobicContact CE2-CG1 4.42Å; N252-I342 WeakPolarHBondContact ND2-CD1 3.18Å; N252-I342 VanDerWaalsContact OD1-CB 3.31Å; N252-I342 WeakPolarHBondContact OD1-CB 3.23Å; N252-I342 WeakPolarHBondContact OD1-CG1 3.3Å; N252-I342 PolarHBondContact OD1-N 2.83Å; I342-L349 WeakPolarHBondContact CA-O 3.36Å; I342-L349 WeakPolarHBondContact CG2-O 3.04Å; I342-D352 VanDerWaalsContact CD1-CA 3.45Å; I342-D352 HydrophobicContact CD1-CB 3.96Å | ||
| 343 | D | 90.4 | Very high | 81.6 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 13% | 0.134 | 20% | 0.203 | C | C | . | . | trans | -112.2 | 5.6 | -174.8 | 55.7 | -0.3 | 0 | 0 | 0 | 113.9 | N182 R341 G347 I348 L349 | N182-D343 PolarHBondContact ND2-OD2 3.39Å; R341-D343 PolarHBondContact O-N 2.91Å; D343-G347 WeakPolarHBondContact OD1-CA 3.49Å; D343-I348 VanDerWaalsContact CG-N 3.29Å; D343-I348 PolarHBondContact OD1-N 2.76Å; D343-I348 PolarHBondContact OD2-N 3.44Å; D343-L349 PolarHBondContact N-O 2.75Å; D343-L349 VanDerWaalsContact OD1-C 3.24Å; D343-L349 WeakPolarHBondContact OD1-CA 3.18Å; D343-L349 PolarHBondContact OD1-N 2.91Å | ||
| 344 | G | 86.7 | Confident | 83.6 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 17% | 0.165 | 19% | 0.19 | C | C | . | . | trans | 93.7 | 173 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D346 G347 P350 | G344-D346 PolarHBondContact O-N 3.39Å; G344-G347 WeakPolarHBondContact O-CA 3.38Å; G344-G347 PolarHBondContact O-N 3.27Å; G344-P350 CarbonylContact C-O 3.59Å; G344-P350 WeakPolarHBondContact O-CA 3.19Å; G344-P350 WeakPolarHBondContact O-CB 3.27Å | ||
| 345 | A | 85.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 33.7 Ų | 33.7 | 68% | 0.678 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -34.2 | -162 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 346 | D | 87.5 | Confident | 86.9 | Confident | 144 Ų | 144 | 34.1 Ų | 34.1 | 77% | 0.77 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 1 | -179.4 | -62.9 | -45.9 | 0 | 0 | 0 | 114 | K229 G344 | K229-D346 WeakPolarHBondContact CE-O 3.37Å; K229-D346 PolarHBondContact NZ-O 2.89Å; G344-D346 PolarHBondContact O-N 3.39Å |
| 347 | G | 92.2 | Very high | 88.2 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -83.5 | -168.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K229 D343 G344 | K229-G347 WeakPolarHBondContact CE-O 3.43Å; D343-G347 WeakPolarHBondContact OD1-CA 3.49Å; G344-G347 WeakPolarHBondContact O-CA 3.38Å; G344-G347 PolarHBondContact O-N 3.27Å |
| 348 | I | 95.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -76.1 | -40.7 | 176.7 | -65.9 | 165.7 | 0 | 0 | 0 | 110.5 | N182 L185 S186 I189 L224 S227 K229 D343 P350 | N182-I348 HydrophobicContact CB-CD1 4.08Å; L185-I348 HydrophobicContact CB-CD1 3.85Å; L185-I348 HydrophobicContact CB-CG2 4.37Å; L185-I348 HydrophobicContact CD1-CG2 4.08Å; S186-I348 WeakPolarHBondContact OG-CD1 3.4Å; I189-I348 HydrophobicContact CD1-CB 4.47Å; I189-I348 HydrophobicContact CD1-CD1 3.78Å; I189-I348 HydrophobicContact CD1-CG1 3.71Å; I189-I348 HydrophobicContact CD1-CG2 3.94Å; L224-I348 HydrophobicContact CD2-CG2 4.33Å; S227-I348 VanDerWaalsContact CB-O 3.23Å; S227-I348 WeakPolarHBondContact CB-O 3.33Å; S227-I348 PolarHBondContact OG-O 2.81Å; K229-I348 HydrophobicContact CG-CG1 4.35Å; D343-I348 VanDerWaalsContact CG-N 3.29Å; D343-I348 PolarHBondContact OD1-N 2.76Å; D343-I348 PolarHBondContact OD2-N 3.44Å; I348-P350 WeakPolarHBondContact O-CD 3.36Å |
| 349 | L | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -119.7 | 86 | -179.8 | -64 | 179.7 | 0 | 0 | 0 | 108.7 | L185 L223 P340 I342 D343 I351 | L185-L349 HydrophobicContact CD1-CD1 4.3Å; L223-L349 HydrophobicContact CB-CD2 4.23Å; L223-L349 HydrophobicContact CD1-CD1 4.34Å; L223-L349 HydrophobicContact CD2-CD1 3.91Å; L223-L349 HydrophobicContact CD2-CD2 4.01Å; P340-L349 HydrophobicContact CB-CD1 4.01Å; I342-L349 WeakPolarHBondContact CA-O 3.36Å; I342-L349 WeakPolarHBondContact CG2-O 3.04Å; D343-L349 PolarHBondContact N-O 2.75Å; D343-L349 VanDerWaalsContact OD1-C 3.24Å; D343-L349 WeakPolarHBondContact OD1-CA 3.18Å; D343-L349 PolarHBondContact OD1-N 2.91Å; L349-I351 VanDerWaalsContact C-N 3.31Å; L349-I351 PolarHBondContact O-N 2.9Å |
| 350 | P | 91.8 | Very high | 89.5 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | trans | -71.5 | -26.4 | -168.1 | 25.6 | -34.6 | 0 | 0 | 0 | 114.7 | P228 G344 I348 L356 | P228-P350 HydrophobicContact CG-CG 4.43Å; G344-P350 CarbonylContact C-O 3.59Å; G344-P350 WeakPolarHBondContact O-CA 3.19Å; G344-P350 WeakPolarHBondContact O-CB 3.27Å; I348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-L356 HydrophobicContact CG-CD2 4.13Å | ||
| 351 | I | 90.4 | Very high | 89.5 | Confident | 77 Ų | 77 | 48.6 Ų | 48.6 | 40% | 0.395 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -147.9 | -178.1 | 176.2 | -157.3 | 164.9 | 0 | 0 | 0 | 109.5 | L349 I355 L356 | L349-I351 VanDerWaalsContact C-N 3.31Å; L349-I351 PolarHBondContact O-N 2.9Å; I351-I355 HydrophobicContact CD1-CD1 4Å; I351-I355 HydrophobicContact CD1-CG2 4.4Å; I351-I355 HydrophobicContact CG1-CD1 4.12Å; I351-I355 HydrophobicContact CG2-CB 4.12Å; I351-I355 HydrophobicContact CG2-CG2 4.07Å; I351-L356 HydrophobicContact CG2-CD2 3.72Å; I351-L356 HydrophobicContact CG2-CG 3.72Å |
| 352 | D | 87.2 | Confident | 89.8 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | trans | -56.4 | 128.7 | -178.8 | -164.7 | -69 | 0 | 0 | 0 | 110.9 | I342 I354 I355 L356 | I342-D352 VanDerWaalsContact CD1-CA 3.45Å; I342-D352 HydrophobicContact CD1-CB 3.96Å; D352-I354 PolarHBondContact O-N 2.69Å; D352-I354 VanDerWaalsContact O-N 3.09Å; D352-I354 VanDerWaalsContact OD1-CB 3.32Å; D352-I354 WeakPolarHBondContact OD1-CB 3.47Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.44Å; D352-I354 PolarHBondContact OD1-N 2.72Å; D352-I355 HydrophobicContact CB-CD1 4.14Å; D352-I355 HydrophobicContact CB-CG1 4.27Å; D352-I355 WeakPolarHBondContact O-CA 3.31Å; D352-I355 WeakPolarHBondContact O-CB 3.43Å; D352-I355 PolarHBondContact O-N 3.44Å; D352-L356 PolarHBondContact O-N 2.84Å | ||
| 353 | P | 88.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.1 | -31.5 | 177.1 | -32.4 | 38.6 | 0 | 0 | 0 | 114.5 | L223 L226 A244 F250 I355 L356 M357 | L223-P353 HydrophobicContact CD2-CB 4.22Å; L223-P353 HydrophobicContact CD2-CG 3.7Å; L226-P353 HydrophobicContact CD1-CB 3.83Å; A244-P353 HydrophobicContact CB-CB 4.45Å; F250-P353 HydrophobicContact CD1-CG 3.74Å; F250-P353 HydrophobicContact CE1-CB 4.2Å; F250-P353 HydrophobicContact CE1-CG 3.66Å; F250-P353 HydrophobicContact CE2-CG 4.49Å; F250-P353 HydrophobicContact CG-CG 4.2Å; F250-P353 HydrophobicContact CZ-CG 4.07Å; P353-I355 VanDerWaalsContact C-N 3.29Å; P353-I355 PolarHBondContact O-N 3.33Å; P353-L356 PolarHBondContact O-N 3.31Å; P353-M357 WeakPolarHBondContact O-CB 3.47Å; P353-M357 VanDerWaalsContact O-CG 3.27Å; P353-M357 WeakPolarHBondContact O-CG 3.43Å; P353-M357 PolarHBondContact O-N 3.28Å |
| 354 | I | 85.2 | Confident | 90.5 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 175.6 | -64.2 | 171.5 | 0 | 0 | 0 | 110.9 | L245 D352 W405 I577 | L245-I354 HydrophobicContact CD2-CG1 3.68Å; D352-I354 PolarHBondContact O-N 2.69Å; D352-I354 VanDerWaalsContact O-N 3.09Å; D352-I354 VanDerWaalsContact OD1-CB 3.32Å; D352-I354 WeakPolarHBondContact OD1-CB 3.47Å; D352-I354 WeakPolarHBondContact OD1-CG1 3.44Å; D352-I354 PolarHBondContact OD1-N 2.72Å; I354-W405 HydrophobicContact CD1-CZ3 4.46Å; I354-I577 HydrophobicContact CG2-CD1 4.35Å; I354-I577 HydrophobicContact CG2-CG1 4.43Å |
| 355 | I | 87.2 | Confident | 91.1 | Very high | 77 Ų | 77 | 48.8 Ų | 48.8 | 40% | 0.395 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 176.5 | -61.5 | 172.3 | 0 | 0 | 0 | 109.8 | I351 D352 P353 M357 Q358 | I351-I355 HydrophobicContact CD1-CD1 4Å; I351-I355 HydrophobicContact CD1-CG2 4.4Å; I351-I355 HydrophobicContact CG1-CD1 4.12Å; I351-I355 HydrophobicContact CG2-CB 4.12Å; I351-I355 HydrophobicContact CG2-CG2 4.07Å; D352-I355 HydrophobicContact CB-CD1 4.14Å; D352-I355 HydrophobicContact CB-CG1 4.27Å; D352-I355 WeakPolarHBondContact O-CA 3.31Å; D352-I355 WeakPolarHBondContact O-CB 3.43Å; D352-I355 PolarHBondContact O-N 3.44Å; P353-I355 VanDerWaalsContact C-N 3.29Å; P353-I355 PolarHBondContact O-N 3.33Å; I355-M357 PolarHBondContact O-N 2.77Å; I355-Q358 WeakPolarHBondContact O-CB 3.27Å; I355-Q358 PolarHBondContact O-N 3.14Å |
| 356 | L | 89.6 | Confident | 91.7 | Very high | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -32 | 176.4 | -69.1 | 174.1 | 0 | 0 | 0 | 112.6 | L226 P350 I351 D352 P353 Q358 D359 R360 | L226-L356 HydrophobicContact CB-CB 4.05Å; L226-L356 HydrophobicContact CB-CD1 4.06Å; L226-L356 HydrophobicContact CD1-CB 4.27Å; L226-L356 HydrophobicContact CD2-CB 4.42Å; L226-L356 HydrophobicContact CG-CB 4.48Å; P350-L356 HydrophobicContact CG-CD2 4.13Å; I351-L356 HydrophobicContact CG2-CD2 3.72Å; I351-L356 HydrophobicContact CG2-CG 3.72Å; D352-L356 PolarHBondContact O-N 2.84Å; P353-L356 PolarHBondContact O-N 3.31Å; L356-Q358 PolarHBondContact O-N 3.48Å; L356-D359 CarbonylContact O-C 3.38Å; L356-D359 PolarHBondContact O-N 3.01Å; L356-R360 WeakPolarHBondContact O-CB 2.93Å; L356-R360 PolarHBondContact O-N 3.1Å |
| 357 | M | 90.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.044 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -67.4 | -20.5 | 177.2 | -80 | -173.5 | 179.5 | 0 | 0 | 114.2 | L226 A244 L245 P353 I355 D359 D459 T462 | L226-M357 HydrophobicContact CD1-CE 3.98Å; L226-M357 HydrophobicContact CD1-CG 3.99Å; L226-M357 HydrophobicContact CD2-CG 3.7Å; A244-M357 HydrophobicContact CB-CE 3.8Å; L245-M357 HydrophobicContact CD1-CE 4.15Å; L245-M357 HydrophobicContact CD1-SD 3.66Å; L245-M357 HydrophobicContact CD2-CE 4Å; L245-M357 HydrophobicContact CD2-SD 3.68Å; L245-M357 HydrophobicContact CG-CE 3.68Å; L245-M357 HydrophobicContact CG-SD 3.68Å; P353-M357 WeakPolarHBondContact O-CB 3.47Å; P353-M357 VanDerWaalsContact O-CG 3.27Å; P353-M357 WeakPolarHBondContact O-CG 3.43Å; P353-M357 PolarHBondContact O-N 3.28Å; I355-M357 PolarHBondContact O-N 2.77Å; M357-D359 VanDerWaalsContact C-N 3.34Å; M357-D459 HydrophobicContact CE-CB 4.36Å; M357-T462 HydrophobicContact CB-CG2 4.04Å; M357-T462 HydrophobicContact SD-CG2 4.02Å; M357-T462 PolarHBondContact SD-OG1 3.13Å |
| 358 | Q | 85.1 | Confident | 92.4 | Very high | 110 Ų | 110 | 37.5 Ų | 37.5 | 51% | 0.514 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -70.5 | -31.9 | 179 | -64.9 | 177.1 | -3.3 | 0 | 0 | 112.5 | I355 L356 | I355-Q358 WeakPolarHBondContact O-CB 3.27Å; I355-Q358 PolarHBondContact O-N 3.14Å; L356-Q358 PolarHBondContact O-N 3.48Å |
| 359 | D | 84.5 | Confident | 92.5 | Very high | 156 Ų | 156 | 37.1 Ų | 37.1 | 83% | 0.834 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -129.7 | 45.9 | 178.9 | -167.4 | 29.7 | 0 | 0 | 0 | 110.1 | L356 M357 | L356-D359 CarbonylContact O-C 3.38Å; L356-D359 PolarHBondContact O-N 3.01Å; M357-D359 VanDerWaalsContact C-N 3.34Å |
| 360 | R | 93.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -79.1 | 150 | 178.2 | 68.8 | -174.1 | -60.3 | -177.7 | 3.4 | 110.9 | T225 L226 L356 S362 D459 T462 M463 A466 | T225-R360 PolarHBondContact OG1-NH2 2.64Å; L226-R360 HydrophobicContact CD2-CB 3.72Å; L356-R360 WeakPolarHBondContact O-CB 2.93Å; L356-R360 PolarHBondContact O-N 3.1Å; R360-S362 PolarHBondContact O-N 3.46Å; R360-D459 IonicContact CZ-OD1 2.69Å; R360-D459 PolarHBondContact NH1-O 3.2Å; R360-D459 IonicContact NH1-OD1 3.52Å; R360-D459 PolarHBondContact NH1-OD1 3.12Å; R360-D459 IonicContact NH2-OD1 3.6Å; R360-D459 PolarHBondContact NH2-OD1 2.88Å; R360-T462 PolarHBondContact NH1-OG1 3.46Å; R360-M463 VanDerWaalsContact NH2-CE 3.29Å; R360-A466 HydrophobicContact CG-CB 3.68Å |
| 361 | R | 94.3 | Very high | 92.5 | Very high | 73 Ų | 73 | 41.1 Ų | 41.1 | 28% | 0.275 | 21% | 0.209 | S | C | . | . | P | Polyproline II helix | trans | -64.6 | 132.3 | 170.9 | -61 | 180 | -65.8 | 112.6 | -7.4 | 110.3 | T225 S227 T230 | T225-R361 PolarHBondContact O-NH2 3.43Å; S227-R361 PolarHBondContact O-NH2 2.92Å; T230-R361 PolarHBondContact OG1-NH2 2.67Å |
| 362 | S | 95.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 49% | 0.49 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -79.9 | 145.4 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 112 | R360 A466 | R360-S362 PolarHBondContact O-N 3.46Å; S362-A466 VanDerWaalsContact CB-O 3.27Å; S362-A466 WeakPolarHBondContact CB-O 3.36Å |
| 363 | M | 97.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.059 | 18% | 0.183 | C | C | . | . | trans | -159.3 | 163.3 | 175.2 | 59.9 | -173.1 | 71.8 | 0 | 0 | 109.6 | T225 M234 A237 Y365 M463 G468 | T225-M363 HydrophobicContact CG2-CE 4.49Å; T225-M363 HydrophobicContact CG2-SD 4.08Å; M234-M363 HydrophobicContact CE-CE 4.24Å; M234-M363 HydrophobicContact CE-SD 4.39Å; A237-M363 HydrophobicContact CB-SD 4.29Å; M363-Y365 PolarHBondContact O-N 3.03Å; M363-M463 HydrophobicContact CG-CE 3.6Å; M363-M463 HydrophobicContact CG-SD 4.13Å; M363-M463 HydrophobicContact SD-CE 4.25Å; M363-G468 WeakPolarHBondContact O-CA 3.48Å | ||
| 364 | P | 98.6 | Very high | 92.2 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | trans | -57.3 | 131.4 | 163.9 | -20.3 | 32.4 | 0 | 0 | 0 | 110.3 | E235 Q236 A237 F520 | E235-P364 WeakPolarHBondContact O-CD 3.25Å; Q236-P364 WeakPolarHBondContact CA-O 3.35Å; Q236-P364 HydrophobicContact CB-CB 3.86Å; Q236-P364 HydrophobicContact CB-CG 4.21Å; Q236-P364 VanDerWaalsContact CB-O 3.31Å; Q236-P364 WeakPolarHBondContact CB-O 3.15Å; A237-P364 PolarHBondContact N-O 3.19Å; P364-F520 HydrophobicContact CB-CE2 3.99Å; P364-F520 HydrophobicContact CB-CZ 3.92Å | ||
| 365 | Y | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 113.4 | -170 | -158.6 | -125.4 | 0 | 0 | 0 | 110.9 | S222 T225 A237 V239 M363 L367 D459 M463 T469 V470 Y471 | S222-Y365 PolarHBondContact OG-OH 3.48Å; T225-Y365 HydrophobicContact CG2-CE2 3.91Å; A237-Y365 HydrophobicContact CB-CD2 3.78Å; A237-Y365 HydrophobicContact CB-CE2 3.73Å; V239-Y365 HydrophobicContact CG2-CE2 3.75Å; V239-Y365 WeakPolarHBondContact CG2-OH 3.32Å; M363-Y365 PolarHBondContact O-N 3.03Å; Y365-L367 HydrophobicContact CD1-CD1 4.19Å; Y365-L367 HydrophobicContact CD1-CD2 3.94Å; Y365-L367 HydrophobicContact CE1-CD1 3.72Å; Y365-L367 HydrophobicContact CE1-CD2 4.33Å; Y365-L367 HydrophobicContact CE1-CG 4.44Å; Y365-D459 WeakPolarHBondContact CE1-OD1 3.39Å; Y365-D459 PolarHBondContact OH-OD1 2.97Å; Y365-D459 PolarHBondContact OH-OD2 3.36Å; Y365-M463 HydrophobicContact CD1-CB 3.84Å; Y365-M463 HydrophobicContact CD1-CE 4.13Å; Y365-M463 HydrophobicContact CD1-CG 3.76Å; Y365-M463 HydrophobicContact CD2-CE 3.68Å; Y365-M463 HydrophobicContact CE1-CB 4.3Å; Y365-M463 HydrophobicContact CE1-CE 4.37Å; Y365-M463 HydrophobicContact CE2-CE 3.99Å; Y365-M463 HydrophobicContact CG-CB 4.4Å; Y365-M463 HydrophobicContact CG-CE 3.77Å; Y365-M463 HydrophobicContact CG-CG 3.81Å; Y365-T469 PolarHBondContact N-O 3.31Å; Y365-V470 CarbonylContact O-C 3.13Å; Y365-V470 VanDerWaalsContact O-CA 3.26Å; Y365-V470 WeakPolarHBondContact O-CA 3.42Å; Y365-Y471 PolarHBondContact O-N 3Å |
| 366 | L | 98.7 | Very high | 90 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.4 | 175 | -169.4 | 160.4 | 0 | 0 | 0 | 108.2 | A237 I238 V239 Y471 Y473 L517 F520 P526 W536 | A237-L366 PolarHBondContact O-N 3.44Å; I238-L366 CarbonylContact C-O 3.44Å; I238-L366 VanDerWaalsContact CA-O 3.24Å; I238-L366 WeakPolarHBondContact CA-O 3.23Å; I238-L366 HydrophobicContact CG1-CB 4.27Å; I238-L366 HydrophobicContact CG2-CD2 4.17Å; V239-L366 PolarHBondContact N-O 3.07Å; L366-Y471 WeakPolarHBondContact CA-O 3.5Å; L366-Y473 HydrophobicContact CD2-CD1 3.82Å; L366-Y473 HydrophobicContact CD2-CE1 3.72Å; L366-L517 HydrophobicContact CD1-CD2 4.43Å; L366-L517 HydrophobicContact CD2-CD2 4.28Å; L366-F520 HydrophobicContact CB-CD1 3.94Å; L366-F520 HydrophobicContact CB-CD2 4.17Å; L366-F520 HydrophobicContact CB-CE1 3.74Å; L366-F520 HydrophobicContact CB-CE2 4Å; L366-F520 HydrophobicContact CB-CG 4.14Å; L366-F520 HydrophobicContact CB-CZ 3.77Å; L366-F520 HydrophobicContact CD1-CB 3.84Å; L366-F520 HydrophobicContact CD1-CD1 4.07Å; L366-F520 HydrophobicContact CD1-CD2 4.09Å; L366-F520 HydrophobicContact CD1-CG 3.72Å; L366-P526 HydrophobicContact CD1-CB 4.39Å; L366-W536 HydrophobicContact CD1-CH2 4.08Å; L366-W536 HydrophobicContact CD1-CZ3 4.14Å; L366-W536 HydrophobicContact CD2-CH2 4.19Å; L366-W536 HydrophobicContact CG-CH2 4.1Å |
| 367 | L | 98.3 | Very high | 88 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 160.7 | 177 | 75.6 | 175.1 | 0 | 0 | 0 | 112.8 | V239 Y365 V456 D459 A460 V470 Y471 L472 Y473 | V239-L367 HydrophobicContact CB-CB 3.97Å; V239-L367 WeakPolarHBondContact O-CA 3.33Å; V239-L367 VanDerWaalsContact O-CB 3.32Å; V239-L367 WeakPolarHBondContact O-CB 3.49Å; Y365-L367 HydrophobicContact CD1-CD1 4.19Å; Y365-L367 HydrophobicContact CD1-CD2 3.94Å; Y365-L367 HydrophobicContact CE1-CD1 3.72Å; Y365-L367 HydrophobicContact CE1-CD2 4.33Å; Y365-L367 HydrophobicContact CE1-CG 4.44Å; L367-V456 HydrophobicContact CD1-CG1 3.83Å; L367-V456 WeakPolarHBondContact CD1-O 3.5Å; L367-V456 HydrophobicContact CG-CG1 3.98Å; L367-D459 HydrophobicContact CD1-CB 4.18Å; L367-A460 HydrophobicContact CD1-CB 3.9Å; L367-A460 HydrophobicContact CD2-CB 3.77Å; L367-A460 HydrophobicContact CG-CB 4.22Å; L367-V470 HydrophobicContact CD2-CG1 3.45Å; L367-V470 VanDerWaalsContact CD2-CG1 3.45Å; L367-Y471 PolarHBondContact N-O 3.45Å; L367-Y471 VanDerWaalsContact O-O 3.09Å; L367-L472 HydrophobicContact CD2-CD1 4.34Å; L367-L472 HydrophobicContact CG-CD1 4.12Å; L367-L472 CarbonylContact O-C 3.55Å; L367-L472 VanDerWaalsContact O-CA 3.26Å; L367-L472 WeakPolarHBondContact O-CA 3.39Å; L367-Y473 WeakPolarHBondContact O-CD1 3.17Å; L367-Y473 PolarHBondContact O-N 3.31Å |
| 368 | G | 96.4 | Very high | 86 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -174.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | V239 S241 Y473 | V239-G368 PolarHBondContact O-N 2.76Å; S241-G368 PolarHBondContact N-O 3.03Å; G368-Y473 VanDerWaalsContact CA-CE1 3.43Å; G368-Y473 WeakPolarHBondContact CA-O 3.38Å |
| 369 | T | 96.6 | Very high | 84 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.7 | -172 | 68.3 | 0 | 0 | 0 | 0 | 110.6 | E373 I452 F453 V456 Y473 S474 F475 Y560 | T369-E373 WeakPolarHBondContact CB-OE1 3.38Å; T369-I452 HydrophobicContact CG2-CG2 3.43Å; T369-I452 VanDerWaalsContact CG2-CG2 3.43Å; T369-F453 HydrophobicContact CG2-CD1 4.01Å; T369-F453 HydrophobicContact CG2-CE1 4.45Å; T369-F453 WeakPolarHBondContact OG1-CE1 3.24Å; T369-V456 HydrophobicContact CG2-CB 4Å; T369-V456 HydrophobicContact CG2-CG1 3.96Å; T369-V456 HydrophobicContact CG2-CG2 3.82Å; T369-Y473 PolarHBondContact N-O 3.32Å; T369-S474 CarbonylContact O-C 3.51Å; T369-S474 VanDerWaalsContact O-CA 3.28Å; T369-S474 WeakPolarHBondContact O-CA 3.35Å; T369-F475 PolarHBondContact O-N 3.35Å; T369-Y560 WeakPolarHBondContact CB-OH 3.23Å; T369-Y560 WeakPolarHBondContact CG2-OH 3.39Å; T369-Y560 PolarHBondContact OG1-OH 3.1Å |
| 370 | T | 94.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 153.4 | 158.9 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | G372 E373 F453 V489 D490 | T370-G372 PolarHBondContact O-N 3.2Å; T370-E373 WeakPolarHBondContact CA-OE1 3.4Å; T370-E373 WeakPolarHBondContact CB-OE1 3.2Å; T370-E373 PolarHBondContact N-OE1 2.88Å; T370-E373 PolarHBondContact OG1-OE1 2.67Å; T370-F453 VanDerWaalsContact O-CE1 3.28Å; T370-F453 WeakPolarHBondContact O-CE1 3.31Å; T370-V489 HydrophobicContact CG2-CG1 3.87Å; T370-D490 HydrophobicContact CG2-CB 4.46Å |
| 371 | K | 91.3 | Very high | 78.9 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.9 | 176.6 | -165.3 | -178.6 | -173.3 | 171.3 | 0 | 113.6 | F475 D476 | K371-F475 PolarHBondContact N-O 2.85Å; K371-D476 WeakPolarHBondContact CB-OD1 3.47Å; K371-D476 HydrophobicContact CD-CB 4.34Å; K371-D476 VanDerWaalsContact CD-OD1 3.3Å; K371-D476 WeakPolarHBondContact CD-OD1 3.19Å; K371-D476 WeakPolarHBondContact CG-OD1 3.48Å |
| 372 | G | 87.6 | Confident | 75.9 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -134.4 | 56.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T370 F374 T375 T485 P486 H487 | T370-G372 PolarHBondContact O-N 3.2Å; G372-F374 VanDerWaalsContact C-N 3.31Å; G372-F374 PolarHBondContact O-N 3.3Å; G372-T375 VanDerWaalsContact O-CG2 3.31Å; G372-T375 WeakPolarHBondContact O-CG2 3.47Å; G372-T375 PolarHBondContact O-N 3.42Å; G372-T375 PolarHBondContact O-OG1 2.72Å; G372-T485 CarbonylContact C-O 3.44Å; G372-T485 WeakPolarHBondContact CA-O 3.23Å; G372-T485 PolarHBondContact N-O 2.9Å; G372-P486 WeakPolarHBondContact O-CA 3.16Å; G372-H487 PolarHBondContact O-N 2.95Å |
| 373 | E | 89.5 | Confident | 72.8 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -42.8 | -176.5 | -66.2 | -65.3 | 149.4 | 0 | 0 | 114.5 | S241 T369 T370 I452 F453 H487 | S241-E373 WeakPolarHBondContact CB-OE1 3.4Å; S241-E373 PolarHBondContact OG-OE1 3.11Å; S241-E373 VanDerWaalsContact OG-OE1 3.05Å; T369-E373 WeakPolarHBondContact CB-OE1 3.38Å; T370-E373 WeakPolarHBondContact CA-OE1 3.4Å; T370-E373 WeakPolarHBondContact CB-OE1 3.2Å; T370-E373 PolarHBondContact N-OE1 2.88Å; T370-E373 PolarHBondContact OG1-OE1 2.67Å; E373-I452 HydrophobicContact CB-CB 4.3Å; E373-I452 HydrophobicContact CB-CG1 4.24Å; E373-I452 HydrophobicContact CG-CB 3.87Å; E373-I452 HydrophobicContact CG-CG1 4.18Å; E373-I452 HydrophobicContact CG-CG2 3.68Å; E373-F453 HydrophobicContact CB-CE1 4.43Å; E373-F453 HydrophobicContact CG-CD1 4.15Å; E373-F453 HydrophobicContact CG-CE1 3.51Å; E373-F453 HydrophobicContact CG-CZ 4.3Å; E373-H487 VanDerWaalsContact O-CB 3.27Å; E373-H487 WeakPolarHBondContact O-CB 3.47Å; E373-H487 IonicContact OE2-CE1 3.1Å; E373-H487 IonicContact OE2-CG 2.79Å; E373-H487 IonicContact OE2-ND1 2.65Å; E373-H487 PolarHBondContact OE2-ND1 3.27Å |
| 374 | F | 84.1 | Confident | 69.8 | Low | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 35.6 | -178.9 | -59.8 | -74.9 | 0 | 0 | 0 | 113 | G372 E376 R447 N448 I452 | G372-F374 VanDerWaalsContact C-N 3.31Å; G372-F374 PolarHBondContact O-N 3.3Å; F374-E376 PolarHBondContact O-N 3.02Å; F374-R447 HydrophobicContact CB-CB 4.18Å; F374-R447 VanDerWaalsContact CD2-C 3.49Å; F374-R447 HydrophobicContact CD2-CB 3.98Å; F374-R447 VanDerWaalsContact CD2-O 3.31Å; F374-R447 WeakPolarHBondContact CD2-O 3.46Å; F374-R447 WeakPolarHBondContact CE2-O 3.23Å; F374-R447 HydrophobicContact CG-CB 4.18Å; F374-N448 WeakPolarHBondContact CB-OD1 3.23Å; F374-N448 WeakPolarHBondContact CD2-OD1 3.41Å; F374-N448 PolarHBondContact N-OD1 2.77Å; F374-I452 HydrophobicContact CE2-CB 4.5Å; F374-I452 HydrophobicContact CE2-CG1 3.81Å; F374-I452 HydrophobicContact CZ-CG1 3.96Å |
| 375 | T | 70.1 | Confident | 66.9 | Low | 41 Ų | 41 | 65.9 Ų | 65.9 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | trans | -63.8 | 130.3 | 175 | 57.5 | 0 | 0 | 0 | 0 | 111 | G372 S377 S484 P486 | G372-T375 VanDerWaalsContact O-CG2 3.31Å; G372-T375 WeakPolarHBondContact O-CG2 3.47Å; G372-T375 PolarHBondContact O-N 3.42Å; G372-T375 PolarHBondContact O-OG1 2.72Å; T375-S377 PolarHBondContact O-N 2.76Å; T375-S484 WeakPolarHBondContact CB-OG 3.41Å; T375-S484 WeakPolarHBondContact CG2-OG 3.45Å; T375-S484 PolarHBondContact OG1-OG 3.22Å; T375-P486 WeakPolarHBondContact OG1-CB 3.48Å | ||
| 376 | E | 54.5 | Low | 63.9 | Low | 140 Ų | 140 | 73.9 Ų | 73.9 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | trans | -72.8 | 123.9 | 172 | -71.4 | -177.9 | 169.4 | 0 | 0 | 109.8 | F374 K378 | F374-E376 PolarHBondContact O-N 3.02Å; E376-K378 PolarHBondContact O-N 3.38Å | ||
| 377 | S | 49.2 | Very low | 61.4 | Low | 62 Ų | 62 | 82.5 Ų | 82.5 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | trans | -68 | 114.3 | 169.8 | 61 | 0 | 0 | 0 | 0 | 108.4 | T375 N379 K380 | T375-S377 PolarHBondContact O-N 2.76Å; S377-N379 PolarHBondContact O-N 2.75Å; S377-K380 PolarHBondContact O-N 3.01Å; S377-K380 WeakPolarHBondContact OG-CG 3.29Å | ||
| 378 | K | 46.8 | Very low | 60 | Low | 172 Ų | 172 | 89.5 Ų | 89.5 | 75% | 0.748 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -24.7 | 171.5 | -71 | -178.8 | 179.2 | 165.2 | 0 | 113.1 | E376 K380 D483 | E376-K378 PolarHBondContact O-N 3.38Å; K378-K380 VanDerWaalsContact C-N 3.32Å; K378-K380 PolarHBondContact O-N 2.91Å; K378-D483 WeakPolarHBondContact CE-OD2 3.46Å; K378-D483 IonicContact NZ-OD2 3.47Å; K378-D483 PolarHBondContact NZ-OD2 3.35Å |
| 379 | N | 43.5 | Very low | 59.3 | Low | 158 Ų | 158 | 90 Ų | 90 | 85% | 0.845 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.3 | 177.5 | -80.3 | -0.8 | 0 | 0 | 0 | 115.6 | S377 T381 | S377-N379 PolarHBondContact O-N 2.75Å; N379-T381 VanDerWaalsContact C-N 3.26Å; N379-T381 PolarHBondContact O-N 2.98Å |
| 380 | K | 38.8 | Very low | 58.9 | Low | 137 Ų | 137 | 93.1 Ų | 93.1 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -70.6 | 95.6 | 166 | -91.1 | 174.9 | -174.5 | 178 | 0 | 106.8 | S377 K378 | S377-K380 PolarHBondContact O-N 3.01Å; S377-K380 WeakPolarHBondContact OG-CG 3.29Å; K378-K380 VanDerWaalsContact C-N 3.32Å; K378-K380 PolarHBondContact O-N 2.91Å |
| 381 | T | 32.6 | Very low | 58.5 | Low | 101 Ų | 101 | 94.6 Ų | 94.6 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | trans | 12.8 | 115.7 | 159.8 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | N379 V383 A384 | N379-T381 VanDerWaalsContact C-N 3.26Å; N379-T381 PolarHBondContact O-N 2.98Å; T381-V383 PolarHBondContact O-N 2.81Å; T381-A384 PolarHBondContact O-N 2.78Å; T381-A384 VanDerWaalsContact O-N 3.07Å | ||
| 382 | A | 30.4 | Very low | 58.3 | Low | 95 Ų | 95 | 90.3 Ų | 90.3 | 79% | 0.785 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | 3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A385 | A382-A385 WeakPolarHBondContact O-CA 3.32Å; A382-A385 PolarHBondContact O-N 3.15Å |
| 383 | V | 31.5 | Very low | 58.2 | Low | 134 Ų | 134 | 92.6 Ų | 92.6 | 81% | 0.812 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -28.3 | 170.4 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | T381 A385 | T381-V383 PolarHBondContact O-N 2.81Å; V383-A385 PolarHBondContact O-N 3.22Å |
| 384 | A | 35 | Very low | 58.2 | Low | 78 Ų | 78 | 92.1 Ų | 92.1 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -81.1 | 63.4 | 153.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | T381 E386 | T381-A384 PolarHBondContact O-N 2.78Å; T381-A384 VanDerWaalsContact O-N 3.07Å; A384-E386 PolarHBondContact O-N 2.98Å; A384-E386 VanDerWaalsContact O-N 3.11Å |
| 385 | A | 36.3 | Very low | 58.4 | Low | 73 Ų | 73 | 89.5 Ų | 89.5 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | trans | -45.4 | 123 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | A382 V383 E387 | A382-A385 WeakPolarHBondContact O-CA 3.32Å; A382-A385 PolarHBondContact O-N 3.15Å; V383-A385 PolarHBondContact O-N 3.22Å; A385-E387 VanDerWaalsContact C-N 3.3Å; A385-E387 PolarHBondContact O-N 3Å | ||
| 386 | E | 35.7 | Very low | 59.1 | Low | 169 Ų | 169 | 91.7 Ų | 91.7 | 79% | 0.79 | 51% | 0.509 | S | S | * | . | trans | -44.4 | 91.1 | -178.1 | -63.5 | 168.3 | 149 | 0 | 0 | 110.2 | A384 Q388 | A384-E386 PolarHBondContact O-N 2.98Å; A384-E386 VanDerWaalsContact O-N 3.11Å; E386-Q388 HydrophobicContact CB-CG 4.47Å; E386-Q388 PolarHBondContact O-N 3.42Å | ||
| 387 | E | 46.5 | Very low | 60.6 | Low | 182 Ų | 182 | 86 Ų | 86 | 85% | 0.85 | 49% | 0.486 | S | S | * | . | trans | -67 | 85.4 | 146.1 | -86.1 | -173.7 | 169.6 | 0 | 0 | 103.7 | A385 A389 | A385-E387 VanDerWaalsContact C-N 3.3Å; A385-E387 PolarHBondContact O-N 3Å; E387-A389 PolarHBondContact O-N 2.81Å | ||
| 388 | Q | 69.4 | Low | 62.4 | Low | 146 Ų | 146 | 83 Ų | 83 | 68% | 0.682 | 47% | 0.466 | S | S | * | . | trans | -43.2 | 119.3 | 161.4 | -75.2 | -175.6 | -8.9 | 0 | 0 | 105.2 | E386 T390 | E386-Q388 HydrophobicContact CB-CG 4.47Å; E386-Q388 PolarHBondContact O-N 3.42Å; Q388-T390 PolarHBondContact O-N 3.02Å | ||
| 389 | A | 82 | Confident | 64.2 | Low | 11 Ų | 11 | 79.5 Ų | 79.5 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | trans | -54.1 | 137.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | E387 T393 W439 S440 V443 | E387-A389 PolarHBondContact O-N 2.81Å; A389-T393 HydrophobicContact CB-CG2 4.06Å; A389-W439 HydrophobicContact CB-CB 3.93Å; A389-W439 WeakPolarHBondContact O-CB 3.04Å; A389-S440 PolarHBondContact N-OG 3.24Å; A389-S440 VanDerWaalsContact N-OG 3.12Å; A389-V443 HydrophobicContact CB-CG2 3.97Å | ||
| 390 | T | 86.8 | Confident | 65.9 | Low | 65 Ų | 65 | 76.1 Ų | 76.1 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | trans | -97.4 | 167 | 177.3 | 65.6 | 0 | 0 | 0 | 0 | 108.5 | Q388 L392 T393 L394 | Q388-T390 PolarHBondContact O-N 3.02Å; T390-L392 PolarHBondContact O-N 3.04Å; T390-L392 PolarHBondContact OG1-N 3.4Å; T390-T393 PolarHBondContact N-OG1 3.28Å; T390-T393 WeakPolarHBondContact O-CA 3.45Å; T390-T393 VanDerWaalsContact O-CB 3.26Å; T390-T393 WeakPolarHBondContact O-CB 3.24Å; T390-T393 PolarHBondContact O-N 3.33Å; T390-T393 PolarHBondContact OG1-N 2.78Å; T390-T393 VanDerWaalsContact OG1-N 3.15Å; T390-T393 PolarHBondContact OG1-OG1 2.78Å; T390-L394 PolarHBondContact O-N 2.9Å; T390-L394 VanDerWaalsContact O-N 3.1Å | ||
| 391 | P | 87 | Confident | 67.8 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 20% | 0.201 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.8 | -38 | 166 | -25.8 | 32.6 | 0 | 0 | 0 | 113 | T393 L394 L395 F420 W439 I608 I612 | P391-T393 VanDerWaalsContact C-N 3.34Å; P391-T393 PolarHBondContact O-N 3.39Å; P391-L394 PolarHBondContact O-N 3.48Å; P391-L395 PolarHBondContact O-N 3.12Å; P391-F420 HydrophobicContact CB-CE2 4.29Å; P391-F420 HydrophobicContact CB-CZ 4.18Å; P391-F420 WeakPolarHBondContact O-CE2 3.14Å; P391-W439 HydrophobicContact CB-CH2 4.44Å; P391-W439 HydrophobicContact CB-CZ2 4.29Å; P391-W439 HydrophobicContact CG-CD2 4.18Å; P391-W439 HydrophobicContact CG-CH2 4.22Å; P391-W439 HydrophobicContact CG-CZ2 3.6Å; P391-I608 HydrophobicContact CB-CG2 3.93Å; P391-I608 HydrophobicContact CG-CG2 4.17Å; P391-I612 HydrophobicContact CB-CD1 3.08Å; P391-I612 HydrophobicContact CB-CG1 3.96Å; P391-I612 HydrophobicContact CG-CD1 4.25Å |
| 392 | L | 86.8 | Confident | 70 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175 | -179.9 | 61.3 | 0 | 0 | 0 | 111.8 | T390 L394 L395 L396 I612 A616 | T390-L392 PolarHBondContact O-N 3.04Å; T390-L392 PolarHBondContact OG1-N 3.4Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 3.02Å; L392-L395 PolarHBondContact O-N 2.94Å; L392-L396 HydrophobicContact CD1-CD1 4.26Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CG-CD1 4.06Å; L392-L396 HydrophobicContact CG-CG 4.35Å; L392-L396 WeakPolarHBondContact O-CB 3.41Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.19Å; L392-L396 PolarHBondContact O-N 3.37Å; L392-I612 HydrophobicContact CB-CG2 3.94Å; L392-I612 HydrophobicContact CD1-CG2 3.64Å; L392-I612 HydrophobicContact CG-CG2 4.4Å; L392-A616 HydrophobicContact CD1-CB 4.09Å |
| 393 | T | 86.4 | Confident | 71.9 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 174.8 | -47.7 | 0 | 0 | 0 | 0 | 111.2 | A389 T390 P391 L396 A397 V443 | A389-T393 HydrophobicContact CB-CG2 4.06Å; T390-T393 PolarHBondContact N-OG1 3.28Å; T390-T393 WeakPolarHBondContact O-CA 3.45Å; T390-T393 VanDerWaalsContact O-CB 3.26Å; T390-T393 WeakPolarHBondContact O-CB 3.24Å; T390-T393 PolarHBondContact O-N 3.33Å; T390-T393 PolarHBondContact OG1-N 2.78Å; T390-T393 VanDerWaalsContact OG1-N 3.15Å; T390-T393 PolarHBondContact OG1-OG1 2.78Å; P391-T393 VanDerWaalsContact C-N 3.34Å; P391-T393 PolarHBondContact O-N 3.39Å; T393-L396 PolarHBondContact O-N 3.34Å; T393-A397 WeakPolarHBondContact O-CB 3.38Å; T393-A397 PolarHBondContact O-N 3.3Å; T393-V443 HydrophobicContact CG2-CG2 4.37Å |
| 394 | L | 88.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 176.1 | 179.6 | 61.1 | 0 | 0 | 0 | 111.9 | T390 P391 L392 L396 A397 C398 F420 W439 A442 V443 L446 | T390-L394 PolarHBondContact O-N 2.9Å; T390-L394 VanDerWaalsContact O-N 3.1Å; P391-L394 PolarHBondContact O-N 3.48Å; L392-L394 VanDerWaalsContact C-N 3.31Å; L392-L394 PolarHBondContact O-N 3.02Å; L394-L396 VanDerWaalsContact C-N 3.35Å; L394-L396 PolarHBondContact O-N 3.4Å; L394-A397 PolarHBondContact O-N 2.93Å; L394-C398 PolarHBondContact O-N 3.07Å; L394-F420 HydrophobicContact CB-CD2 4.31Å; L394-F420 HydrophobicContact CB-CE2 4.19Å; L394-F420 HydrophobicContact CD2-CD2 4Å; L394-F420 HydrophobicContact CD2-CE2 4Å; L394-F420 HydrophobicContact CG-CD2 3.98Å; L394-F420 HydrophobicContact CG-CE2 4.21Å; L394-W439 HydrophobicContact CD2-CE3 3.91Å; L394-W439 HydrophobicContact CD2-CZ3 3.9Å; L394-A442 HydrophobicContact CD2-CB 4.5Å; L394-V443 HydrophobicContact CB-CG2 4.07Å; L394-V443 HydrophobicContact CD1-CG2 4.01Å; L394-L446 HydrophobicContact CD1-CD2 3.89Å |
| 395 | L | 88 | Confident | 74.9 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178.2 | -174.3 | 69.9 | 0 | 0 | 0 | 111.8 | P391 L392 C398 K399 V416 F420 L609 I612 F613 A616 | P391-L395 PolarHBondContact O-N 3.12Å; L392-L395 PolarHBondContact O-N 2.94Å; L395-C398 PolarHBondContact O-N 3.1Å; L395-K399 PolarHBondContact O-N 3.06Å; L395-V416 HydrophobicContact CD1-CG1 3.51Å; L395-V416 HydrophobicContact CG-CG1 4.32Å; L395-F420 HydrophobicContact CB-CD2 4Å; L395-F420 HydrophobicContact CB-CE2 4.38Å; L395-F420 HydrophobicContact CD1-CB 4.2Å; L395-F420 HydrophobicContact CD1-CD2 4.12Å; L395-F420 HydrophobicContact CD1-CG 4.37Å; L395-L609 HydrophobicContact CD1-CD1 4.11Å; L395-I612 HydrophobicContact CB-CG2 4.29Å; L395-I612 HydrophobicContact CD2-CB 4.39Å; L395-I612 HydrophobicContact CD2-CG2 3.56Å; L395-F613 HydrophobicContact CD1-CD2 4.15Å; L395-F613 HydrophobicContact CD1-CE2 3.47Å; L395-F613 VanDerWaalsContact CD1-CE2 3.47Å; L395-F613 HydrophobicContact CD1-CZ 3.98Å; L395-F613 HydrophobicContact CD2-CD2 4.11Å; L395-F613 HydrophobicContact CD2-CE2 4.15Å; L395-F613 HydrophobicContact CG-CE2 4.46Å; L395-A616 HydrophobicContact CD2-CB 4.37Å |
| 396 | L | 84.8 | Confident | 76.1 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 176.8 | -68.6 | 175.8 | 0 | 0 | 0 | 111.8 | L392 T393 L394 K399 K400 | L392-L396 HydrophobicContact CD1-CD1 4.26Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CG-CD1 4.06Å; L392-L396 HydrophobicContact CG-CG 4.35Å; L392-L396 WeakPolarHBondContact O-CB 3.41Å; L392-L396 VanDerWaalsContact O-CG 3.31Å; L392-L396 WeakPolarHBondContact O-CG 3.19Å; L392-L396 PolarHBondContact O-N 3.37Å; T393-L396 PolarHBondContact O-N 3.34Å; L394-L396 VanDerWaalsContact C-N 3.35Å; L394-L396 PolarHBondContact O-N 3.4Å; L396-K399 PolarHBondContact O-N 3.01Å; L396-K400 WeakPolarHBondContact O-CB 3.23Å; L396-K400 PolarHBondContact O-N 3.5Å |
| 397 | A | 85.6 | Confident | 76.9 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 17% | 0.174 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | T393 L394 K399 K400 V401 L446 | T393-A397 WeakPolarHBondContact O-CB 3.38Å; T393-A397 PolarHBondContact O-N 3.3Å; L394-A397 PolarHBondContact O-N 2.93Å; A397-K399 PolarHBondContact O-N 3.3Å; A397-K400 PolarHBondContact O-N 2.85Å; A397-V401 WeakPolarHBondContact O-CG2 3.31Å; A397-V401 PolarHBondContact O-N 3.23Å; A397-L446 HydrophobicContact CB-CD2 3.61Å |
| 398 | C | 87.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 173.1 | -83.8 | 0 | 0 | 0 | 0 | 111.5 | L394 L395 K400 V401 L402 C419 F420 | L394-C398 PolarHBondContact O-N 3.07Å; L395-C398 PolarHBondContact O-N 3.1Å; C398-K400 PolarHBondContact O-N 3.44Å; C398-V401 PolarHBondContact O-N 2.04Å; C398-L402 VanDerWaalsContact O-CG 3.24Å; C398-L402 WeakPolarHBondContact O-CG 3.48Å; C398-L402 PolarHBondContact O-N 3.33Å; C398-L402 VanDerWaalsContact O-N 3.11Å; C398-C419 VanDerWaalsContact CA-SG 3.57Å; C398-C419 HydrophobicContact CB-CB 3.73Å; C398-C419 WeakPolarHBondContact CB-SG 2.89Å; C398-C419 WeakPolarHBondContact SG-CB 3.5Å; C398-C419 CovalentContact SG-SG 2.05Å; C398-C419 PolarHBondContact SG-SG 2.99Å; C398-F420 PolarHBondContact SG-N 2.98Å; C398-F420 VanDerWaalsContact SG-N 3.44Å |
| 399 | K | 84.2 | Confident | 75.9 | Confident | 98 Ų | 98 | 59.9 Ų | 59.9 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57 | -48.5 | 174.9 | -175.9 | -175 | 173.9 | -164.9 | 0 | 111.7 | L395 L396 A397 V401 L402 V403 V416 | L395-K399 PolarHBondContact O-N 3.06Å; L396-K399 PolarHBondContact O-N 3.01Å; A397-K399 PolarHBondContact O-N 3.3Å; K399-V401 PolarHBondContact O-N 2.86Å; K399-L402 PolarHBondContact O-N 2.99Å; K399-V403 WeakPolarHBondContact O-CG2 3.48Å; K399-V403 PolarHBondContact O-N 3.02Å; K399-V403 VanDerWaalsContact O-N 3.1Å; K399-V416 HydrophobicContact CB-CG2 4.19Å |
| 400 | K | 79.4 | Confident | 74.5 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -48 | -178.6 | -177.7 | 169.4 | -177.2 | 152.8 | 0 | 111.7 | E333 F334 L396 A397 C398 L402 V403 I404 | E333-K400 PolarHBondContact O-NZ 3.24Å; F334-K400 HydrophobicContact CE1-CG 4.48Å; L396-K400 WeakPolarHBondContact O-CB 3.23Å; L396-K400 PolarHBondContact O-N 3.5Å; A397-K400 PolarHBondContact O-N 2.85Å; C398-K400 PolarHBondContact O-N 3.44Å; K400-L402 PolarHBondContact O-N 2.95Å; K400-V403 PolarHBondContact O-N 3.07Å; K400-I404 HydrophobicContact CG-CD1 4.23Å; K400-I404 WeakPolarHBondContact O-CG1 3.17Å; K400-I404 PolarHBondContact O-N 3.33Å |
| 401 | V | 79.8 | Confident | 73.7 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57 | -49.4 | 177.5 | 163 | 0 | 0 | 0 | 0 | 111 | A397 C398 K399 V403 I404 W405 L446 N450 W568 | A397-V401 WeakPolarHBondContact O-CG2 3.31Å; A397-V401 PolarHBondContact O-N 3.23Å; C398-V401 PolarHBondContact O-N 2.04Å; K399-V401 PolarHBondContact O-N 2.86Å; V401-V403 VanDerWaalsContact C-N 3.31Å; V401-V403 PolarHBondContact O-N 3.43Å; V401-I404 WeakPolarHBondContact O-CB 3.16Å; V401-I404 PolarHBondContact O-N 3.04Å; V401-I404 VanDerWaalsContact O-N 3.16Å; V401-W405 VanDerWaalsContact O-CD1 3.3Å; V401-W405 PolarHBondContact O-N 3.2Å; V401-L446 HydrophobicContact CG2-CD1 4.34Å; V401-L446 HydrophobicContact CG2-CG 4.46Å; V401-N450 HydrophobicContact CG1-CB 3.94Å; V401-N450 WeakPolarHBondContact CG1-ND2 3.49Å; V401-N450 VanDerWaalsContact CG1-OD1 3.26Å; V401-N450 WeakPolarHBondContact CG1-OD1 3.39Å; V401-N450 HydrophobicContact CG2-CB 4.22Å; V401-W568 HydrophobicContact CG1-CH2 3.58Å; V401-W568 HydrophobicContact CG1-CZ3 3.82Å |
| 402 | L | 77 | Confident | 73.1 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70 | -27.1 | -174.5 | -60.7 | 172.1 | 0 | 0 | 0 | 113.6 | C398 K399 K400 I407 I412 N415 V416 C419 W568 L571 | C398-L402 VanDerWaalsContact O-CG 3.24Å; C398-L402 WeakPolarHBondContact O-CG 3.48Å; C398-L402 PolarHBondContact O-N 3.33Å; C398-L402 VanDerWaalsContact O-N 3.11Å; K399-L402 PolarHBondContact O-N 2.99Å; K400-L402 PolarHBondContact O-N 2.95Å; L402-I407 HydrophobicContact CB-CD1 3.97Å; L402-I407 HydrophobicContact CD2-CD1 3.28Å; L402-I407 HydrophobicContact CG-CD1 4.15Å; L402-I407 PolarHBondContact O-N 3.36Å; L402-I412 HydrophobicContact CB-CD1 3.56Å; L402-I412 HydrophobicContact CD1-CD1 4.41Å; L402-N415 HydrophobicContact CD1-CB 3.8Å; L402-N415 WeakPolarHBondContact CD1-O 3.43Å; L402-V416 HydrophobicContact CD1-CB 4.22Å; L402-V416 HydrophobicContact CD1-CG2 3.61Å; L402-V416 VanDerWaalsContact CD1-N 3.34Å; L402-C419 HydrophobicContact CD1-CB 4.47Å; L402-W568 HydrophobicContact CD2-CZ3 4.19Å; L402-L571 HydrophobicContact CD2-CD2 3.28Å; L402-L571 HydrophobicContact CD2-CG 4.12Å |
| 403 | V | 71.3 | Confident | 72.7 | Confident | 56 Ų | 56 | 75 Ų | 75 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.1 | -38.8 | 172.4 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | F334 K399 K400 V401 W405 K406 | F334-V403 HydrophobicContact CE1-CB 4.41Å; F334-V403 HydrophobicContact CE1-CG1 4.25Å; F334-V403 HydrophobicContact CE2-CG1 4.12Å; F334-V403 HydrophobicContact CZ-CB 3.92Å; F334-V403 HydrophobicContact CZ-CG1 3.39Å; K399-V403 WeakPolarHBondContact O-CG2 3.48Å; K399-V403 PolarHBondContact O-N 3.02Å; K399-V403 VanDerWaalsContact O-N 3.1Å; K400-V403 PolarHBondContact O-N 3.07Å; V401-V403 VanDerWaalsContact C-N 3.31Å; V401-V403 PolarHBondContact O-N 3.43Å; V403-W405 PolarHBondContact O-N 3.25Å; V403-K406 PolarHBondContact O-N 2.77Å |
| 404 | I | 66.6 | Low | 72.5 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 177.2 | -67.8 | 165.6 | 0 | 0 | 0 | 110.9 | P247 F334 K400 V401 K406 | P247-I404 HydrophobicContact CB-CG2 4.07Å; F334-I404 HydrophobicContact CD1-CD1 4.48Å; F334-I404 HydrophobicContact CD1-CG1 3.87Å; F334-I404 HydrophobicContact CE1-CD1 4.48Å; F334-I404 HydrophobicContact CE1-CG1 3.65Å; K400-I404 HydrophobicContact CG-CD1 4.23Å; K400-I404 WeakPolarHBondContact O-CG1 3.17Å; K400-I404 PolarHBondContact O-N 3.33Å; V401-I404 WeakPolarHBondContact O-CB 3.16Å; V401-I404 PolarHBondContact O-N 3.04Å; V401-I404 VanDerWaalsContact O-N 3.16Å; I404-K406 PolarHBondContact O-N 2.65Å |
| 405 | W | 63.6 | Low | 72.2 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 5.3 | 178.6 | -76.5 | 88.9 | 0 | 0 | 0 | 114.5 | L245 I354 V401 V403 I407 N450 P455 F572 | L245-W405 VanDerWaalsContact O-CH2 3.3Å; L245-W405 WeakPolarHBondContact O-CH2 3.27Å; L245-W405 WeakPolarHBondContact O-CZ2 3.46Å; I354-W405 HydrophobicContact CD1-CZ3 4.46Å; V401-W405 VanDerWaalsContact O-CD1 3.3Å; V401-W405 PolarHBondContact O-N 3.2Å; V403-W405 PolarHBondContact O-N 3.25Å; W405-I407 HydrophobicContact CB-CD1 4.47Å; W405-I407 HydrophobicContact CB-CG1 3.91Å; W405-I407 PolarHBondContact O-N 3.11Å; W405-N450 PolarHBondContact NE1-ND2 2.93Å; W405-N450 PolarHBondContact NE1-OD1 2.84Å; W405-P455 HydrophobicContact CZ2-CG 4.49Å; W405-F572 HydrophobicContact CB-CD1 4.11Å; W405-F572 HydrophobicContact CB-CE1 3.46Å; W405-F572 VanDerWaalsContact CB-CE1 3.46Å; W405-F572 HydrophobicContact CB-CZ 4.3Å; W405-F572 AromaticContact CD1-CE1 3.71Å; W405-F572 AromaticContact CD1-CZ 3.66Å; W405-F572 HydrophobicContact CD2-CD1 4.16Å; W405-F572 AromaticContact CD2-CE1 3.5Å; W405-F572 HydrophobicContact CD2-CE1 3.5Å; W405-F572 VanDerWaalsContact CD2-CE1 3.5Å; W405-F572 HydrophobicContact CD2-CE2 4.29Å; W405-F572 AromaticContact CD2-CZ 3.59Å; W405-F572 HydrophobicContact CD2-CZ 3.59Å; W405-F572 AromaticContact CE2-CZ 3.69Å; W405-F572 HydrophobicContact CE3-CD1 4.19Å; W405-F572 AromaticContact CE3-CE1 3.99Å; W405-F572 HydrophobicContact CE3-CE1 3.99Å; W405-F572 HydrophobicContact CE3-CZ 4.23Å; W405-F572 HydrophobicContact CG-CD1 4.14Å; W405-F572 AromaticContact CG-CE1 3.24Å; W405-F572 HydrophobicContact CG-CE1 3.24Å; W405-F572 AromaticContact CG-CZ 3.59Å; W405-F572 HydrophobicContact CG-CZ 3.59Å; W405-F572 HydrophobicContact CZ2-CZ 4.39Å; W405-F572 AromaticContact NE1-CZ 3.75Å |
| 406 | K | 60.4 | Low | 72 | Confident | 163 Ų | 163 | 77.6 Ų | 77.6 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 34.9 | -178.3 | -61.5 | -175.2 | 177.1 | -178.5 | 0 | 113.2 | V403 I404 R408 | V403-K406 PolarHBondContact O-N 2.77Å; I404-K406 PolarHBondContact O-N 2.65Å; K406-R408 PolarHBondContact O-N 3.03Å; K406-R408 VanDerWaalsContact O-N 3.12Å |
| 407 | I | 53.2 | Low | 72.2 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 15% | 0.149 | 35% | 0.353 | C | S | . | . | trans | -57.2 | 124.2 | -174.9 | -62.8 | -176.3 | 0 | 0 | 0 | 109.1 | L402 W405 F409 N415 F572 | L402-I407 HydrophobicContact CB-CD1 3.97Å; L402-I407 HydrophobicContact CD2-CD1 3.28Å; L402-I407 HydrophobicContact CG-CD1 4.15Å; L402-I407 PolarHBondContact O-N 3.36Å; W405-I407 HydrophobicContact CB-CD1 4.47Å; W405-I407 HydrophobicContact CB-CG1 3.91Å; W405-I407 PolarHBondContact O-N 3.11Å; I407-F409 PolarHBondContact O-N 3.02Å; I407-N415 WeakPolarHBondContact CG2-ND2 3.33Å; I407-F572 HydrophobicContact CD1-CD1 3.7Å; I407-F572 HydrophobicContact CD1-CE1 3.66Å; I407-F572 HydrophobicContact CG1-CD1 4Å; I407-F572 HydrophobicContact CG1-CE1 4.13Å | ||
| 408 | R | 46.1 | Very low | 72.2 | Confident | 199 Ų | 199 | 77.3 Ų | 77.3 | 75% | 0.751 | 36% | 0.358 | S | S | * | . | trans | -44.6 | 132.3 | -174.1 | -75.3 | -160 | -94.6 | -169.1 | -5.2 | 111 | K406 G410 | K406-R408 PolarHBondContact O-N 3.03Å; K406-R408 VanDerWaalsContact O-N 3.12Å; R408-G410 PolarHBondContact O-N 2.92Å | ||
| 409 | F | 47.9 | Very low | 72.3 | Confident | 208 Ų | 208 | 77.3 Ų | 77.3 | 91% | 0.912 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -8.5 | -173 | -74.2 | -84.6 | 0 | 0 | 0 | 116.7 | I407 | I407-F409 PolarHBondContact O-N 3.02Š|
| 410 | G | 53.4 | Low | 72.6 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -25.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116 | R408 | R408-G410 PolarHBondContact O-N 2.92Š|
| 411 | R | 69.9 | Low | 73.1 | Confident | 188 Ų | 188 | 70.8 Ų | 70.8 | 71% | 0.709 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -136.8 | 13.4 | -173 | -65 | -171.3 | -176.5 | 179 | 2.5 | 116 | R413 Q414 N415 | R411-R413 VanDerWaalsContact C-N 3.26Å; R411-R413 PolarHBondContact O-N 2.9Å; R411-R413 VanDerWaalsContact O-N 3.1Å; R411-Q414 PolarHBondContact O-N 3.38Å; R411-N415 PolarHBondContact O-N 3.17Å; R411-N415 PolarHBondContact O-OD1 3.11Å |
| 412 | I | 73.2 | Confident | 73.6 | Confident | 55 Ų | 55 | 71.8 Ų | 71.8 | 28% | 0.282 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -52.3 | -41.9 | -174.7 | -169.2 | 61.2 | 0 | 0 | 0 | 113.2 | L402 Q414 N415 V416 | L402-I412 HydrophobicContact CB-CD1 3.56Å; L402-I412 HydrophobicContact CD1-CD1 4.41Å; I412-Q414 PolarHBondContact O-N 2.89Å; I412-N415 PolarHBondContact O-N 3.5Å; I412-V416 HydrophobicContact CD1-CG2 4.43Å; I412-V416 HydrophobicContact CG1-CG2 4.47Å; I412-V416 WeakPolarHBondContact O-CB 3.47Å; I412-V416 WeakPolarHBondContact O-CG2 3.37Å; I412-V416 PolarHBondContact O-N 2.92Å |
| 413 | R | 78.6 | Confident | 74.3 | Confident | 132 Ų | 132 | 71.8 Ų | 71.8 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 179.5 | -171.5 | 177.4 | -178.6 | 119.2 | 3.3 | 112.2 | R411 K417 F613 E617 | R411-R413 VanDerWaalsContact C-N 3.26Å; R411-R413 PolarHBondContact O-N 2.9Å; R411-R413 VanDerWaalsContact O-N 3.1Å; R413-K417 WeakPolarHBondContact O-CG 3.32Å; R413-K417 PolarHBondContact O-N 2.97Å; R413-F613 HydrophobicContact CG-CE1 4.17Å; R413-E617 IonicContact CZ-OE1 3.18Å; R413-E617 IonicContact NH1-OE1 2.75Å; R413-E617 PolarHBondContact NH1-OE1 3.12Å; R413-E617 IonicContact NH2-OE1 2.72Å; R413-E617 PolarHBondContact NH2-OE1 2.78Å |
| 414 | Q | 82.1 | Confident | 75.2 | Confident | 89 Ų | 89 | 69.1 Ų | 69.1 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.1 | -43.5 | 178.6 | -171.5 | 58.3 | 40.7 | 0 | 0 | 110.7 | R411 I412 V416 K417 D418 | R411-Q414 PolarHBondContact O-N 3.38Å; I412-Q414 PolarHBondContact O-N 2.89Å; Q414-V416 VanDerWaalsContact C-N 3.27Å; Q414-V416 PolarHBondContact O-N 3.48Å; Q414-K417 CarbonylContact O-C 3.58Å; Q414-K417 WeakPolarHBondContact O-CA 2.97Å; Q414-K417 WeakPolarHBondContact O-CB 3.43Å; Q414-K417 PolarHBondContact O-N 2.95Å; Q414-D418 PolarHBondContact NE2-OD1 3.32Å; Q414-D418 VanDerWaalsContact O-CG 3.3Å; Q414-D418 PolarHBondContact O-N 3.36Å |
| 415 | N | 82.8 | Confident | 76.2 | Confident | 16 Ų | 16 | 70.5 Ų | 70.5 | 9% | 0.086 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 178.3 | -69.8 | 19.5 | 0 | 0 | 0 | 112 | L402 I407 R411 I412 D418 C419 L571 | L402-N415 HydrophobicContact CD1-CB 3.8Å; L402-N415 WeakPolarHBondContact CD1-O 3.43Å; I407-N415 WeakPolarHBondContact CG2-ND2 3.33Å; R411-N415 PolarHBondContact O-N 3.17Å; R411-N415 PolarHBondContact O-OD1 3.11Å; I412-N415 PolarHBondContact O-N 3.5Å; N415-D418 PolarHBondContact O-N 3.43Å; N415-C419 VanDerWaalsContact O-CB 3.29Å; N415-C419 WeakPolarHBondContact O-CB 3.36Å; N415-C419 PolarHBondContact O-N 2.85Å; N415-L571 HydrophobicContact CB-CD1 3.66Å; N415-L571 HydrophobicContact CB-CG 4.34Å; N415-L571 PolarHBondContact ND2-O 3.48Å |
| 416 | V | 85.2 | Confident | 77.3 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | L395 K399 L402 I412 Q414 F420 F613 | L395-V416 HydrophobicContact CD1-CG1 3.51Å; L395-V416 HydrophobicContact CG-CG1 4.32Å; K399-V416 HydrophobicContact CB-CG2 4.19Å; L402-V416 HydrophobicContact CD1-CB 4.22Å; L402-V416 HydrophobicContact CD1-CG2 3.61Å; L402-V416 VanDerWaalsContact CD1-N 3.34Å; I412-V416 HydrophobicContact CD1-CG2 4.43Å; I412-V416 HydrophobicContact CG1-CG2 4.47Å; I412-V416 WeakPolarHBondContact O-CB 3.47Å; I412-V416 WeakPolarHBondContact O-CG2 3.37Å; I412-V416 PolarHBondContact O-N 2.92Å; Q414-V416 VanDerWaalsContact C-N 3.27Å; Q414-V416 PolarHBondContact O-N 3.48Å; V416-F420 WeakPolarHBondContact O-CB 3.28Å; V416-F420 PolarHBondContact O-N 3.39Å; V416-F613 HydrophobicContact CG1-CZ 4.02Å |
| 417 | K | 87.2 | Confident | 78.6 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 176.7 | -71.3 | -179.2 | 173.4 | -165.7 | 0 | 111.9 | R413 Q414 F420 K421 L609 F613 | R413-K417 WeakPolarHBondContact O-CG 3.32Å; R413-K417 PolarHBondContact O-N 2.97Å; Q414-K417 CarbonylContact O-C 3.58Å; Q414-K417 WeakPolarHBondContact O-CA 2.97Å; Q414-K417 WeakPolarHBondContact O-CB 3.43Å; Q414-K417 PolarHBondContact O-N 2.95Å; K417-F420 PolarHBondContact O-N 2.97Å; K417-K421 WeakPolarHBondContact O-CG 3.3Å; K417-K421 PolarHBondContact O-N 3.27Å; K417-L609 HydrophobicContact CB-CD2 4.02Å; K417-L609 HydrophobicContact CD-CD2 4.41Å; K417-L609 HydrophobicContact CG-CD2 3.98Å; K417-F613 HydrophobicContact CD-CE2 4.42Å; K417-F613 HydrophobicContact CD-CZ 4.42Å; K417-F613 HydrophobicContact CG-CD2 4.44Å; K417-F613 HydrophobicContact CG-CE2 3.49Å; K417-F613 VanDerWaalsContact CG-CE2 3.49Å; K417-F613 HydrophobicContact CG-CZ 3.54Å |
| 418 | D | 86.9 | Confident | 80 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | -179.3 | -61.9 | -19.2 | 0 | 0 | 0 | 110.7 | Q414 N415 F420 K421 E422 F567 | Q414-D418 PolarHBondContact NE2-OD1 3.32Å; Q414-D418 VanDerWaalsContact O-CG 3.3Å; Q414-D418 PolarHBondContact O-N 3.36Å; N415-D418 PolarHBondContact O-N 3.43Å; D418-F420 PolarHBondContact O-N 3.2Å; D418-K421 PolarHBondContact O-N 3.49Å; D418-E422 WeakPolarHBondContact O-CB 3.34Å; D418-E422 PolarHBondContact O-N 3.49Å; D418-F567 HydrophobicContact CB-CE2 4.43Å |
| 419 | C | 89.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -48.8 | 170 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | C398 L402 N415 K421 E422 Y423 F567 | C398-C419 VanDerWaalsContact CA-SG 3.57Å; C398-C419 HydrophobicContact CB-CB 3.73Å; C398-C419 WeakPolarHBondContact CB-SG 2.89Å; C398-C419 WeakPolarHBondContact SG-CB 3.5Å; C398-C419 CovalentContact SG-SG 2.05Å; C398-C419 PolarHBondContact SG-SG 2.99Å; L402-C419 HydrophobicContact CD1-CB 4.47Å; N415-C419 VanDerWaalsContact O-CB 3.29Å; N415-C419 WeakPolarHBondContact O-CB 3.36Å; N415-C419 PolarHBondContact O-N 2.85Å; C419-K421 PolarHBondContact O-N 3.29Å; C419-E422 PolarHBondContact O-N 3.45Å; C419-Y423 WeakPolarHBondContact O-CD2 3.5Å; C419-Y423 PolarHBondContact O-N 3.46Å; C419-Y423 VanDerWaalsContact O-N 3.1Å; C419-F567 HydrophobicContact CB-CE1 4.4Å; C419-F567 HydrophobicContact CB-CZ 4.03Å |
| 420 | F | 90.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 179 | -178.9 | -84.1 | 0 | 0 | 0 | 111.8 | P391 L394 L395 C398 V416 K417 D418 E422 Y423 A424 W439 I605 I608 L609 I612 | P391-F420 HydrophobicContact CB-CE2 4.29Å; P391-F420 HydrophobicContact CB-CZ 4.18Å; P391-F420 WeakPolarHBondContact O-CE2 3.14Å; L394-F420 HydrophobicContact CB-CD2 4.31Å; L394-F420 HydrophobicContact CB-CE2 4.19Å; L394-F420 HydrophobicContact CD2-CD2 4Å; L394-F420 HydrophobicContact CD2-CE2 4Å; L394-F420 HydrophobicContact CG-CD2 3.98Å; L394-F420 HydrophobicContact CG-CE2 4.21Å; L395-F420 HydrophobicContact CB-CD2 4Å; L395-F420 HydrophobicContact CB-CE2 4.38Å; L395-F420 HydrophobicContact CD1-CB 4.2Å; L395-F420 HydrophobicContact CD1-CD2 4.12Å; L395-F420 HydrophobicContact CD1-CG 4.37Å; C398-F420 PolarHBondContact SG-N 2.98Å; C398-F420 VanDerWaalsContact SG-N 3.44Å; V416-F420 WeakPolarHBondContact O-CB 3.28Å; V416-F420 PolarHBondContact O-N 3.39Å; K417-F420 PolarHBondContact O-N 2.97Å; D418-F420 PolarHBondContact O-N 3.2Å; F420-E422 PolarHBondContact O-N 3.28Å; F420-Y423 PolarHBondContact O-N 3.35Å; F420-A424 HydrophobicContact CD1-CB 4.18Å; F420-A424 HydrophobicContact CE1-CB 3.92Å; F420-A424 HydrophobicContact CZ-CB 4.4Å; F420-A424 WeakPolarHBondContact O-CB 3.35Å; F420-A424 PolarHBondContact O-N 2.73Å; F420-W439 HydrophobicContact CZ-CH2 4.35Å; F420-W439 HydrophobicContact CZ-CZ3 4.23Å; F420-I605 HydrophobicContact CD1-CG2 4.38Å; F420-I605 HydrophobicContact CE1-CG2 4.21Å; F420-I608 HydrophobicContact CE1-CG2 4.27Å; F420-I608 HydrophobicContact CZ-CG2 3.88Å; F420-L609 HydrophobicContact CB-CD1 3.9Å; F420-L609 HydrophobicContact CD1-CB 4.24Å; F420-L609 HydrophobicContact CD1-CD1 3.43Å; F420-L609 VanDerWaalsContact CD1-CD1 3.43Å; F420-L609 HydrophobicContact CD1-CG 4.28Å; F420-L609 HydrophobicContact CD2-CD1 4.3Å; F420-L609 HydrophobicContact CE1-CB 4.16Å; F420-L609 HydrophobicContact CE1-CD1 3.96Å; F420-L609 HydrophobicContact CG-CD1 3.59Å; F420-I612 HydrophobicContact CE2-CD1 4.11Å; F420-I612 HydrophobicContact CZ-CD1 3.84Å |
| 421 | K | 90.6 | Very high | 84.7 | Confident | 48 Ų | 48 | 48 Ų | 48 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 179.8 | -74.9 | -175.7 | 171.7 | -162 | 0 | 111.5 | K417 D418 C419 Y423 A424 L425 E602 I605 L609 | K417-K421 WeakPolarHBondContact O-CG 3.3Å; K417-K421 PolarHBondContact O-N 3.27Å; D418-K421 PolarHBondContact O-N 3.49Å; C419-K421 PolarHBondContact O-N 3.29Å; K421-Y423 PolarHBondContact O-N 3.21Å; K421-A424 PolarHBondContact O-N 2.83Å; K421-L425 WeakPolarHBondContact O-CG 3.46Å; K421-L425 PolarHBondContact O-N 3.42Å; K421-E602 IonicContact NZ-OE1 3.57Å; K421-I605 HydrophobicContact CB-CG2 4.42Å; K421-I605 HydrophobicContact CG-CG2 4.05Å; K421-L609 HydrophobicContact CG-CD2 4.27Å |
| 422 | E | 89.5 | Confident | 85 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 178.8 | -179.2 | 60.6 | -147 | 0 | 0 | 111.5 | D418 C419 F420 L425 K426 F567 | D418-E422 WeakPolarHBondContact O-CB 3.34Å; D418-E422 PolarHBondContact O-N 3.49Å; C419-E422 PolarHBondContact O-N 3.45Å; F420-E422 PolarHBondContact O-N 3.28Å; E422-L425 PolarHBondContact O-N 2.93Å; E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 3.31Å; E422-K426 VanDerWaalsContact OE1-CE 3.24Å; E422-K426 WeakPolarHBondContact OE1-CE 3.25Å; E422-F567 HydrophobicContact CB-CD2 4.06Å; E422-F567 HydrophobicContact CB-CE2 3.99Å; E422-F567 HydrophobicContact CB-CZ 4.35Å; E422-F567 HydrophobicContact CG-CB 4.33Å; E422-F567 HydrophobicContact CG-CD1 4.31Å; E422-F567 HydrophobicContact CG-CD2 3.85Å; E422-F567 HydrophobicContact CG-CE2 4.26Å; E422-F567 HydrophobicContact CG-CG 3.89Å |
| 423 | Y | 91 | Very high | 85.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -79.5 | -23 | -177.7 | -75.1 | -86.7 | 0 | 0 | 0 | 113.9 | C419 F420 K421 K426 A427 A442 Q445 L446 D449 F567 W568 | C419-Y423 WeakPolarHBondContact O-CD2 3.5Å; C419-Y423 PolarHBondContact O-N 3.46Å; C419-Y423 VanDerWaalsContact O-N 3.1Å; F420-Y423 PolarHBondContact O-N 3.35Å; K421-Y423 PolarHBondContact O-N 3.21Å; Y423-K426 HydrophobicContact CD1-CD 3.9Å; Y423-K426 HydrophobicContact CE1-CD 4Å; Y423-K426 PolarHBondContact O-N 3.46Å; Y423-A427 WeakPolarHBondContact O-CB 3.49Å; Y423-A427 PolarHBondContact O-N 2.89Å; Y423-A442 WeakPolarHBondContact CD1-O 3.24Å; Y423-A442 VanDerWaalsContact O-CB 3.27Å; Y423-A442 WeakPolarHBondContact O-CB 3.41Å; Y423-Q445 HydrophobicContact CD1-CB 4.41Å; Y423-Q445 HydrophobicContact CE1-CB 4.21Å; Y423-Q445 HydrophobicContact CE1-CG 4.08Å; Y423-L446 HydrophobicContact CD1-CB 3.71Å; Y423-L446 HydrophobicContact CD2-CB 4.39Å; Y423-L446 HydrophobicContact CD2-CD1 4Å; Y423-L446 HydrophobicContact CE1-CB 3.63Å; Y423-L446 HydrophobicContact CE1-CD1 4.31Å; Y423-L446 VanDerWaalsContact CE1-N 3.27Å; Y423-L446 HydrophobicContact CE2-CB 4.33Å; Y423-L446 HydrophobicContact CE2-CD1 3.55Å; Y423-L446 HydrophobicContact CE2-CG 4.49Å; Y423-L446 HydrophobicContact CG-CB 4.11Å; Y423-D449 WeakPolarHBondContact OH-CB 3.4Å; Y423-D449 PolarHBondContact OH-OD2 3.05Å; Y423-F567 HydrophobicContact CE2-CE1 4.37Å; Y423-W568 AromaticContact CE2-CZ2 3.97Å; Y423-W568 HydrophobicContact CE2-CZ2 3.97Å; Y423-W568 VanDerWaalsContact OH-CZ2 3.28Å; Y423-W568 WeakPolarHBondContact OH-CZ2 3.5Å; Y423-W568 PolarHBondContact OH-NE1 2.75Å |
| 424 | A | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -38.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F420 K421 K426 A427 R428 F437 W439 I605 | F420-A424 HydrophobicContact CD1-CB 4.18Å; F420-A424 HydrophobicContact CE1-CB 3.92Å; F420-A424 HydrophobicContact CZ-CB 4.4Å; F420-A424 WeakPolarHBondContact O-CB 3.35Å; F420-A424 PolarHBondContact O-N 2.73Å; K421-A424 PolarHBondContact O-N 2.83Å; A424-K426 VanDerWaalsContact C-N 3.34Å; A424-A427 WeakPolarHBondContact O-CB 3.41Å; A424-A427 PolarHBondContact O-N 2.84Å; A424-R428 PolarHBondContact O-N 3.49Å; A424-F437 WeakPolarHBondContact O-CD1 3.4Å; A424-W439 HydrophobicContact CB-CH2 4.2Å; A424-W439 HydrophobicContact CB-CZ3 3.86Å; A424-I605 HydrophobicContact CB-CD1 4.08Å; A424-I605 HydrophobicContact CB-CG1 4.25Å; A424-I605 HydrophobicContact CB-CG2 3.87Å |
| 425 | L | 87.7 | Confident | 84.3 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 42% | 0.419 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 170.7 | -71.4 | 167.4 | 0 | 0 | 0 | 110.8 | K421 E422 A427 R428 M429 I605 | K421-L425 WeakPolarHBondContact O-CG 3.46Å; K421-L425 PolarHBondContact O-N 3.42Å; E422-L425 PolarHBondContact O-N 2.93Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.23Å; L425-R428 WeakPolarHBondContact O-CB 3.5Å; L425-R428 PolarHBondContact O-N 2.92Å; L425-M429 WeakPolarHBondContact O-CG 3.24Å; L425-M429 PolarHBondContact O-N 2.89Å; L425-I605 HydrophobicContact CB-CD1 4.43Å; L425-I605 HydrophobicContact CD2-CD1 3.39Å; L425-I605 HydrophobicContact CG-CD1 3.56Å |
| 426 | K | 88.1 | Confident | 84.2 | Confident | 17 Ų | 17 | 48 Ų | 48 | 7% | 0.074 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 174.2 | -63.3 | -177.7 | -172.1 | -164.6 | 0 | 112.7 | E422 Y423 A424 R428 M429 S430 Q445 D449 | E422-K426 WeakPolarHBondContact O-CG 3.39Å; E422-K426 PolarHBondContact O-N 3.31Å; E422-K426 VanDerWaalsContact OE1-CE 3.24Å; E422-K426 WeakPolarHBondContact OE1-CE 3.25Å; Y423-K426 HydrophobicContact CD1-CD 3.9Å; Y423-K426 HydrophobicContact CE1-CD 4Å; Y423-K426 PolarHBondContact O-N 3.46Å; A424-K426 VanDerWaalsContact C-N 3.34Å; K426-R428 VanDerWaalsContact C-N 3.33Å; K426-R428 PolarHBondContact O-N 2.99Å; K426-M429 HydrophobicContact CG-CE 4.19Å; K426-M429 PolarHBondContact O-N 3.04Å; K426-S430 WeakPolarHBondContact O-CB 3.44Å; K426-S430 PolarHBondContact O-N 2.91Å; K426-S430 PolarHBondContact O-OG 3.5Å; K426-Q445 HydrophobicContact CD-CG 4.25Å; K426-D449 IonicContact NZ-OD2 2.9Å; K426-D449 PolarHBondContact NZ-OD2 2.79Å |
| 427 | A | 87.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y423 A424 L425 S430 S431 F437 N438 W439 A442 | Y423-A427 WeakPolarHBondContact O-CB 3.49Å; Y423-A427 PolarHBondContact O-N 2.89Å; A424-A427 WeakPolarHBondContact O-CB 3.41Å; A424-A427 PolarHBondContact O-N 2.84Å; L425-A427 VanDerWaalsContact C-N 3.33Å; L425-A427 PolarHBondContact O-N 3.23Å; A427-S430 PolarHBondContact O-OG 3.35Å; A427-S431 PolarHBondContact O-N 3.18Å; A427-F437 HydrophobicContact CB-CB 4.16Å; A427-F437 HydrophobicContact CB-CD1 4.05Å; A427-N438 PolarHBondContact O-N 3.4Å; A427-W439 HydrophobicContact CB-CD2 4.49Å; A427-W439 HydrophobicContact CB-CE3 3.89Å; A427-W439 HydrophobicContact CB-CZ3 4.1Å; A427-A442 HydrophobicContact CB-CB 3.58Å |
| 428 | R | 83.1 | Confident | 84.2 | Confident | 36 Ų | 36 | 50 Ų | 50 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 176.9 | -164.2 | 82.8 | 171 | -167.2 | -5.6 | 111.2 | A424 L425 K426 S430 S431 P434 D435 F437 | A424-R428 PolarHBondContact O-N 3.49Å; L425-R428 WeakPolarHBondContact O-CB 3.5Å; L425-R428 PolarHBondContact O-N 2.92Å; K426-R428 VanDerWaalsContact C-N 3.33Å; K426-R428 PolarHBondContact O-N 2.99Å; R428-S430 VanDerWaalsContact C-N 3.27Å; R428-S430 PolarHBondContact O-N 3.29Å; R428-S431 VanDerWaalsContact O-CB 3.29Å; R428-S431 WeakPolarHBondContact O-CB 3.49Å; R428-S431 PolarHBondContact O-N 3.12Å; R428-P434 PolarHBondContact NE-O 3.35Å; R428-P434 PolarHBondContact NH2-O 2.9Å; R428-D435 PolarHBondContact NH1-O 3.2Å; R428-D435 IonicContact NH2-OD1 3.23Å; R428-D435 PolarHBondContact NH2-OD1 3.47Å; R428-F437 HydrophobicContact CB-CD1 3.93Å; R428-F437 HydrophobicContact CB-CE1 3.9Å; R428-F437 HydrophobicContact CG-CE1 4.33Å |
| 429 | M | 83.5 | Confident | 84.2 | Confident | 117 Ų | 117 | 49 Ų | 49 | 58% | 0.576 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65.9 | -26.6 | -179.2 | -69.1 | -173.3 | -68 | 0 | 0 | 113.9 | L425 K426 S431 | L425-M429 WeakPolarHBondContact O-CG 3.24Å; L425-M429 PolarHBondContact O-N 2.89Å; K426-M429 HydrophobicContact CG-CE 4.19Å; K426-M429 PolarHBondContact O-N 3.04Å; M429-S431 VanDerWaalsContact C-N 3.33Å |
| 430 | S | 82.3 | Confident | 84.2 | Confident | 56 Ų | 56 | 51 Ų | 51 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 3.3 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | K426 A427 R428 N438 | K426-S430 WeakPolarHBondContact O-CB 3.44Å; K426-S430 PolarHBondContact O-N 2.91Å; K426-S430 PolarHBondContact O-OG 3.5Å; A427-S430 PolarHBondContact O-OG 3.35Å; R428-S430 VanDerWaalsContact C-N 3.27Å; R428-S430 PolarHBondContact O-N 3.29Å; S430-N438 PolarHBondContact O-ND2 2.88Å |
| 431 | S | 79.4 | Confident | 83.9 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -85.2 | 147.7 | 176.6 | 176 | 0 | 0 | 0 | 0 | 111.6 | A427 R428 M429 S433 M436 | A427-S431 PolarHBondContact O-N 3.18Å; R428-S431 VanDerWaalsContact O-CB 3.29Å; R428-S431 WeakPolarHBondContact O-CB 3.49Å; R428-S431 PolarHBondContact O-N 3.12Å; M429-S431 VanDerWaalsContact C-N 3.33Å; S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 WeakPolarHBondContact CB-O 3.33Å; S431-S433 PolarHBondContact O-N 3.14Å; S431-S433 PolarHBondContact OG-N 3.21Å; S431-S433 PolarHBondContact OG-O 3.49Å; S431-M436 WeakPolarHBondContact CB-O 3.49Å; S431-M436 VanDerWaalsContact OG-CB 3.28Å; S431-M436 WeakPolarHBondContact OG-CB 3.42Å; S431-M436 PolarHBondContact OG-O 3.33Å; S431-M436 VanDerWaalsContact OG-O 3.13Å |
| 432 | S | 77.3 | Confident | 83.8 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 83% | 0.832 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -73.5 | -18.3 | 173.9 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 433 | S | 76.1 | Confident | 83.8 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -121.6 | 136.5 | 178 | 174.9 | 0 | 0 | 0 | 0 | 110 | S431 D435 M436 | S431-S433 VanDerWaalsContact C-N 3.26Å; S431-S433 WeakPolarHBondContact CB-O 3.33Å; S431-S433 PolarHBondContact O-N 3.14Å; S431-S433 PolarHBondContact OG-N 3.21Å; S431-S433 PolarHBondContact OG-O 3.49Å; S433-D435 PolarHBondContact O-N 2.82Å; S433-D435 PolarHBondContact OG-N 2.79Å; S433-M436 PolarHBondContact O-N 2.97Å; S433-M436 VanDerWaalsContact O-N 3.13Å |
| 434 | P | 69.6 | Low | 83.6 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12 | 179.3 | 25.5 | -33.7 | 0 | 0 | 0 | 113.5 | R428 | R428-P434 PolarHBondContact NE-O 3.35Å; R428-P434 PolarHBondContact NH2-O 2.9Å |
| 435 | D | 72.1 | Confident | 83.6 | Confident | 122 Ų | 122 | 53.8 Ų | 53.8 | 65% | 0.652 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -1.9 | 178.2 | -69.9 | -37.2 | 0 | 0 | 0 | 115.5 | R428 S433 | R428-D435 PolarHBondContact NH1-O 3.2Å; R428-D435 IonicContact NH2-OD1 3.23Å; R428-D435 PolarHBondContact NH2-OD1 3.47Å; S433-D435 PolarHBondContact O-N 2.82Å; S433-D435 PolarHBondContact OG-N 2.79Å |
| 436 | M | 80.9 | Confident | 83.6 | Confident | 105 Ų | 105 | 50 Ų | 50 | 52% | 0.517 | 29% | 0.286 | S | S | . | . | trans | -111.6 | 155.6 | -178.7 | -65.1 | -161.7 | -52 | 0 | 0 | 112 | S431 S433 | S431-M436 WeakPolarHBondContact CB-O 3.49Å; S431-M436 VanDerWaalsContact OG-CB 3.28Å; S431-M436 WeakPolarHBondContact OG-CB 3.42Å; S431-M436 PolarHBondContact OG-O 3.33Å; S431-M436 VanDerWaalsContact OG-O 3.13Å; S433-M436 PolarHBondContact O-N 2.97Å; S433-M436 VanDerWaalsContact O-N 3.13Å | ||
| 437 | F | 84.1 | Confident | 83.6 | Confident | 39 Ų | 39 | 54 Ų | 54 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | trans | -115 | 126.9 | 174.6 | -68.4 | -95.2 | 0 | 0 | 0 | 109.6 | A424 A427 R428 W439 I605 I608 | A424-F437 WeakPolarHBondContact O-CD1 3.4Å; A427-F437 HydrophobicContact CB-CB 4.16Å; A427-F437 HydrophobicContact CB-CD1 4.05Å; R428-F437 HydrophobicContact CB-CD1 3.93Å; R428-F437 HydrophobicContact CB-CE1 3.9Å; R428-F437 HydrophobicContact CG-CE1 4.33Å; F437-W439 VanDerWaalsContact C-N 3.34Å; F437-W439 HydrophobicContact CB-CD2 3.78Å; F437-W439 HydrophobicContact CB-CE3 4.31Å; F437-W439 HydrophobicContact CB-CG 4.32Å; F437-W439 HydrophobicContact CB-CH2 3.89Å; F437-W439 HydrophobicContact CB-CZ2 3.29Å; F437-W439 HydrophobicContact CB-CZ3 4.36Å; F437-W439 AromaticContact CD1-CH2 3.43Å; F437-W439 HydrophobicContact CD1-CH2 3.43Å; F437-W439 VanDerWaalsContact CD1-CH2 3.43Å; F437-W439 AromaticContact CD1-CZ2 3.65Å; F437-W439 HydrophobicContact CD1-CZ2 3.65Å; F437-W439 HydrophobicContact CD1-CZ3 4.03Å; F437-W439 HydrophobicContact CD2-CH2 4.19Å; F437-W439 AromaticContact CD2-CZ2 3.61Å; F437-W439 HydrophobicContact CD2-CZ2 3.61Å; F437-W439 AromaticContact CE1-CH2 3.89Å; F437-W439 HydrophobicContact CE1-CH2 3.89Å; F437-W439 HydrophobicContact CE1-CZ2 4.3Å; F437-W439 HydrophobicContact CE2-CZ2 4.27Å; F437-W439 AromaticContact CG-CE2 3.8Å; F437-W439 AromaticContact CG-CH2 3.59Å; F437-W439 HydrophobicContact CG-CH2 3.59Å; F437-W439 AromaticContact CG-CZ2 3.25Å; F437-W439 HydrophobicContact CG-CZ2 3.25Å; F437-W439 HydrophobicContact CG-CZ3 4.38Å; F437-W439 HydrophobicContact CZ-CH2 4.44Å; F437-W439 PolarHBondContact O-N 3.03Å; F437-I605 HydrophobicContact CE1-CG1 4.18Å; F437-I605 HydrophobicContact CZ-CG1 4.28Å; F437-I608 HydrophobicContact CD2-CD1 4.38Å; F437-I608 HydrophobicContact CE2-CD1 3.6Å; F437-I608 HydrophobicContact CZ-CD1 3.75Å | ||
| 438 | N | 88.7 | Confident | 83.8 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | trans | -88.1 | 75.4 | 170.8 | -168.7 | -13.2 | 0 | 0 | 0 | 110.2 | A427 S430 S440 A441 A442 | A427-N438 PolarHBondContact O-N 3.4Å; S430-N438 PolarHBondContact O-ND2 2.88Å; N438-S440 VanDerWaalsContact C-N 3.28Å; N438-S440 PolarHBondContact O-N 2.78Å; N438-A441 HydrophobicContact CB-CB 4.09Å; N438-A441 WeakPolarHBondContact ND2-CB 3.35Å; N438-A441 PolarHBondContact O-N 3.24Å; N438-A441 WeakPolarHBondContact OD1-CB 3.4Å; N438-A441 PolarHBondContact OD1-N 3.37Å; N438-A441 VanDerWaalsContact OD1-N 3.14Å; N438-A442 PolarHBondContact O-N 2.81Å; N438-A442 VanDerWaalsContact O-N 3.1Å | ||
| 439 | W | 88.1 | Confident | 84.1 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 13% | 0.129 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.2 | -36.9 | -177.9 | -60.1 | 118.1 | 0 | 0 | 0 | 113.1 | A389 P391 L394 F420 A424 A427 F437 A442 V443 I608 | A389-W439 HydrophobicContact CB-CB 3.93Å; A389-W439 WeakPolarHBondContact O-CB 3.04Å; P391-W439 HydrophobicContact CB-CH2 4.44Å; P391-W439 HydrophobicContact CB-CZ2 4.29Å; P391-W439 HydrophobicContact CG-CD2 4.18Å; P391-W439 HydrophobicContact CG-CH2 4.22Å; P391-W439 HydrophobicContact CG-CZ2 3.6Å; L394-W439 HydrophobicContact CD2-CE3 3.91Å; L394-W439 HydrophobicContact CD2-CZ3 3.9Å; F420-W439 HydrophobicContact CZ-CH2 4.35Å; F420-W439 HydrophobicContact CZ-CZ3 4.23Å; A424-W439 HydrophobicContact CB-CH2 4.2Å; A424-W439 HydrophobicContact CB-CZ3 3.86Å; A427-W439 HydrophobicContact CB-CD2 4.49Å; A427-W439 HydrophobicContact CB-CE3 3.89Å; A427-W439 HydrophobicContact CB-CZ3 4.1Å; F437-W439 VanDerWaalsContact C-N 3.34Å; F437-W439 HydrophobicContact CB-CD2 3.78Å; F437-W439 HydrophobicContact CB-CE3 4.31Å; F437-W439 HydrophobicContact CB-CG 4.32Å; F437-W439 HydrophobicContact CB-CH2 3.89Å; F437-W439 HydrophobicContact CB-CZ2 3.29Å; F437-W439 HydrophobicContact CB-CZ3 4.36Å; F437-W439 AromaticContact CD1-CH2 3.43Å; F437-W439 HydrophobicContact CD1-CH2 3.43Å; F437-W439 VanDerWaalsContact CD1-CH2 3.43Å; F437-W439 AromaticContact CD1-CZ2 3.65Å; F437-W439 HydrophobicContact CD1-CZ2 3.65Å; F437-W439 HydrophobicContact CD1-CZ3 4.03Å; F437-W439 HydrophobicContact CD2-CH2 4.19Å; F437-W439 AromaticContact CD2-CZ2 3.61Å; F437-W439 HydrophobicContact CD2-CZ2 3.61Å; F437-W439 AromaticContact CE1-CH2 3.89Å; F437-W439 HydrophobicContact CE1-CH2 3.89Å; F437-W439 HydrophobicContact CE1-CZ2 4.3Å; F437-W439 HydrophobicContact CE2-CZ2 4.27Å; F437-W439 AromaticContact CG-CE2 3.8Å; F437-W439 AromaticContact CG-CH2 3.59Å; F437-W439 HydrophobicContact CG-CH2 3.59Å; F437-W439 AromaticContact CG-CZ2 3.25Å; F437-W439 HydrophobicContact CG-CZ2 3.25Å; F437-W439 HydrophobicContact CG-CZ3 4.38Å; F437-W439 HydrophobicContact CZ-CH2 4.44Å; F437-W439 PolarHBondContact O-N 3.03Å; W439-A442 PolarHBondContact O-N 3.44Å; W439-V443 WeakPolarHBondContact O-CG2 3.38Å; W439-V443 PolarHBondContact O-N 2.96Å; W439-I608 HydrophobicContact CH2-CD1 4.49Å; W439-I608 HydrophobicContact CH2-CG2 4.44Å; W439-I608 HydrophobicContact CZ2-CD1 4.4Å |
| 440 | S | 87.3 | Confident | 84.2 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | A389 N438 A442 V443 T444 | A389-S440 PolarHBondContact N-OG 3.24Å; A389-S440 VanDerWaalsContact N-OG 3.12Å; N438-S440 VanDerWaalsContact C-N 3.28Å; N438-S440 PolarHBondContact O-N 2.78Å; S440-A442 VanDerWaalsContact C-N 3.34Å; S440-V443 PolarHBondContact O-N 2.83Å; S440-T444 WeakPolarHBondContact O-CB 3.04Å; S440-T444 PolarHBondContact O-N 3.07Å; S440-T444 PolarHBondContact O-OG1 2.99Å |
| 441 | A | 85.9 | Confident | 84.4 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | N438 T444 Q445 | N438-A441 HydrophobicContact CB-CB 4.09Å; N438-A441 WeakPolarHBondContact ND2-CB 3.35Å; N438-A441 PolarHBondContact O-N 3.24Å; N438-A441 WeakPolarHBondContact OD1-CB 3.4Å; N438-A441 PolarHBondContact OD1-N 3.37Å; N438-A441 VanDerWaalsContact OD1-N 3.14Å; A441-T444 PolarHBondContact O-N 3.24Å; A441-Q445 WeakPolarHBondContact O-CB 3.48Å; A441-Q445 PolarHBondContact O-N 3.42Å |
| 442 | A | 89.2 | Confident | 85 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L394 Y423 A427 N438 W439 S440 T444 Q445 L446 | L394-A442 HydrophobicContact CD2-CB 4.5Å; Y423-A442 WeakPolarHBondContact CD1-O 3.24Å; Y423-A442 VanDerWaalsContact O-CB 3.27Å; Y423-A442 WeakPolarHBondContact O-CB 3.41Å; A427-A442 HydrophobicContact CB-CB 3.58Å; N438-A442 PolarHBondContact O-N 2.81Å; N438-A442 VanDerWaalsContact O-N 3.1Å; W439-A442 PolarHBondContact O-N 3.44Å; S440-A442 VanDerWaalsContact C-N 3.34Å; A442-T444 VanDerWaalsContact C-N 3.31Å; A442-Q445 PolarHBondContact O-N 2.89Å; A442-L446 WeakPolarHBondContact O-CB 3.33Å; A442-L446 PolarHBondContact O-N 3.16Å |
| 443 | V | 88 | Confident | 85.7 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.121 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 173.5 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | A389 T393 L394 W439 S440 L446 R447 | A389-V443 HydrophobicContact CB-CG2 3.97Å; T393-V443 HydrophobicContact CG2-CG2 4.37Å; L394-V443 HydrophobicContact CB-CG2 4.07Å; L394-V443 HydrophobicContact CD1-CG2 4.01Å; W439-V443 WeakPolarHBondContact O-CG2 3.38Å; W439-V443 PolarHBondContact O-N 2.96Å; S440-V443 PolarHBondContact O-N 2.83Å; V443-L446 PolarHBondContact O-N 3.34Å; V443-R447 VanDerWaalsContact O-CG 3.3Å; V443-R447 WeakPolarHBondContact O-CG 3.22Å; V443-R447 PolarHBondContact O-N 2.91Å |
| 444 | T | 87.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 175.5 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | S440 A441 A442 L446 R447 N448 | S440-T444 WeakPolarHBondContact O-CB 3.04Å; S440-T444 PolarHBondContact O-N 3.07Å; S440-T444 PolarHBondContact O-OG1 2.99Å; A441-T444 PolarHBondContact O-N 3.24Å; A442-T444 VanDerWaalsContact C-N 3.31Å; T444-L446 PolarHBondContact O-N 3.35Å; T444-R447 WeakPolarHBondContact O-CB 3.37Å; T444-R447 PolarHBondContact O-N 2.99Å; T444-N448 PolarHBondContact O-N 2.82Å |
| 445 | Q | 89 | Confident | 87.4 | Confident | 61 Ų | 61 | 32.9 Ų | 32.9 | 29% | 0.285 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.4 | -169.2 | 65.3 | 26.8 | 0 | 0 | 111.4 | Y423 K426 A441 A442 R447 N448 D449 | Y423-Q445 HydrophobicContact CD1-CB 4.41Å; Y423-Q445 HydrophobicContact CE1-CB 4.21Å; Y423-Q445 HydrophobicContact CE1-CG 4.08Å; K426-Q445 HydrophobicContact CD-CG 4.25Å; A441-Q445 WeakPolarHBondContact O-CB 3.48Å; A441-Q445 PolarHBondContact O-N 3.42Å; A442-Q445 PolarHBondContact O-N 2.89Å; Q445-R447 VanDerWaalsContact C-N 3.27Å; Q445-R447 PolarHBondContact O-N 2.81Å; Q445-N448 PolarHBondContact O-N 3.03Å; Q445-D449 PolarHBondContact NE2-OD1 3.33Å; Q445-D449 VanDerWaalsContact O-CB 3.24Å; Q445-D449 WeakPolarHBondContact O-CB 2.99Å; Q445-D449 VanDerWaalsContact O-CG 3.26Å; Q445-D449 PolarHBondContact O-N 3.34Å |
| 446 | L | 89.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.1 | 170.6 | 60.5 | 0 | 0 | 0 | 111.5 | L394 A397 V401 Y423 A442 V443 T444 N450 W568 | L394-L446 HydrophobicContact CD1-CD2 3.89Å; A397-L446 HydrophobicContact CB-CD2 3.61Å; V401-L446 HydrophobicContact CG2-CD1 4.34Å; V401-L446 HydrophobicContact CG2-CG 4.46Å; Y423-L446 HydrophobicContact CD1-CB 3.71Å; Y423-L446 HydrophobicContact CD2-CB 4.39Å; Y423-L446 HydrophobicContact CD2-CD1 4Å; Y423-L446 HydrophobicContact CE1-CB 3.63Å; Y423-L446 HydrophobicContact CE1-CD1 4.31Å; Y423-L446 VanDerWaalsContact CE1-N 3.27Å; Y423-L446 HydrophobicContact CE2-CB 4.33Å; Y423-L446 HydrophobicContact CE2-CD1 3.55Å; Y423-L446 HydrophobicContact CE2-CG 4.49Å; Y423-L446 HydrophobicContact CG-CB 4.11Å; A442-L446 WeakPolarHBondContact O-CB 3.33Å; A442-L446 PolarHBondContact O-N 3.16Å; V443-L446 PolarHBondContact O-N 3.34Å; T444-L446 PolarHBondContact O-N 3.35Å; L446-N450 VanDerWaalsContact O-CB 3.26Å; L446-N450 WeakPolarHBondContact O-CB 3.26Å; L446-N450 PolarHBondContact O-N 3.36Å; L446-W568 HydrophobicContact CD1-CH2 3.68Å; L446-W568 HydrophobicContact CD1-CZ2 3.59Å |
| 447 | R | 87.7 | Confident | 88.9 | Confident | 102 Ų | 102 | 22.1 Ų | 22.1 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -68.3 | -43 | 176.6 | -70.6 | 172.7 | 63.3 | -166.5 | -3.9 | 112.1 | F374 V443 T444 Q445 G451 | F374-R447 HydrophobicContact CB-CB 4.18Å; F374-R447 VanDerWaalsContact CD2-C 3.49Å; F374-R447 HydrophobicContact CD2-CB 3.98Å; F374-R447 VanDerWaalsContact CD2-O 3.31Å; F374-R447 WeakPolarHBondContact CD2-O 3.46Å; F374-R447 WeakPolarHBondContact CE2-O 3.23Å; F374-R447 HydrophobicContact CG-CB 4.18Å; V443-R447 VanDerWaalsContact O-CG 3.3Å; V443-R447 WeakPolarHBondContact O-CG 3.22Å; V443-R447 PolarHBondContact O-N 2.91Å; T444-R447 WeakPolarHBondContact O-CB 3.37Å; T444-R447 PolarHBondContact O-N 2.99Å; Q445-R447 VanDerWaalsContact C-N 3.27Å; Q445-R447 PolarHBondContact O-N 2.81Å; R447-G451 WeakPolarHBondContact O-CA 3.45Å; R447-G451 PolarHBondContact O-N 3.05Å |
| 448 | N | 90.3 | Very high | 89.2 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -53.2 | 175.7 | -70.6 | -21 | 0 | 0 | 0 | 111.2 | F374 T444 Q445 I452 F453 | F374-N448 WeakPolarHBondContact CB-OD1 3.23Å; F374-N448 WeakPolarHBondContact CD2-OD1 3.41Å; F374-N448 PolarHBondContact N-OD1 2.77Å; T444-N448 PolarHBondContact O-N 2.82Å; Q445-N448 PolarHBondContact O-N 3.03Å; N448-I452 PolarHBondContact O-N 3.02Å; N448-F453 HydrophobicContact CB-CD2 3.89Å; N448-F453 HydrophobicContact CB-CE1 4.46Å; N448-F453 HydrophobicContact CB-CE2 3.5Å; N448-F453 HydrophobicContact CB-CZ 3.82Å; N448-F453 PolarHBondContact O-N 3.11Å |
| 449 | D | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -58.4 | -55.5 | -177.8 | -74.8 | -3.3 | 0 | 0 | 0 | 110 | Y423 K426 Q445 F453 W454 G564 | Y423-D449 WeakPolarHBondContact OH-CB 3.4Å; Y423-D449 PolarHBondContact OH-OD2 3.05Å; K426-D449 IonicContact NZ-OD2 2.9Å; K426-D449 PolarHBondContact NZ-OD2 2.79Å; Q445-D449 PolarHBondContact NE2-OD1 3.33Å; Q445-D449 VanDerWaalsContact O-CB 3.24Å; Q445-D449 WeakPolarHBondContact O-CB 2.99Å; Q445-D449 VanDerWaalsContact O-CG 3.26Å; Q445-D449 PolarHBondContact O-N 3.34Å; D449-F453 WeakPolarHBondContact OD1-CD2 3.09Å; D449-W454 WeakPolarHBondContact O-CB 3.35Å; D449-W454 PolarHBondContact O-N 3.14Å; D449-G564 WeakPolarHBondContact OD2-CA 3.29Å |
| 450 | N | 85.9 | Confident | 89.7 | Confident | 5 Ų | 5 | 15.6 Ų | 15.6 | 3% | 0.027 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -75.6 | -36.3 | -177.4 | -174.4 | -106.8 | 0 | 0 | 0 | 114.1 | P247 V401 W405 L446 P455 W568 | P247-N450 WeakPolarHBondContact CD-O 3.47Å; P247-N450 WeakPolarHBondContact CG-O 3.39Å; P247-N450 WeakPolarHBondContact CG-OD1 3.16Å; V401-N450 HydrophobicContact CG1-CB 3.94Å; V401-N450 WeakPolarHBondContact CG1-ND2 3.49Å; V401-N450 VanDerWaalsContact CG1-OD1 3.26Å; V401-N450 WeakPolarHBondContact CG1-OD1 3.39Å; V401-N450 HydrophobicContact CG2-CB 4.22Å; W405-N450 PolarHBondContact NE1-ND2 2.93Å; W405-N450 PolarHBondContact NE1-OD1 2.84Å; L446-N450 VanDerWaalsContact O-CB 3.26Å; L446-N450 WeakPolarHBondContact O-CB 3.26Å; L446-N450 PolarHBondContact O-N 3.36Å; N450-P455 WeakPolarHBondContact O-CD 3.39Å; N450-P455 VanDerWaalsContact O-CG 3.32Å; N450-P455 WeakPolarHBondContact O-CG 3.45Å; N450-W568 HydrophobicContact CB-CH2 3.98Å; N450-W568 HydrophobicContact CB-CZ2 3.69Å |
| 451 | G | 85.8 | Confident | 89.8 | Confident | 12 Ų | 12 | 13.6 Ų | 13.6 | 12% | 0.124 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -76.5 | -35.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113 | P247 R447 | P247-G451 WeakPolarHBondContact CD-O 3.36Å; R447-G451 WeakPolarHBondContact O-CA 3.45Å; R447-G451 PolarHBondContact O-N 3.05Å |
| 452 | I | 91.8 | Very high | 90 | Very high | 15 Ų | 15 | 12.6 Ų | 12.6 | 8% | 0.077 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -140.6 | -51.3 | -172.5 | -66 | -65.4 | 0 | 0 | 0 | 112.8 | T369 E373 F374 N448 W454 P455 V456 | T369-I452 HydrophobicContact CG2-CG2 3.43Å; T369-I452 VanDerWaalsContact CG2-CG2 3.43Å; E373-I452 HydrophobicContact CB-CB 4.3Å; E373-I452 HydrophobicContact CB-CG1 4.24Å; E373-I452 HydrophobicContact CG-CB 3.87Å; E373-I452 HydrophobicContact CG-CG1 4.18Å; E373-I452 HydrophobicContact CG-CG2 3.68Å; F374-I452 HydrophobicContact CE2-CB 4.5Å; F374-I452 HydrophobicContact CE2-CG1 3.81Å; F374-I452 HydrophobicContact CZ-CG1 3.96Å; N448-I452 PolarHBondContact O-N 3.02Å; I452-W454 PolarHBondContact O-N 3.28Å; I452-P455 WeakPolarHBondContact O-CD 3.44Å; I452-V456 HydrophobicContact CG2-CG2 4.01Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.25Å; I452-V456 WeakPolarHBondContact O-CG2 3.49Å; I452-V456 PolarHBondContact O-N 3.48Å |
| 453 | F | 93 | Very high | 90.3 | Very high | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -62.5 | -48.7 | -170.2 | -59.4 | -19.8 | 0 | 0 | 0 | 112.4 | T369 T370 E373 N448 D449 V456 Y457 H561 M565 | T369-F453 HydrophobicContact CG2-CD1 4.01Å; T369-F453 HydrophobicContact CG2-CE1 4.45Å; T369-F453 WeakPolarHBondContact OG1-CE1 3.24Å; T370-F453 VanDerWaalsContact O-CE1 3.28Å; T370-F453 WeakPolarHBondContact O-CE1 3.31Å; E373-F453 HydrophobicContact CB-CE1 4.43Å; E373-F453 HydrophobicContact CG-CD1 4.15Å; E373-F453 HydrophobicContact CG-CE1 3.51Å; E373-F453 HydrophobicContact CG-CZ 4.3Å; N448-F453 HydrophobicContact CB-CD2 3.89Å; N448-F453 HydrophobicContact CB-CE1 4.46Å; N448-F453 HydrophobicContact CB-CE2 3.5Å; N448-F453 HydrophobicContact CB-CZ 3.82Å; N448-F453 PolarHBondContact O-N 3.11Å; D449-F453 WeakPolarHBondContact OD1-CD2 3.09Å; F453-V456 PolarHBondContact O-N 2.94Å; F453-Y457 VanDerWaalsContact O-CB 3.29Å; F453-Y457 WeakPolarHBondContact O-CB 3.3Å; F453-Y457 PolarHBondContact O-N 3.14Å; F453-H561 HydrophobicContact CB-CB 4.46Å; F453-H561 AromaticContact CD1-CD2 3.8Å; F453-H561 AromaticContact CD1-NE2 3.6Å; F453-H561 HydrophobicContact CD2-CB 4.02Å; F453-H561 AromaticContact CD2-CD2 3.56Å; F453-H561 AromaticContact CD2-CE1 3.84Å; F453-H561 AromaticContact CD2-CG 3.48Å; F453-H561 VanDerWaalsContact CD2-CG 3.48Å; F453-H561 AromaticContact CD2-ND1 3.68Å; F453-H561 AromaticContact CD2-NE2 3.78Å; F453-H561 AromaticContact CE1-CE1 3.91Å; F453-H561 AromaticContact CE1-NE2 3.61Å; F453-H561 AromaticContact CE2-CE1 3.47Å; F453-H561 VanDerWaalsContact CE2-CE1 3.47Å; F453-H561 WeakPolarHBondContact CE2-CE1 3.28Å; F453-H561 AromaticContact CE2-CG 3.84Å; F453-H561 AromaticContact CE2-ND1 3.51Å; F453-H561 AromaticContact CE2-NE2 3.78Å; F453-H561 HydrophobicContact CG-CB 4.49Å; F453-H561 AromaticContact CG-CD2 3.44Å; F453-H561 VanDerWaalsContact CG-CD2 3.44Å; F453-H561 WeakPolarHBondContact CG-CD2 3.11Å; F453-H561 AromaticContact CG-CG 3.86Å; F453-H561 AromaticContact CG-NE2 3.7Å; F453-H561 AromaticContact CZ-CE1 3.52Å; F453-H561 AromaticContact CZ-NE2 3.71Å; F453-M565 HydrophobicContact CB-CE 3.54Å; F453-M565 HydrophobicContact CB-SD 4.49Å |
| 454 | W | 89.2 | Confident | 90.5 | Very high | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.9 | -51.8 | 177.3 | 165.8 | -111.5 | 0 | 0 | 0 | 112.2 | D449 I452 V456 Y457 A458 M565 W568 P569 F572 A574 F578 | D449-W454 WeakPolarHBondContact O-CB 3.35Å; D449-W454 PolarHBondContact O-N 3.14Å; I452-W454 PolarHBondContact O-N 3.28Å; W454-V456 VanDerWaalsContact C-N 3.31Å; W454-V456 PolarHBondContact O-N 2.89Å; W454-Y457 HydrophobicContact CE3-CD1 4.21Å; W454-Y457 HydrophobicContact CZ3-CD1 4.01Å; W454-Y457 PolarHBondContact O-N 2.89Å; W454-A458 HydrophobicContact CD2-CB 4.47Å; W454-A458 HydrophobicContact CH2-CB 4.43Å; W454-A458 HydrophobicContact CZ2-CB 4.25Å; W454-A458 WeakPolarHBondContact O-CB 3.31Å; W454-A458 PolarHBondContact O-N 2.97Å; W454-M565 VanDerWaalsContact CA-SD 3.5Å; W454-M565 HydrophobicContact CB-CE 4.01Å; W454-M565 HydrophobicContact CB-SD 4.11Å; W454-M565 HydrophobicContact CE3-SD 3.92Å; W454-W568 HydrophobicContact CB-CB 4.38Å; W454-W568 HydrophobicContact CB-CG 4.17Å; W454-W568 HydrophobicContact CD2-CB 3.54Å; W454-W568 HydrophobicContact CD2-CG 4.25Å; W454-W568 HydrophobicContact CE3-CB 4.01Å; W454-W568 HydrophobicContact CG-CB 3.69Å; W454-W568 AromaticContact CG-CD1 3.98Å; W454-W568 AromaticContact CG-CG 3.92Å; W454-W568 HydrophobicContact CG-CG 3.92Å; W454-W568 HydrophobicContact CH2-CB 4.49Å; W454-W568 HydrophobicContact CZ2-CB 4.17Å; W454-W568 HydrophobicContact CZ3-CB 4.47Å; W454-P569 HydrophobicContact CH2-CB 3.53Å; W454-P569 HydrophobicContact CH2-CG 3.29Å; W454-P569 HydrophobicContact CZ2-CB 4.22Å; W454-P569 HydrophobicContact CZ2-CG 4.27Å; W454-P569 HydrophobicContact CZ3-CB 4.31Å; W454-P569 VanDerWaalsContact CZ3-CD 3.43Å; W454-P569 HydrophobicContact CZ3-CG 3.56Å; W454-F572 AromaticContact CD1-CE2 3.81Å; W454-F572 HydrophobicContact CZ2-CD2 4.38Å; W454-F572 AromaticContact NE1-CD2 3.6Å; W454-F572 AromaticContact NE1-CE2 3.49Å; W454-A574 HydrophobicContact CZ2-CB 4.42Å; W454-F578 HydrophobicContact CH2-CD2 4.08Å; W454-F578 HydrophobicContact CH2-CE1 4.38Å; W454-F578 AromaticContact CH2-CE2 3.07Å; W454-F578 HydrophobicContact CH2-CE2 3.07Å; W454-F578 AromaticContact CH2-CZ 3.24Å; W454-F578 HydrophobicContact CH2-CZ 3.24Å; W454-F578 AromaticContact CZ2-CE2 3.77Å; W454-F578 HydrophobicContact CZ2-CE2 3.77Å; W454-F578 HydrophobicContact CZ2-CZ 4.23Å; W454-F578 HydrophobicContact CZ3-CE1 4.49Å; W454-F578 AromaticContact CZ3-CE2 3.9Å; W454-F578 HydrophobicContact CZ3-CE2 3.9Å; W454-F578 AromaticContact CZ3-CZ 3.55Å; W454-F578 HydrophobicContact CZ3-CZ 3.55Å |
| 455 | P | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -52.4 | -42.3 | 173.7 | -32.7 | 37 | 0 | 0 | 0 | 115.5 | S243 L245 W405 N450 I452 D459 | S243-P455 PolarHBondContact OG-O 2.93Å; L245-P455 HydrophobicContact CB-CB 4.03Å; W405-P455 HydrophobicContact CZ2-CG 4.49Å; N450-P455 WeakPolarHBondContact O-CD 3.39Å; N450-P455 VanDerWaalsContact O-CG 3.32Å; N450-P455 WeakPolarHBondContact O-CG 3.45Å; I452-P455 WeakPolarHBondContact O-CD 3.44Å; P455-D459 VanDerWaalsContact O-CB 3.31Å; P455-D459 WeakPolarHBondContact O-CB 3.26Å; P455-D459 PolarHBondContact O-N 2.59Å |
| 456 | V | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.5 | -44.3 | 178.9 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | G242 L367 T369 I452 F453 W454 D459 A460 L472 | G242-V456 WeakPolarHBondContact O-CG2 3.38Å; L367-V456 HydrophobicContact CD1-CG1 3.83Å; L367-V456 WeakPolarHBondContact CD1-O 3.5Å; L367-V456 HydrophobicContact CG-CG1 3.98Å; T369-V456 HydrophobicContact CG2-CB 4Å; T369-V456 HydrophobicContact CG2-CG1 3.96Å; T369-V456 HydrophobicContact CG2-CG2 3.82Å; I452-V456 HydrophobicContact CG2-CG2 4.01Å; I452-V456 WeakPolarHBondContact O-CB 3.31Å; I452-V456 VanDerWaalsContact O-CG2 3.25Å; I452-V456 WeakPolarHBondContact O-CG2 3.49Å; I452-V456 PolarHBondContact O-N 3.48Å; F453-V456 PolarHBondContact O-N 2.94Å; W454-V456 VanDerWaalsContact C-N 3.31Å; W454-V456 PolarHBondContact O-N 2.89Å; V456-D459 PolarHBondContact O-N 3.23Å; V456-A460 WeakPolarHBondContact O-CB 3.39Å; V456-A460 PolarHBondContact O-N 3.34Å; V456-L472 HydrophobicContact CG1-CD1 4.06Å |
| 457 | Y | 92 | Very high | 90.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.2 | -176.7 | -110.3 | 0 | 0 | 0 | 112.3 | F453 W454 D459 A460 V461 L472 G544 Y560 M565 F578 F584 | F453-Y457 VanDerWaalsContact O-CB 3.29Å; F453-Y457 WeakPolarHBondContact O-CB 3.3Å; F453-Y457 PolarHBondContact O-N 3.14Å; W454-Y457 HydrophobicContact CE3-CD1 4.21Å; W454-Y457 HydrophobicContact CZ3-CD1 4.01Å; W454-Y457 PolarHBondContact O-N 2.89Å; Y457-D459 PolarHBondContact O-N 3.3Å; Y457-A460 VanDerWaalsContact O-CB 3.31Å; Y457-A460 WeakPolarHBondContact O-CB 3.35Å; Y457-A460 PolarHBondContact O-N 2.94Å; Y457-V461 HydrophobicContact CD1-CG2 4.42Å; Y457-V461 HydrophobicContact CE1-CG2 4.03Å; Y457-V461 HydrophobicContact CE2-CG2 4.19Å; Y457-V461 WeakPolarHBondContact O-CG2 3.48Å; Y457-V461 PolarHBondContact O-N 3.35Å; Y457-L472 HydrophobicContact CD2-CD2 3.89Å; Y457-L472 HydrophobicContact CE2-CD2 4.37Å; Y457-G544 VanDerWaalsContact CE2-O 3.23Å; Y457-G544 WeakPolarHBondContact CE2-O 3.44Å; Y457-G544 VanDerWaalsContact OH-C 3.28Å; Y457-G544 PolarHBondContact OH-O 2.9Å; Y457-Y560 AromaticContact CD2-CD1 3.78Å; Y457-Y560 HydrophobicContact CD2-CD1 3.78Å; Y457-Y560 HydrophobicContact CD2-CG 4.44Å; Y457-Y560 HydrophobicContact CG-CD1 4.16Å; Y457-M565 VanDerWaalsContact CB-SD 3.58Å; Y457-M565 HydrophobicContact CD1-CB 3.89Å; Y457-M565 HydrophobicContact CD1-CG 3.97Å; Y457-M565 HydrophobicContact CD1-SD 3.97Å; Y457-M565 HydrophobicContact CE1-CB 4.01Å; Y457-M565 HydrophobicContact CE1-CG 4.46Å; Y457-M565 HydrophobicContact CG-CB 4.45Å; Y457-M565 HydrophobicContact CG-CG 4.04Å; Y457-M565 HydrophobicContact CG-SD 3.91Å; Y457-F578 HydrophobicContact CE1-CE1 4.13Å; Y457-F578 HydrophobicContact CE1-CZ 4.47Å; Y457-F584 HydrophobicContact CE1-CE2 4.13Å |
| 458 | A | 89.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L245 W454 A460 V461 T462 F578 | L245-A458 HydrophobicContact CD1-CB 3.51Å; W454-A458 HydrophobicContact CD2-CB 4.47Å; W454-A458 HydrophobicContact CH2-CB 4.43Å; W454-A458 HydrophobicContact CZ2-CB 4.25Å; W454-A458 WeakPolarHBondContact O-CB 3.31Å; W454-A458 PolarHBondContact O-N 2.97Å; A458-A460 VanDerWaalsContact C-N 3.34Å; A458-A460 PolarHBondContact O-N 2.91Å; A458-V461 PolarHBondContact O-N 2.94Å; A458-T462 VanDerWaalsContact O-CG2 3.31Å; A458-T462 WeakPolarHBondContact O-CG2 3.2Å; A458-T462 PolarHBondContact O-N 3.41Å; A458-T462 PolarHBondContact O-OG1 2.83Å; A458-F578 HydrophobicContact CB-CZ 4.37Å |
| 459 | D | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 172.3 | -172.7 | 7.1 | 0 | 0 | 0 | 111.1 | S222 M357 R360 Y365 L367 P455 V456 Y457 V461 T462 M463 | S222-D459 WeakPolarHBondContact CB-OD2 3.47Å; S222-D459 PolarHBondContact OG-OD2 2.86Å; M357-D459 HydrophobicContact CE-CB 4.36Å; R360-D459 IonicContact CZ-OD1 2.69Å; R360-D459 PolarHBondContact NH1-O 3.2Å; R360-D459 IonicContact NH1-OD1 3.52Å; R360-D459 PolarHBondContact NH1-OD1 3.12Å; R360-D459 IonicContact NH2-OD1 3.6Å; R360-D459 PolarHBondContact NH2-OD1 2.88Å; Y365-D459 WeakPolarHBondContact CE1-OD1 3.39Å; Y365-D459 PolarHBondContact OH-OD1 2.97Å; Y365-D459 PolarHBondContact OH-OD2 3.36Å; L367-D459 HydrophobicContact CD1-CB 4.18Å; P455-D459 VanDerWaalsContact O-CB 3.31Å; P455-D459 WeakPolarHBondContact O-CB 3.26Å; P455-D459 PolarHBondContact O-N 2.59Å; V456-D459 PolarHBondContact O-N 3.23Å; Y457-D459 PolarHBondContact O-N 3.3Å; D459-V461 PolarHBondContact O-N 3.44Å; D459-T462 PolarHBondContact O-N 3.28Å; D459-T462 PolarHBondContact O-OG1 3.33Å; D459-M463 PolarHBondContact O-N 2.84Å |
| 460 | A | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L367 V456 Y457 A458 M463 R464 V470 L539 | L367-A460 HydrophobicContact CD1-CB 3.9Å; L367-A460 HydrophobicContact CD2-CB 3.77Å; L367-A460 HydrophobicContact CG-CB 4.22Å; V456-A460 WeakPolarHBondContact O-CB 3.39Å; V456-A460 PolarHBondContact O-N 3.34Å; Y457-A460 VanDerWaalsContact O-CB 3.31Å; Y457-A460 WeakPolarHBondContact O-CB 3.35Å; Y457-A460 PolarHBondContact O-N 2.94Å; A458-A460 VanDerWaalsContact C-N 3.34Å; A458-A460 PolarHBondContact O-N 2.91Å; A460-M463 PolarHBondContact O-N 3.46Å; A460-R464 WeakPolarHBondContact O-CB 3.3Å; A460-R464 PolarHBondContact O-N 3.03Å; A460-V470 HydrophobicContact CB-CG1 3.92Å; A460-L539 HydrophobicContact CB-CD2 3.71Å |
| 461 | V | 90.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | -178.5 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | Y457 A458 D459 M463 R464 N465 L539 F578 | Y457-V461 HydrophobicContact CD1-CG2 4.42Å; Y457-V461 HydrophobicContact CE1-CG2 4.03Å; Y457-V461 HydrophobicContact CE2-CG2 4.19Å; Y457-V461 WeakPolarHBondContact O-CG2 3.48Å; Y457-V461 PolarHBondContact O-N 3.35Å; A458-V461 PolarHBondContact O-N 2.94Å; D459-V461 PolarHBondContact O-N 3.44Å; V461-M463 PolarHBondContact O-N 3.29Å; V461-R464 WeakPolarHBondContact O-CB 3.27Å; V461-R464 PolarHBondContact O-N 2.86Å; V461-N465 WeakPolarHBondContact O-CB 3.32Å; V461-N465 PolarHBondContact O-N 2.92Å; V461-N465 PolarHBondContact O-OD1 2.85Å; V461-L539 HydrophobicContact CG2-CD2 4.22Å; V461-F578 HydrophobicContact CB-CE1 4.1Å; V461-F578 HydrophobicContact CG1-CD1 4.03Å; V461-F578 HydrophobicContact CG1-CE1 3.78Å; V461-F578 HydrophobicContact CG1-CZ 4.46Å; V461-F578 HydrophobicContact CG2-CE1 4.01Å |
| 462 | T | 90.6 | Very high | 93 | Very high | 10 Ų | 10 | 15.1 Ų | 15.1 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.2 | M357 R360 A458 D459 N465 A466 I577 | M357-T462 HydrophobicContact CB-CG2 4.04Å; M357-T462 HydrophobicContact SD-CG2 4.02Å; M357-T462 PolarHBondContact SD-OG1 3.13Å; R360-T462 PolarHBondContact NH1-OG1 3.46Å; A458-T462 VanDerWaalsContact O-CG2 3.31Å; A458-T462 WeakPolarHBondContact O-CG2 3.2Å; A458-T462 PolarHBondContact O-N 3.41Å; A458-T462 PolarHBondContact O-OG1 2.83Å; D459-T462 PolarHBondContact O-N 3.28Å; D459-T462 PolarHBondContact O-OG1 3.33Å; T462-N465 PolarHBondContact O-N 3.45Å; T462-A466 PolarHBondContact O-N 3.42Å; T462-I577 HydrophobicContact CG2-CG2 3.61Å |
| 463 | M | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 175.1 | -178.1 | 63.4 | 83.1 | 0 | 0 | 111.8 | R360 M363 Y365 D459 A460 V461 A466 G467 G468 V470 | R360-M463 VanDerWaalsContact NH2-CE 3.29Å; M363-M463 HydrophobicContact CG-CE 3.6Å; M363-M463 HydrophobicContact CG-SD 4.13Å; M363-M463 HydrophobicContact SD-CE 4.25Å; Y365-M463 HydrophobicContact CD1-CB 3.84Å; Y365-M463 HydrophobicContact CD1-CE 4.13Å; Y365-M463 HydrophobicContact CD1-CG 3.76Å; Y365-M463 HydrophobicContact CD2-CE 3.68Å; Y365-M463 HydrophobicContact CE1-CB 4.3Å; Y365-M463 HydrophobicContact CE1-CE 4.37Å; Y365-M463 HydrophobicContact CE2-CE 3.99Å; Y365-M463 HydrophobicContact CG-CB 4.4Å; Y365-M463 HydrophobicContact CG-CE 3.77Å; Y365-M463 HydrophobicContact CG-CG 3.81Å; D459-M463 PolarHBondContact O-N 2.84Å; A460-M463 PolarHBondContact O-N 3.46Å; V461-M463 PolarHBondContact O-N 3.29Å; M463-A466 PolarHBondContact O-N 3.05Å; M463-G467 PolarHBondContact O-N 3.13Å; M463-G468 WeakPolarHBondContact O-CA 3.38Å; M463-G468 PolarHBondContact O-N 3.21Å; M463-V470 HydrophobicContact CB-CG2 3.81Å; M463-V470 HydrophobicContact CG-CG2 3.63Å |
| 464 | R | 92.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 14.6 Ų | 14.6 | 11% | 0.109 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 173.9 | -179.3 | -157.9 | 70.6 | 172.9 | -1.8 | 110.7 | A460 V461 A466 G467 V470 L539 D583 | A460-R464 WeakPolarHBondContact O-CB 3.3Å; A460-R464 PolarHBondContact O-N 3.03Å; V461-R464 WeakPolarHBondContact O-CB 3.27Å; V461-R464 PolarHBondContact O-N 2.86Å; R464-A466 VanDerWaalsContact C-N 3.27Å; R464-A466 PolarHBondContact O-N 3.16Å; R464-G467 WeakPolarHBondContact O-CA 3.45Å; R464-G467 PolarHBondContact O-N 2.86Å; R464-V470 HydrophobicContact CB-CG2 4.01Å; R464-L539 VanDerWaalsContact CD-O 3.27Å; R464-L539 WeakPolarHBondContact CD-O 3.14Å; R464-L539 WeakPolarHBondContact CG-O 3.48Å; R464-D583 IonicContact CZ-OD1 3.38Å; R464-D583 IonicContact CZ-OD2 3.9Å; R464-D583 IonicContact NH1-OD1 2.65Å; R464-D583 PolarHBondContact NH1-OD1 2.86Å; R464-D583 VanDerWaalsContact NH2-CG 3.3Å; R464-D583 IonicContact NH2-OD1 2.92Å; R464-D583 PolarHBondContact NH2-OD1 2.82Å; R464-D583 IonicContact NH2-OD2 2.86Å; R464-D583 PolarHBondContact NH2-OD2 2.99Å |
| 465 | N | 90.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 14.5 Ų | 14.5 | 40% | 0.396 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -65.6 | -30.5 | -178.3 | -68 | -4.9 | 0 | 0 | 0 | 112.3 | V461 T462 G467 | V461-N465 WeakPolarHBondContact O-CB 3.32Å; V461-N465 PolarHBondContact O-N 2.92Å; V461-N465 PolarHBondContact O-OD1 2.85Å; T462-N465 PolarHBondContact O-N 3.45Å; N465-G467 PolarHBondContact O-N 2.84Å |
| 466 | A | 92.2 | Very high | 94 | Very high | 37 Ų | 37 | 14.8 Ų | 14.8 | 31% | 0.306 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R360 S362 T462 M463 R464 | R360-A466 HydrophobicContact CG-CB 3.68Å; S362-A466 VanDerWaalsContact CB-O 3.27Å; S362-A466 WeakPolarHBondContact CB-O 3.36Å; T462-A466 PolarHBondContact O-N 3.42Å; M463-A466 PolarHBondContact O-N 3.05Å; R464-A466 VanDerWaalsContact C-N 3.27Å; R464-A466 PolarHBondContact O-N 3.16Å |
| 467 | G | 92.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 14.8 Ų | 14.8 | 61% | 0.608 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.7 | 9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M463 R464 N465 | M463-G467 PolarHBondContact O-N 3.13Å; R464-G467 WeakPolarHBondContact O-CA 3.45Å; R464-G467 PolarHBondContact O-N 2.86Å; N465-G467 PolarHBondContact O-N 2.84Å |
| 468 | G | 94.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 17.1 Ų | 17.1 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | trans | -72.2 | 147 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M363 M463 V470 | M363-G468 WeakPolarHBondContact O-CA 3.48Å; M463-G468 WeakPolarHBondContact O-CA 3.38Å; M463-G468 PolarHBondContact O-N 3.21Å; G468-V470 PolarHBondContact O-N 3.05Å | ||
| 469 | T | 96.3 | Very high | 93.4 | Very high | 64 Ų | 64 | 18.3 Ų | 18.3 | 39% | 0.393 | 12% | 0.119 | S | C | . | . | trans | -84.1 | 110.1 | 169.4 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | Y365 Y471 P538 | Y365-T469 PolarHBondContact N-O 3.31Å; T469-Y471 HydrophobicContact CG2-CE2 3.68Å; T469-P538 HydrophobicContact CG2-CB 4.05Å; T469-P538 HydrophobicContact CG2-CG 3.87Å | ||
| 470 | V | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.7 | -169.6 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | Y365 L367 A460 M463 R464 G468 P538 L539 | Y365-V470 CarbonylContact O-C 3.13Å; Y365-V470 VanDerWaalsContact O-CA 3.26Å; Y365-V470 WeakPolarHBondContact O-CA 3.42Å; L367-V470 HydrophobicContact CD2-CG1 3.45Å; L367-V470 VanDerWaalsContact CD2-CG1 3.45Å; A460-V470 HydrophobicContact CB-CG1 3.92Å; M463-V470 HydrophobicContact CB-CG2 3.81Å; M463-V470 HydrophobicContact CG-CG2 3.63Å; R464-V470 HydrophobicContact CB-CG2 4.01Å; G468-V470 PolarHBondContact O-N 3.05Å; V470-P538 CarbonylContact O-C 3.51Å; V470-P538 WeakPolarHBondContact O-CA 3.24Å; V470-L539 HydrophobicContact CB-CB 4.09Å; V470-L539 HydrophobicContact CG1-CB 4.27Å; V470-L539 HydrophobicContact CG1-CD2 4.37Å; V470-L539 PolarHBondContact O-N 3.15Å |
| 471 | Y | 98 | Very high | 91.6 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 109.9 | 175.1 | -64.3 | -81.5 | 0 | 0 | 0 | 110.1 | Y365 L366 L367 T469 F520 S524 P526 W536 P538 | Y365-Y471 PolarHBondContact O-N 3Å; L366-Y471 WeakPolarHBondContact CA-O 3.5Å; L367-Y471 PolarHBondContact N-O 3.45Å; L367-Y471 VanDerWaalsContact O-O 3.09Å; T469-Y471 HydrophobicContact CG2-CE2 3.68Å; Y471-F520 HydrophobicContact CD2-CD2 4.02Å; Y471-F520 AromaticContact CD2-CE2 3.84Å; Y471-F520 HydrophobicContact CD2-CE2 3.84Å; Y471-F520 HydrophobicContact CE2-CD2 4.24Å; Y471-F520 HydrophobicContact CE2-CE2 4.13Å; Y471-S524 WeakPolarHBondContact CE2-O 2.95Å; Y471-P526 HydrophobicContact CD1-CG 3.64Å; Y471-P526 HydrophobicContact CD2-CG 4.25Å; Y471-P526 VanDerWaalsContact CE1-CD 3.49Å; Y471-P526 HydrophobicContact CE1-CG 3.84Å; Y471-P526 HydrophobicContact CE2-CG 4.41Å; Y471-P526 HydrophobicContact CG-CG 3.85Å; Y471-W536 HydrophobicContact CD1-CB 4.42Å; Y471-W536 AromaticContact CD1-CD1 3.76Å; Y471-W536 HydrophobicContact CD1-CD2 4.17Å; Y471-W536 AromaticContact CD1-CG 3.86Å; Y471-W536 HydrophobicContact CD1-CG 3.86Å; Y471-W536 WeakPolarHBondContact CE1-O 3.49Å; Y471-P538 HydrophobicContact CD1-CG 4.45Å; Y471-P538 HydrophobicContact CE1-CB 4.31Å; Y471-P538 HydrophobicContact CE1-CG 3.68Å |
| 472 | L | 97.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.8 | -179.7 | -176.4 | 60.8 | 0 | 0 | 0 | 111.1 | L367 V456 Y457 W536 L539 Y547 L548 Y560 | L367-L472 HydrophobicContact CD2-CD1 4.34Å; L367-L472 HydrophobicContact CG-CD1 4.12Å; L367-L472 CarbonylContact O-C 3.55Å; L367-L472 VanDerWaalsContact O-CA 3.26Å; L367-L472 WeakPolarHBondContact O-CA 3.39Å; V456-L472 HydrophobicContact CG1-CD1 4.06Å; Y457-L472 HydrophobicContact CD2-CD2 3.89Å; Y457-L472 HydrophobicContact CE2-CD2 4.37Å; L472-W536 WeakPolarHBondContact O-CZ2 3.41Å; L472-W536 PolarHBondContact O-NE1 3.42Å; L472-L539 HydrophobicContact CB-CD1 4.37Å; L472-L539 HydrophobicContact CD2-CD1 4.14Å; L472-Y547 CarbonylContact O-C 3.54Å; L472-Y547 VanDerWaalsContact O-CA 3.23Å; L472-Y547 WeakPolarHBondContact O-CA 3.34Å; L472-Y547 WeakPolarHBondContact O-CB 3.05Å; L472-L548 PolarHBondContact O-N 3.22Å; L472-Y560 HydrophobicContact CD1-CD2 4.46Å; L472-Y560 HydrophobicContact CD1-CE1 4.31Å; L472-Y560 HydrophobicContact CD1-CE2 4.13Å; L472-Y560 HydrophobicContact CD2-CD1 3.83Å; L472-Y560 HydrophobicContact CD2-CD2 3.87Å; L472-Y560 HydrophobicContact CD2-CE1 4.28Å; L472-Y560 HydrophobicContact CD2-CE2 4.34Å; L472-Y560 HydrophobicContact CD2-CG 3.59Å; L472-Y560 HydrophobicContact CG-CD2 4.04Å; L472-Y560 HydrophobicContact CG-CE2 4.16Å; L472-Y560 HydrophobicContact CG-CG 4.26Å |
| 473 | Y | 97.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.1 | 172.6 | 74 | -84.2 | 0 | 0 | 0 | 114 | L366 L367 G368 T369 F475 D490 W536 L548 I550 | L366-Y473 HydrophobicContact CD2-CD1 3.82Å; L366-Y473 HydrophobicContact CD2-CE1 3.72Å; L367-Y473 WeakPolarHBondContact O-CD1 3.17Å; L367-Y473 PolarHBondContact O-N 3.31Å; G368-Y473 VanDerWaalsContact CA-CE1 3.43Å; G368-Y473 WeakPolarHBondContact CA-O 3.38Å; T369-Y473 PolarHBondContact N-O 3.32Å; Y473-F475 HydrophobicContact CD2-CB 4.27Å; Y473-F475 HydrophobicContact CE2-CB 4.02Å; Y473-D490 PolarHBondContact OH-OD2 2.86Å; Y473-W536 AromaticContact CD1-CH2 3.89Å; Y473-W536 HydrophobicContact CD1-CH2 3.89Å; Y473-W536 HydrophobicContact CD1-CZ2 4.2Å; Y473-W536 HydrophobicContact CG-CH2 4.08Å; Y473-W536 HydrophobicContact CG-CZ2 4.31Å; Y473-L548 CarbonylContact C-O 3.18Å; Y473-L548 WeakPolarHBondContact CA-O 3.33Å; Y473-L548 WeakPolarHBondContact CB-O 3.03Å; Y473-I550 HydrophobicContact CD2-CD1 3.83Å; Y473-I550 HydrophobicContact CG-CD1 4.12Å |
| 474 | S | 96.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 125.5 | 157.6 | -157.6 | 0 | 0 | 0 | 0 | 109.7 | T369 D476 L548 I550 | T369-S474 CarbonylContact O-C 3.51Å; T369-S474 VanDerWaalsContact O-CA 3.28Å; T369-S474 WeakPolarHBondContact O-CA 3.35Å; S474-D476 PolarHBondContact O-N 3.13Å; S474-D476 PolarHBondContact OG-OD1 3.25Å; S474-L548 PolarHBondContact N-O 2.88Å; S474-I550 PolarHBondContact O-N 3.43Å |
| 475 | F | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 101.3 | 172.1 | -164.5 | -86 | 0 | 0 | 0 | 108.1 | T369 K371 Y473 Y477 T485 V489 D490 Y493 I509 I513 I550 | T369-F475 PolarHBondContact O-N 3.35Å; K371-F475 PolarHBondContact N-O 2.85Å; Y473-F475 HydrophobicContact CD2-CB 4.27Å; Y473-F475 HydrophobicContact CE2-CB 4.02Å; F475-Y477 HydrophobicContact CE1-CD1 4.26Å; F475-Y477 HydrophobicContact CE1-CG 4.47Å; F475-Y477 HydrophobicContact CZ-CD1 4.3Å; F475-Y477 HydrophobicContact CZ-CG 4.5Å; F475-T485 HydrophobicContact CD1-CG2 3.66Å; F475-T485 HydrophobicContact CE1-CG2 4.23Å; F475-T485 WeakPolarHBondContact O-CG2 3.43Å; F475-V489 HydrophobicContact CD1-CG1 3.79Å; F475-V489 HydrophobicContact CE1-CG1 3.94Å; F475-D490 HydrophobicContact CB-CB 4.38Å; F475-D490 HydrophobicContact CD2-CB 4.13Å; F475-D490 HydrophobicContact CG-CB 4.1Å; F475-Y493 AromaticContact CE1-CD2 3.91Å; F475-Y493 HydrophobicContact CE1-CD2 3.91Å; F475-Y493 AromaticContact CE1-CE2 3.7Å; F475-Y493 HydrophobicContact CE1-CE2 3.7Å; F475-Y493 HydrophobicContact CE2-CD2 4.08Å; F475-Y493 AromaticContact CZ-CD2 3.27Å; F475-Y493 HydrophobicContact CZ-CD2 3.27Å; F475-Y493 AromaticContact CZ-CE2 3.43Å; F475-Y493 HydrophobicContact CZ-CE2 3.43Å; F475-Y493 VanDerWaalsContact CZ-CE2 3.43Å; F475-Y493 HydrophobicContact CZ-CG 4.22Å; F475-I509 HydrophobicContact CE2-CG2 3.91Å; F475-I509 HydrophobicContact CZ-CG2 3.63Å; F475-I513 HydrophobicContact CD2-CD1 3.86Å; F475-I513 HydrophobicContact CE2-CD1 3.8Å; F475-I550 HydrophobicContact CD2-CB 4.06Å; F475-I550 HydrophobicContact CD2-CD1 4.4Å; F475-I550 HydrophobicContact CD2-CG2 3.85Å; F475-I550 HydrophobicContact CE2-CG2 3.84Å |
| 476 | D | 94.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | trans | -100.3 | -19.9 | -171.2 | -72.5 | -42 | 0 | 0 | 0 | 112.6 | K371 S474 V478 T485 S549 I550 D551 | K371-D476 WeakPolarHBondContact CB-OD1 3.47Å; K371-D476 HydrophobicContact CD-CB 4.34Å; K371-D476 VanDerWaalsContact CD-OD1 3.3Å; K371-D476 WeakPolarHBondContact CD-OD1 3.19Å; K371-D476 WeakPolarHBondContact CG-OD1 3.48Å; S474-D476 PolarHBondContact O-N 3.13Å; S474-D476 PolarHBondContact OG-OD1 3.25Å; D476-V478 PolarHBondContact O-N 3.5Å; D476-T485 PolarHBondContact O-OG1 3.1Å; D476-T485 VanDerWaalsContact O-OG1 3.05Å; D476-S549 WeakPolarHBondContact OD2-CB 3.24Å; D476-S549 PolarHBondContact OD2-OG 3.38Å; D476-I550 PolarHBondContact N-O 3.11Å; D476-D551 HydrophobicContact CB-CB 4.19Å | ||
| 477 | Y | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -52.7 | 111.4 | -178 | -179.9 | -104.8 | 0 | 0 | 0 | 113.3 | F475 K479 T485 Y493 R505 D506 I509 I550 | F475-Y477 HydrophobicContact CE1-CD1 4.26Å; F475-Y477 HydrophobicContact CE1-CG 4.47Å; F475-Y477 HydrophobicContact CZ-CD1 4.3Å; F475-Y477 HydrophobicContact CZ-CG 4.5Å; Y477-K479 HydrophobicContact CE1-CB 4.35Å; Y477-T485 VanDerWaalsContact O-CG2 3.32Å; Y477-T485 WeakPolarHBondContact O-CG2 3.27Å; Y477-T485 PolarHBondContact O-OG1 3.33Å; Y477-Y493 HydrophobicContact CD1-CE1 4.49Å; Y477-Y493 HydrophobicContact CD1-CE2 4.01Å; Y477-Y493 AromaticContact CD1-CZ 3.73Å; Y477-Y493 WeakPolarHBondContact CD1-OH 3.17Å; Y477-Y493 HydrophobicContact CE1-CE1 4.15Å; Y477-Y493 HydrophobicContact CE1-CE2 4.39Å; Y477-Y493 AromaticContact CE1-CZ 3.64Å; Y477-Y493 WeakPolarHBondContact CE1-OH 3.08Å; Y477-R505 HydrophobicContact CE2-CG 3.7Å; Y477-R505 VanDerWaalsContact CE2-NE 3.32Å; Y477-R505 WeakPolarHBondContact OH-CD 3.27Å; Y477-R505 VanDerWaalsContact OH-CG 3.3Å; Y477-R505 WeakPolarHBondContact OH-CG 3.47Å; Y477-R505 PolarHBondContact OH-NH1 3.22Å; Y477-D506 WeakPolarHBondContact CE1-OD1 3.28Å; Y477-D506 PolarHBondContact OH-N 3.29Å; Y477-D506 PolarHBondContact OH-OD1 2.79Å; Y477-I509 HydrophobicContact CD1-CB 4.45Å; Y477-I509 HydrophobicContact CD1-CG1 4.22Å; Y477-I509 HydrophobicContact CD1-CG2 4.07Å; Y477-I509 HydrophobicContact CD2-CB 4.5Å; Y477-I509 HydrophobicContact CD2-CD1 3.89Å; Y477-I509 HydrophobicContact CD2-CG1 3.47Å; Y477-I509 VanDerWaalsContact CD2-CG1 3.47Å; Y477-I509 HydrophobicContact CE1-CG1 4.31Å; Y477-I509 HydrophobicContact CE2-CB 4.5Å; Y477-I509 HydrophobicContact CE2-CD1 4.26Å; Y477-I509 HydrophobicContact CE2-CG1 3.47Å; Y477-I509 VanDerWaalsContact CE2-CG1 3.47Å; Y477-I509 HydrophobicContact CG-CB 4.42Å; Y477-I509 HydrophobicContact CG-CD1 4.34Å; Y477-I509 HydrophobicContact CG-CG1 3.81Å; Y477-I509 HydrophobicContact CG-CG2 4.06Å; Y477-I550 PolarHBondContact N-O 3.46Å | ||
| 478 | V | 86.9 | Confident | 88.1 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 30% | 0.303 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -87.4 | 116.3 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | D476 F482 T485 R505 | D476-V478 PolarHBondContact O-N 3.5Å; V478-F482 WeakPolarHBondContact CG1-O 3.33Å; V478-T485 WeakPolarHBondContact CG2-OG1 3.47Å; V478-R505 PolarHBondContact O-NH1 2.92Å |
| 479 | K | 82.3 | Confident | 87.8 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 10% | 0.104 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 149 | 177.3 | -173.8 | -174.8 | 167.8 | -143.8 | 0 | 111.7 | Y477 N481 F482 F500 | Y477-K479 HydrophobicContact CE1-CB 4.35Å; K479-N481 PolarHBondContact O-N 3.02Å; K479-F482 HydrophobicContact CB-CB 4.44Å; K479-F482 HydrophobicContact CB-CD2 3.88Å; K479-F482 HydrophobicContact CB-CG 4.37Å; K479-F482 HydrophobicContact CD-CD2 3.89Å; K479-F482 HydrophobicContact CD-CE2 3.78Å; K479-F482 HydrophobicContact CG-CD2 4.12Å; K479-F482 PolarHBondContact O-N 3.23Å; K479-F500 HydrophobicContact CD-CD2 4.41Å; K479-F500 HydrophobicContact CD-CE1 4.44Å; K479-F500 HydrophobicContact CD-CE2 3.61Å; K479-F500 HydrophobicContact CD-CZ 3.63Å; K479-F500 VanDerWaalsContact CE-CD2 3.48Å; K479-F500 VanDerWaalsContact NZ-CD1 3.28Å; K479-F500 VanDerWaalsContact NZ-CE1 3.26Å |
| 480 | S | 77 | Confident | 87.5 | Confident | 45 Ų | 45 | 31.4 Ų | 31.4 | 32% | 0.315 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 130.6 | 167.2 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | F482 N503 | S480-F482 VanDerWaalsContact C-N 3.29Å; S480-F482 PolarHBondContact O-N 2.82Å; S480-N503 PolarHBondContact OG-ND2 3.36Å |
| 481 | N | 72.9 | Confident | 87.3 | Confident | 166 Ų | 166 | 31.6 Ų | 31.6 | 89% | 0.888 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | 8.2 | -176.8 | -44.5 | -40.7 | 0 | 0 | 0 | 115.9 | K479 | K479-N481 PolarHBondContact O-N 3.02Š|
| 482 | F | 72.9 | Confident | 86.9 | Confident | 89 Ų | 89 | 31.7 Ų | 31.7 | 39% | 0.39 | 17% | 0.174 | S | C | . | . | trans | -106.1 | 140.7 | 167.3 | -74.2 | -106.3 | 0 | 0 | 0 | 109.1 | V478 K479 S480 S484 P486 | V478-F482 WeakPolarHBondContact CG1-O 3.33Å; K479-F482 HydrophobicContact CB-CB 4.44Å; K479-F482 HydrophobicContact CB-CD2 3.88Å; K479-F482 HydrophobicContact CB-CG 4.37Å; K479-F482 HydrophobicContact CD-CD2 3.89Å; K479-F482 HydrophobicContact CD-CE2 3.78Å; K479-F482 HydrophobicContact CG-CD2 4.12Å; K479-F482 PolarHBondContact O-N 3.23Å; S480-F482 VanDerWaalsContact C-N 3.29Å; S480-F482 PolarHBondContact O-N 2.82Å; F482-S484 VanDerWaalsContact C-N 3.28Å; F482-P486 HydrophobicContact CD1-CG 4.44Å | ||
| 483 | D | 72 | Confident | 86.7 | Confident | 126 Ų | 126 | 31.6 Ų | 31.6 | 67% | 0.674 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -82.3 | -11.7 | 175.3 | -70 | -17.5 | 0 | 0 | 0 | 112 | K378 | K378-D483 WeakPolarHBondContact CE-OD2 3.46Å; K378-D483 IonicContact NZ-OD2 3.47Å; K378-D483 PolarHBondContact NZ-OD2 3.35Å |
| 484 | S | 80 | Confident | 86.6 | Confident | 36 Ų | 36 | 31.4 Ų | 31.4 | 25% | 0.252 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -154 | 175.3 | -172.6 | 68.6 | 0 | 0 | 0 | 0 | 112.1 | T375 F482 P486 | T375-S484 WeakPolarHBondContact CB-OG 3.41Å; T375-S484 WeakPolarHBondContact CG2-OG 3.45Å; T375-S484 PolarHBondContact OG1-OG 3.22Å; F482-S484 VanDerWaalsContact C-N 3.28Å; S484-P486 WeakPolarHBondContact O-CD 3.3Å |
| 485 | T | 82.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | trans | -108.3 | 81.4 | 178.3 | -47.8 | 0 | 0 | 0 | 0 | 108.6 | G372 F475 D476 Y477 V478 V489 | G372-T485 CarbonylContact C-O 3.44Å; G372-T485 WeakPolarHBondContact CA-O 3.23Å; G372-T485 PolarHBondContact N-O 2.9Å; F475-T485 HydrophobicContact CD1-CG2 3.66Å; F475-T485 HydrophobicContact CE1-CG2 4.23Å; F475-T485 WeakPolarHBondContact O-CG2 3.43Å; D476-T485 PolarHBondContact O-OG1 3.1Å; D476-T485 VanDerWaalsContact O-OG1 3.05Å; Y477-T485 VanDerWaalsContact O-CG2 3.32Å; Y477-T485 WeakPolarHBondContact O-CG2 3.27Å; Y477-T485 PolarHBondContact O-OG1 3.33Å; V478-T485 WeakPolarHBondContact CG2-OG1 3.47Å; T485-V489 HydrophobicContact CG2-CG1 3.34Å | ||
| 486 | P | 85.7 | Confident | 86.1 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 21% | 0.214 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 162.1 | -171.7 | 29.9 | -37.1 | 0 | 0 | 0 | 112.3 | G372 T375 F482 S484 V489 | G372-P486 WeakPolarHBondContact O-CA 3.16Å; T375-P486 WeakPolarHBondContact OG1-CB 3.48Å; F482-P486 HydrophobicContact CD1-CG 4.44Å; S484-P486 WeakPolarHBondContact O-CD 3.3Å; P486-V489 HydrophobicContact CG-CB 4.37Å; P486-V489 VanDerWaalsContact O-CB 3.26Å; P486-V489 WeakPolarHBondContact O-CB 3.44Å; P486-V489 WeakPolarHBondContact O-CG1 3.29Å; P486-V489 PolarHBondContact O-N 3.46Å |
| 487 | H | 88.2 | Confident | 85.7 | Confident | 40 Ų | 40 | 33.6 Ų | 33.6 | 19% | 0.185 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 140.2 | 170.4 | -174.2 | 68.5 | 0 | 0 | 0 | 113.1 | H214 S215 G372 E373 V489 | H214-H487 AromaticContact CE1-CE1 3.77Å; H214-H487 AromaticContact CE1-NE2 3.43Å; H214-H487 PolarHBondContact CE1-NE2 2.78Å; H214-H487 AromaticContact NE2-CE1 3.58Å; H214-H487 AromaticContact NE2-NE2 3.69Å; S215-H487 WeakPolarHBondContact CB-NE2 3.37Å; S215-H487 PolarHBondContact OG-NE2 3.36Å; G372-H487 PolarHBondContact O-N 2.95Å; E373-H487 VanDerWaalsContact O-CB 3.27Å; E373-H487 WeakPolarHBondContact O-CB 3.47Å; E373-H487 IonicContact OE2-CE1 3.1Å; E373-H487 IonicContact OE2-CG 2.79Å; E373-H487 IonicContact OE2-ND1 2.65Å; E373-H487 PolarHBondContact OE2-ND1 3.27Å; H487-V489 VanDerWaalsContact C-N 3.28Å; H487-V489 PolarHBondContact O-N 3.19Å |
| 488 | S | 87.4 | Confident | 85.2 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 7.6 | -177.7 | -25.5 | 0 | 0 | 0 | 0 | 116.5 | R97 H214 D490 L491 T492 | R97-S488 PolarHBondContact NH2-OG 3.42Å; H214-S488 VanDerWaalsContact CE1-CB 3.49Å; H214-S488 WeakPolarHBondContact CE1-CB 3.43Å; H214-S488 PolarHBondContact CE1-OG 2.65Å; H214-S488 VanDerWaalsContact NE2-CA 3.29Å; H214-S488 WeakPolarHBondContact NE2-CA 3.3Å; H214-S488 WeakPolarHBondContact NE2-CB 3.41Å; H214-S488 PolarHBondContact NE2-OG 3.02Å; S488-D490 VanDerWaalsContact C-N 3.29Å; S488-D490 VanDerWaalsContact C-OD1 3.26Å; S488-D490 WeakPolarHBondContact CA-OD1 3.18Å; S488-L491 WeakPolarHBondContact O-CB 3.5Å; S488-L491 PolarHBondContact O-N 3.06Å; S488-T492 PolarHBondContact O-N 2.99Å |
| 489 | V | 88.9 | Confident | 84.5 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.4 | -25.6 | 177.9 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | T370 F475 T485 P486 H487 T492 Y493 | T370-V489 HydrophobicContact CG2-CG1 3.87Å; F475-V489 HydrophobicContact CD1-CG1 3.79Å; F475-V489 HydrophobicContact CE1-CG1 3.94Å; T485-V489 HydrophobicContact CG2-CG1 3.34Å; P486-V489 HydrophobicContact CG-CB 4.37Å; P486-V489 VanDerWaalsContact O-CB 3.26Å; P486-V489 WeakPolarHBondContact O-CB 3.44Å; P486-V489 WeakPolarHBondContact O-CG1 3.29Å; P486-V489 PolarHBondContact O-N 3.46Å; H487-V489 VanDerWaalsContact C-N 3.28Å; H487-V489 PolarHBondContact O-N 3.19Å; V489-T492 WeakPolarHBondContact O-CB 3.37Å; V489-T492 PolarHBondContact O-N 2.87Å; V489-T492 VanDerWaalsContact O-N 3.12Å; V489-Y493 HydrophobicContact CG2-CE2 4.06Å; V489-Y493 WeakPolarHBondContact O-CD2 3.07Å; V489-Y493 WeakPolarHBondContact O-CE2 3.42Å |
| 490 | D | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 167.1 | 50.5 | -1.4 | 0 | 0 | 0 | 112.1 | H214 M240 T370 Y473 F475 S488 T492 Y493 A494 I513 | H214-D490 IonicContact CD2-OD1 2.65Å; H214-D490 IonicContact NE2-OD1 3.07Å; M240-D490 HydrophobicContact CE-CB 3.84Å; M240-D490 WeakPolarHBondContact CE-OD2 2.93Å; T370-D490 HydrophobicContact CG2-CB 4.46Å; Y473-D490 PolarHBondContact OH-OD2 2.86Å; F475-D490 HydrophobicContact CB-CB 4.38Å; F475-D490 HydrophobicContact CD2-CB 4.13Å; F475-D490 HydrophobicContact CG-CB 4.1Å; S488-D490 VanDerWaalsContact C-N 3.29Å; S488-D490 VanDerWaalsContact C-OD1 3.26Å; S488-D490 WeakPolarHBondContact CA-OD1 3.18Å; D490-T492 PolarHBondContact O-N 3.03Å; D490-Y493 PolarHBondContact O-N 3.01Å; D490-Y493 VanDerWaalsContact O-N 3.13Å; D490-A494 PolarHBondContact O-N 3.25Å; D490-I513 HydrophobicContact CB-CD1 4.12Å |
| 491 | L | 92 | Very high | 84.7 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -21.9 | 173.3 | -66.6 | -168.3 | 0 | 0 | 0 | 113.6 | F129 H214 M240 S488 Y493 L495 G496 L497 | F129-L491 HydrophobicContact CE2-CD2 4.22Å; F129-L491 HydrophobicContact CZ-CD1 4.32Å; F129-L491 HydrophobicContact CZ-CD2 4.13Å; H214-L491 HydrophobicContact CB-CD1 3.73Å; H214-L491 HydrophobicContact CB-CD2 4.02Å; H214-L491 HydrophobicContact CB-CG 4.1Å; H214-L491 WeakPolarHBondContact ND1-CD1 3.47Å; M240-L491 HydrophobicContact CE-CD2 3.86Å; M240-L491 HydrophobicContact SD-CD2 3.94Å; S488-L491 WeakPolarHBondContact O-CB 3.5Å; S488-L491 PolarHBondContact O-N 3.06Å; L491-Y493 VanDerWaalsContact C-N 3.29Å; L491-Y493 PolarHBondContact O-N 3.1Å; L491-L495 HydrophobicContact CD2-CD1 4.04Å; L491-L495 CarbonylContact O-C 3.49Å; L491-L495 WeakPolarHBondContact O-CA 3.05Å; L491-L495 PolarHBondContact O-N 3.01Å; L491-G496 PolarHBondContact O-N 3.24Å; L491-L497 HydrophobicContact CB-CD1 3.8Å; L491-L497 HydrophobicContact CD1-CD1 3.86Å |
| 492 | T | 90.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -44.4 | 173.5 | -63.1 | 0 | 0 | 0 | 0 | 110.3 | S488 V489 D490 G496 H498 F500 F502 | S488-T492 PolarHBondContact O-N 2.99Å; V489-T492 WeakPolarHBondContact O-CB 3.37Å; V489-T492 PolarHBondContact O-N 2.87Å; V489-T492 VanDerWaalsContact O-N 3.12Å; D490-T492 PolarHBondContact O-N 3.03Å; T492-G496 WeakPolarHBondContact O-CA 3.29Å; T492-G496 PolarHBondContact O-N 3.22Å; T492-H498 HydrophobicContact CG2-CB 3.71Å; T492-F500 HydrophobicContact CG2-CE2 4.31Å; T492-F500 HydrophobicContact CG2-CZ 4.04Å; T492-F502 HydrophobicContact CG2-CE1 3.81Å; T492-F502 HydrophobicContact CG2-CZ 3.85Å |
| 493 | Y | 93.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81.6 | -31.9 | -178.9 | -58.4 | -75.8 | 0 | 0 | 0 | 112.5 | F475 Y477 V489 D490 L491 F502 D506 I509 Q510 | F475-Y493 AromaticContact CE1-CD2 3.91Å; F475-Y493 HydrophobicContact CE1-CD2 3.91Å; F475-Y493 AromaticContact CE1-CE2 3.7Å; F475-Y493 HydrophobicContact CE1-CE2 3.7Å; F475-Y493 HydrophobicContact CE2-CD2 4.08Å; F475-Y493 AromaticContact CZ-CD2 3.27Å; F475-Y493 HydrophobicContact CZ-CD2 3.27Å; F475-Y493 AromaticContact CZ-CE2 3.43Å; F475-Y493 HydrophobicContact CZ-CE2 3.43Å; F475-Y493 VanDerWaalsContact CZ-CE2 3.43Å; F475-Y493 HydrophobicContact CZ-CG 4.22Å; Y477-Y493 HydrophobicContact CD1-CE1 4.49Å; Y477-Y493 HydrophobicContact CD1-CE2 4.01Å; Y477-Y493 AromaticContact CD1-CZ 3.73Å; Y477-Y493 WeakPolarHBondContact CD1-OH 3.17Å; Y477-Y493 HydrophobicContact CE1-CE1 4.15Å; Y477-Y493 HydrophobicContact CE1-CE2 4.39Å; Y477-Y493 AromaticContact CE1-CZ 3.64Å; Y477-Y493 WeakPolarHBondContact CE1-OH 3.08Å; V489-Y493 HydrophobicContact CG2-CE2 4.06Å; V489-Y493 WeakPolarHBondContact O-CD2 3.07Å; V489-Y493 WeakPolarHBondContact O-CE2 3.42Å; D490-Y493 PolarHBondContact O-N 3.01Å; D490-Y493 VanDerWaalsContact O-N 3.13Å; L491-Y493 VanDerWaalsContact C-N 3.29Å; L491-Y493 PolarHBondContact O-N 3.1Å; Y493-F502 HydrophobicContact CD1-CE1 4.37Å; Y493-F502 HydrophobicContact CD1-CE2 4.06Å; Y493-F502 AromaticContact CD1-CZ 3.84Å; Y493-F502 HydrophobicContact CD1-CZ 3.84Å; Y493-F502 HydrophobicContact CE1-CE1 4.19Å; Y493-F502 HydrophobicContact CE1-CZ 4.13Å; Y493-D506 HydrophobicContact CE1-CB 3.94Å; Y493-I509 HydrophobicContact CD1-CG2 4.33Å; Y493-I509 HydrophobicContact CD2-CG2 4.42Å; Y493-I509 HydrophobicContact CG-CG2 4.3Å; Y493-Q510 HydrophobicContact CD1-CB 4.18Å; Y493-Q510 WeakPolarHBondContact O-CG 3.48Å; Y493-Q510 PolarHBondContact O-NE2 3.31Å; Y493-Q510 VanDerWaalsContact O-NE2 3.13Å |
| 494 | A | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -80.9 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N151 D490 L514 L517 | N151-A494 PolarHBondContact ND2-O 3.41Å; D490-A494 PolarHBondContact O-N 3.25Å; A494-L514 HydrophobicContact CB-CD2 4.49Å; A494-L517 HydrophobicContact CB-CD1 4.18Å |
| 495 | L | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -125.8 | 13.6 | -169.4 | -63.4 | 178.3 | 0 | 0 | 0 | 114.3 | F129 F143 F152 F159 L491 L497 | F129-L495 HydrophobicContact CD1-CD1 4.17Å; F129-L495 HydrophobicContact CD2-CD1 4.02Å; F129-L495 HydrophobicContact CE1-CD1 3.75Å; F129-L495 HydrophobicContact CE2-CD1 3.58Å; F129-L495 HydrophobicContact CG-CD1 4.3Å; F129-L495 HydrophobicContact CZ-CD1 3.43Å; F129-L495 VanDerWaalsContact CZ-CD1 3.43Å; F143-L495 HydrophobicContact CD1-CB 3.78Å; F143-L495 HydrophobicContact CD1-CD1 4.02Å; F143-L495 HydrophobicContact CD1-CG 4.44Å; F143-L495 HydrophobicContact CE1-CB 3.85Å; F143-L495 HydrophobicContact CE1-CD1 3.52Å; F143-L495 HydrophobicContact CE1-CG 4.31Å; F143-L495 HydrophobicContact CZ-CD1 3.99Å; F152-L495 HydrophobicContact CD2-CD2 4.41Å; F152-L495 HydrophobicContact CE2-CD2 3.63Å; F152-L495 HydrophobicContact CZ-CD2 4.33Å; F159-L495 HydrophobicContact CE1-CD2 4Å; F159-L495 HydrophobicContact CE2-CD2 4.38Å; F159-L495 HydrophobicContact CZ-CD1 4.48Å; F159-L495 HydrophobicContact CZ-CD2 3.67Å; L491-L495 HydrophobicContact CD2-CD1 4.04Å; L491-L495 CarbonylContact O-C 3.49Å; L491-L495 WeakPolarHBondContact O-CA 3.05Å; L491-L495 PolarHBondContact O-N 3.01Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 2.93Å |
| 496 | G | 89.3 | Confident | 88.5 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 16% | 0.155 | 22% | 0.215 | C | C | . | . | trans | 70.1 | 24.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115 | L491 T492 H498 | L491-G496 PolarHBondContact O-N 3.24Å; T492-G496 WeakPolarHBondContact O-CA 3.29Å; T492-G496 PolarHBondContact O-N 3.22Å; G496-H498 VanDerWaalsContact C-CD2 3.42Å; G496-H498 PolarHBondContact O-CD2 3.49Å; G496-H498 PolarHBondContact O-N 3.24Å | ||
| 497 | L | 86.1 | Confident | 88.9 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | trans | -75.2 | 59.4 | -179.5 | -63.6 | -177.5 | 0 | 0 | 0 | 113.1 | M142 F143 L491 L495 | M142-L497 HydrophobicContact CE-CD1 3.3Å; M142-L497 HydrophobicContact CE-CD2 3.48Å; M142-L497 VanDerWaalsContact CE-CD2 3.48Å; M142-L497 HydrophobicContact CE-CG 4.02Å; M142-L497 HydrophobicContact CG-CD2 4.09Å; F143-L497 HydrophobicContact CD1-CD2 3.72Å; F143-L497 HydrophobicContact CD1-CG 4.28Å; F143-L497 HydrophobicContact CE1-CD1 3.93Å; F143-L497 HydrophobicContact CE1-CD2 3.72Å; F143-L497 HydrophobicContact CE1-CG 3.98Å; L491-L497 HydrophobicContact CB-CD1 3.8Å; L491-L497 HydrophobicContact CD1-CD1 3.86Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 2.93Å | ||
| 498 | H | 81.8 | Confident | 89.3 | Confident | 61 Ų | 61 | 49 Ų | 49 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | trans | -141.9 | 162.9 | 179 | 60 | 97.7 | 0 | 0 | 0 | 112.9 | T492 G496 F500 F502 | T492-H498 HydrophobicContact CG2-CB 3.71Å; G496-H498 VanDerWaalsContact C-CD2 3.42Å; G496-H498 PolarHBondContact O-CD2 3.49Å; G496-H498 PolarHBondContact O-N 3.24Å; H498-F500 HydrophobicContact CB-CD1 4.08Å; H498-F500 HydrophobicContact CB-CD2 4.05Å; H498-F500 HydrophobicContact CB-CE1 3.69Å; H498-F500 HydrophobicContact CB-CE2 3.65Å; H498-F500 HydrophobicContact CB-CG 4.26Å; H498-F500 HydrophobicContact CB-CZ 3.46Å; H498-F500 VanDerWaalsContact CB-CZ 3.46Å; H498-F500 PolarHBondContact CE1-O 3.42Å; H498-F500 VanDerWaalsContact CE1-O 3.27Å; H498-F500 PolarHBondContact ND1-O 2.96Å; H498-F502 AromaticContact CD2-CE1 3.57Å; H498-F502 AromaticContact CD2-CZ 3.46Å; H498-F502 VanDerWaalsContact CD2-CZ 3.46Å; H498-F502 WeakPolarHBondContact CD2-CZ 3.01Å; H498-F502 AromaticContact CE1-CE1 3.71Å; H498-F502 AromaticContact CE1-CZ 3.93Å; H498-F502 AromaticContact CG-CE1 3.74Å; H498-F502 AromaticContact ND1-CE1 3.82Å; H498-F502 AromaticContact NE2-CE1 3.56Å; H498-F502 AromaticContact NE2-CE2 3.84Å; H498-F502 AromaticContact NE2-CZ 3.34Å; H498-F502 VanDerWaalsContact NE2-CZ 3.34Å; H498-F502 WeakPolarHBondContact NE2-CZ 3.28Å | ||
| 499 | K | 73.1 | Confident | 89.6 | Confident | 192 Ų | 192 | 48.8 Ų | 48.8 | 84% | 0.835 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -113.9 | 4.7 | 174.9 | -64 | -174 | 179.2 | -179.2 | 0 | 113.5 | ||
| 500 | F | 79.1 | Confident | 89.9 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 25% | 0.254 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -118.4 | 150.2 | -172.3 | 46.6 | -103.3 | 0 | 0 | 0 | 110.8 | K479 T492 H498 F502 | K479-F500 HydrophobicContact CD-CD2 4.41Å; K479-F500 HydrophobicContact CD-CE1 4.44Å; K479-F500 HydrophobicContact CD-CE2 3.61Å; K479-F500 HydrophobicContact CD-CZ 3.63Å; K479-F500 VanDerWaalsContact CE-CD2 3.48Å; K479-F500 VanDerWaalsContact NZ-CD1 3.28Å; K479-F500 VanDerWaalsContact NZ-CE1 3.26Å; T492-F500 HydrophobicContact CG2-CE2 4.31Å; T492-F500 HydrophobicContact CG2-CZ 4.04Å; H498-F500 HydrophobicContact CB-CD1 4.08Å; H498-F500 HydrophobicContact CB-CD2 4.05Å; H498-F500 HydrophobicContact CB-CE1 3.69Å; H498-F500 HydrophobicContact CB-CE2 3.65Å; H498-F500 HydrophobicContact CB-CG 4.26Å; H498-F500 HydrophobicContact CB-CZ 3.46Å; H498-F500 VanDerWaalsContact CB-CZ 3.46Å; H498-F500 PolarHBondContact CE1-O 3.42Å; H498-F500 VanDerWaalsContact CE1-O 3.27Å; H498-F500 PolarHBondContact ND1-O 2.96Å; F500-F502 HydrophobicContact CD2-CD1 4.26Å; F500-F502 HydrophobicContact CD2-CE1 4.36Å; F500-F502 HydrophobicContact CE2-CD1 4.04Å; F500-F502 AromaticContact CE2-CE1 3.78Å; F500-F502 HydrophobicContact CE2-CE1 3.78Å |
| 501 | P | 84.6 | Confident | 90.2 | Very high | 120 Ų | 120 | 57.3 Ų | 57.3 | 78% | 0.779 | 27% | 0.273 | S | S | * | . | trans | -68.8 | 146.6 | 173.7 | 29.3 | -34.3 | 0 | 0 | 0 | 111.1 | ||||
| 502 | F | 90.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 57.7 Ų | 57.7 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | trans | -79.5 | 130.8 | 171.3 | -74.8 | -10.1 | 0 | 0 | 0 | 111.1 | T492 Y493 H498 F500 D506 K507 Q510 | T492-F502 HydrophobicContact CG2-CE1 3.81Å; T492-F502 HydrophobicContact CG2-CZ 3.85Å; Y493-F502 HydrophobicContact CD1-CE1 4.37Å; Y493-F502 HydrophobicContact CD1-CE2 4.06Å; Y493-F502 AromaticContact CD1-CZ 3.84Å; Y493-F502 HydrophobicContact CD1-CZ 3.84Å; Y493-F502 HydrophobicContact CE1-CE1 4.19Å; Y493-F502 HydrophobicContact CE1-CZ 4.13Å; H498-F502 AromaticContact CD2-CE1 3.57Å; H498-F502 AromaticContact CD2-CZ 3.46Å; H498-F502 VanDerWaalsContact CD2-CZ 3.46Å; H498-F502 WeakPolarHBondContact CD2-CZ 3.01Å; H498-F502 AromaticContact CE1-CE1 3.71Å; H498-F502 AromaticContact CE1-CZ 3.93Å; H498-F502 AromaticContact CG-CE1 3.74Å; H498-F502 AromaticContact ND1-CE1 3.82Å; H498-F502 AromaticContact NE2-CE1 3.56Å; H498-F502 AromaticContact NE2-CE2 3.84Å; H498-F502 AromaticContact NE2-CZ 3.34Å; H498-F502 VanDerWaalsContact NE2-CZ 3.34Å; H498-F502 WeakPolarHBondContact NE2-CZ 3.28Å; F500-F502 HydrophobicContact CD2-CD1 4.26Å; F500-F502 HydrophobicContact CD2-CE1 4.36Å; F500-F502 HydrophobicContact CE2-CD1 4.04Å; F500-F502 AromaticContact CE2-CE1 3.78Å; F500-F502 HydrophobicContact CE2-CE1 3.78Å; F502-D506 HydrophobicContact CB-CB 3.68Å; F502-D506 HydrophobicContact CD1-CB 3.9Å; F502-D506 HydrophobicContact CD2-CB 4.44Å; F502-D506 HydrophobicContact CG-CB 3.77Å; F502-K507 HydrophobicContact CB-CG 3.98Å; F502-Q510 HydrophobicContact CE2-CB 4.32Å; F502-Q510 HydrophobicContact CE2-CG 4.46Å | ||
| 503 | N | 92 | Very high | 90.8 | Very high | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -78.5 | 178.1 | 167.3 | 68.4 | 30.4 | 0 | 0 | 0 | 110.5 | S480 R505 D506 K507 | S480-N503 PolarHBondContact OG-ND2 3.36Å; N503-R505 PolarHBondContact O-N 2.89Å; N503-R505 WeakPolarHBondContact OD1-CA 3.39Å; N503-R505 VanDerWaalsContact OD1-CB 3.3Å; N503-R505 WeakPolarHBondContact OD1-CB 3.45Å; N503-R505 PolarHBondContact OD1-N 3.18Å; N503-D506 PolarHBondContact N-OD2 3.45Å; N503-D506 PolarHBondContact O-N 3.49Å; N503-D506 VanDerWaalsContact OD1-CG 3.24Å; N503-D506 PolarHBondContact OD1-N 2.91Å; N503-D506 PolarHBondContact OD1-OD2 3.44Å; N503-K507 WeakPolarHBondContact O-CG 3.07Å; N503-K507 PolarHBondContact O-N 3.25Å | ||
| 504 | E | 92.2 | Very high | 91 | Very high | 138 Ų | 138 | 58 Ų | 58 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -31.3 | -178.4 | -65.1 | -53.5 | 123.8 | 0 | 0 | 113.7 | K507 K508 | E504-K507 IonicContact OE1-NZ 3.92Å; E504-K507 PolarHBondContact OE1-NZ 3.09Å; E504-K508 PolarHBondContact O-N 3.33Å |
| 505 | R | 92.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 60 Ų | 60 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.4 | -46.4 | 177.2 | -166 | -174 | 170.1 | -115.1 | 0.6 | 110.7 | Y477 V478 N503 K507 K508 I509 D551 D552 | Y477-R505 HydrophobicContact CE2-CG 3.7Å; Y477-R505 VanDerWaalsContact CE2-NE 3.32Å; Y477-R505 WeakPolarHBondContact OH-CD 3.27Å; Y477-R505 VanDerWaalsContact OH-CG 3.3Å; Y477-R505 WeakPolarHBondContact OH-CG 3.47Å; Y477-R505 PolarHBondContact OH-NH1 3.22Å; V478-R505 PolarHBondContact O-NH1 2.92Å; N503-R505 PolarHBondContact O-N 2.89Å; N503-R505 WeakPolarHBondContact OD1-CA 3.39Å; N503-R505 VanDerWaalsContact OD1-CB 3.3Å; N503-R505 WeakPolarHBondContact OD1-CB 3.45Å; N503-R505 PolarHBondContact OD1-N 3.18Å; R505-K507 PolarHBondContact O-N 3.4Å; R505-K508 WeakPolarHBondContact O-CB 3.48Å; R505-K508 PolarHBondContact O-N 3.09Å; R505-I509 WeakPolarHBondContact O-CG1 3.48Å; R505-I509 PolarHBondContact O-N 2.87Å; R505-I509 VanDerWaalsContact O-N 3.07Å; R505-D551 IonicContact NH2-OD1 3.34Å; R505-D552 WeakPolarHBondContact CD-OD1 3.29Å; R505-D552 WeakPolarHBondContact CG-OD1 3.09Å; R505-D552 IonicContact CZ-OD1 3.69Å; R505-D552 IonicContact CZ-OD2 3.21Å; R505-D552 IonicContact NE-OD1 3.75Å; R505-D552 PolarHBondContact NE-OD1 3.29Å; R505-D552 IonicContact NE-OD2 3.89Å; R505-D552 PolarHBondContact NE-OD2 3.16Å; R505-D552 IonicContact NH2-OD1 2.8Å; R505-D552 IonicContact NH2-OD2 3.99Å; R505-D552 PolarHBondContact NH2-OD2 3.33Å |
| 506 | D | 93.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.5 | -64.2 | -27.7 | 0 | 0 | 0 | 111.3 | Y477 Y493 F502 N503 K508 I509 Q510 | Y477-D506 WeakPolarHBondContact CE1-OD1 3.28Å; Y477-D506 PolarHBondContact OH-N 3.29Å; Y477-D506 PolarHBondContact OH-OD1 2.79Å; Y493-D506 HydrophobicContact CE1-CB 3.94Å; F502-D506 HydrophobicContact CB-CB 3.68Å; F502-D506 HydrophobicContact CD1-CB 3.9Å; F502-D506 HydrophobicContact CD2-CB 4.44Å; F502-D506 HydrophobicContact CG-CB 3.77Å; N503-D506 PolarHBondContact N-OD2 3.45Å; N503-D506 PolarHBondContact O-N 3.49Å; N503-D506 VanDerWaalsContact OD1-CG 3.24Å; N503-D506 PolarHBondContact OD1-N 2.91Å; N503-D506 PolarHBondContact OD1-OD2 3.44Å; D506-K508 PolarHBondContact O-N 3.45Å; D506-I509 PolarHBondContact O-N 3.19Å; D506-Q510 WeakPolarHBondContact O-CB 3.47Å; D506-Q510 PolarHBondContact O-N 3.19Å |
| 507 | K | 94.1 | Very high | 91.8 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 176.1 | -69.7 | 175.5 | -170.2 | 169.6 | 0 | 112.5 | F502 N503 E504 R505 I509 Q510 K511 | F502-K507 HydrophobicContact CB-CG 3.98Å; N503-K507 WeakPolarHBondContact O-CG 3.07Å; N503-K507 PolarHBondContact O-N 3.25Å; E504-K507 IonicContact OE1-NZ 3.92Å; E504-K507 PolarHBondContact OE1-NZ 3.09Å; R505-K507 PolarHBondContact O-N 3.4Å; K507-I509 VanDerWaalsContact C-N 3.34Å; K507-Q510 PolarHBondContact O-N 3.22Å; K507-K511 WeakPolarHBondContact O-CB 3.32Å; K507-K511 PolarHBondContact O-N 2.83Å |
| 508 | K | 94.8 | Very high | 92.4 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.4 | -173.1 | -174.1 | 177.5 | -161.9 | 0 | 110.8 | E504 R505 D506 K511 V512 D552 | E504-K508 PolarHBondContact O-N 3.33Å; R505-K508 WeakPolarHBondContact O-CB 3.48Å; R505-K508 PolarHBondContact O-N 3.09Å; D506-K508 PolarHBondContact O-N 3.45Å; K508-K511 PolarHBondContact O-N 2.65Å; K508-V512 WeakPolarHBondContact O-CG2 3.37Å; K508-V512 PolarHBondContact O-N 3.11Å; K508-D552 PolarHBondContact NZ-O 3.47Å |
| 509 | I | 95 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.7 | -67.3 | -58.5 | 0 | 0 | 0 | 112 | F475 Y477 Y493 R505 D506 K507 K511 V512 I513 D551 | F475-I509 HydrophobicContact CE2-CG2 3.91Å; F475-I509 HydrophobicContact CZ-CG2 3.63Å; Y477-I509 HydrophobicContact CD1-CB 4.45Å; Y477-I509 HydrophobicContact CD1-CG1 4.22Å; Y477-I509 HydrophobicContact CD1-CG2 4.07Å; Y477-I509 HydrophobicContact CD2-CB 4.5Å; Y477-I509 HydrophobicContact CD2-CD1 3.89Å; Y477-I509 HydrophobicContact CD2-CG1 3.47Å; Y477-I509 VanDerWaalsContact CD2-CG1 3.47Å; Y477-I509 HydrophobicContact CE1-CG1 4.31Å; Y477-I509 HydrophobicContact CE2-CB 4.5Å; Y477-I509 HydrophobicContact CE2-CD1 4.26Å; Y477-I509 HydrophobicContact CE2-CG1 3.47Å; Y477-I509 VanDerWaalsContact CE2-CG1 3.47Å; Y477-I509 HydrophobicContact CG-CB 4.42Å; Y477-I509 HydrophobicContact CG-CD1 4.34Å; Y477-I509 HydrophobicContact CG-CG1 3.81Å; Y477-I509 HydrophobicContact CG-CG2 4.06Å; Y493-I509 HydrophobicContact CD1-CG2 4.33Å; Y493-I509 HydrophobicContact CD2-CG2 4.42Å; Y493-I509 HydrophobicContact CG-CG2 4.3Å; R505-I509 WeakPolarHBondContact O-CG1 3.48Å; R505-I509 PolarHBondContact O-N 2.87Å; R505-I509 VanDerWaalsContact O-N 3.07Å; D506-I509 PolarHBondContact O-N 3.19Å; K507-I509 VanDerWaalsContact C-N 3.34Å; I509-K511 VanDerWaalsContact C-N 3.31Å; I509-K511 PolarHBondContact O-N 2.86Å; I509-V512 PolarHBondContact O-N 2.95Å; I509-V512 VanDerWaalsContact O-N 3.12Å; I509-I513 WeakPolarHBondContact O-CG2 3.26Å; I509-I513 PolarHBondContact O-N 3.46Å; I509-D551 VanDerWaalsContact CD1-O 3.26Å; I509-D551 WeakPolarHBondContact CD1-O 3.43Å |
| 510 | Q | 95.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.8 | -49.5 | 172.1 | 173.6 | 171.7 | 51.1 | 0 | 0 | 111.3 | Y493 F502 D506 K507 V512 I513 L514 | Y493-Q510 HydrophobicContact CD1-CB 4.18Å; Y493-Q510 WeakPolarHBondContact O-CG 3.48Å; Y493-Q510 PolarHBondContact O-NE2 3.31Å; Y493-Q510 VanDerWaalsContact O-NE2 3.13Å; F502-Q510 HydrophobicContact CE2-CB 4.32Å; F502-Q510 HydrophobicContact CE2-CG 4.46Å; D506-Q510 WeakPolarHBondContact O-CB 3.47Å; D506-Q510 PolarHBondContact O-N 3.19Å; K507-Q510 PolarHBondContact O-N 3.22Å; Q510-V512 VanDerWaalsContact C-N 3.3Å; Q510-V512 PolarHBondContact O-N 2.72Å; Q510-I513 WeakPolarHBondContact O-CG2 3Å; Q510-I513 PolarHBondContact O-N 2.83Å; Q510-L514 HydrophobicContact CG-CD1 3.57Å; Q510-L514 HydrophobicContact CG-CG 4.24Å; Q510-L514 WeakPolarHBondContact O-CB 3.33Å; Q510-L514 VanDerWaalsContact O-CG 3.25Å; Q510-L514 WeakPolarHBondContact O-CG 3.2Å; Q510-L514 PolarHBondContact O-N 2.77Å |
| 511 | K | 96.3 | Very high | 95.4 | Very high | 155 Ų | 155 | 45 Ų | 45 | 67% | 0.674 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58 | -43.5 | 177.1 | -174.7 | 175 | -177.9 | 174 | 0 | 111.7 | K507 K508 I509 T515 | K507-K511 WeakPolarHBondContact O-CB 3.32Å; K507-K511 PolarHBondContact O-N 2.83Å; K508-K511 PolarHBondContact O-N 2.65Å; I509-K511 VanDerWaalsContact C-N 3.31Å; I509-K511 PolarHBondContact O-N 2.86Å; K511-T515 WeakPolarHBondContact O-CB 3.34Å; K511-T515 PolarHBondContact O-N 3.06Å; K511-T515 PolarHBondContact O-OG1 2.96Å |
| 512 | V | 97.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -54.1 | -180 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K508 I509 Q510 L514 T515 L516 L554 | K508-V512 WeakPolarHBondContact O-CG2 3.37Å; K508-V512 PolarHBondContact O-N 3.11Å; I509-V512 PolarHBondContact O-N 2.95Å; I509-V512 VanDerWaalsContact O-N 3.12Å; Q510-V512 VanDerWaalsContact C-N 3.3Å; Q510-V512 PolarHBondContact O-N 2.72Å; V512-L514 PolarHBondContact O-N 3.11Å; V512-T515 PolarHBondContact O-N 3.46Å; V512-L516 HydrophobicContact CG1-CD1 3.78Å; V512-L516 HydrophobicContact CG1-CG 4.44Å; V512-L516 VanDerWaalsContact O-CG 3.24Å; V512-L516 WeakPolarHBondContact O-CG 3.42Å; V512-L516 PolarHBondContact O-N 3.23Å; V512-L554 HydrophobicContact CG1-CD1 3.95Å; V512-L554 HydrophobicContact CG1-CD2 4.01Å |
| 513 | I | 96.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | -177.1 | -169.4 | 172.2 | 0 | 0 | 0 | 111.9 | F475 D490 I509 Q510 L516 L517 | F475-I513 HydrophobicContact CD2-CD1 3.86Å; F475-I513 HydrophobicContact CE2-CD1 3.8Å; D490-I513 HydrophobicContact CB-CD1 4.12Å; I509-I513 WeakPolarHBondContact O-CG2 3.26Å; I509-I513 PolarHBondContact O-N 3.46Å; Q510-I513 WeakPolarHBondContact O-CG2 3Å; Q510-I513 PolarHBondContact O-N 2.83Å; I513-L516 PolarHBondContact O-N 2.7Å; I513-L517 HydrophobicContact CG1-CD1 3.99Å; I513-L517 HydrophobicContact CG1-CG 4.34Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.44Å; I513-L517 PolarHBondContact O-N 2.99Å |
| 514 | L | 98 | Very high | 96.7 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -48 | 176.3 | -70.8 | 174.8 | 0 | 0 | 0 | 111.4 | N151 F152 A494 Q510 V512 L516 L517 I518 | N151-L514 HydrophobicContact CB-CD1 3.89Å; N151-L514 HydrophobicContact CB-CD2 3.71Å; N151-L514 HydrophobicContact CB-CG 4.47Å; N151-L514 VanDerWaalsContact CG-CD1 3.44Å; N151-L514 WeakPolarHBondContact OD1-CD1 3.48Å; F152-L514 HydrophobicContact CE2-CD2 4.31Å; F152-L514 HydrophobicContact CZ-CD2 4.2Å; A494-L514 HydrophobicContact CB-CD2 4.49Å; Q510-L514 HydrophobicContact CG-CD1 3.57Å; Q510-L514 HydrophobicContact CG-CG 4.24Å; Q510-L514 WeakPolarHBondContact O-CB 3.33Å; Q510-L514 VanDerWaalsContact O-CG 3.25Å; Q510-L514 WeakPolarHBondContact O-CG 3.2Å; Q510-L514 PolarHBondContact O-N 2.77Å; V512-L514 PolarHBondContact O-N 3.11Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 2.68Å; L514-L517 PolarHBondContact O-N 3.43Å; L514-I518 HydrophobicContact CB-CD1 4.17Å; L514-I518 WeakPolarHBondContact O-CB 3.34Å; L514-I518 VanDerWaalsContact O-CD1 3.3Å; L514-I518 WeakPolarHBondContact O-CD1 3.31Å; L514-I518 WeakPolarHBondContact O-CG1 3.06Å; L514-I518 PolarHBondContact O-N 2.85Å |
| 515 | T | 98.2 | Very high | 97 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56.4 | -44.9 | 178.5 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | K511 V512 N519 I531 | K511-T515 WeakPolarHBondContact O-CB 3.34Å; K511-T515 PolarHBondContact O-N 3.06Å; K511-T515 PolarHBondContact O-OG1 2.96Å; V512-T515 PolarHBondContact O-N 3.46Å; T515-N519 VanDerWaalsContact O-CB 3.22Å; T515-N519 WeakPolarHBondContact O-CB 3.06Å; T515-N519 PolarHBondContact O-N 3.41Å; T515-N519 PolarHBondContact O-ND2 3.43Å; T515-I531 HydrophobicContact CG2-CD1 3.52Å; T515-I531 HydrophobicContact CG2-CG1 4.31Å |
| 516 | L | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 179.1 | -65.8 | 164.6 | 0 | 0 | 0 | 111.8 | V512 I513 L514 F520 P526 T527 I531 W536 L548 I550 | V512-L516 HydrophobicContact CG1-CD1 3.78Å; V512-L516 HydrophobicContact CG1-CG 4.44Å; V512-L516 VanDerWaalsContact O-CG 3.24Å; V512-L516 WeakPolarHBondContact O-CG 3.42Å; V512-L516 PolarHBondContact O-N 3.23Å; I513-L516 PolarHBondContact O-N 2.7Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 2.68Å; L516-F520 PolarHBondContact O-N 3.21Å; L516-F520 VanDerWaalsContact O-N 3.13Å; L516-P526 HydrophobicContact CB-CB 4.35Å; L516-P526 HydrophobicContact CD2-CB 4.26Å; L516-P526 WeakPolarHBondContact O-CA 3.41Å; L516-P526 WeakPolarHBondContact O-CB 3.26Å; L516-T527 HydrophobicContact CD2-CG2 3.71Å; L516-I531 HydrophobicContact CD2-CD1 3.63Å; L516-I531 HydrophobicContact CG-CD1 4.08Å; L516-W536 HydrophobicContact CB-CZ3 4.07Å; L516-W536 HydrophobicContact CD1-CE3 4.44Å; L516-W536 HydrophobicContact CD1-CZ3 4.1Å; L516-W536 HydrophobicContact CD2-CE3 3.75Å; L516-W536 HydrophobicContact CD2-CZ3 4.1Å; L516-W536 HydrophobicContact CG-CE3 4.46Å; L516-W536 HydrophobicContact CG-CZ3 4.32Å; L516-L548 HydrophobicContact CD1-CD2 3.86Å; L516-L548 HydrophobicContact CD2-CD2 4.15Å; L516-I550 HydrophobicContact CD1-CD1 4.09Å; L516-I550 HydrophobicContact CD1-CG1 4.46Å |
| 517 | L | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -46.5 | -179.8 | -68.2 | 173.5 | 0 | 0 | 0 | 111.8 | M212 I238 L366 A494 I513 L514 F520 V521 | M212-L517 HydrophobicContact CE-CD1 4.1Å; M212-L517 HydrophobicContact CE-CD2 4.49Å; I238-L517 HydrophobicContact CD1-CD2 4.24Å; I238-L517 HydrophobicContact CG2-CD2 4.11Å; L366-L517 HydrophobicContact CD1-CD2 4.43Å; L366-L517 HydrophobicContact CD2-CD2 4.28Å; A494-L517 HydrophobicContact CB-CD1 4.18Å; I513-L517 HydrophobicContact CG1-CD1 3.99Å; I513-L517 HydrophobicContact CG1-CG 4.34Å; I513-L517 VanDerWaalsContact O-CG 3.28Å; I513-L517 WeakPolarHBondContact O-CG 3.44Å; I513-L517 PolarHBondContact O-N 2.99Å; L514-L517 PolarHBondContact O-N 3.43Å; L517-F520 PolarHBondContact O-N 3.05Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.22Å |
| 518 | I | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 179.5 | -66.4 | 158.1 | 0 | 0 | 0 | 110.7 | N151 E155 V157 L514 F520 V521 K522 | N151-I518 WeakPolarHBondContact O-CD1 3.18Å; E155-I518 HydrophobicContact CB-CD1 3.83Å; E155-I518 HydrophobicContact CB-CG1 4.38Å; E155-I518 HydrophobicContact CB-CG2 4.18Å; E155-I518 HydrophobicContact CG-CD1 3.69Å; V157-I518 HydrophobicContact CG2-CG2 4.25Å; L514-I518 HydrophobicContact CB-CD1 4.17Å; L514-I518 WeakPolarHBondContact O-CB 3.34Å; L514-I518 VanDerWaalsContact O-CD1 3.3Å; L514-I518 WeakPolarHBondContact O-CD1 3.31Å; L514-I518 WeakPolarHBondContact O-CG1 3.06Å; L514-I518 PolarHBondContact O-N 2.85Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.38Å; I518-V521 PolarHBondContact O-N 3.39Å; I518-K522 HydrophobicContact CG2-CD 3.96Å; I518-K522 HydrophobicContact CG2-CG 4.43Å; I518-K522 WeakPolarHBondContact O-CB 3.4Å; I518-K522 WeakPolarHBondContact O-CG 3.02Å; I518-K522 PolarHBondContact O-N 3.48Å |
| 519 | N | 98.7 | Very high | 97.8 | Very high | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.9 | -78.3 | -15.3 | 0 | 0 | 0 | 111.5 | T515 K522 N523 D525 P526 P528 | T515-N519 VanDerWaalsContact O-CB 3.22Å; T515-N519 WeakPolarHBondContact O-CB 3.06Å; T515-N519 PolarHBondContact O-N 3.41Å; T515-N519 PolarHBondContact O-ND2 3.43Å; N519-K522 PolarHBondContact O-N 2.95Å; N519-N523 WeakPolarHBondContact O-CB 3.47Å; N519-N523 PolarHBondContact O-N 3.26Å; N519-N523 PolarHBondContact O-ND2 3.35Å; N519-N523 VanDerWaalsContact O-ND2 3.12Å; N519-D525 CarbonylContact C-O 3.13Å; N519-D525 WeakPolarHBondContact CB-O 3.44Å; N519-D525 VanDerWaalsContact O-O 3.07Å; N519-P526 VanDerWaalsContact CB-O 3.3Å; N519-P526 WeakPolarHBondContact CB-O 3.01Å; N519-P526 PolarHBondContact ND2-O 3.5Å; N519-P526 VanDerWaalsContact ND2-O 3.09Å; N519-P528 HydrophobicContact CB-CG 4.3Å |
| 520 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.3 | -179.8 | -99.1 | 0 | 0 | 0 | 111.5 | Q236 I238 P364 L366 Y471 L516 L517 I518 K522 N523 S524 D525 P526 | Q236-F520 HydrophobicContact CB-CE1 4.36Å; Q236-F520 HydrophobicContact CB-CZ 4.3Å; Q236-F520 HydrophobicContact CG-CE1 4.33Å; Q236-F520 PolarHBondContact NE2-O 2.81Å; Q236-F520 VanDerWaalsContact OE1-CE1 3.24Å; Q236-F520 VanDerWaalsContact OE1-CZ 3.27Å; Q236-F520 PolarHBondContact OE1-O 3.46Å; I238-F520 HydrophobicContact CD1-CD1 3.85Å; I238-F520 HydrophobicContact CD1-CE1 4.29Å; I238-F520 HydrophobicContact CG1-CD1 3.67Å; I238-F520 HydrophobicContact CG1-CE1 3.63Å; P364-F520 HydrophobicContact CB-CE2 3.99Å; P364-F520 HydrophobicContact CB-CZ 3.92Å; L366-F520 HydrophobicContact CB-CD1 3.94Å; L366-F520 HydrophobicContact CB-CD2 4.17Å; L366-F520 HydrophobicContact CB-CE1 3.74Å; L366-F520 HydrophobicContact CB-CE2 4Å; L366-F520 HydrophobicContact CB-CG 4.14Å; L366-F520 HydrophobicContact CB-CZ 3.77Å; L366-F520 HydrophobicContact CD1-CB 3.84Å; L366-F520 HydrophobicContact CD1-CD1 4.07Å; L366-F520 HydrophobicContact CD1-CD2 4.09Å; L366-F520 HydrophobicContact CD1-CG 3.72Å; Y471-F520 HydrophobicContact CD2-CD2 4.02Å; Y471-F520 AromaticContact CD2-CE2 3.84Å; Y471-F520 HydrophobicContact CD2-CE2 3.84Å; Y471-F520 HydrophobicContact CE2-CD2 4.24Å; Y471-F520 HydrophobicContact CE2-CE2 4.13Å; L516-F520 PolarHBondContact O-N 3.21Å; L516-F520 VanDerWaalsContact O-N 3.13Å; L517-F520 PolarHBondContact O-N 3.05Å; I518-F520 VanDerWaalsContact C-N 3.31Å; I518-F520 PolarHBondContact O-N 3.38Å; F520-K522 PolarHBondContact O-N 3.4Å; F520-N523 PolarHBondContact O-N 3.14Å; F520-S524 VanDerWaalsContact O-CA 3.25Å; F520-S524 WeakPolarHBondContact O-CA 3.49Å; F520-S524 PolarHBondContact O-N 3.31Å; F520-D525 PolarHBondContact N-O 3.31Å; F520-P526 HydrophobicContact CB-CB 4.21Å |
| 521 | V | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57 | -39.5 | 176.2 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | P125 V127 V157 T210 Q236 I238 L517 I518 | P125-V521 HydrophobicContact CB-CG1 3.96Å; P125-V521 HydrophobicContact CG-CG1 4.13Å; V127-V521 HydrophobicContact CG2-CB 4.27Å; V127-V521 HydrophobicContact CG2-CG1 3.66Å; V127-V521 HydrophobicContact CG2-CG2 3.53Å; V157-V521 HydrophobicContact CG1-CG1 3.91Å; V157-V521 HydrophobicContact CG2-CG1 4.12Å; T210-V521 HydrophobicContact CG2-CG2 4.23Å; Q236-V521 PolarHBondContact NE2-O 3.1Å; Q236-V521 VanDerWaalsContact NE2-O 3.08Å; I238-V521 HydrophobicContact CD1-CG2 3.86Å; L517-V521 VanDerWaalsContact O-CG2 3.3Å; L517-V521 WeakPolarHBondContact O-CG2 3.34Å; L517-V521 PolarHBondContact O-N 3.22Å; I518-V521 PolarHBondContact O-N 3.39Å |
| 522 | K | 98.4 | Very high | 97.7 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 24% | 0.235 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.3 | -39.6 | -178.2 | -74.1 | -178.9 | 176 | -176.4 | 0 | 113.7 | P125 E155 D156 I518 N519 F520 | P125-K522 HydrophobicContact CG-CG 4.03Å; E155-K522 WeakPolarHBondContact O-CE 3.17Å; E155-K522 PolarHBondContact O-NZ 3Å; D156-K522 IonicContact OD2-NZ 2.77Å; I518-K522 HydrophobicContact CG2-CD 3.96Å; I518-K522 HydrophobicContact CG2-CG 4.43Å; I518-K522 WeakPolarHBondContact O-CB 3.4Å; I518-K522 WeakPolarHBondContact O-CG 3.02Å; I518-K522 PolarHBondContact O-N 3.48Å; N519-K522 PolarHBondContact O-N 2.95Å; F520-K522 PolarHBondContact O-N 3.4Å |
| 523 | N | 98 | Very high | 97.6 | Very high | 89 Ų | 89 | 38.4 Ų | 38.4 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -127.7 | -1.7 | -162.6 | -51.6 | -66.8 | 0 | 0 | 0 | 114.5 | N519 F520 D525 | N519-N523 WeakPolarHBondContact O-CB 3.47Å; N519-N523 PolarHBondContact O-N 3.26Å; N519-N523 PolarHBondContact O-ND2 3.35Å; N519-N523 VanDerWaalsContact O-ND2 3.12Å; F520-N523 PolarHBondContact O-N 3.14Å; N523-D525 PolarHBondContact O-N 3.5Å; N523-D525 VanDerWaalsContact O-N 3.1Å |
| 524 | S | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 58.2 | 17.6 | -170 | -52.4 | 0 | 0 | 0 | 0 | 113.8 | Q236 Y471 F520 | Q236-S524 PolarHBondContact OE1-OG 3.45Å; Y471-S524 WeakPolarHBondContact CE2-O 2.95Å; F520-S524 VanDerWaalsContact O-CA 3.25Å; F520-S524 WeakPolarHBondContact O-CA 3.49Å; F520-S524 PolarHBondContact O-N 3.31Å |
| 525 | D | 98.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | trans | -138.9 | 121.3 | 177.9 | 179.1 | -9.6 | 0 | 0 | 0 | 107.5 | N519 F520 N523 T527 P528 | N519-D525 CarbonylContact C-O 3.13Å; N519-D525 WeakPolarHBondContact CB-O 3.44Å; N519-D525 VanDerWaalsContact O-O 3.07Å; F520-D525 PolarHBondContact N-O 3.31Å; N523-D525 PolarHBondContact O-N 3.5Å; N523-D525 VanDerWaalsContact O-N 3.1Å; D525-T527 VanDerWaalsContact C-N 3.29Å; D525-T527 PolarHBondContact O-N 2.95Å; D525-T527 VanDerWaalsContact OD1-C 3.28Å; D525-T527 WeakPolarHBondContact OD1-CA 3.42Å; D525-T527 PolarHBondContact OD1-N 3.13Å; D525-P528 WeakPolarHBondContact O-CD 3.43Å | ||
| 526 | P | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -74.8 | -16.6 | 179.6 | 31.1 | -34.7 | 0 | 0 | 0 | 113.5 | L366 Y471 L516 N519 F520 W536 | L366-P526 HydrophobicContact CD1-CB 4.39Å; Y471-P526 HydrophobicContact CD1-CG 3.64Å; Y471-P526 HydrophobicContact CD2-CG 4.25Å; Y471-P526 VanDerWaalsContact CE1-CD 3.49Å; Y471-P526 HydrophobicContact CE1-CG 3.84Å; Y471-P526 HydrophobicContact CE2-CG 4.41Å; Y471-P526 HydrophobicContact CG-CG 3.85Å; L516-P526 HydrophobicContact CB-CB 4.35Å; L516-P526 HydrophobicContact CD2-CB 4.26Å; L516-P526 WeakPolarHBondContact O-CA 3.41Å; L516-P526 WeakPolarHBondContact O-CB 3.26Å; N519-P526 VanDerWaalsContact CB-O 3.3Å; N519-P526 WeakPolarHBondContact CB-O 3.01Å; N519-P526 PolarHBondContact ND2-O 3.5Å; N519-P526 VanDerWaalsContact ND2-O 3.09Å; F520-P526 HydrophobicContact CB-CB 4.21Å; P526-W536 HydrophobicContact CB-CD2 4.36Å; P526-W536 HydrophobicContact CB-CE3 3.49Å; P526-W536 VanDerWaalsContact CB-CE3 3.49Å; P526-W536 HydrophobicContact CB-CZ3 3.92Å; P526-W536 HydrophobicContact CG-CB 3.96Å; P526-W536 HydrophobicContact CG-CD2 3.7Å; P526-W536 HydrophobicContact CG-CE3 3.33Å; P526-W536 HydrophobicContact CG-CG 3.99Å; P526-W536 HydrophobicContact CG-CZ3 4.08Å |
| 527 | T | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -134.4 | 58.1 | -178.8 | 55 | 0 | 0 | 0 | 0 | 112.7 | L516 D525 I529 I531 W536 | L516-T527 HydrophobicContact CD2-CG2 3.71Å; D525-T527 VanDerWaalsContact C-N 3.29Å; D525-T527 PolarHBondContact O-N 2.95Å; D525-T527 VanDerWaalsContact OD1-C 3.28Å; D525-T527 WeakPolarHBondContact OD1-CA 3.42Å; D525-T527 PolarHBondContact OD1-N 3.13Å; T527-I529 CarbonylContact C-O 3.46Å; T527-I529 PolarHBondContact O-N 2.98Å; T527-I529 VanDerWaalsContact O-N 3.13Å; T527-I531 HydrophobicContact CG2-CD1 4.17Å; T527-I531 HydrophobicContact CG2-CG1 4.33Å; T527-W536 HydrophobicContact CG2-CB 3.82Å; T527-W536 PolarHBondContact OG1-N 3.44Å | ||
| 528 | P | 97.6 | Very high | 97.3 | Very high | 64 Ų | 64 | 48.3 Ų | 48.3 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -59.8 | -27.3 | 174.7 | 28.1 | -35.8 | 0 | 0 | 0 | 111.1 | N519 D525 | N519-P528 HydrophobicContact CB-CG 4.3Å; D525-P528 WeakPolarHBondContact O-CD 3.43Å |
| 529 | I | 96.4 | Very high | 97 | Very high | 130 Ų | 130 | 48.2 Ų | 48.2 | 67% | 0.667 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -121.9 | 136.2 | 164.4 | -57.4 | 170.6 | 0 | 0 | 0 | 106.8 | T527 I531 | T527-I529 CarbonylContact C-O 3.46Å; T527-I529 PolarHBondContact O-N 2.98Å; T527-I529 VanDerWaalsContact O-N 3.13Å; I529-I531 PolarHBondContact O-N 2.79Å |
| 530 | P | 97.5 | Very high | 96 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | trans | -56.4 | 134.6 | 179 | -24.8 | 33 | 0 | 0 | 0 | 112.8 | V534 | P530-V534 WeakPolarHBondContact CA-O 3.39Š| ||
| 531 | I | 96 | Very high | 94.7 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -102.2 | 120.9 | 178.7 | -63.1 | 172.7 | 0 | 0 | 0 | 108.2 | T515 L516 T527 I529 G533 V534 L554 | T515-I531 HydrophobicContact CG2-CD1 3.52Å; T515-I531 HydrophobicContact CG2-CG1 4.31Å; L516-I531 HydrophobicContact CD2-CD1 3.63Å; L516-I531 HydrophobicContact CG-CD1 4.08Å; T527-I531 HydrophobicContact CG2-CD1 4.17Å; T527-I531 HydrophobicContact CG2-CG1 4.33Å; I529-I531 PolarHBondContact O-N 2.79Å; I531-G533 PolarHBondContact O-N 3.26Å; I531-V534 PolarHBondContact N-O 2.8Å; I531-V534 WeakPolarHBondContact O-CB 3.29Å; I531-V534 PolarHBondContact O-N 3.19Å; I531-L554 HydrophobicContact CB-CD2 4.27Å; I531-L554 HydrophobicContact CG2-CD2 4.06Å |
| 532 | S | 92.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 57 Ų | 57 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.9 | -173.3 | -53 | 0 | 0 | 0 | 0 | 113.2 | V534 | S532-V534 PolarHBondContact O-N 3.05Š|
| 533 | G | 94.6 | Very high | 90.7 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 5.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | I531 | I531-G533 PolarHBondContact O-N 3.26Š|
| 534 | V | 97.6 | Very high | 89.1 | Confident | 24 Ų | 24 | 56 Ų | 56 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -105.4 | 128.4 | -180 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | P530 I531 S532 L548 L554 M556 | P530-V534 WeakPolarHBondContact CA-O 3.39Å; I531-V534 PolarHBondContact N-O 2.8Å; I531-V534 WeakPolarHBondContact O-CB 3.29Å; I531-V534 PolarHBondContact O-N 3.19Å; S532-V534 PolarHBondContact O-N 3.05Å; V534-L548 HydrophobicContact CG1-CD1 4.02Å; V534-L554 HydrophobicContact CB-CD2 4.27Å; V534-L554 HydrophobicContact CB-CG 4.44Å; V534-L554 WeakPolarHBondContact CG2-O 3.36Å; V534-M556 HydrophobicContact CG1-CG 4.28Å |
| 535 | T | 97.7 | Very high | 88.3 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | trans | -98.9 | 125 | 165.5 | -56.8 | 0 | 0 | 0 | 0 | 108.2 | K537 | T535-K537 PolarHBondContact O-N 2.95Š| ||
| 536 | W | 97 | Very high | 88 | Confident | 6 Ų | 6 | 53 Ų | 53 | 2% | 0.023 | 33% | 0.329 | C | S | . | . | trans | -76.1 | 105.4 | 175.9 | -168.8 | -15 | 0 | 0 | 0 | 108.6 | L366 Y471 L472 Y473 L516 P526 T527 L548 M556 | L366-W536 HydrophobicContact CD1-CH2 4.08Å; L366-W536 HydrophobicContact CD1-CZ3 4.14Å; L366-W536 HydrophobicContact CD2-CH2 4.19Å; L366-W536 HydrophobicContact CG-CH2 4.1Å; Y471-W536 HydrophobicContact CD1-CB 4.42Å; Y471-W536 AromaticContact CD1-CD1 3.76Å; Y471-W536 HydrophobicContact CD1-CD2 4.17Å; Y471-W536 AromaticContact CD1-CG 3.86Å; Y471-W536 HydrophobicContact CD1-CG 3.86Å; Y471-W536 WeakPolarHBondContact CE1-O 3.49Å; L472-W536 WeakPolarHBondContact O-CZ2 3.41Å; L472-W536 PolarHBondContact O-NE1 3.42Å; Y473-W536 AromaticContact CD1-CH2 3.89Å; Y473-W536 HydrophobicContact CD1-CH2 3.89Å; Y473-W536 HydrophobicContact CD1-CZ2 4.2Å; Y473-W536 HydrophobicContact CG-CH2 4.08Å; Y473-W536 HydrophobicContact CG-CZ2 4.31Å; L516-W536 HydrophobicContact CB-CZ3 4.07Å; L516-W536 HydrophobicContact CD1-CE3 4.44Å; L516-W536 HydrophobicContact CD1-CZ3 4.1Å; L516-W536 HydrophobicContact CD2-CE3 3.75Å; L516-W536 HydrophobicContact CD2-CZ3 4.1Å; L516-W536 HydrophobicContact CG-CE3 4.46Å; L516-W536 HydrophobicContact CG-CZ3 4.32Å; P526-W536 HydrophobicContact CB-CD2 4.36Å; P526-W536 HydrophobicContact CB-CE3 3.49Å; P526-W536 VanDerWaalsContact CB-CE3 3.49Å; P526-W536 HydrophobicContact CB-CZ3 3.92Å; P526-W536 HydrophobicContact CG-CB 3.96Å; P526-W536 HydrophobicContact CG-CD2 3.7Å; P526-W536 HydrophobicContact CG-CE3 3.33Å; P526-W536 HydrophobicContact CG-CG 3.99Å; P526-W536 HydrophobicContact CG-CZ3 4.08Å; T527-W536 HydrophobicContact CG2-CB 3.82Å; T527-W536 PolarHBondContact OG1-N 3.44Å; W536-L548 HydrophobicContact CB-CD2 4.31Å; W536-L548 HydrophobicContact CD2-CB 3.79Å; W536-L548 HydrophobicContact CD2-CD2 3.36Å; W536-L548 HydrophobicContact CD2-CG 4.19Å; W536-L548 VanDerWaalsContact CE2-CB 3.49Å; W536-L548 HydrophobicContact CE3-CB 4.43Å; W536-L548 HydrophobicContact CE3-CD2 3.24Å; W536-L548 HydrophobicContact CE3-CG 4.46Å; W536-L548 HydrophobicContact CG-CB 4.05Å; W536-L548 HydrophobicContact CG-CD2 3.87Å; W536-L548 HydrophobicContact CG-CG 4.46Å; W536-L548 HydrophobicContact CH2-CD2 4.12Å; W536-L548 HydrophobicContact CZ2-CB 3.93Å; W536-L548 HydrophobicContact CZ2-CD2 4.26Å; W536-L548 HydrophobicContact CZ3-CD2 3.62Å; W536-M556 HydrophobicContact CG-SD 4.34Å | ||
| 537 | K | 95.1 | Very high | 87.8 | Confident | 139 Ų | 139 | 54.1 Ų | 54.1 | 60% | 0.604 | 33% | 0.333 | S | S | * | . | trans | -77.7 | 135.2 | 178.6 | -62.8 | -177.3 | 179.4 | -178.8 | 0 | 110.1 | T535 N546 M556 | T535-K537 PolarHBondContact O-N 2.95Å; K537-N546 PolarHBondContact O-ND2 2.05Å; K537-M556 HydrophobicContact CB-CE 4.2Å | ||
| 538 | P | 95.9 | Very high | 87.7 | Confident | 42 Ų | 42 | 54 Ų | 54 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | trans | -55.8 | 159.4 | 171 | -22.9 | 31.7 | 0 | 0 | 0 | 112.3 | T469 V470 Y471 T540 N546 | T469-P538 HydrophobicContact CG2-CB 4.05Å; T469-P538 HydrophobicContact CG2-CG 3.87Å; V470-P538 CarbonylContact O-C 3.51Å; V470-P538 WeakPolarHBondContact O-CA 3.24Å; Y471-P538 HydrophobicContact CD1-CG 4.45Å; Y471-P538 HydrophobicContact CE1-CB 4.31Å; Y471-P538 HydrophobicContact CE1-CG 3.68Å; P538-T540 PolarHBondContact O-N 2.98Å; P538-N546 PolarHBondContact O-ND2 2.93Å | ||
| 539 | L | 92.7 | Very high | 87.7 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -67.3 | 113.2 | 172.2 | -163.4 | 71.9 | 0 | 0 | 0 | 109.3 | A460 V461 R464 V470 L472 G544 N546 | A460-L539 HydrophobicContact CB-CD2 3.71Å; V461-L539 HydrophobicContact CG2-CD2 4.22Å; R464-L539 VanDerWaalsContact CD-O 3.27Å; R464-L539 WeakPolarHBondContact CD-O 3.14Å; R464-L539 WeakPolarHBondContact CG-O 3.48Å; V470-L539 HydrophobicContact CB-CB 4.09Å; V470-L539 HydrophobicContact CG1-CB 4.27Å; V470-L539 HydrophobicContact CG1-CD2 4.37Å; V470-L539 PolarHBondContact O-N 3.15Å; L472-L539 HydrophobicContact CB-CD1 4.37Å; L472-L539 HydrophobicContact CD2-CD1 4.14Å; L539-G544 WeakPolarHBondContact CD1-O 3.44Å; L539-N546 WeakPolarHBondContact CD1-O 3.32Å | ||
| 540 | T | 78.4 | Confident | 87.7 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 48% | 0.479 | 28% | 0.281 | S | S | . | . | trans | -123.2 | 143.1 | -176 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | P538 D543 G544 N546 | P538-T540 PolarHBondContact O-N 2.98Å; T540-D543 CarbonylContact O-C 3.52Å; T540-G544 VanDerWaalsContact O-CA 3.26Å; T540-G544 WeakPolarHBondContact O-CA 2.99Å; T540-G544 PolarHBondContact O-N 3.34Å; T540-N546 PolarHBondContact N-OD1 3.4Å | ||
| 541 | A | 70.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -71.3 | 155.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 542 | P | 55.4 | Low | 87.4 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | S | Bend | cis | -83.9 | -13.2 | -6 | 34.3 | -34.3 | 0 | 0 | 0 | 113.2 | G544 S582 | P542-G544 PolarHBondContact O-N 3.46Å; P542-S582 WeakPolarHBondContact CB-O 3.49Å |
| 543 | D | 57.8 | Low | 87.5 | Confident | 122 Ų | 122 | 48.1 Ų | 48.1 | 65% | 0.652 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -78.2 | 33.5 | -175.5 | -59.4 | -31.4 | 0 | 0 | 0 | 112.8 | T540 G545 N546 | T540-D543 CarbonylContact O-C 3.52Å; D543-G545 PolarHBondContact O-N 2.97Å; D543-N546 PolarHBondContact O-N 3.45Å |
| 544 | G | 65.6 | Low | 87.6 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 13.4 | -160.1 | 0 | 0 | 0 | 0 | 0 | 118 | Y457 L539 T540 P542 | Y457-G544 VanDerWaalsContact CE2-O 3.23Å; Y457-G544 WeakPolarHBondContact CE2-O 3.44Å; Y457-G544 VanDerWaalsContact OH-C 3.28Å; Y457-G544 PolarHBondContact OH-O 2.9Å; L539-G544 WeakPolarHBondContact CD1-O 3.44Å; T540-G544 VanDerWaalsContact O-CA 3.26Å; T540-G544 WeakPolarHBondContact O-CA 2.99Å; T540-G544 PolarHBondContact O-N 3.34Å; P542-G544 PolarHBondContact O-N 3.46Å |
| 545 | G | 80.6 | Confident | 87.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 5.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D543 F559 Y560 | D543-G545 PolarHBondContact O-N 2.97Å; G545-F559 CarbonylContact O-C 3.48Å; G545-F559 WeakPolarHBondContact O-CA 3.31Å; G545-F559 PolarHBondContact O-N 3.27Å; G545-Y560 PolarHBondContact O-N 3.26Å |
| 546 | N | 92.2 | Very high | 87.5 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 13% | 0.128 | 25% | 0.246 | C | C | . | . | trans | -65.9 | 138.5 | 179.7 | 65.8 | -75.1 | 0 | 0 | 0 | 112.4 | K537 P538 L539 T540 D543 M556 K557 | K537-N546 PolarHBondContact O-ND2 2.05Å; P538-N546 PolarHBondContact O-ND2 2.93Å; L539-N546 WeakPolarHBondContact CD1-O 3.32Å; T540-N546 PolarHBondContact N-OD1 3.4Å; D543-N546 PolarHBondContact O-N 3.45Å; N546-M556 HydrophobicContact CB-CE 4.23Å; N546-K557 WeakPolarHBondContact CA-O 3.47Å | ||
| 547 | Y | 94.8 | Very high | 87.2 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 159.9 | 177.8 | 71.1 | -78.6 | 0 | 0 | 0 | 111.5 | L472 M556 K557 Y560 | L472-Y547 CarbonylContact O-C 3.54Å; L472-Y547 VanDerWaalsContact O-CA 3.23Å; L472-Y547 WeakPolarHBondContact O-CA 3.34Å; L472-Y547 WeakPolarHBondContact O-CB 3.05Å; Y547-M556 WeakPolarHBondContact O-CA 3.31Å; Y547-K557 HydrophobicContact CD1-CB 4.09Å; Y547-K557 WeakPolarHBondContact CD1-O 3.36Å; Y547-K557 HydrophobicContact CE1-CB 3.5Å; Y547-K557 VanDerWaalsContact CE1-CB 3.5Å; Y547-K557 HydrophobicContact CE2-CB 4.19Å; Y547-K557 HydrophobicContact CE2-CD 4.47Å; Y547-K557 PolarHBondContact N-O 3.35Å; Y547-K557 PolarHBondContact O-N 3.01Å; Y547-K557 WeakPolarHBondContact OH-CD 3.34Å; Y547-Y560 VanDerWaalsContact CD1-CA 3.43Å; Y547-Y560 AromaticContact CD1-CD2 3.9Å; Y547-Y560 HydrophobicContact CD1-CD2 3.9Å; Y547-Y560 HydrophobicContact CD1-CG 4.3Å; Y547-Y560 AromaticContact CD2-CD2 3.91Å; Y547-Y560 HydrophobicContact CD2-CD2 3.91Å; Y547-Y560 HydrophobicContact CE1-CD2 4.43Å; Y547-Y560 HydrophobicContact CE2-CD2 4.45Å; Y547-Y560 AromaticContact CG-CD2 3.61Å; Y547-Y560 HydrophobicContact CG-CD2 3.61Å; Y547-Y560 HydrophobicContact CG-CG 4.37Å |
| 548 | L | 97 | Very high | 86.9 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.2 | 170.9 | -174.2 | 64.8 | 0 | 0 | 0 | 110.2 | L472 Y473 S474 L516 V534 W536 I550 L554 M556 | L472-L548 PolarHBondContact O-N 3.22Å; Y473-L548 CarbonylContact C-O 3.18Å; Y473-L548 WeakPolarHBondContact CA-O 3.33Å; Y473-L548 WeakPolarHBondContact CB-O 3.03Å; S474-L548 PolarHBondContact N-O 2.88Å; L516-L548 HydrophobicContact CD1-CD2 3.86Å; L516-L548 HydrophobicContact CD2-CD2 4.15Å; V534-L548 HydrophobicContact CG1-CD1 4.02Å; W536-L548 HydrophobicContact CB-CD2 4.31Å; W536-L548 HydrophobicContact CD2-CB 3.79Å; W536-L548 HydrophobicContact CD2-CD2 3.36Å; W536-L548 HydrophobicContact CD2-CG 4.19Å; W536-L548 VanDerWaalsContact CE2-CB 3.49Å; W536-L548 HydrophobicContact CE3-CB 4.43Å; W536-L548 HydrophobicContact CE3-CD2 3.24Å; W536-L548 HydrophobicContact CE3-CG 4.46Å; W536-L548 HydrophobicContact CG-CB 4.05Å; W536-L548 HydrophobicContact CG-CD2 3.87Å; W536-L548 HydrophobicContact CG-CG 4.46Å; W536-L548 HydrophobicContact CH2-CD2 4.12Å; W536-L548 HydrophobicContact CZ2-CB 3.93Å; W536-L548 HydrophobicContact CZ2-CD2 4.26Å; W536-L548 HydrophobicContact CZ3-CD2 3.62Å; L548-I550 HydrophobicContact CD2-CG1 4.28Å; L548-I550 HydrophobicContact CG-CG1 4.28Å; L548-L554 HydrophobicContact CD1-CD1 3.77Å; L548-L554 HydrophobicContact CD1-CG 3.87Å; L548-L554 HydrophobicContact CD2-CD1 3.87Å; L548-L554 HydrophobicContact CG-CD1 3.85Å; L548-L554 HydrophobicContact CG-CG 4.48Å; L548-M556 HydrophobicContact CB-SD 4.01Å; L548-M556 HydrophobicContact CD1-SD 3.9Å |
| 549 | S | 96.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 112.9 | 170.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | D476 E555 K557 | D476-S549 WeakPolarHBondContact OD2-CB 3.24Å; D476-S549 PolarHBondContact OD2-OG 3.38Å; S549-E555 WeakPolarHBondContact CB-O 3.49Å; S549-E555 PolarHBondContact N-O 3.1Å; S549-E555 PolarHBondContact O-N 2.85Å; S549-K557 PolarHBondContact OG-NZ 3.15Å |
| 550 | I | 96.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 98.8 | 177.6 | -55.2 | 176.1 | 0 | 0 | 0 | 108.2 | Y473 S474 F475 D476 Y477 L516 L548 L554 | Y473-I550 HydrophobicContact CD2-CD1 3.83Å; Y473-I550 HydrophobicContact CG-CD1 4.12Å; S474-I550 PolarHBondContact O-N 3.43Å; F475-I550 HydrophobicContact CD2-CB 4.06Å; F475-I550 HydrophobicContact CD2-CD1 4.4Å; F475-I550 HydrophobicContact CD2-CG2 3.85Å; F475-I550 HydrophobicContact CE2-CG2 3.84Å; D476-I550 PolarHBondContact N-O 3.11Å; Y477-I550 PolarHBondContact N-O 3.46Å; L516-I550 HydrophobicContact CD1-CD1 4.09Å; L516-I550 HydrophobicContact CD1-CG1 4.46Å; L548-I550 HydrophobicContact CD2-CG1 4.28Å; L548-I550 HydrophobicContact CG-CG1 4.28Å; I550-L554 HydrophobicContact CG1-CD1 4.16Å |
| 551 | D | 94.9 | Very high | 86.4 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -142.7 | -172.5 | 177.2 | -158.3 | -8.5 | 0 | 0 | 0 | 109.3 | D476 R505 I509 K553 | D476-D551 HydrophobicContact CB-CB 4.19Å; R505-D551 IonicContact NH2-OD1 3.34Å; I509-D551 VanDerWaalsContact CD1-O 3.26Å; I509-D551 WeakPolarHBondContact CD1-O 3.43Å; D551-K553 CarbonylContact O-C 3.55Å; D551-K553 PolarHBondContact O-N 3.33Å; D551-K553 VanDerWaalsContact O-N 3.08Å |
| 552 | D | 92 | Very high | 86.3 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -47.5 | -38.9 | 174.6 | -79.9 | -44.3 | 0 | 0 | 0 | 113.5 | R505 K508 | R505-D552 WeakPolarHBondContact CD-OD1 3.29Å; R505-D552 WeakPolarHBondContact CG-OD1 3.09Å; R505-D552 IonicContact CZ-OD1 3.69Å; R505-D552 IonicContact CZ-OD2 3.21Å; R505-D552 IonicContact NE-OD1 3.75Å; R505-D552 PolarHBondContact NE-OD1 3.29Å; R505-D552 IonicContact NE-OD2 3.89Å; R505-D552 PolarHBondContact NE-OD2 3.16Å; R505-D552 IonicContact NH2-OD1 2.8Å; R505-D552 IonicContact NH2-OD2 3.99Å; R505-D552 PolarHBondContact NH2-OD2 3.33Å; K508-D552 PolarHBondContact NZ-O 3.47Å |
| 553 | K | 95 | Very high | 86.7 | Confident | 139 Ų | 139 | 45.1 Ų | 45.1 | 60% | 0.604 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -107.1 | 104.1 | 171.1 | -174.1 | -170.3 | 176.4 | -148.3 | 0 | 107.8 | D551 E555 | D551-K553 CarbonylContact O-C 3.55Å; D551-K553 PolarHBondContact O-N 3.33Å; D551-K553 VanDerWaalsContact O-N 3.08Å; K553-E555 WeakPolarHBondContact CE-OE2 3.24Å; K553-E555 IonicContact NZ-OE2 2.7Å; K553-E555 PolarHBondContact NZ-OE2 3.28Å; K553-E555 PolarHBondContact O-N 3.04Å |
| 554 | L | 97.6 | Very high | 87 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.073 | 20% | 0.195 | C | C | . | . | trans | -62.2 | 127.2 | 169.4 | -166 | 64.7 | 0 | 0 | 0 | 108.8 | V512 I531 V534 L548 I550 | V512-L554 HydrophobicContact CG1-CD1 3.95Å; V512-L554 HydrophobicContact CG1-CD2 4.01Å; I531-L554 HydrophobicContact CB-CD2 4.27Å; I531-L554 HydrophobicContact CG2-CD2 4.06Å; V534-L554 HydrophobicContact CB-CD2 4.27Å; V534-L554 HydrophobicContact CB-CG 4.44Å; V534-L554 WeakPolarHBondContact CG2-O 3.36Å; L548-L554 HydrophobicContact CD1-CD1 3.77Å; L548-L554 HydrophobicContact CD1-CG 3.87Å; L548-L554 HydrophobicContact CD2-CD1 3.87Å; L548-L554 HydrophobicContact CG-CD1 3.85Å; L548-L554 HydrophobicContact CG-CG 4.48Å; I550-L554 HydrophobicContact CG1-CD1 4.16Å | ||
| 555 | E | 96.3 | Very high | 87.4 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 24% | 0.238 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 144.6 | 178.7 | 61.1 | -172.3 | 179.9 | 0 | 0 | 113 | S549 K553 K557 | S549-E555 WeakPolarHBondContact CB-O 3.49Å; S549-E555 PolarHBondContact N-O 3.1Å; S549-E555 PolarHBondContact O-N 2.85Å; K553-E555 WeakPolarHBondContact CE-OE2 3.24Å; K553-E555 IonicContact NZ-OE2 2.7Å; K553-E555 PolarHBondContact NZ-OE2 3.28Å; K553-E555 PolarHBondContact O-N 3.04Å; E555-K557 HydrophobicContact CG-CG 4.23Å; E555-K557 WeakPolarHBondContact OE1-CE 3.34Å; E555-K557 IonicContact OE1-NZ 2.71Å; E555-K557 PolarHBondContact OE1-NZ 2.96Å |
| 556 | M | 94.9 | Very high | 87 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 27% | 0.266 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.1 | 167.5 | -70.9 | -60.2 | -57.2 | 0 | 0 | 109.1 | V534 W536 K537 N546 Y547 L548 | V534-M556 HydrophobicContact CG1-CG 4.28Å; W536-M556 HydrophobicContact CG-SD 4.34Å; K537-M556 HydrophobicContact CB-CE 4.2Å; N546-M556 HydrophobicContact CB-CE 4.23Å; Y547-M556 WeakPolarHBondContact O-CA 3.31Å; L548-M556 HydrophobicContact CB-SD 4.01Å; L548-M556 HydrophobicContact CD1-SD 3.9Å |
| 557 | K | 92.7 | Very high | 86.4 | Confident | 59 Ų | 59 | 40.3 Ų | 40.3 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.6 | 175 | -73.8 | -174.1 | 175.6 | 143.3 | 0 | 110.8 | N546 Y547 S549 E555 | N546-K557 WeakPolarHBondContact CA-O 3.47Å; Y547-K557 HydrophobicContact CD1-CB 4.09Å; Y547-K557 WeakPolarHBondContact CD1-O 3.36Å; Y547-K557 HydrophobicContact CE1-CB 3.5Å; Y547-K557 VanDerWaalsContact CE1-CB 3.5Å; Y547-K557 HydrophobicContact CE2-CB 4.19Å; Y547-K557 HydrophobicContact CE2-CD 4.47Å; Y547-K557 PolarHBondContact N-O 3.35Å; Y547-K557 PolarHBondContact O-N 3.01Å; Y547-K557 WeakPolarHBondContact OH-CD 3.34Å; S549-K557 PolarHBondContact OG-NZ 3.15Å; E555-K557 HydrophobicContact CG-CG 4.23Å; E555-K557 WeakPolarHBondContact OE1-CE 3.34Å; E555-K557 IonicContact OE1-NZ 2.71Å; E555-K557 PolarHBondContact OE1-NZ 2.96Å |
| 558 | P | 88.7 | Confident | 85.6 | Confident | 83 Ų | 83 | 39.1 Ų | 39.1 | 54% | 0.539 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -77.9 | 163.4 | 167.4 | 36.2 | -35.5 | 0 | 0 | 0 | 110.3 | ||
| 559 | F | 84.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 39.9 Ų | 39.9 | 38% | 0.382 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 54.8 | 71 | 169.1 | -42.1 | -64.3 | 0 | 0 | 0 | 115.6 | G545 H561 E562 | G545-F559 CarbonylContact O-C 3.48Å; G545-F559 WeakPolarHBondContact O-CA 3.31Å; G545-F559 PolarHBondContact O-N 3.27Å; F559-H561 PolarHBondContact O-N 3.1Å; F559-E562 HydrophobicContact CB-CB 3.62Å; F559-E562 HydrophobicContact CB-CG 3.7Å; F559-E562 HydrophobicContact CG-CG 4.16Å; F559-E562 PolarHBondContact O-N 3.2Å; F559-E562 VanDerWaalsContact O-N 3.11Å |
| 560 | Y | 88.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 110.7 | 171.4 | -177 | -106.6 | 0 | 0 | 0 | 111.1 | T369 Y457 L472 G545 Y547 E562 M565 | T369-Y560 WeakPolarHBondContact CB-OH 3.23Å; T369-Y560 WeakPolarHBondContact CG2-OH 3.39Å; T369-Y560 PolarHBondContact OG1-OH 3.1Å; Y457-Y560 AromaticContact CD2-CD1 3.78Å; Y457-Y560 HydrophobicContact CD2-CD1 3.78Å; Y457-Y560 HydrophobicContact CD2-CG 4.44Å; Y457-Y560 HydrophobicContact CG-CD1 4.16Å; L472-Y560 HydrophobicContact CD1-CD2 4.46Å; L472-Y560 HydrophobicContact CD1-CE1 4.31Å; L472-Y560 HydrophobicContact CD1-CE2 4.13Å; L472-Y560 HydrophobicContact CD2-CD1 3.83Å; L472-Y560 HydrophobicContact CD2-CD2 3.87Å; L472-Y560 HydrophobicContact CD2-CE1 4.28Å; L472-Y560 HydrophobicContact CD2-CE2 4.34Å; L472-Y560 HydrophobicContact CD2-CG 3.59Å; L472-Y560 HydrophobicContact CG-CD2 4.04Å; L472-Y560 HydrophobicContact CG-CE2 4.16Å; L472-Y560 HydrophobicContact CG-CG 4.26Å; G545-Y560 PolarHBondContact O-N 3.26Å; Y547-Y560 VanDerWaalsContact CD1-CA 3.43Å; Y547-Y560 AromaticContact CD1-CD2 3.9Å; Y547-Y560 HydrophobicContact CD1-CD2 3.9Å; Y547-Y560 HydrophobicContact CD1-CG 4.3Å; Y547-Y560 AromaticContact CD2-CD2 3.91Å; Y547-Y560 HydrophobicContact CD2-CD2 3.91Å; Y547-Y560 HydrophobicContact CE1-CD2 4.43Å; Y547-Y560 HydrophobicContact CE2-CD2 4.45Å; Y547-Y560 AromaticContact CG-CD2 3.61Å; Y547-Y560 HydrophobicContact CG-CD2 3.61Å; Y547-Y560 HydrophobicContact CG-CG 4.37Å; Y560-E562 PolarHBondContact O-N 3.4Å; Y560-E562 VanDerWaalsContact O-N 3.11Å; Y560-M565 HydrophobicContact CD1-CG 4.41Å; Y560-M565 WeakPolarHBondContact O-CG 3.48Å |
| 561 | H | 82.8 | Confident | 81.5 | Confident | 33 Ų | 33 | 46.9 Ų | 46.9 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 41.2 | -176.5 | -56.6 | -64.1 | 0 | 0 | 0 | 114.4 | F453 F559 N563 G564 M565 | F453-H561 HydrophobicContact CB-CB 4.46Å; F453-H561 AromaticContact CD1-CD2 3.8Å; F453-H561 AromaticContact CD1-NE2 3.6Å; F453-H561 HydrophobicContact CD2-CB 4.02Å; F453-H561 AromaticContact CD2-CD2 3.56Å; F453-H561 AromaticContact CD2-CE1 3.84Å; F453-H561 AromaticContact CD2-CG 3.48Å; F453-H561 VanDerWaalsContact CD2-CG 3.48Å; F453-H561 AromaticContact CD2-ND1 3.68Å; F453-H561 AromaticContact CD2-NE2 3.78Å; F453-H561 AromaticContact CE1-CE1 3.91Å; F453-H561 AromaticContact CE1-NE2 3.61Å; F453-H561 AromaticContact CE2-CE1 3.47Å; F453-H561 VanDerWaalsContact CE2-CE1 3.47Å; F453-H561 WeakPolarHBondContact CE2-CE1 3.28Å; F453-H561 AromaticContact CE2-CG 3.84Å; F453-H561 AromaticContact CE2-ND1 3.51Å; F453-H561 AromaticContact CE2-NE2 3.78Å; F453-H561 HydrophobicContact CG-CB 4.49Å; F453-H561 AromaticContact CG-CD2 3.44Å; F453-H561 VanDerWaalsContact CG-CD2 3.44Å; F453-H561 WeakPolarHBondContact CG-CD2 3.11Å; F453-H561 AromaticContact CG-CG 3.86Å; F453-H561 AromaticContact CG-NE2 3.7Å; F453-H561 AromaticContact CZ-CE1 3.52Å; F453-H561 AromaticContact CZ-NE2 3.71Å; F559-H561 PolarHBondContact O-N 3.1Å; H561-N563 PolarHBondContact O-N 2.85Å; H561-G564 PolarHBondContact O-N 2.74Å; H561-M565 HydrophobicContact CB-CE 4.06Å; H561-M565 HydrophobicContact CB-CG 4.41Å |
| 562 | E | 66.6 | Low | 80 | Confident | 73 Ų | 73 | 46.4 Ų | 46.4 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -22.3 | -59.8 | -170.3 | -169 | 173.2 | -178.1 | 0 | 0 | 117.1 | F559 Y560 G564 M565 | F559-E562 HydrophobicContact CB-CB 3.62Å; F559-E562 HydrophobicContact CB-CG 3.7Å; F559-E562 HydrophobicContact CG-CG 4.16Å; F559-E562 PolarHBondContact O-N 3.2Å; F559-E562 VanDerWaalsContact O-N 3.11Å; Y560-E562 PolarHBondContact O-N 3.4Å; Y560-E562 VanDerWaalsContact O-N 3.11Å; E562-G564 VanDerWaalsContact C-N 3.29Å; E562-G564 PolarHBondContact O-N 2.94Å; E562-M565 PolarHBondContact O-N 3.32Å |
| 563 | N | 64.6 | Low | 78.2 | Confident | 59 Ų | 59 | 48.1 Ų | 48.1 | 32% | 0.316 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.4 | -28.3 | -172.3 | -66.3 | -20.9 | 0 | 0 | 0 | 113 | H561 | H561-N563 PolarHBondContact O-N 2.85Å |
| 564 | G | 64 | Low | 76.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.5 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D449 H561 E562 S566 F567 W568 | D449-G564 WeakPolarHBondContact OD2-CA 3.29Å; H561-G564 PolarHBondContact O-N 2.74Å; E562-G564 VanDerWaalsContact C-N 3.29Å; E562-G564 PolarHBondContact O-N 2.94Å; G564-S566 VanDerWaalsContact C-N 3.31Å; G564-S566 PolarHBondContact O-N 2.96Å; G564-F567 PolarHBondContact O-N 3.27Å; G564-W568 PolarHBondContact O-N 3.42Å |
| 565 | M | 74.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.9 | -19.4 | -166.3 | -57.3 | -51.4 | 108.8 | 0 | 0 | 113.8 | F453 W454 Y457 Y560 H561 E562 P569 F584 | F453-M565 HydrophobicContact CB-CE 3.54Å; F453-M565 HydrophobicContact CB-SD 4.49Å; W454-M565 VanDerWaalsContact CA-SD 3.5Å; W454-M565 HydrophobicContact CB-CE 4.01Å; W454-M565 HydrophobicContact CB-SD 4.11Å; W454-M565 HydrophobicContact CE3-SD 3.92Å; Y457-M565 VanDerWaalsContact CB-SD 3.58Å; Y457-M565 HydrophobicContact CD1-CB 3.89Å; Y457-M565 HydrophobicContact CD1-CG 3.97Å; Y457-M565 HydrophobicContact CD1-SD 3.97Å; Y457-M565 HydrophobicContact CE1-CB 4.01Å; Y457-M565 HydrophobicContact CE1-CG 4.46Å; Y457-M565 HydrophobicContact CG-CB 4.45Å; Y457-M565 HydrophobicContact CG-CG 4.04Å; Y457-M565 HydrophobicContact CG-SD 3.91Å; Y560-M565 HydrophobicContact CD1-CG 4.41Å; Y560-M565 WeakPolarHBondContact O-CG 3.48Å; H561-M565 HydrophobicContact CB-CE 4.06Å; H561-M565 HydrophobicContact CB-CG 4.41Å; E562-M565 PolarHBondContact O-N 3.32Å; M565-P569 WeakPolarHBondContact O-CD 3.45Å; M565-P569 WeakPolarHBondContact O-CG 3.22Å; M565-F584 HydrophobicContact CB-CE2 3.9Å; M565-F584 HydrophobicContact CB-CZ 3.91Å |
| 566 | S | 71.6 | Confident | 71.6 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -26.3 | 172.5 | 59 | 0 | 0 | 0 | 0 | 113.9 | G564 N570 | G564-S566 VanDerWaalsContact C-N 3.31Å; G564-S566 PolarHBondContact O-N 2.96Å; S566-N570 PolarHBondContact O-ND2 3Å |
| 567 | F | 79.7 | Confident | 69.5 | Low | 25 Ų | 25 | 45.9 Ų | 45.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.2 | -49.8 | -175.5 | 170.5 | -103.7 | 0 | 0 | 0 | 112.1 | D418 C419 E422 Y423 G564 N570 L571 | D418-F567 HydrophobicContact CB-CE2 4.43Å; C419-F567 HydrophobicContact CB-CE1 4.4Å; C419-F567 HydrophobicContact CB-CZ 4.03Å; E422-F567 HydrophobicContact CB-CD2 4.06Å; E422-F567 HydrophobicContact CB-CE2 3.99Å; E422-F567 HydrophobicContact CB-CZ 4.35Å; E422-F567 HydrophobicContact CG-CB 4.33Å; E422-F567 HydrophobicContact CG-CD1 4.31Å; E422-F567 HydrophobicContact CG-CD2 3.85Å; E422-F567 HydrophobicContact CG-CE2 4.26Å; E422-F567 HydrophobicContact CG-CG 3.89Å; Y423-F567 HydrophobicContact CE2-CE1 4.37Å; G564-F567 PolarHBondContact O-N 3.27Å; F567-N570 PolarHBondContact O-N 2.83Å; F567-L571 HydrophobicContact CE1-CD2 3.64Å; F567-L571 HydrophobicContact CE2-CD1 4.49Å; F567-L571 HydrophobicContact CZ-CB 4.42Å; F567-L571 HydrophobicContact CZ-CD1 4.07Å; F567-L571 HydrophobicContact CZ-CD2 3.63Å; F567-L571 HydrophobicContact CZ-CG 4.28Å; F567-L571 PolarHBondContact O-N 2.95Å; F567-L571 VanDerWaalsContact O-N 3.14Å |
| 568 | W | 78.7 | Confident | 67.4 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.2 | -43.3 | -175.3 | -68.6 | 116.7 | 0 | 0 | 0 | 115.6 | V401 L402 Y423 L446 N450 W454 G564 N570 L571 F572 | V401-W568 HydrophobicContact CG1-CH2 3.58Å; V401-W568 HydrophobicContact CG1-CZ3 3.82Å; L402-W568 HydrophobicContact CD2-CZ3 4.19Å; Y423-W568 AromaticContact CE2-CZ2 3.97Å; Y423-W568 HydrophobicContact CE2-CZ2 3.97Å; Y423-W568 VanDerWaalsContact OH-CZ2 3.28Å; Y423-W568 WeakPolarHBondContact OH-CZ2 3.5Å; Y423-W568 PolarHBondContact OH-NE1 2.75Å; L446-W568 HydrophobicContact CD1-CH2 3.68Å; L446-W568 HydrophobicContact CD1-CZ2 3.59Å; N450-W568 HydrophobicContact CB-CH2 3.98Å; N450-W568 HydrophobicContact CB-CZ2 3.69Å; W454-W568 HydrophobicContact CB-CB 4.38Å; W454-W568 HydrophobicContact CB-CG 4.17Å; W454-W568 HydrophobicContact CD2-CB 3.54Å; W454-W568 HydrophobicContact CD2-CG 4.25Å; W454-W568 HydrophobicContact CE3-CB 4.01Å; W454-W568 HydrophobicContact CG-CB 3.69Å; W454-W568 AromaticContact CG-CD1 3.98Å; W454-W568 AromaticContact CG-CG 3.92Å; W454-W568 HydrophobicContact CG-CG 3.92Å; W454-W568 HydrophobicContact CH2-CB 4.49Å; W454-W568 HydrophobicContact CZ2-CB 4.17Å; W454-W568 HydrophobicContact CZ3-CB 4.47Å; G564-W568 PolarHBondContact O-N 3.42Å; W568-N570 VanDerWaalsContact C-N 3.27Å; W568-N570 PolarHBondContact O-N 3.42Å; W568-L571 HydrophobicContact CE3-CD2 3.77Å; W568-L571 HydrophobicContact CZ3-CD2 3.61Å; W568-L571 PolarHBondContact O-N 3.38Å; W568-L571 VanDerWaalsContact O-N 3.13Å; W568-F572 HydrophobicContact CB-CD2 3.98Å; W568-F572 HydrophobicContact CB-CE2 3.76Å; W568-F572 AromaticContact CD2-CE2 3.84Å; W568-F572 HydrophobicContact CD2-CE2 3.84Å; W568-F572 HydrophobicContact CD2-CZ 4.27Å; W568-F572 HydrophobicContact CE3-CD2 4.21Å; W568-F572 HydrophobicContact CE3-CE1 4.35Å; W568-F572 AromaticContact CE3-CE2 3.25Å; W568-F572 HydrophobicContact CE3-CE2 3.25Å; W568-F572 AromaticContact CE3-CZ 3.33Å; W568-F572 HydrophobicContact CE3-CZ 3.33Å; W568-F572 HydrophobicContact CG-CE2 4.08Å; W568-F572 HydrophobicContact CZ3-CE2 4.12Å; W568-F572 AromaticContact CZ3-CZ 3.71Å; W568-F572 HydrophobicContact CZ3-CZ 3.71Å; W568-F572 WeakPolarHBondContact O-CD2 3.43Å; W568-F572 WeakPolarHBondContact O-CG 3.28Å; W568-F572 PolarHBondContact O-N 2.83Å |
| 569 | P | 70.9 | Confident | 65.5 | Low | 16 Ų | 16 | 45.4 Ų | 45.4 | 10% | 0.104 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 178.4 | -0.8 | -1 | 0 | 0 | 0 | 112.3 | W454 M565 L571 F572 D573 A574 F578 | W454-P569 HydrophobicContact CH2-CB 3.53Å; W454-P569 HydrophobicContact CH2-CG 3.29Å; W454-P569 HydrophobicContact CZ2-CB 4.22Å; W454-P569 HydrophobicContact CZ2-CG 4.27Å; W454-P569 HydrophobicContact CZ3-CB 4.31Å; W454-P569 VanDerWaalsContact CZ3-CD 3.43Å; W454-P569 HydrophobicContact CZ3-CG 3.56Å; M565-P569 WeakPolarHBondContact O-CD 3.45Å; M565-P569 WeakPolarHBondContact O-CG 3.22Å; P569-L571 VanDerWaalsContact C-N 3.34Å; P569-L571 PolarHBondContact O-N 2.77Å; P569-F572 PolarHBondContact O-N 3.19Å; P569-D573 PolarHBondContact O-N 3.44Å; P569-A574 HydrophobicContact CB-CB 4.23Å; P569-A574 PolarHBondContact O-N 3.31Å; P569-F578 HydrophobicContact CB-CD2 3.87Å; P569-F578 HydrophobicContact CB-CE2 4.09Å; P569-F578 HydrophobicContact CB-CG 4.45Å; P569-F578 HydrophobicContact CG-CE2 4.48Å |
| 570 | N | 68.8 | Low | 63.5 | Low | 134 Ų | 134 | 50.2 Ų | 50.2 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 178.4 | -72.1 | -46 | 0 | 0 | 0 | 112 | S566 F567 W568 | S566-N570 PolarHBondContact O-ND2 3Å; F567-N570 PolarHBondContact O-N 2.83Å; W568-N570 VanDerWaalsContact C-N 3.27Å; W568-N570 PolarHBondContact O-N 3.42Å |
| 571 | L | 65.2 | Low | 61.4 | Low | 17 Ų | 17 | 59.4 Ų | 59.4 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.7 | -36.1 | -179.7 | -164.6 | 70.4 | 0 | 0 | 0 | 113.1 | L402 N415 F567 W568 P569 D573 | L402-L571 HydrophobicContact CD2-CD2 3.28Å; L402-L571 HydrophobicContact CD2-CG 4.12Å; N415-L571 HydrophobicContact CB-CD1 3.66Å; N415-L571 HydrophobicContact CB-CG 4.34Å; N415-L571 PolarHBondContact ND2-O 3.48Å; F567-L571 HydrophobicContact CE1-CD2 3.64Å; F567-L571 HydrophobicContact CE2-CD1 4.49Å; F567-L571 HydrophobicContact CZ-CB 4.42Å; F567-L571 HydrophobicContact CZ-CD1 4.07Å; F567-L571 HydrophobicContact CZ-CD2 3.63Å; F567-L571 HydrophobicContact CZ-CG 4.28Å; F567-L571 PolarHBondContact O-N 2.95Å; F567-L571 VanDerWaalsContact O-N 3.14Å; W568-L571 HydrophobicContact CE3-CD2 3.77Å; W568-L571 HydrophobicContact CZ3-CD2 3.61Å; W568-L571 PolarHBondContact O-N 3.38Å; W568-L571 VanDerWaalsContact O-N 3.13Å; P569-L571 VanDerWaalsContact C-N 3.34Å; P569-L571 PolarHBondContact O-N 2.77Å; L571-D573 VanDerWaalsContact C-N 3.31Å |
| 572 | F | 61.4 | Low | 59.6 | Low | 37 Ų | 37 | 60 Ų | 60 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2.5 | -178.2 | -66.6 | -55.5 | 0 | 0 | 0 | 113.7 | W405 I407 W454 W568 P569 A574 | W405-F572 HydrophobicContact CB-CD1 4.11Å; W405-F572 HydrophobicContact CB-CE1 3.46Å; W405-F572 VanDerWaalsContact CB-CE1 3.46Å; W405-F572 HydrophobicContact CB-CZ 4.3Å; W405-F572 AromaticContact CD1-CE1 3.71Å; W405-F572 AromaticContact CD1-CZ 3.66Å; W405-F572 HydrophobicContact CD2-CD1 4.16Å; W405-F572 AromaticContact CD2-CE1 3.5Å; W405-F572 HydrophobicContact CD2-CE1 3.5Å; W405-F572 VanDerWaalsContact CD2-CE1 3.5Å; W405-F572 HydrophobicContact CD2-CE2 4.29Å; W405-F572 AromaticContact CD2-CZ 3.59Å; W405-F572 HydrophobicContact CD2-CZ 3.59Å; W405-F572 AromaticContact CE2-CZ 3.69Å; W405-F572 HydrophobicContact CE3-CD1 4.19Å; W405-F572 AromaticContact CE3-CE1 3.99Å; W405-F572 HydrophobicContact CE3-CE1 3.99Å; W405-F572 HydrophobicContact CE3-CZ 4.23Å; W405-F572 HydrophobicContact CG-CD1 4.14Å; W405-F572 AromaticContact CG-CE1 3.24Å; W405-F572 HydrophobicContact CG-CE1 3.24Å; W405-F572 AromaticContact CG-CZ 3.59Å; W405-F572 HydrophobicContact CG-CZ 3.59Å; W405-F572 HydrophobicContact CZ2-CZ 4.39Å; W405-F572 AromaticContact NE1-CZ 3.75Å; I407-F572 HydrophobicContact CD1-CD1 3.7Å; I407-F572 HydrophobicContact CD1-CE1 3.66Å; I407-F572 HydrophobicContact CG1-CD1 4Å; I407-F572 HydrophobicContact CG1-CE1 4.13Å; W454-F572 AromaticContact CD1-CE2 3.81Å; W454-F572 HydrophobicContact CZ2-CD2 4.38Å; W454-F572 AromaticContact NE1-CD2 3.6Å; W454-F572 AromaticContact NE1-CE2 3.49Å; W568-F572 HydrophobicContact CB-CD2 3.98Å; W568-F572 HydrophobicContact CB-CE2 3.76Å; W568-F572 AromaticContact CD2-CE2 3.84Å; W568-F572 HydrophobicContact CD2-CE2 3.84Å; W568-F572 HydrophobicContact CD2-CZ 4.27Å; W568-F572 HydrophobicContact CE3-CD2 4.21Å; W568-F572 HydrophobicContact CE3-CE1 4.35Å; W568-F572 AromaticContact CE3-CE2 3.25Å; W568-F572 HydrophobicContact CE3-CE2 3.25Å; W568-F572 AromaticContact CE3-CZ 3.33Å; W568-F572 HydrophobicContact CE3-CZ 3.33Å; W568-F572 HydrophobicContact CG-CE2 4.08Å; W568-F572 HydrophobicContact CZ3-CE2 4.12Å; W568-F572 AromaticContact CZ3-CZ 3.71Å; W568-F572 HydrophobicContact CZ3-CZ 3.71Å; W568-F572 WeakPolarHBondContact O-CD2 3.43Å; W568-F572 WeakPolarHBondContact O-CG 3.28Å; W568-F572 PolarHBondContact O-N 2.83Å; P569-F572 PolarHBondContact O-N 3.19Å; F572-A574 HydrophobicContact CB-CB 4.16Å; F572-A574 PolarHBondContact O-N 3.19Å |
| 573 | D | 54.6 | Low | 58.6 | Low | 104 Ų | 104 | 57 Ų | 57 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 42.9 | -164.7 | -165.4 | 24.5 | 0 | 0 | 0 | 109.6 | P569 L571 S575 | P569-D573 PolarHBondContact O-N 3.44Å; L571-D573 VanDerWaalsContact C-N 3.31Å; D573-S575 PolarHBondContact O-N 3.44Å |
| 574 | A | 51.5 | Low | 57.4 | Low | 9 Ų | 9 | 57.3 Ų | 57.3 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -71.6 | 27.7 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | W454 P569 F572 Q576 I577 F578 | W454-A574 HydrophobicContact CZ2-CB 4.42Å; P569-A574 HydrophobicContact CB-CB 4.23Å; P569-A574 PolarHBondContact O-N 3.31Å; F572-A574 HydrophobicContact CB-CB 4.16Å; F572-A574 PolarHBondContact O-N 3.19Å; A574-Q576 PolarHBondContact O-N 3.29Å; A574-I577 HydrophobicContact CB-CB 4.28Å; A574-I577 HydrophobicContact CB-CD1 4.21Å; A574-I577 HydrophobicContact CB-CG1 4.37Å; A574-I577 WeakPolarHBondContact O-CA 3.22Å; A574-I577 WeakPolarHBondContact O-CB 3.46Å; A574-I577 PolarHBondContact O-N 2.98Å; A574-F578 HydrophobicContact CB-CD2 4.06Å; A574-F578 HydrophobicContact CB-CE2 4.35Å; A574-F578 PolarHBondContact O-N 3.38Å |
| 575 | S | 50.2 | Low | 56 | Low | 55 Ų | 55 | 67 Ų | 67 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -61.1 | -11.5 | 171.9 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | D573 | D573-S575 PolarHBondContact O-N 3.44Š|
| 576 | Q | 48.7 | Very low | 54 | Low | 120 Ų | 120 | 74.8 Ų | 74.8 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -79.5 | -20.5 | 168.9 | -63.6 | -171.1 | 13.1 | 0 | 0 | 113.2 | A574 | A574-Q576 PolarHBondContact O-N 3.29Š|
| 577 | I | 50.4 | Low | 52.3 | Low | 26 Ų | 26 | 81.2 Ų | 81.2 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -38 | -178.9 | -56.9 | -179.5 | 0 | 0 | 0 | 110.3 | I354 T462 A574 | I354-I577 HydrophobicContact CG2-CD1 4.35Å; I354-I577 HydrophobicContact CG2-CG1 4.43Å; T462-I577 HydrophobicContact CG2-CG2 3.61Å; A574-I577 HydrophobicContact CB-CB 4.28Å; A574-I577 HydrophobicContact CB-CD1 4.21Å; A574-I577 HydrophobicContact CB-CG1 4.37Å; A574-I577 WeakPolarHBondContact O-CA 3.22Å; A574-I577 WeakPolarHBondContact O-CB 3.46Å; A574-I577 PolarHBondContact O-N 2.98Å |
| 578 | F | 50 | Low | 50 | Low | 16 Ų | 16 | 84 Ų | 84 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -112.9 | 129.5 | -177.8 | -61 | -91.6 | 0 | 0 | 0 | 110.8 | W454 Y457 A458 V461 P569 A574 K580 D583 | W454-F578 HydrophobicContact CH2-CD2 4.08Å; W454-F578 HydrophobicContact CH2-CE1 4.38Å; W454-F578 AromaticContact CH2-CE2 3.07Å; W454-F578 HydrophobicContact CH2-CE2 3.07Å; W454-F578 AromaticContact CH2-CZ 3.24Å; W454-F578 HydrophobicContact CH2-CZ 3.24Å; W454-F578 AromaticContact CZ2-CE2 3.77Å; W454-F578 HydrophobicContact CZ2-CE2 3.77Å; W454-F578 HydrophobicContact CZ2-CZ 4.23Å; W454-F578 HydrophobicContact CZ3-CE1 4.49Å; W454-F578 AromaticContact CZ3-CE2 3.9Å; W454-F578 HydrophobicContact CZ3-CE2 3.9Å; W454-F578 AromaticContact CZ3-CZ 3.55Å; W454-F578 HydrophobicContact CZ3-CZ 3.55Å; Y457-F578 HydrophobicContact CE1-CE1 4.13Å; Y457-F578 HydrophobicContact CE1-CZ 4.47Å; A458-F578 HydrophobicContact CB-CZ 4.37Å; V461-F578 HydrophobicContact CB-CE1 4.1Å; V461-F578 HydrophobicContact CG1-CD1 4.03Å; V461-F578 HydrophobicContact CG1-CE1 3.78Å; V461-F578 HydrophobicContact CG1-CZ 4.46Å; V461-F578 HydrophobicContact CG2-CE1 4.01Å; P569-F578 HydrophobicContact CB-CD2 3.87Å; P569-F578 HydrophobicContact CB-CE2 4.09Å; P569-F578 HydrophobicContact CB-CG 4.45Å; P569-F578 HydrophobicContact CG-CE2 4.48Å; A574-F578 HydrophobicContact CB-CD2 4.06Å; A574-F578 HydrophobicContact CB-CE2 4.35Å; A574-F578 PolarHBondContact O-N 3.38Å; F578-K580 PolarHBondContact O-N 3Å; F578-D583 HydrophobicContact CD1-CB 3.91Å |
| 579 | D | 48.5 | Very low | 47.8 | Very low | 117 Ų | 117 | 89.5 Ų | 89.5 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | trans | -63.9 | 128.6 | 164.9 | -85.7 | -33.5 | 0 | 0 | 0 | 109.1 | E581 S582 | D579-E581 PolarHBondContact O-N 2.72Å; D579-S582 PolarHBondContact O-N 3.1Å | ||
| 580 | K | 42.5 | Very low | 45.8 | Very low | 187 Ų | 187 | 95.6 Ų | 95.6 | 81% | 0.813 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -21.8 | -170.4 | -78.7 | -175.4 | 175.9 | 178 | 0 | 115.1 | F578 | F578-K580 PolarHBondContact O-N 3Š|
| 581 | E | 44.1 | Very low | 44 | Very low | 196 Ų | 196 | 95.4 Ų | 95.4 | 92% | 0.916 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -17 | -169.9 | -76.2 | -171.1 | 153.1 | 0 | 0 | 115.4 | D579 | D579-E581 PolarHBondContact O-N 2.72Š|
| 582 | S | 44.5 | Very low | 42.3 | Very low | 44 Ų | 44 | 99.3 Ų | 99.3 | 31% | 0.308 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -26.8 | -164.9 | 56.6 | 0 | 0 | 0 | 0 | 116.3 | P542 D579 | P542-S582 WeakPolarHBondContact CB-O 3.49Å; D579-S582 PolarHBondContact O-N 3.1Å |
| 583 | D | 45.7 | Very low | 40.7 | Very low | 11 Ų | 11 | 100.1 Ų | 100.1 | 6% | 0.059 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -104.2 | -7 | -161.4 | -81 | -31.3 | 0 | 0 | 0 | 117.1 | R464 F578 | R464-D583 IonicContact CZ-OD1 3.38Å; R464-D583 IonicContact CZ-OD2 3.9Å; R464-D583 IonicContact NH1-OD1 2.65Å; R464-D583 PolarHBondContact NH1-OD1 2.86Å; R464-D583 VanDerWaalsContact NH2-CG 3.3Å; R464-D583 IonicContact NH2-OD1 2.92Å; R464-D583 PolarHBondContact NH2-OD1 2.82Å; R464-D583 IonicContact NH2-OD2 2.86Å; R464-D583 PolarHBondContact NH2-OD2 2.99Å; F578-D583 HydrophobicContact CD1-CB 3.91Å |
| 584 | F | 40.9 | Very low | 39.6 | Very low | 66 Ų | 66 | 99.9 Ų | 99.9 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | trans | -156.2 | 92.2 | 172.7 | -109.3 | -82.2 | 0 | 0 | 0 | 111.9 | Y457 M565 R586 | Y457-F584 HydrophobicContact CE1-CE2 4.13Å; M565-F584 HydrophobicContact CB-CE2 3.9Å; M565-F584 HydrophobicContact CB-CZ 3.91Å; F584-R586 VanDerWaalsContact C-N 3.31Å; F584-R586 PolarHBondContact O-N 3.31Å | ||
| 585 | K | 33.6 | Very low | 38.7 | Very low | 203 Ų | 203 | 104.9 Ų | 104.9 | 88% | 0.883 | 54% | 0.536 | S | S | * | . | trans | -70.2 | 99.6 | 150.2 | -79.7 | -174.4 | 179.9 | 176.9 | 0 | 106.1 | K587 | K585-K587 PolarHBondContact O-N 3.5Š| ||
| 586 | R | 33.2 | Very low | 37.9 | Very low | 165 Ų | 165 | 105.6 Ų | 105.6 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | trans | -45.1 | 118.5 | 160.9 | -166.4 | 175.3 | -166.5 | 168.8 | 4.6 | 105.1 | F584 V588 | F584-R586 VanDerWaalsContact C-N 3.31Å; F584-R586 PolarHBondContact O-N 3.31Å; R586-V588 HydrophobicContact CB-CG2 4.27Å; R586-V588 HydrophobicContact CG-CG2 4.49Å; R586-V588 PolarHBondContact O-N 3.5Å | ||
| 587 | K | 34.3 | Very low | 37.2 | Very low | 157 Ų | 157 | 106.7 Ų | 106.7 | 68% | 0.683 | 56% | 0.557 | S | S | * | * | trans | -65.1 | 89.4 | 158.5 | -155 | 176.4 | -172.4 | 179.6 | 0 | 103.3 | K585 F589 | K585-K587 PolarHBondContact O-N 3.5Å; K587-F589 PolarHBondContact O-N 3.35Å; K587-F589 VanDerWaalsContact O-N 3.11Å | ||
| 588 | V | 32.5 | Very low | 36.8 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 51% | 0.509 | 59% | 0.587 | S | S | . | * | trans | -53.9 | 123 | -178.7 | 173.7 | 0 | 0 | 0 | 0 | 104.5 | R586 H590 | R586-V588 HydrophobicContact CB-CG2 4.27Å; R586-V588 HydrophobicContact CG-CG2 4.49Å; R586-V588 PolarHBondContact O-N 3.5Å; V588-H590 HydrophobicContact CG1-CB 4.32Å; V588-H590 VanDerWaalsContact CG1-CD2 3.48Å; V588-H590 WeakPolarHBondContact CG1-CD2 3.42Å; V588-H590 PolarHBondContact O-N 2.89Å | ||
| 589 | F | 32.1 | Very low | 36.3 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | 28.2 | -172.7 | -112.4 | -92.2 | 0 | 0 | 0 | 113.7 | K587 | K587-F589 PolarHBondContact O-N 3.35Å; K587-F589 VanDerWaalsContact O-N 3.11Å |
| 590 | H | 29.9 | Very low | 36.4 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -18.3 | 176.1 | -76 | -52 | 0 | 0 | 0 | 113.9 | V588 A593 | V588-H590 HydrophobicContact CG1-CB 4.32Å; V588-H590 VanDerWaalsContact CG1-CD2 3.48Å; V588-H590 WeakPolarHBondContact CG1-CD2 3.42Å; V588-H590 PolarHBondContact O-N 2.89Å; H590-A593 WeakPolarHBondContact O-CB 3.47Å; H590-A593 PolarHBondContact O-N 3.43Å |
| 591 | D | 30.4 | Very low | 37 | Very low | 130 Ų | 130 | 108.6 Ų | 108.6 | 70% | 0.695 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -83.1 | -24.5 | -177.6 | -72.7 | -8.8 | 0 | 0 | 0 | 113.9 | S594 | D591-S594 PolarHBondContact O-OG 3.46Š|
| 592 | T | 29.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -87.7 | -3.5 | 168.6 | 42.5 | 0 | 0 | 0 | 0 | 113.5 | S594 | T592-S594 PolarHBondContact O-N 3.43Å; T592-S594 VanDerWaalsContact O-N 3.11Å |
| 593 | A | 28.1 | Very low | 39.2 | Very low | 53 Ų | 53 | 107.6 Ų | 107.6 | 44% | 0.438 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -72.1 | 4.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H590 S595 | H590-A593 WeakPolarHBondContact O-CB 3.47Å; H590-A593 PolarHBondContact O-N 3.43Å; A593-S595 PolarHBondContact O-N 2.88Å |
| 594 | S | 30.9 | Very low | 40.6 | Very low | 100 Ų | 100 | 110.4 Ų | 110.4 | 70% | 0.699 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -84.4 | 4.1 | -172.3 | 58.5 | 0 | 0 | 0 | 0 | 116.3 | D591 T592 | D591-S594 PolarHBondContact O-OG 3.46Å; T592-S594 PolarHBondContact O-N 3.43Å; T592-S594 VanDerWaalsContact O-N 3.11Å |
| 595 | S | 33.8 | Very low | 42.4 | Very low | 113 Ų | 113 | 107.9 Ų | 107.9 | 79% | 0.79 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -160.3 | -0.3 | 168.3 | 57.4 | 0 | 0 | 0 | 0 | 120.2 | A593 | A593-S595 PolarHBondContact O-N 2.88Š|
| 596 | S | 31.6 | Very low | 44.7 | Very low | 70 Ų | 70 | 102.5 Ų | 102.5 | 49% | 0.49 | 56% | 0.561 | S | S | . | * | trans | -111.3 | 102.7 | 176.7 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | D598 | S596-D598 PolarHBondContact O-N 2.93Š| ||
| 597 | T | 33.9 | Very low | 47.1 | Very low | 144 Ų | 144 | 98 Ų | 98 | 88% | 0.883 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 15.4 | 174 | 42.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 598 | D | 42 | Very low | 49.3 | Very low | 142 Ų | 142 | 92.3 Ų | 92.3 | 76% | 0.759 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 26.8 | -174.8 | -82.9 | -21.2 | 0 | 0 | 0 | 113.5 | S596 P600 | S596-D598 PolarHBondContact O-N 2.93Å; D598-P600 WeakPolarHBondContact O-CD 3.48Å |
| 599 | M | 41.3 | Very low | 51.6 | Low | 118 Ų | 118 | 88.5 Ų | 88.5 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | trans | -82.6 | 115.5 | 164.9 | -77.6 | -147.2 | -63 | 0 | 0 | 109.8 | ||||
| 600 | P | 49.1 | Very low | 54 | Low | 62 Ų | 62 | 86.8 Ų | 86.8 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | trans | -62.1 | 138.5 | -176.9 | -18.2 | 30.5 | 0 | 0 | 0 | 111.6 | D598 | D598-P600 WeakPolarHBondContact O-CD 3.48Š| ||
| 601 | S | 55.2 | Low | 56.4 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | trans | -64.7 | 146.1 | -170.6 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | V603 D604 | S601-V603 PolarHBondContact O-N 3.46Å; S601-V603 VanDerWaalsContact OG-CB 3.31Å; S601-V603 WeakPolarHBondContact OG-CB 3.13Å; S601-V603 WeakPolarHBondContact OG-CG2 3.19Å; S601-D604 PolarHBondContact O-N 2.84Å; S601-D604 VanDerWaalsContact O-N 3.1Å | ||
| 602 | E | 61.9 | Low | 58.7 | Low | 135 Ų | 135 | 79.3 Ų | 79.3 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -45.2 | -20.9 | 169.1 | -168.5 | 174.2 | 171.8 | 0 | 0 | 113.8 | K421 E606 | K421-E602 IonicContact NZ-OE1 3.57Å; E602-E606 WeakPolarHBondContact O-CB 3.39Å; E602-E606 PolarHBondContact O-N 3.09Å; E602-E606 VanDerWaalsContact O-N 3.12Å |
| 603 | V | 72.5 | Confident | 60.9 | Low | 85 Ų | 85 | 75.7 Ų | 75.7 | 52% | 0.515 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.1 | -172.1 | 0 | 0 | 0 | 0 | 113.7 | S601 E606 T607 | S601-V603 PolarHBondContact O-N 3.46Å; S601-V603 VanDerWaalsContact OG-CB 3.31Å; S601-V603 WeakPolarHBondContact OG-CB 3.13Å; S601-V603 WeakPolarHBondContact OG-CG2 3.19Å; V603-E606 PolarHBondContact O-N 2.96Å; V603-T607 WeakPolarHBondContact O-CB 3.2Å; V603-T607 PolarHBondContact O-N 3.29Å; V603-T607 PolarHBondContact O-OG1 3.48Å |
| 604 | D | 75.3 | Confident | 63.1 | Low | 70 Ų | 70 | 77 Ų | 77 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.2 | -44.6 | -177.6 | -73.8 | -25.1 | 0 | 0 | 0 | 110.7 | S601 E606 T607 I608 | S601-D604 PolarHBondContact O-N 2.84Å; S601-D604 VanDerWaalsContact O-N 3.1Å; D604-E606 VanDerWaalsContact C-N 3.33Å; D604-E606 PolarHBondContact O-N 3.25Å; D604-T607 PolarHBondContact O-N 3.45Å; D604-I608 VanDerWaalsContact O-CG1 3.28Å; D604-I608 WeakPolarHBondContact O-CG1 3.47Å; D604-I608 PolarHBondContact O-N 2.88Å |
| 605 | I | 79.5 | Confident | 64.9 | Low | 13 Ų | 13 | 76.4 Ų | 76.4 | 7% | 0.067 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.1 | -65.4 | 177.9 | 0 | 0 | 0 | 110.2 | F420 K421 A424 L425 F437 T607 I608 L609 | F420-I605 HydrophobicContact CD1-CG2 4.38Å; F420-I605 HydrophobicContact CE1-CG2 4.21Å; K421-I605 HydrophobicContact CB-CG2 4.42Å; K421-I605 HydrophobicContact CG-CG2 4.05Å; A424-I605 HydrophobicContact CB-CD1 4.08Å; A424-I605 HydrophobicContact CB-CG1 4.25Å; A424-I605 HydrophobicContact CB-CG2 3.87Å; L425-I605 HydrophobicContact CB-CD1 4.43Å; L425-I605 HydrophobicContact CD2-CD1 3.39Å; L425-I605 HydrophobicContact CG-CD1 3.56Å; F437-I605 HydrophobicContact CE1-CG1 4.18Å; F437-I605 HydrophobicContact CZ-CG1 4.28Å; I605-T607 VanDerWaalsContact C-N 3.35Å; I605-I608 PolarHBondContact O-N 3.45Å; I605-L609 VanDerWaalsContact O-CB 3.22Å; I605-L609 WeakPolarHBondContact O-CB 3.49Å; I605-L609 PolarHBondContact O-N 3.35Å |
| 606 | E | 81.7 | Confident | 66.4 | Low | 89 Ų | 89 | 72.5 Ų | 72.5 | 42% | 0.416 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 176.8 | -173.9 | 161.1 | -151.4 | 0 | 0 | 112.5 | E602 V603 D604 L609 N610 | E602-E606 WeakPolarHBondContact O-CB 3.39Å; E602-E606 PolarHBondContact O-N 3.09Å; E602-E606 VanDerWaalsContact O-N 3.12Å; V603-E606 PolarHBondContact O-N 2.96Å; D604-E606 VanDerWaalsContact C-N 3.33Å; D604-E606 PolarHBondContact O-N 3.25Å; E606-L609 PolarHBondContact O-N 3Å; E606-N610 WeakPolarHBondContact O-CB 3.46Å; E606-N610 PolarHBondContact O-N 3.15Å; E606-N610 PolarHBondContact O-ND2 3.4Å; E606-N610 VanDerWaalsContact O-ND2 3.17Å |
| 607 | T | 82.9 | Confident | 68 | Low | 71 Ų | 71 | 73 Ų | 73 | 44% | 0.436 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | V603 D604 I605 L609 N610 I611 | V603-T607 WeakPolarHBondContact O-CB 3.2Å; V603-T607 PolarHBondContact O-N 3.29Å; V603-T607 PolarHBondContact O-OG1 3.48Å; D604-T607 PolarHBondContact O-N 3.45Å; I605-T607 VanDerWaalsContact C-N 3.35Å; T607-L609 VanDerWaalsContact C-N 3.33Å; T607-L609 PolarHBondContact O-N 2.79Å; T607-N610 PolarHBondContact O-N 3.3Å; T607-I611 HydrophobicContact CG2-CD1 4.11Å; T607-I611 WeakPolarHBondContact O-CG1 3.48Å; T607-I611 PolarHBondContact O-N 2.95Å; T607-I611 VanDerWaalsContact O-N 3.11Å |
| 608 | I | 81 | Confident | 69.2 | Low | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.195 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56 | -49.7 | 175.3 | -70.4 | 170.2 | 0 | 0 | 0 | 109.9 | P391 F420 F437 W439 D604 I605 N610 I611 I612 | P391-I608 HydrophobicContact CB-CG2 3.93Å; P391-I608 HydrophobicContact CG-CG2 4.17Å; F420-I608 HydrophobicContact CE1-CG2 4.27Å; F420-I608 HydrophobicContact CZ-CG2 3.88Å; F437-I608 HydrophobicContact CD2-CD1 4.38Å; F437-I608 HydrophobicContact CE2-CD1 3.6Å; F437-I608 HydrophobicContact CZ-CD1 3.75Å; W439-I608 HydrophobicContact CH2-CD1 4.49Å; W439-I608 HydrophobicContact CH2-CG2 4.44Å; W439-I608 HydrophobicContact CZ2-CD1 4.4Å; D604-I608 VanDerWaalsContact O-CG1 3.28Å; D604-I608 WeakPolarHBondContact O-CG1 3.47Å; D604-I608 PolarHBondContact O-N 2.88Å; I605-I608 PolarHBondContact O-N 3.45Å; I608-N610 PolarHBondContact O-N 3.39Å; I608-I611 PolarHBondContact O-N 3.12Å; I608-I612 HydrophobicContact CG2-CD1 3.44Å; I608-I612 VanDerWaalsContact CG2-CD1 3.44Å; I608-I612 HydrophobicContact CG2-CG1 4.48Å; I608-I612 WeakPolarHBondContact O-CD1 3.48Å; I608-I612 WeakPolarHBondContact O-CG1 3.44Å; I608-I612 PolarHBondContact O-N 2.96Å; I608-I612 VanDerWaalsContact O-N 3.09Å |
| 609 | L | 82 | Confident | 69.9 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 179.7 | -173.2 | 61.3 | 0 | 0 | 0 | 112.3 | L395 K417 F420 K421 I605 E606 T607 I612 F613 | L395-L609 HydrophobicContact CD1-CD1 4.11Å; K417-L609 HydrophobicContact CB-CD2 4.02Å; K417-L609 HydrophobicContact CD-CD2 4.41Å; K417-L609 HydrophobicContact CG-CD2 3.98Å; F420-L609 HydrophobicContact CB-CD1 3.9Å; F420-L609 HydrophobicContact CD1-CB 4.24Å; F420-L609 HydrophobicContact CD1-CD1 3.43Å; F420-L609 VanDerWaalsContact CD1-CD1 3.43Å; F420-L609 HydrophobicContact CD1-CG 4.28Å; F420-L609 HydrophobicContact CD2-CD1 4.3Å; F420-L609 HydrophobicContact CE1-CB 4.16Å; F420-L609 HydrophobicContact CE1-CD1 3.96Å; F420-L609 HydrophobicContact CG-CD1 3.59Å; K421-L609 HydrophobicContact CG-CD2 4.27Å; I605-L609 VanDerWaalsContact O-CB 3.22Å; I605-L609 WeakPolarHBondContact O-CB 3.49Å; I605-L609 PolarHBondContact O-N 3.35Å; E606-L609 PolarHBondContact O-N 3Å; T607-L609 VanDerWaalsContact C-N 3.33Å; T607-L609 PolarHBondContact O-N 2.79Å; L609-I612 PolarHBondContact O-N 2.89Å; L609-F613 HydrophobicContact CD1-CD2 3.53Å; L609-F613 HydrophobicContact CD1-CE2 3.44Å; L609-F613 VanDerWaalsContact CD1-CE2 3.44Å; L609-F613 HydrophobicContact CG-CD2 3.85Å; L609-F613 HydrophobicContact CG-CE2 4.02Å; L609-F613 WeakPolarHBondContact O-CB 3.36Å; L609-F613 WeakPolarHBondContact O-CD2 3.37Å; L609-F613 PolarHBondContact O-N 3Å |
| 610 | N | 81.5 | Confident | 70.4 | Confident | 79 Ų | 79 | 66 Ų | 66 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -179.9 | -74.6 | -28.9 | 0 | 0 | 0 | 112.1 | E606 T607 I608 V614 | E606-N610 WeakPolarHBondContact O-CB 3.46Å; E606-N610 PolarHBondContact O-N 3.15Å; E606-N610 PolarHBondContact O-ND2 3.4Å; E606-N610 VanDerWaalsContact O-ND2 3.17Å; T607-N610 PolarHBondContact O-N 3.3Å; I608-N610 PolarHBondContact O-N 3.39Å; N610-V614 WeakPolarHBondContact O-CG2 3.31Å; N610-V614 PolarHBondContact O-N 3.13Å |
| 611 | I | 81.3 | Confident | 70.2 | Confident | 108 Ų | 108 | 71.2 Ų | 71.2 | 55% | 0.554 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.7 | -46.4 | 176.7 | -66.7 | 166.1 | 0 | 0 | 0 | 110.8 | T607 I608 V614 Q615 | T607-I611 HydrophobicContact CG2-CD1 4.11Å; T607-I611 WeakPolarHBondContact O-CG1 3.48Å; T607-I611 PolarHBondContact O-N 2.95Å; T607-I611 VanDerWaalsContact O-N 3.11Å; I608-I611 PolarHBondContact O-N 3.12Å; I611-V614 PolarHBondContact O-N 2.92Å; I611-Q615 PolarHBondContact O-N 3.15Å |
| 612 | I | 77.1 | Confident | 69.6 | Low | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.8 | -37.6 | -175.9 | -57.3 | 150.7 | 0 | 0 | 0 | 111.4 | P391 L392 L395 F420 I608 L609 V614 Q615 A616 | P391-I612 HydrophobicContact CB-CD1 3.08Å; P391-I612 HydrophobicContact CB-CG1 3.96Å; P391-I612 HydrophobicContact CG-CD1 4.25Å; L392-I612 HydrophobicContact CB-CG2 3.94Å; L392-I612 HydrophobicContact CD1-CG2 3.64Å; L392-I612 HydrophobicContact CG-CG2 4.4Å; L395-I612 HydrophobicContact CB-CG2 4.29Å; L395-I612 HydrophobicContact CD2-CB 4.39Å; L395-I612 HydrophobicContact CD2-CG2 3.56Å; F420-I612 HydrophobicContact CE2-CD1 4.11Å; F420-I612 HydrophobicContact CZ-CD1 3.84Å; I608-I612 HydrophobicContact CG2-CD1 3.44Å; I608-I612 VanDerWaalsContact CG2-CD1 3.44Å; I608-I612 HydrophobicContact CG2-CG1 4.48Å; I608-I612 WeakPolarHBondContact O-CD1 3.48Å; I608-I612 WeakPolarHBondContact O-CG1 3.44Å; I608-I612 PolarHBondContact O-N 2.96Å; I608-I612 VanDerWaalsContact O-N 3.09Å; L609-I612 PolarHBondContact O-N 2.89Å; I612-V614 VanDerWaalsContact C-N 3.25Å; I612-V614 PolarHBondContact O-N 3.21Å; I612-Q615 WeakPolarHBondContact O-CB 3.33Å; I612-Q615 PolarHBondContact O-N 3.43Å; I612-Q615 VanDerWaalsContact O-N 3.15Å; I612-A616 WeakPolarHBondContact O-CB 3.42Å; I612-A616 PolarHBondContact O-N 3.39Å |
| 613 | F | 75.7 | Confident | 68.5 | Low | 24 Ų | 24 | 67.5 Ų | 67.5 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 175.7 | -102.9 | -88.7 | 0 | 0 | 0 | 111.1 | L395 R413 V416 K417 L609 E617 | L395-F613 HydrophobicContact CD1-CD2 4.15Å; L395-F613 HydrophobicContact CD1-CE2 3.47Å; L395-F613 VanDerWaalsContact CD1-CE2 3.47Å; L395-F613 HydrophobicContact CD1-CZ 3.98Å; L395-F613 HydrophobicContact CD2-CD2 4.11Å; L395-F613 HydrophobicContact CD2-CE2 4.15Å; L395-F613 HydrophobicContact CG-CE2 4.46Å; R413-F613 HydrophobicContact CG-CE1 4.17Å; V416-F613 HydrophobicContact CG1-CZ 4.02Å; K417-F613 HydrophobicContact CD-CE2 4.42Å; K417-F613 HydrophobicContact CD-CZ 4.42Å; K417-F613 HydrophobicContact CG-CD2 4.44Å; K417-F613 HydrophobicContact CG-CE2 3.49Å; K417-F613 VanDerWaalsContact CG-CE2 3.49Å; K417-F613 HydrophobicContact CG-CZ 3.54Å; L609-F613 HydrophobicContact CD1-CD2 3.53Å; L609-F613 HydrophobicContact CD1-CE2 3.44Å; L609-F613 VanDerWaalsContact CD1-CE2 3.44Å; L609-F613 HydrophobicContact CG-CD2 3.85Å; L609-F613 HydrophobicContact CG-CE2 4.02Å; L609-F613 WeakPolarHBondContact O-CB 3.36Å; L609-F613 WeakPolarHBondContact O-CD2 3.37Å; L609-F613 PolarHBondContact O-N 3Å; F613-E617 WeakPolarHBondContact O-CB 3.41Å; F613-E617 WeakPolarHBondContact O-CG 3.4Å; F613-E617 PolarHBondContact O-N 3.29Å; F613-E617 VanDerWaalsContact O-N 3.08Å |
| 614 | V | 74.1 | Confident | 66.9 | Low | 80 Ų | 80 | 66.9 Ų | 66.9 | 49% | 0.485 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -46.6 | 173.4 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | N610 I611 I612 E617 H618 | N610-V614 WeakPolarHBondContact O-CG2 3.31Å; N610-V614 PolarHBondContact O-N 3.13Å; I611-V614 PolarHBondContact O-N 2.92Å; I612-V614 VanDerWaalsContact C-N 3.25Å; I612-V614 PolarHBondContact O-N 3.21Å; V614-E617 PolarHBondContact O-N 2.82Å; V614-H618 PolarHBondContact O-CD2 3.33Å; V614-H618 PolarHBondContact O-N 2.85Å |
| 615 | Q | 69.3 | Low | 64.9 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -49 | 177.2 | -176.7 | 178.7 | -17.8 | 0 | 0 | 112.8 | I611 I612 E617 H618 E619 | I611-Q615 PolarHBondContact O-N 3.15Å; I612-Q615 WeakPolarHBondContact O-CB 3.33Å; I612-Q615 PolarHBondContact O-N 3.43Å; I612-Q615 VanDerWaalsContact O-N 3.15Å; Q615-E617 VanDerWaalsContact C-N 3.3Å; Q615-E617 PolarHBondContact O-N 2.89Å; Q615-H618 PolarHBondContact O-N 3.09Å; Q615-H618 VanDerWaalsContact O-N 3.15Å; Q615-E619 PolarHBondContact NE2-OE1 3.45Å; Q615-E619 PolarHBondContact O-N 3.11Å |
| 616 | A | 64.7 | Low | 62.8 | Low | 31 Ų | 31 | 74.1 Ų | 74.1 | 26% | 0.256 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -35.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L392 L395 I612 G620 | L392-A616 HydrophobicContact CD1-CB 4.09Å; L395-A616 HydrophobicContact CD2-CB 4.37Å; I612-A616 WeakPolarHBondContact O-CB 3.42Å; I612-A616 PolarHBondContact O-N 3.39Å; A616-G620 PolarHBondContact O-N 3.4Å; A616-G620 VanDerWaalsContact O-N 3.13Å |
| 617 | E | 66.6 | Low | 60.5 | Low | 79 Ų | 79 | 73.1 Ų | 73.1 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 173.9 | -74.9 | -176.2 | 178.2 | 0 | 0 | 112.5 | R413 F613 V614 Q615 R621 | R413-E617 IonicContact CZ-OE1 3.18Å; R413-E617 IonicContact NH1-OE1 2.75Å; R413-E617 PolarHBondContact NH1-OE1 3.12Å; R413-E617 IonicContact NH2-OE1 2.72Å; R413-E617 PolarHBondContact NH2-OE1 2.78Å; F613-E617 WeakPolarHBondContact O-CB 3.41Å; F613-E617 WeakPolarHBondContact O-CG 3.4Å; F613-E617 PolarHBondContact O-N 3.29Å; F613-E617 VanDerWaalsContact O-N 3.08Å; V614-E617 PolarHBondContact O-N 2.82Å; Q615-E617 VanDerWaalsContact C-N 3.3Å; Q615-E617 PolarHBondContact O-N 2.89Å; E617-R621 PolarHBondContact O-N 3.37Å |
| 618 | H | 58.4 | Low | 58.3 | Low | 122 Ų | 122 | 73.2 Ų | 73.2 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.6 | -43.8 | 174.6 | -88.6 | -76.3 | 0 | 0 | 0 | 112.2 | V614 Q615 R621 S622 | V614-H618 PolarHBondContact O-CD2 3.33Å; V614-H618 PolarHBondContact O-N 2.85Å; Q615-H618 PolarHBondContact O-N 3.09Å; Q615-H618 VanDerWaalsContact O-N 3.15Å; H618-R621 PolarHBondContact O-N 3.28Å; H618-S622 WeakPolarHBondContact O-CB 3.42Å; H618-S622 PolarHBondContact O-N 2.92Å |
| 619 | E | 56.3 | Low | 56.1 | Low | 90 Ų | 90 | 74.6 Ų | 74.6 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.7 | -75.2 | 177.2 | -166 | 0 | 0 | 111.1 | Q615 R621 S622 A623 | Q615-E619 PolarHBondContact NE2-OE1 3.45Å; Q615-E619 PolarHBondContact O-N 3.11Å; E619-R621 PolarHBondContact O-N 3.29Å; E619-S622 PolarHBondContact O-N 2.94Å; E619-S622 PolarHBondContact O-OG 3.1Å; E619-A623 PolarHBondContact O-N 2.74Å |
| 620 | G | 52.9 | Low | 53.6 | Low | 45 Ų | 45 | 81.5 Ų | 81.5 | 46% | 0.464 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A616 S624 | A616-G620 PolarHBondContact O-N 3.4Å; A616-G620 VanDerWaalsContact O-N 3.13Å; G620-S624 PolarHBondContact O-N 3.17Å |
| 621 | R | 45.2 | Very low | 51.3 | Low | 173 Ų | 173 | 82 Ų | 82 | 65% | 0.653 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.5 | -33.5 | 175 | -78.6 | 179.4 | 176.4 | 174.5 | 0.8 | 113 | E617 H618 E619 S624 K625 | E617-R621 PolarHBondContact O-N 3.37Å; H618-R621 PolarHBondContact O-N 3.28Å; E619-R621 PolarHBondContact O-N 3.29Å; R621-S624 PolarHBondContact O-OG 3.03Å; R621-K625 WeakPolarHBondContact O-CB 3.33Å; R621-K625 PolarHBondContact O-N 3.38Å |
| 622 | S | 42.4 | Very low | 49 | Very low | 57 Ų | 57 | 81.6 Ų | 81.6 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 175.4 | 87.1 | 0 | 0 | 0 | 0 | 111.4 | H618 E619 S624 K625 N626 | H618-S622 WeakPolarHBondContact O-CB 3.42Å; H618-S622 PolarHBondContact O-N 2.92Å; E619-S622 PolarHBondContact O-N 2.94Å; E619-S622 PolarHBondContact O-OG 3.1Å; S622-S624 VanDerWaalsContact C-N 3.35Å; S622-K625 PolarHBondContact O-N 3.23Å; S622-N626 WeakPolarHBondContact O-CB 3.35Å; S622-N626 PolarHBondContact O-N 2.99Å |
| 623 | A | 38.6 | Very low | 46.8 | Very low | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E619 A627 | E619-A623 PolarHBondContact O-N 2.74Å; A623-A627 PolarHBondContact O-N 3.35Å; A623-A627 VanDerWaalsContact O-N 3.09Å |
| 624 | S | 37.5 | Very low | 44.7 | Very low | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 174.1 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | G620 R621 S622 A627 S628 | G620-S624 PolarHBondContact O-N 3.17Å; R621-S624 PolarHBondContact O-OG 3.03Å; S622-S624 VanDerWaalsContact C-N 3.35Å; S624-A627 WeakPolarHBondContact O-CB 3.47Å; S624-A627 PolarHBondContact O-N 3.08Å; S624-S628 PolarHBondContact O-N 3.37Å; S624-S628 VanDerWaalsContact O-N 3.11Å; S624-S628 PolarHBondContact O-OG 3Å |
| 625 | K | 33.8 | Very low | 42.7 | Very low | 144 Ų | 144 | 92.2 Ų | 92.2 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.8 | -37.5 | 174.6 | -83.2 | -172.8 | 176.4 | -176.5 | 0 | 113.3 | R621 S622 A627 S628 T629 | R621-K625 WeakPolarHBondContact O-CB 3.33Å; R621-K625 PolarHBondContact O-N 3.38Å; S622-K625 PolarHBondContact O-N 3.23Å; K625-A627 VanDerWaalsContact C-N 3.31Å; K625-S628 PolarHBondContact O-N 3.2Å; K625-S628 PolarHBondContact O-OG 2.75Å; K625-T629 WeakPolarHBondContact O-CB 3.49Å; K625-T629 PolarHBondContact O-N 3.06Å; K625-T629 PolarHBondContact O-OG1 2.85Å |
| 626 | N | 35.5 | Very low | 41.1 | Very low | 92 Ų | 92 | 93.8 Ų | 93.8 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.9 | -27.1 | 176.2 | -81 | -22.6 | 0 | 0 | 0 | 112.3 | S622 K630 | S622-N626 WeakPolarHBondContact O-CB 3.35Å; S622-N626 PolarHBondContact O-N 2.99Å; N626-K630 PolarHBondContact O-N 2.97Å |
| 627 | A | 34.4 | Very low | 39.7 | Very low | 68 Ų | 68 | 97 Ų | 97 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69 | -35.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A623 S624 K625 | A623-A627 PolarHBondContact O-N 3.35Å; A623-A627 VanDerWaalsContact O-N 3.09Å; S624-A627 WeakPolarHBondContact O-CB 3.47Å; S624-A627 PolarHBondContact O-N 3.08Å; K625-A627 VanDerWaalsContact C-N 3.31Å |
| 628 | S | 35.2 | Very low | 38.3 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -84.9 | -36.9 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | S624 K625 A631 | S624-S628 PolarHBondContact O-N 3.37Å; S624-S628 VanDerWaalsContact O-N 3.11Å; S624-S628 PolarHBondContact O-OG 3Å; K625-S628 PolarHBondContact O-N 3.2Å; K625-S628 PolarHBondContact O-OG 2.75Å; S628-A631 WeakPolarHBondContact O-CB 3.49Å; S628-A631 PolarHBondContact O-N 2.72Å |
| 629 | T | 35.2 | Very low | 37.3 | Very low | 67 Ų | 67 | 100 Ų | 100 | 41% | 0.411 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78 | -27.4 | -177.9 | 45.7 | 0 | 0 | 0 | 0 | 113.9 | K625 A631 S632 S633 | K625-T629 WeakPolarHBondContact O-CB 3.49Å; K625-T629 PolarHBondContact O-N 3.06Å; K625-T629 PolarHBondContact O-OG1 2.85Å; T629-A631 PolarHBondContact O-N 2.99Å; T629-S632 PolarHBondContact O-N 3.27Å; T629-S632 PolarHBondContact O-OG 3.22Å; T629-S633 PolarHBondContact O-N 2.99Å |
| 630 | K | 30.6 | Very low | 36.5 | Very low | 149 Ų | 149 | 106.7 Ų | 106.7 | 65% | 0.648 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -11.7 | 169.8 | -84.1 | -172.2 | 175.4 | -179.2 | 0 | 113.6 | N626 | N626-K630 PolarHBondContact O-N 2.97Š|
| 631 | A | 32.7 | Very low | 35.8 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 74% | 0.744 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -15.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S628 T629 | S628-A631 WeakPolarHBondContact O-CB 3.49Å; S628-A631 PolarHBondContact O-N 2.72Å; T629-A631 PolarHBondContact O-N 2.99Å |
| 632 | S | 33.8 | Very low | 36.1 | Very low | 98 Ų | 98 | 104.7 Ų | 104.7 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -7.1 | -179.7 | 62.4 | 0 | 0 | 0 | 0 | 115.3 | T629 | T629-S632 PolarHBondContact O-N 3.27Å; T629-S632 PolarHBondContact O-OG 3.22Å |
| 633 | S | 29.9 | Very low | 36.8 | Very low | 84 Ų | 84 | 108.3 Ų | 108.3 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -103.3 | 93.2 | 179.7 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | T629 | T629-S633 PolarHBondContact O-N 2.99Š|
| 634 | G | 31.6 | Very low | 37.6 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 66% | 0.66 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 133.8 | 117.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 635 | Q | 32.8 | Very low | 38.4 | Very low | 189 Ų | 189 | 115.5 Ų | 115.5 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 80.6 | 123.1 | 169.2 | -62.5 | 178.3 | -48.3 | 0 | 0 | 115.7 | S637 | Q635-S637 PolarHBondContact O-N 3.11Š|
| 636 | S | 34.6 | Very low | 39.5 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 85% | 0.846 | 63% | 0.632 | S | S | * | * | trans | -30.9 | 106 | 167.1 | 48.7 | 0 | 0 | 0 | 0 | 111 | E638 | S636-E638 PolarHBondContact O-N 2.89Š| ||
| 637 | S | 35.7 | Very low | 40.9 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | trans | -65.9 | 105.2 | 178.6 | 50.8 | 0 | 0 | 0 | 0 | 108.8 | Q635 | Q635-S637 PolarHBondContact O-N 3.11Š| ||
| 638 | E | 37.3 | Very low | 42.5 | Very low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | trans | -53.4 | 131.5 | 143.7 | -82.4 | -177.5 | 157.8 | 0 | 0 | 106.8 | S636 W640 | S636-E638 PolarHBondContact O-N 2.89Å; E638-W640 PolarHBondContact O-N 3.48Å; E638-W640 VanDerWaalsContact O-N 3.11Å | ||
| 639 | P | 37.8 | Very low | 44.1 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | trans | -54.9 | 124.1 | -178 | 20.1 | -29.6 | 0 | 0 | 0 | 108.7 | F641 | P639-F641 CarbonylContact O-C 3.59Å; P639-F641 PolarHBondContact O-N 3.3Å | ||
| 640 | W | 39.5 | Very low | 45.9 | Very low | 231 Ų | 231 | 118.9 Ų | 118.9 | 88% | 0.875 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -55.8 | -16.6 | -179.4 | -90 | 42.2 | 0 | 0 | 0 | 113.8 | E638 | E638-W640 PolarHBondContact O-N 3.48Å; E638-W640 VanDerWaalsContact O-N 3.11Å |
| 641 | F | 37.5 | Very low | 48.2 | Very low | 81 Ų | 81 | 116.9 Ų | 116.9 | 36% | 0.355 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -115.8 | 123 | 176.6 | -59.8 | -73.2 | 0 | 0 | 0 | 107.5 | P639 Q645 Q646 I649 | P639-F641 CarbonylContact O-C 3.59Å; P639-F641 PolarHBondContact O-N 3.3Å; F641-Q645 HydrophobicContact CB-CB 4.05Å; F641-Q645 HydrophobicContact CD1-CB 3.86Å; F641-Q645 HydrophobicContact CG-CB 4.44Å; F641-Q646 HydrophobicContact CB-CG 3.54Å; F641-Q646 HydrophobicContact CG-CG 4.34Å; F641-I649 HydrophobicContact CD1-CD1 3.89Å; F641-I649 HydrophobicContact CE1-CD1 3.61Å; F641-I649 HydrophobicContact CG-CD1 4.47Å; F641-I649 HydrophobicContact CZ-CD1 3.99Å |
| 642 | T | 52.8 | Low | 50.4 | Low | 94 Ų | 94 | 119.8 Ų | 119.8 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | trans | -56.4 | 151.1 | 159 | 50.7 | 0 | 0 | 0 | 0 | 108.5 | R644 Q645 Q646 | T642-R644 PolarHBondContact O-N 2.66Å; T642-Q645 PolarHBondContact O-N 3.02Å; T642-Q646 PolarHBondContact O-N 2.82Å | ||
| 643 | D | 57.2 | Low | 52.8 | Low | 134 Ų | 134 | 122.9 Ų | 122.9 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -49.8 | -29 | 179.1 | -69.1 | -37 | 0 | 0 | 0 | 112.6 | Y647 | D643-Y647 PolarHBondContact O-N 3.01Å |
| 644 | R | 55.3 | Low | 55.5 | Low | 194 Ų | 194 | 122.5 Ų | 122.5 | 73% | 0.732 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.4 | -43.2 | 174.5 | -165.4 | 171.5 | -173.7 | 160 | 4 | 113.5 | T642 Y647 E648 | T642-R644 PolarHBondContact O-N 2.66Å; R644-Y647 WeakPolarHBondContact O-CB 3.37Å; R644-Y647 PolarHBondContact O-N 3.01Å; R644-E648 PolarHBondContact O-N 3.05Å |
| 645 | Q | 54.1 | Low | 58.1 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73 | -32.7 | 179.4 | -72.4 | -158.1 | -43.5 | 0 | 0 | 112.7 | F641 T642 Y647 E648 I649 | F641-Q645 HydrophobicContact CB-CB 4.05Å; F641-Q645 HydrophobicContact CD1-CB 3.86Å; F641-Q645 HydrophobicContact CG-CB 4.44Å; T642-Q645 PolarHBondContact O-N 3.02Å; Q645-Y647 VanDerWaalsContact C-N 3.29Å; Q645-Y647 PolarHBondContact O-N 3.31Å; Q645-E648 PolarHBondContact O-N 3.25Å; Q645-I649 WeakPolarHBondContact O-CG1 3.49Å; Q645-I649 PolarHBondContact O-N 2.82Å |
| 646 | Q | 57 | Low | 60.7 | Low | 102 Ų | 102 | 116.4 Ų | 116.4 | 48% | 0.477 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -40.2 | 171.6 | -67.6 | -162.9 | -8.2 | 0 | 0 | 111.2 | F641 T642 I649 A650 | F641-Q646 HydrophobicContact CB-CG 3.54Å; F641-Q646 HydrophobicContact CG-CG 4.34Å; T642-Q646 PolarHBondContact O-N 2.82Å; Q646-I649 PolarHBondContact O-N 3.21Å; Q646-A650 WeakPolarHBondContact O-CB 3.43Å; Q646-A650 PolarHBondContact O-N 2.96Å |
| 647 | Y | 65 | Low | 63.4 | Low | 180 Ų | 180 | 113.2 Ų | 113.2 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.8 | -42.5 | 173.7 | -119.4 | -85.6 | 0 | 0 | 0 | 112.2 | D643 R644 Q645 A650 L651 | D643-Y647 PolarHBondContact O-N 3.01Å; R644-Y647 WeakPolarHBondContact O-CB 3.37Å; R644-Y647 PolarHBondContact O-N 3.01Å; Q645-Y647 VanDerWaalsContact C-N 3.29Å; Q645-Y647 PolarHBondContact O-N 3.31Å; Y647-A650 PolarHBondContact O-N 2.91Å; Y647-L651 WeakPolarHBondContact O-CB 3.44Å; Y647-L651 PolarHBondContact O-N 3.44Å |
| 648 | E | 67.9 | Low | 66 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 51% | 0.505 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 178.2 | -74.5 | 177 | -177.2 | 0 | 0 | 112.7 | R644 Q645 L651 Y652 | R644-E648 PolarHBondContact O-N 3.05Å; Q645-E648 PolarHBondContact O-N 3.25Å; E648-L651 PolarHBondContact O-N 3.11Å; E648-Y652 WeakPolarHBondContact O-CB 3.37Å; E648-Y652 PolarHBondContact O-N 2.92Å |
| 649 | I | 67.8 | Low | 68.5 | Low | 73 Ų | 73 | 110.4 Ų | 110.4 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.7 | -68 | 168.1 | 0 | 0 | 0 | 110.6 | F641 Q645 Q646 L651 Y652 W653 | F641-I649 HydrophobicContact CD1-CD1 3.89Å; F641-I649 HydrophobicContact CE1-CD1 3.61Å; F641-I649 HydrophobicContact CG-CD1 4.47Å; F641-I649 HydrophobicContact CZ-CD1 3.99Å; Q645-I649 WeakPolarHBondContact O-CG1 3.49Å; Q645-I649 PolarHBondContact O-N 2.82Å; Q646-I649 PolarHBondContact O-N 3.21Å; I649-L651 VanDerWaalsContact C-N 3.31Å; I649-L651 PolarHBondContact O-N 2.99Å; I649-Y652 WeakPolarHBondContact O-CB 3.45Å; I649-Y652 PolarHBondContact O-N 3.26Å; I649-W653 PolarHBondContact O-N 3.2Å |
| 650 | A | 73.1 | Confident | 71 | Confident | 53 Ų | 53 | 109.7 Ų | 109.7 | 44% | 0.438 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q646 Y647 Y652 W653 T654 | Q646-A650 WeakPolarHBondContact O-CB 3.43Å; Q646-A650 PolarHBondContact O-N 2.96Å; Y647-A650 PolarHBondContact O-N 2.91Å; A650-Y652 VanDerWaalsContact C-N 3.35Å; A650-W653 PolarHBondContact O-N 3.35Å; A650-T654 WeakPolarHBondContact O-CB 3.39Å; A650-T654 WeakPolarHBondContact O-CG2 3.43Å; A650-T654 PolarHBondContact O-N 3.2Å; A650-T654 PolarHBondContact O-OG1 2.99Å |
| 651 | L | 79.1 | Confident | 73.5 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 174.9 | -143.7 | 83.2 | 0 | 0 | 0 | 111.9 | Y647 E648 I649 T654 C655 | Y647-L651 WeakPolarHBondContact O-CB 3.44Å; Y647-L651 PolarHBondContact O-N 3.44Å; E648-L651 PolarHBondContact O-N 3.11Å; I649-L651 VanDerWaalsContact C-N 3.31Å; I649-L651 PolarHBondContact O-N 2.99Å; L651-T654 VanDerWaalsContact CA-OG1 3.22Å; L651-T654 WeakPolarHBondContact CA-OG1 3.38Å; L651-T654 PolarHBondContact O-N 3.32Å; L651-T654 PolarHBondContact O-OG1 2.85Å; L651-C655 WeakPolarHBondContact O-CB 3.48Å; L651-C655 PolarHBondContact O-N 3.06Å; L651-C655 PolarHBondContact O-SG 3.27Å |
| 652 | Y | 78.5 | Confident | 76 | Confident | 150 Ų | 150 | 107.7 Ų | 107.7 | 59% | 0.588 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -48.2 | 177.6 | -176.3 | -99.5 | 0 | 0 | 0 | 112.1 | E648 I649 A650 C655 I656 | E648-Y652 WeakPolarHBondContact O-CB 3.37Å; E648-Y652 PolarHBondContact O-N 2.92Å; I649-Y652 WeakPolarHBondContact O-CB 3.45Å; I649-Y652 PolarHBondContact O-N 3.26Å; A650-Y652 VanDerWaalsContact C-N 3.35Å; Y652-C655 WeakPolarHBondContact O-CB 3.39Å; Y652-C655 PolarHBondContact O-N 3.48Å; Y652-I656 HydrophobicContact CD1-CD1 3.86Å; Y652-I656 HydrophobicContact CE1-CD1 3.31Å; Y652-I656 HydrophobicContact CE1-CG1 4.37Å; Y652-I656 PolarHBondContact O-N 3.48Å |
| 653 | W | 84.9 | Confident | 77.8 | Confident | 164 Ų | 164 | 108.6 Ų | 108.6 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.2 | -34.9 | 178.7 | -76.9 | 110.4 | 0 | 0 | 0 | 113.1 | I649 A650 I656 A657 | I649-W653 PolarHBondContact O-N 3.2Å; A650-W653 PolarHBondContact O-N 3.35Å; W653-I656 HydrophobicContact CE3-CD1 4.3Å; W653-I656 HydrophobicContact CZ3-CD1 4.39Å; W653-I656 PolarHBondContact O-N 3.03Å; W653-A657 WeakPolarHBondContact O-CB 3.38Å; W653-A657 PolarHBondContact O-N 3.41Å |
| 654 | T | 86.2 | Confident | 79.3 | Confident | 76 Ų | 76 | 106.7 Ų | 106.7 | 47% | 0.466 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 173.2 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | A650 L651 A657 L658 | A650-T654 WeakPolarHBondContact O-CB 3.39Å; A650-T654 WeakPolarHBondContact O-CG2 3.43Å; A650-T654 PolarHBondContact O-N 3.2Å; A650-T654 PolarHBondContact O-OG1 2.99Å; L651-T654 VanDerWaalsContact CA-OG1 3.22Å; L651-T654 WeakPolarHBondContact CA-OG1 3.38Å; L651-T654 PolarHBondContact O-N 3.32Å; L651-T654 PolarHBondContact O-OG1 2.85Å; T654-A657 PolarHBondContact O-N 3.31Å; T654-L658 WeakPolarHBondContact O-CB 3.36Å; T654-L658 WeakPolarHBondContact O-CG 3.22Å; T654-L658 PolarHBondContact O-N 2.86Å |
| 655 | C | 87.2 | Confident | 81 | Confident | 67 Ų | 67 | 100.7 Ų | 100.7 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 171.9 | -77.2 | 0 | 0 | 0 | 0 | 112.5 | L651 Y652 L658 L659 | L651-C655 WeakPolarHBondContact O-CB 3.48Å; L651-C655 PolarHBondContact O-N 3.06Å; L651-C655 PolarHBondContact O-SG 3.27Å; Y652-C655 WeakPolarHBondContact O-CB 3.39Å; Y652-C655 PolarHBondContact O-N 3.48Å; C655-L658 PolarHBondContact O-N 2.77Å; C655-L659 PolarHBondContact O-N 2.95Å |
| 656 | I | 87.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 29% | 0.292 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.3 | -70.7 | 175.7 | 0 | 0 | 0 | 110.7 | Y652 W653 L658 L659 V660 | Y652-I656 HydrophobicContact CD1-CD1 3.86Å; Y652-I656 HydrophobicContact CE1-CD1 3.31Å; Y652-I656 HydrophobicContact CE1-CG1 4.37Å; Y652-I656 PolarHBondContact O-N 3.48Å; W653-I656 HydrophobicContact CE3-CD1 4.3Å; W653-I656 HydrophobicContact CZ3-CD1 4.39Å; W653-I656 PolarHBondContact O-N 3.03Å; I656-L658 VanDerWaalsContact C-N 3.32Å; I656-L658 PolarHBondContact O-N 2.98Å; I656-L659 PolarHBondContact O-N 3.03Å; I656-V660 HydrophobicContact CG2-CG2 4.47Å; I656-V660 WeakPolarHBondContact O-CG2 3.49Å; I656-V660 PolarHBondContact O-N 3.27Å |
| 657 | A | 90.1 | Very high | 83.7 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | W653 T654 V660 M661 | W653-A657 WeakPolarHBondContact O-CB 3.38Å; W653-A657 PolarHBondContact O-N 3.41Å; T654-A657 PolarHBondContact O-N 3.31Å; A657-V660 PolarHBondContact O-N 3.23Å; A657-M661 WeakPolarHBondContact O-CB 3.42Å; A657-M661 WeakPolarHBondContact O-CG 3.47Å; A657-M661 PolarHBondContact O-N 3.47Å |
| 658 | L | 91.2 | Very high | 84.4 | Confident | 100 Ų | 100 | 93.6 Ų | 93.6 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 174.9 | -74.4 | 171 | 0 | 0 | 0 | 112.1 | T654 C655 I656 V660 M661 F662 | T654-L658 WeakPolarHBondContact O-CB 3.36Å; T654-L658 WeakPolarHBondContact O-CG 3.22Å; T654-L658 PolarHBondContact O-N 2.86Å; C655-L658 PolarHBondContact O-N 2.77Å; I656-L658 VanDerWaalsContact C-N 3.32Å; I656-L658 PolarHBondContact O-N 2.98Å; L658-V660 PolarHBondContact O-N 3.23Å; L658-M661 WeakPolarHBondContact O-CB 3.12Å; L658-M661 PolarHBondContact O-N 3.4Å; L658-F662 WeakPolarHBondContact O-CD2 3.35Å; L658-F662 PolarHBondContact O-N 3.25Å |
| 659 | L | 88.3 | Confident | 84.8 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 176.2 | -97.3 | 159.9 | 0 | 0 | 0 | 112.3 | C655 I656 M661 F662 L663 | C655-L659 PolarHBondContact O-N 2.95Å; I656-L659 PolarHBondContact O-N 3.03Å; L659-M661 VanDerWaalsContact C-N 3.34Å; L659-F662 PolarHBondContact O-N 2.9Å; L659-L663 PolarHBondContact O-N 3.5Å |
| 660 | V | 91.9 | Very high | 84.9 | Confident | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | I656 A657 L658 L663 L664 | I656-V660 HydrophobicContact CG2-CG2 4.47Å; I656-V660 WeakPolarHBondContact O-CG2 3.49Å; I656-V660 PolarHBondContact O-N 3.27Å; A657-V660 PolarHBondContact O-N 3.23Å; L658-V660 PolarHBondContact O-N 3.23Å; V660-L663 PolarHBondContact O-N 3.47Å; V660-L664 HydrophobicContact CG1-CD1 4Å; V660-L664 HydrophobicContact CG1-CG 4.49Å; V660-L664 WeakPolarHBondContact O-CG 3.37Å; V660-L664 PolarHBondContact O-N 3.49Å |
| 661 | M | 91.8 | Very high | 84.9 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 174.9 | -80.9 | -72.5 | -70.3 | 0 | 0 | 112.5 | A657 L658 L659 L663 L664 V665 | A657-M661 WeakPolarHBondContact O-CB 3.42Å; A657-M661 WeakPolarHBondContact O-CG 3.47Å; A657-M661 PolarHBondContact O-N 3.47Å; L658-M661 WeakPolarHBondContact O-CB 3.12Å; L658-M661 PolarHBondContact O-N 3.4Å; L659-M661 VanDerWaalsContact C-N 3.34Å; M661-L663 PolarHBondContact O-N 3Å; M661-L664 PolarHBondContact O-N 3.4Å; M661-V665 WeakPolarHBondContact O-CB 3.27Å; M661-V665 VanDerWaalsContact O-CG2 3.3Å; M661-V665 WeakPolarHBondContact O-CG2 3.32Å; M661-V665 PolarHBondContact O-N 2.94Å |
| 662 | F | 90.3 | Very high | 84.4 | Confident | 154 Ų | 154 | 98.1 Ų | 98.1 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 176.5 | -81.4 | -65.4 | 0 | 0 | 0 | 112.4 | L658 L659 V665 G666 | L658-F662 WeakPolarHBondContact O-CD2 3.35Å; L658-F662 PolarHBondContact O-N 3.25Å; L659-F662 PolarHBondContact O-N 2.9Å; F662-V665 PolarHBondContact O-N 3Å; F662-G666 PolarHBondContact O-N 3.35Å |
| 663 | L | 88.8 | Confident | 83.3 | Confident | 113 Ų | 113 | 95.2 Ų | 95.2 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -46.1 | 173.8 | -93 | 158.7 | 0 | 0 | 0 | 111.6 | L659 V660 M661 G666 I667 | L659-L663 PolarHBondContact O-N 3.5Å; V660-L663 PolarHBondContact O-N 3.47Å; M661-L663 PolarHBondContact O-N 3Å; L663-G666 PolarHBondContact O-N 3.4Å; L663-I667 VanDerWaalsContact O-CG1 3.27Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 2.94Å |
| 664 | L | 90.4 | Very high | 81.5 | Confident | 93 Ų | 93 | 90.5 Ų | 90.5 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 178.7 | -72 | 170.3 | 0 | 0 | 0 | 112.3 | V660 M661 I667 L668 | V660-L664 HydrophobicContact CG1-CD1 4Å; V660-L664 HydrophobicContact CG1-CG 4.49Å; V660-L664 WeakPolarHBondContact O-CG 3.37Å; V660-L664 PolarHBondContact O-N 3.49Å; M661-L664 PolarHBondContact O-N 3.4Å; L664-I667 PolarHBondContact O-N 3.23Å; L664-L668 WeakPolarHBondContact O-CB 3.25Å; L664-L668 PolarHBondContact O-N 3.05Å |
| 665 | V | 89.5 | Confident | 79.4 | Confident | 69 Ų | 69 | 96.2 Ų | 96.2 | 42% | 0.418 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | M661 F662 L668 L669 | M661-V665 WeakPolarHBondContact O-CB 3.27Å; M661-V665 VanDerWaalsContact O-CG2 3.3Å; M661-V665 WeakPolarHBondContact O-CG2 3.32Å; M661-V665 PolarHBondContact O-N 2.94Å; F662-V665 PolarHBondContact O-N 3Å; V665-L668 PolarHBondContact O-N 2.96Å; V665-L669 HydrophobicContact CG1-CD1 4.01Å; V665-L669 HydrophobicContact CG1-CG 4.35Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 WeakPolarHBondContact O-CG 3.3Å; V665-L669 PolarHBondContact O-N 3.35Å |
| 666 | G | 83.8 | Confident | 77.2 | Confident | 30 Ų | 30 | 97.8 Ų | 97.8 | 31% | 0.309 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -42.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F662 L663 L669 L670 | F662-G666 PolarHBondContact O-N 3.35Å; L663-G666 PolarHBondContact O-N 3.4Å; G666-L669 PolarHBondContact O-N 3.36Å; G666-L670 WeakPolarHBondContact O-CG 3.46Å; G666-L670 PolarHBondContact O-N 3.29Å |
| 667 | I | 84 | Confident | 74.9 | Confident | 87 Ų | 87 | 104.4 Ų | 104.4 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -44.3 | 174.4 | -67.6 | 165 | 0 | 0 | 0 | 110.6 | L663 L664 L669 L670 I671 | L663-I667 VanDerWaalsContact O-CG1 3.27Å; L663-I667 WeakPolarHBondContact O-CG1 3.37Å; L663-I667 PolarHBondContact O-N 2.94Å; L664-I667 PolarHBondContact O-N 3.23Å; I667-L669 PolarHBondContact O-N 2.98Å; I667-L670 PolarHBondContact O-N 2.87Å; I667-I671 HydrophobicContact CG2-CD1 3.79Å; I667-I671 VanDerWaalsContact O-CG1 3.25Å; I667-I671 WeakPolarHBondContact O-CG1 3.49Å; I667-I671 PolarHBondContact O-N 3.22Å |
| 668 | L | 80.6 | Confident | 72.2 | Confident | 105 Ų | 105 | 113.1 Ų | 113.1 | 55% | 0.55 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 176.3 | -92 | 155 | 0 | 0 | 0 | 112.5 | L664 V665 I671 C672 | L664-L668 WeakPolarHBondContact O-CB 3.25Å; L664-L668 PolarHBondContact O-N 3.05Å; V665-L668 PolarHBondContact O-N 2.96Å; L668-I671 PolarHBondContact O-N 3.32Å; L668-C672 WeakPolarHBondContact O-CB 3.36Å; L668-C672 PolarHBondContact O-N 2.86Å; L668-C672 PolarHBondContact O-SG 2.99Å |
| 669 | L | 75.6 | Confident | 69.5 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 53% | 0.534 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.4 | -40.3 | 175.5 | -75.2 | 170.8 | 0 | 0 | 0 | 111.8 | V665 G666 I667 I671 C672 C673 | V665-L669 HydrophobicContact CG1-CD1 4.01Å; V665-L669 HydrophobicContact CG1-CG 4.35Å; V665-L669 WeakPolarHBondContact O-CB 3.45Å; V665-L669 WeakPolarHBondContact O-CG 3.3Å; V665-L669 PolarHBondContact O-N 3.35Å; G666-L669 PolarHBondContact O-N 3.36Å; I667-L669 PolarHBondContact O-N 2.98Å; L669-I671 VanDerWaalsContact C-N 3.32Å; L669-I671 PolarHBondContact O-N 3.48Å; L669-C672 PolarHBondContact O-N 3.48Å; L669-C673 VanDerWaalsContact O-CB 3.23Å; L669-C673 WeakPolarHBondContact O-CB 3.45Å; L669-C673 PolarHBondContact O-N 2.96Å |
| 670 | L | 69.6 | Low | 67 | Low | 132 Ų | 132 | 116.7 Ų | 116.7 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.3 | -39.7 | 173.9 | -77.2 | 165.8 | 0 | 0 | 0 | 111.7 | G666 I667 G674 | G666-L670 WeakPolarHBondContact O-CG 3.46Å; G666-L670 PolarHBondContact O-N 3.29Å; I667-L670 PolarHBondContact O-N 2.87Å; L670-G674 WeakPolarHBondContact O-CA 3.37Å; L670-G674 PolarHBondContact O-N 2.95Å |
| 671 | I | 74.7 | Confident | 64.1 | Low | 111 Ų | 111 | 123.9 Ų | 123.9 | 57% | 0.569 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 176.2 | -66.2 | 165.4 | 0 | 0 | 0 | 111.1 | I667 L668 L669 | I667-I671 HydrophobicContact CG2-CD1 3.79Å; I667-I671 VanDerWaalsContact O-CG1 3.25Å; I667-I671 WeakPolarHBondContact O-CG1 3.49Å; I667-I671 PolarHBondContact O-N 3.22Å; L668-I671 PolarHBondContact O-N 3.32Å; L669-I671 VanDerWaalsContact C-N 3.32Å; L669-I671 PolarHBondContact O-N 3.48Å |
| 672 | C | 67.8 | Low | 61.2 | Low | 91 Ų | 91 | 130.3 Ų | 130.3 | 62% | 0.615 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.1 | -41.1 | -180 | -72.9 | 0 | 0 | 0 | 0 | 112.7 | L668 L669 | L668-C672 WeakPolarHBondContact O-CB 3.36Å; L668-C672 PolarHBondContact O-N 2.86Å; L668-C672 PolarHBondContact O-SG 2.99Å; L669-C672 PolarHBondContact O-N 3.48Å |
| 673 | C | 55.7 | Low | 58.5 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -79.7 | -21.9 | 177.7 | -69.1 | 0 | 0 | 0 | 0 | 112.7 | L669 K675 S676 | L669-C673 VanDerWaalsContact O-CB 3.23Å; L669-C673 WeakPolarHBondContact O-CB 3.45Å; L669-C673 PolarHBondContact O-N 2.96Å; C673-K675 PolarHBondContact O-N 3.29Å; C673-S676 PolarHBondContact O-N 2.96Å; C673-S676 VanDerWaalsContact O-N 3.13Å |
| 674 | G | 47.4 | Very low | 55.8 | Low | 65 Ų | 65 | 132.8 Ų | 132.8 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -6.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L670 | L670-G674 WeakPolarHBondContact O-CA 3.37Å; L670-G674 PolarHBondContact O-N 2.95Å |
| 675 | K | 42.4 | Very low | 52.9 | Low | 196 Ų | 196 | 133.3 Ų | 133.3 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 1 | 173.8 | -72 | -169.3 | 176.1 | -179.3 | 0 | 114.7 | C673 K677 | C673-K675 PolarHBondContact O-N 3.29Å; K675-K677 PolarHBondContact O-N 3.48Å |
| 676 | S | 40.2 | Very low | 50.1 | Low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -90.7 | 96.3 | 179.3 | -170.7 | 0 | 0 | 0 | 0 | 112.5 | C673 | C673-S676 PolarHBondContact O-N 2.96Å; C673-S676 VanDerWaalsContact O-N 3.13Å |
| 677 | K | 38.6 | Very low | 47.5 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | trans | 38.6 | 86.2 | 154.7 | -69.4 | -178.9 | 176.7 | 177.1 | 0 | 117.1 | K675 S679 | K675-K677 PolarHBondContact O-N 3.48Å; K677-S679 PolarHBondContact O-N 3.28Å | ||
| 678 | Y | 34.7 | Very low | 45 | Very low | 238 Ų | 238 | 152.2 Ų | 152.2 | 93% | 0.933 | 75% | 0.754 | S | S | * | * | trans | -67.9 | 92.1 | 158.7 | -125.3 | -98.1 | 0 | 0 | 0 | 109.7 | ||||
| 679 | S | 34.4 | Very low | 42.8 | Very low | 101 Ų | 101 | 152.2 Ų | 152.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -85 | 115.5 | 168.3 | 167.1 | 0 | 0 | 0 | 0 | 108.7 | K677 R681 | K677-S679 PolarHBondContact O-N 3.28Å; S679-R681 PolarHBondContact O-N 2.93Å | ||
| 680 | Q | 35.2 | Very low | 40.7 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -59.9 | 99.6 | 176.2 | -77.1 | -179.4 | -25.9 | 0 | 0 | 111.1 | ||||
| 681 | R | 31.8 | Very low | 39 | Very low | 226 Ų | 226 | 156.2 Ų | 156.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -107.1 | 100.6 | 156.8 | -95.4 | -176.9 | 172.4 | 175.9 | -1.9 | 108.9 | S679 V683 | S679-R681 PolarHBondContact O-N 2.93Å; R681-V683 PolarHBondContact O-N 3.4Å | ||
| 682 | R | 29.8 | Very low | 37 | Very low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 79% | 0.79 | S | S | * | * | trans | -59.6 | 93.9 | 165.1 | -82.8 | 178.5 | 170.4 | 172.6 | -3.1 | 108.6 | ||||
| 683 | V | 34.3 | Very low | 35.3 | Very low | 116 Ų | 116 | 159.2 Ų | 159.2 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | trans | -87.4 | 109.5 | 164.2 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | R681 C685 | R681-V683 PolarHBondContact O-N 3.4Å; V683-C685 VanDerWaalsContact C-N 3.32Å; V683-C685 PolarHBondContact O-N 2.84Å | ||
| 684 | K | 30.5 | Very low | 34.3 | Very low | 203 Ų | 203 | 161.5 Ų | 161.5 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -76.5 | 81.8 | 178.7 | -143.2 | -177.3 | -171.8 | -174.7 | 0 | 107.4 | M686 | K684-M686 PolarHBondContact O-N 2.89Š| ||
| 685 | C | 30.7 | Very low | 33.7 | Very low | 103 Ų | 103 | 166.3 Ų | 166.3 | 70% | 0.696 | 82% | 0.82 | S | S | * | * | trans | -74.4 | 108.4 | 172.5 | -77.6 | 0 | 0 | 0 | 0 | 108.8 | V683 Y687 | V683-C685 VanDerWaalsContact C-N 3.32Å; V683-C685 PolarHBondContact O-N 2.84Å; C685-Y687 PolarHBondContact O-N 2.97Å | ||
| 686 | M | 30.2 | Very low | 33.3 | Very low | 188 Ų | 188 | 163.9 Ų | 163.9 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -63.2 | 112.7 | 165.3 | -65.6 | -171.7 | -164.2 | 0 | 0 | 107.8 | K684 | K684-M686 PolarHBondContact O-N 2.89Š| ||
| 687 | Y | 29.4 | Very low | 33 | Very low | 221 Ų | 221 | 168.4 Ų | 168.4 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -92.6 | 103.5 | 169.3 | -124.6 | -92.8 | 0 | 0 | 0 | 106.9 | C685 | C685-Y687 PolarHBondContact O-N 2.97Š| ||
| 688 | E | 30.6 | Very low | 32.5 | Very low | 175 Ų | 175 | 164.2 Ų | 164.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 121.9 | 165.1 | -120.2 | 172.7 | -179.2 | 0 | 0 | 107.7 | L690 | E688-L690 PolarHBondContact O-N 3.43Š| ||
| 689 | P | 34.3 | Very low | 32.3 | Very low | 104 Ų | 104 | 159 Ų | 159 | 68% | 0.675 | 81% | 0.81 | S | S | * | * | trans | -71.7 | 114 | -178.8 | 26.4 | -29.9 | 0 | 0 | 0 | 109.6 | T691 | P689-T691 VanDerWaalsContact C-N 3.34Å; P689-T691 PolarHBondContact O-N 3Å | ||
| 690 | L | 32.9 | Very low | 32 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | -63.5 | 95.4 | 168.5 | -78.3 | 163.6 | 0 | 0 | 0 | 109 | E688 G692 | E688-L690 PolarHBondContact O-N 3.43Å; L690-G692 PolarHBondContact O-N 3.33Å | ||
| 691 | T | 33.2 | Very low | 31.7 | Very low | 140 Ų | 140 | 156.3 Ų | 156.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -77.1 | 67.4 | 171 | 43.9 | 0 | 0 | 0 | 0 | 109.4 | P689 | P689-T691 VanDerWaalsContact C-N 3.34Å; P689-T691 PolarHBondContact O-N 3Å | ||
| 692 | G | 32.1 | Very low | 31.4 | Very low | 60 Ų | 60 | 154.9 Ų | 154.9 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | trans | -104.6 | 95.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L690 N694 | L690-G692 PolarHBondContact O-N 3.33Å; G692-N694 PolarHBondContact O-N 2.85Å | ||
| 693 | K | 32.1 | Very low | 31.3 | Very low | 204 Ų | 204 | 150.9 Ų | 150.9 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -57.3 | 101.1 | 159.6 | -82 | 178.7 | 172.1 | 179.5 | 0 | 108 | ||||
| 694 | N | 35.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 152 Ų | 152 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -129.7 | 103.4 | 164.5 | -91.2 | -17.2 | 0 | 0 | 0 | 108 | G692 I696 | G692-N694 PolarHBondContact O-N 2.85Å; N694-I696 HydrophobicContact CB-CG1 4.41Å; N694-I696 PolarHBondContact O-N 3.47Å | ||
| 695 | D | 34.2 | Very low | 30.7 | Very low | 167 Ų | 167 | 154.6 Ų | 154.6 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -62.1 | 78 | 168.4 | -70.2 | -47.9 | 0 | 0 | 0 | 109.8 | K697 | D695-K697 PolarHBondContact O-N 3.29Š| ||
| 696 | I | 34.6 | Very low | 30.7 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -91 | 90.7 | 167.5 | -58.2 | 177.1 | 0 | 0 | 0 | 106.2 | N694 S698 | N694-I696 HydrophobicContact CB-CG1 4.41Å; N694-I696 PolarHBondContact O-N 3.47Å; I696-S698 PolarHBondContact O-N 2.88Å | ||
| 697 | K | 32.7 | Very low | 30.7 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -51.5 | 111.1 | 162.7 | -78.9 | -176.9 | 175.4 | -177.8 | 0 | 107.6 | D695 V699 | D695-K697 PolarHBondContact O-N 3.29Å; K697-V699 PolarHBondContact O-N 3.04Å; K697-V699 VanDerWaalsContact O-N 3.1Å | ||
| 698 | S | 29.2 | Very low | 30.8 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -58.3 | 110.1 | 172.8 | 51.2 | 0 | 0 | 0 | 0 | 109.1 | I696 P700 | I696-S698 PolarHBondContact O-N 2.88Å; S698-P700 WeakPolarHBondContact O-CD 3.35Å | ||
| 699 | V | 29.8 | Very low | 30.8 | Very low | 130 Ų | 130 | 150.5 Ų | 150.5 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | trans | -75.9 | 115.8 | 167.3 | 179 | 0 | 0 | 0 | 0 | 106.8 | K697 T701 | K697-V699 PolarHBondContact O-N 3.04Å; K697-V699 VanDerWaalsContact O-N 3.1Å; V699-T701 PolarHBondContact O-N 3.13Å | ||
| 700 | P | 29.1 | Very low | 30.6 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 60% | 0.604 | 82% | 0.815 | S | S | * | * | trans | -67.8 | 120.5 | 178.9 | -14.4 | 29.2 | 0 | 0 | 0 | 109.6 | S698 Y702 | S698-P700 WeakPolarHBondContact O-CD 3.35Å; P700-Y702 WeakPolarHBondContact O-CD2 3.23Å; P700-Y702 PolarHBondContact O-N 2.98Å | ||
| 701 | T | 27.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 151.7 Ų | 151.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -69.1 | 107.2 | 169.7 | 27.4 | 0 | 0 | 0 | 0 | 109.3 | V699 Q703 | V699-T701 PolarHBondContact O-N 3.13Å; T701-Q703 PolarHBondContact O-N 2.78Å; T701-Q703 VanDerWaalsContact O-N 3.1Å | ||
| 702 | Y | 26.7 | Very low | 30.2 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 107.7 | 172.9 | -68.9 | -89.5 | 0 | 0 | 0 | 109.8 | P700 T704 | P700-Y702 WeakPolarHBondContact O-CD2 3.23Å; P700-Y702 PolarHBondContact O-N 2.98Å; Y702-T704 PolarHBondContact O-N 3.29Å | ||
| 703 | Q | 26.9 | Very low | 30 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -72.5 | 106.1 | 160 | -79.7 | -176.3 | -30.1 | 0 | 0 | 107.2 | T701 F705 | T701-Q703 PolarHBondContact O-N 2.78Å; T701-Q703 VanDerWaalsContact O-N 3.1Å; Q703-F705 PolarHBondContact O-N 3.35Å; Q703-F705 VanDerWaalsContact O-N 3.15Å | ||
| 704 | T | 26.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 156 Ų | 156 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 112.3 | 165.9 | 40.6 | 0 | 0 | 0 | 0 | 108.5 | Y702 | Y702-T704 PolarHBondContact O-N 3.29Š| ||
| 705 | F | 25.1 | Very low | 29.3 | Very low | 258 Ų | 258 | 157.6 Ų | 157.6 | 100% | 1.132 | 82% | 0.818 | S | S | * | * | trans | -82.5 | 0 | 169.8 | -95.3 | -83.4 | 0 | 0 | 0 | 111.2 | Q703 | Q703-F705 PolarHBondContact O-N 3.35Å; Q703-F705 VanDerWaalsContact O-N 3.15Å |
Retrieved 705 of 705 residues in 534.7 ms
(Link to these results)