| 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 | 57.5 | Low | 45.9 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 100% | 1.227 | 83% | 0.834 | S | S | * | * | 0 | 103.2 | 0 | -71.4 | -178.3 | 168.2 | 0 | 0 | 107.6 | |||||
| 2 | L | 44.3 | Very low | 45.6 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | trans | -73.6 | 159.6 | 168 | -132.6 | 79 | 0 | 0 | 0 | 108.5 | L4 | L2-L4 HydrophobicContact CD2-CD1 3.88Š| ||
| 3 | P | 53.6 | Low | 45.7 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | -140 | 144.8 | 59.9 | 18.9 | 7.4 | 0 | 0 | 0 | 114.1 | |||||
| 4 | L | 44.7 | Very low | 45.2 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 69% | 0.686 | 82% | 0.819 | S | S | * | * | 102 | 105.7 | 70.7 | -150.2 | 92.8 | 0 | 0 | 0 | 111.1 | L2 L6 | L2-L4 HydrophobicContact CD2-CD1 3.88Å; L4-L6 HydrophobicContact CD2-CD1 4.25Å | |||
| 5 | L | 39.6 | Very low | 44.9 | Very low | 143 Ų | 143 | 148 Ų | 148 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -64.3 | 135.8 | 165.4 | -88.1 | 79.3 | 0 | 0 | 0 | 110 | ||||
| 6 | L | 45.9 | Very low | 44.5 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | -117.6 | 113.9 | 154.1 | -107.6 | 98.5 | 0 | 0 | 0 | 108.8 | L4 | L4-L6 HydrophobicContact CD2-CD1 4.25Š| ||
| 7 | H | 45.4 | Very low | 44.2 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 116.5 | 166.2 | -80.1 | -5.8 | 0 | 0 | 0 | 109.3 | L9 | H7-L9 PolarHBondContact O-N 2.83Š| ||
| 8 | L | 46.8 | Very low | 43.7 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -76.9 | 103.9 | 165.9 | -85.3 | 148.7 | 0 | 0 | 0 | 108.7 | A10 | L8-A10 PolarHBondContact O-N 3.03Š| ||
| 9 | L | 40.4 | Very low | 43.7 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 99.7 | 162.1 | -84.5 | 153.2 | 0 | 0 | 0 | 108.2 | H7 L11 | H7-L9 PolarHBondContact O-N 2.83Å; L9-L11 PolarHBondContact O-N 3.2Å | ||
| 10 | A | 46.3 | Very low | 43.9 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -80 | 104.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | L8 | L8-A10 PolarHBondContact O-N 3.03Š| ||
| 11 | L | 40.7 | Very low | 43.7 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -67 | 133.8 | 167.1 | -80 | 154.5 | 0 | 0 | 0 | 109.2 | L9 I13 | L9-L11 PolarHBondContact O-N 3.2Å; L11-I13 PolarHBondContact O-N 3.24Å | ||
| 12 | P | 42.2 | Very low | 43.1 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | trans | -74.4 | 120.2 | 170.8 | 30.8 | -28.3 | 0 | 0 | 0 | 107.9 | S14 | P12-S14 VanDerWaalsContact C-N 3.28Å; P12-S14 PolarHBondContact O-N 3.14Å | ||
| 13 | I | 46.9 | Very low | 42.9 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -69.1 | 95.1 | 164.4 | -59.9 | 171.3 | 0 | 0 | 0 | 106.1 | L11 N15 | L11-I13 PolarHBondContact O-N 3.24Å; I13-N15 PolarHBondContact O-N 3.13Å; I13-N15 VanDerWaalsContact O-N 3.07Å | ||
| 14 | S | 38.9 | Very low | 42.5 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -66.5 | 97.3 | 164.5 | 50.9 | 0 | 0 | 0 | 0 | 108.2 | P12 A16 | P12-S14 VanDerWaalsContact C-N 3.28Å; P12-S14 PolarHBondContact O-N 3.14Å; S14-A16 VanDerWaalsContact C-N 3.34Å; S14-A16 PolarHBondContact O-N 3.01Å | ||
| 15 | N | 40.3 | Very low | 43.1 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -64.7 | 98.2 | 161.1 | -103.8 | 0.7 | 0 | 0 | 0 | 107.4 | I13 Q17 | I13-N15 PolarHBondContact O-N 3.13Å; I13-N15 VanDerWaalsContact O-N 3.07Å; N15-Q17 PolarHBondContact O-N 2.62Å | ||
| 16 | A | 38 | Very low | 44.5 | Very low | 92 Ų | 92 | 132.8 Ų | 132.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | trans | -67.4 | 101 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S14 Q18 | S14-A16 VanDerWaalsContact C-N 3.34Å; S14-A16 PolarHBondContact O-N 3.01Å; A16-Q18 PolarHBondContact O-N 3.36Å; A16-Q18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | Q | 39.3 | Very low | 46.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | trans | -64.3 | 108.1 | 166.9 | -79.8 | 172.1 | -80.1 | 0 | 0 | 108.4 | N15 S19 | N15-Q17 PolarHBondContact O-N 2.62Å; Q17-S19 VanDerWaalsContact C-N 3.34Å; Q17-S19 PolarHBondContact O-N 2.9Å; Q17-S19 VanDerWaalsContact O-N 3.07Å | ||
| 18 | Q | 35.4 | Very low | 48.7 | Very low | 191 Ų | 191 | 123 Ų | 123 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -73.5 | 89.9 | 166.3 | -78.9 | 176.5 | -21.4 | 0 | 0 | 108.6 | A16 R20 | A16-Q18 PolarHBondContact O-N 3.36Å; A16-Q18 VanDerWaalsContact O-N 3.14Å; Q18-R20 PolarHBondContact O-N 3.45Å | ||
| 19 | S | 44.2 | Very low | 51.1 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.6 | 148.1 | 50.6 | 0 | 0 | 0 | 0 | 107 | Q17 | Q17-S19 VanDerWaalsContact C-N 3.34Å; Q17-S19 PolarHBondContact O-N 2.9Å; Q17-S19 VanDerWaalsContact O-N 3.07Å |
| 20 | R | 46.7 | Very low | 53.9 | Low | 194 Ų | 194 | 113.4 Ų | 113.4 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 127.7 | 169.3 | -82.4 | -177.1 | 178.5 | 171.7 | 1.7 | 107.6 | Q18 D22 | Q18-R20 PolarHBondContact O-N 3.45Å; R20-D22 PolarHBondContact O-N 3.32Å |
| 21 | P | 39.6 | Very low | 56.4 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.8 | 173.6 | 24.7 | -29.5 | 0 | 0 | 0 | 107.8 | G23 | P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 3.35Å |
| 22 | D | 45.3 | Very low | 59.1 | Low | 158 Ų | 158 | 102.2 Ų | 102.2 | 85% | 0.845 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 96.1 | 161.7 | -78.9 | -43.8 | 0 | 0 | 0 | 107.4 | R20 | R20-D22 PolarHBondContact O-N 3.32Š|
| 23 | G | 40.9 | Very low | 61.8 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 71% | 0.711 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.5 | -2.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 120 | P21 S25 | P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 3.35Å; G23-S25 PolarHBondContact O-N 2.67Å |
| 24 | D | 45.2 | Very low | 64.3 | Low | 101 Ų | 101 | 89.4 Ų | 89.4 | 54% | 0.54 | 52% | 0.522 | S | S | . | . | trans | -82.5 | 106.5 | 162.4 | -168.1 | 2.3 | 0 | 0 | 0 | 109 | S26 S27 | D24-S26 PolarHBondContact O-N 2.95Å; D24-S26 PolarHBondContact OD1-N 3Å; D24-S26 PolarHBondContact OD1-OG 3.39Å; D24-S26 PolarHBondContact OD2-OG 3.34Å; D24-S27 PolarHBondContact O-N 2.89Å; D24-S27 VanDerWaalsContact O-N 3.14Å; D24-S27 PolarHBondContact O-OG 3.1Å | ||
| 25 | S | 57.3 | Low | 67.2 | Low | 129 Ų | 129 | 84.3 Ų | 84.3 | 90% | 0.902 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -7.8 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | G23 | G23-S25 PolarHBondContact O-N 2.67Š|
| 26 | S | 68.6 | Low | 70 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 61% | 0.608 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -22.3 | 178.9 | 76.7 | 0 | 0 | 0 | 0 | 114.8 | D24 | D24-S26 PolarHBondContact O-N 2.95Å; D24-S26 PolarHBondContact OD1-N 3Å; D24-S26 PolarHBondContact OD1-OG 3.39Å; D24-S26 PolarHBondContact OD2-OG 3.34Å |
| 27 | S | 85 | Confident | 72.9 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 47% | 0.469 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -81.7 | 142.1 | -175.8 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | D24 K29 | D24-S27 PolarHBondContact O-N 2.89Å; D24-S27 VanDerWaalsContact O-N 3.14Å; D24-S27 PolarHBondContact O-OG 3.1Å; S27-K29 PolarHBondContact O-N 3.27Å |
| 28 | P | 94.1 | Very high | 75.7 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 27% | 0.266 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 134.5 | -179 | 27.8 | -36.3 | 0 | 0 | 0 | 110.7 | L30 N139 | P28-L30 PolarHBondContact O-N 2.89Å; P28-N139 WeakPolarHBondContact CB-O 3.5Å |
| 29 | K | 97.9 | Very high | 78.6 | Confident | 117 Ų | 117 | 59.1 Ų | 59.1 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 130.3 | 169.2 | -61.7 | 173.8 | -177.8 | 173.2 | 0 | 108.8 | S27 D140 H141 | S27-K29 PolarHBondContact O-N 3.27Å; K29-D140 HydrophobicContact CB-CB 4.45Å; K29-D140 WeakPolarHBondContact CB-OD1 3.47Å; K29-D140 PolarHBondContact N-OD1 3.42Å; K29-D140 VanDerWaalsContact N-OD1 3.12Å; K29-D140 WeakPolarHBondContact O-CA 3.47Å; K29-D140 VanDerWaalsContact O-CB 3.31Å; K29-D140 WeakPolarHBondContact O-CB 3.41Å; K29-H141 PolarHBondContact O-N 2.98Å |
| 30 | L | 98.6 | Very high | 81.2 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.115 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.2 | 171.9 | -48.4 | -171.8 | 0 | 0 | 0 | 110.4 | P28 V62 R66 H141 E284 | P28-L30 PolarHBondContact O-N 2.89Å; L30-V62 HydrophobicContact CB-CG1 4.42Å; L30-V62 HydrophobicContact CB-CG2 4.29Å; L30-V62 HydrophobicContact CD1-CG2 4.17Å; L30-R66 WeakPolarHBondContact O-CB 3.47Å; L30-R66 WeakPolarHBondContact O-CD 3.35Å; L30-R66 PolarHBondContact O-NH1 3.4Å; L30-H141 HydrophobicContact CD2-CB 3.89Å; L30-E284 WeakPolarHBondContact CD2-O 3.08Å |
| 31 | W | 98.8 | Very high | 83.6 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 8% | 0.076 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.7 | 175 | -65.6 | 87.9 | 0 | 0 | 0 | 110 | R66 I134 D135 D140 H141 I142 F143 | W31-R66 CarbonylContact C-O 3.55Å; W31-R66 WeakPolarHBondContact CA-O 3.25Å; W31-R66 HydrophobicContact CD2-CB 4.07Å; W31-R66 HydrophobicContact CD2-CG 4.07Å; W31-R66 HydrophobicContact CE3-CB 3.74Å; W31-R66 HydrophobicContact CE3-CG 3.84Å; W31-R66 HydrophobicContact CH2-CG 3.85Å; W31-R66 HydrophobicContact CZ2-CG 4.11Å; W31-R66 HydrophobicContact CZ3-CB 4.04Å; W31-R66 HydrophobicContact CZ3-CG 3.74Å; W31-I134 HydrophobicContact CB-CD1 4.27Å; W31-I134 HydrophobicContact CB-CG2 3.87Å; W31-I134 HydrophobicContact CD2-CG2 4.08Å; W31-I134 HydrophobicContact CE3-CD1 4.28Å; W31-I134 HydrophobicContact CE3-CG2 4.16Å; W31-I134 HydrophobicContact CG-CG2 3.98Å; W31-D135 HydrophobicContact CH2-CB 3.63Å; W31-D135 VanDerWaalsContact CZ2-C 3.48Å; W31-D135 HydrophobicContact CZ2-CB 4.09Å; W31-D135 WeakPolarHBondContact CZ2-O 3.34Å; W31-D135 HydrophobicContact CZ3-CB 4.25Å; W31-D140 PolarHBondContact NE1-OD2 3.17Å; W31-H141 PolarHBondContact N-O 2.59Å; W31-I142 HydrophobicContact CB-CG1 4.32Å; W31-I142 CarbonylContact O-C 3.6Å; W31-I142 WeakPolarHBondContact O-CA 3.45Å; W31-F143 PolarHBondContact O-N 3.5Å |
| 32 | A | 98.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L34 L57 R66 I67 V68 I134 F143 | A32-L34 HydrophobicContact CB-CD2 4.49Å; A32-L57 HydrophobicContact CB-CD1 3.37Å; A32-R66 PolarHBondContact N-O 3.07Å; A32-I67 HydrophobicContact CB-CG1 4.35Å; A32-I67 HydrophobicContact CB-CG2 4.27Å; A32-V68 PolarHBondContact O-N 3.25Å; A32-I134 WeakPolarHBondContact O-CD1 3.37Å; A32-F143 CarbonylContact C-O 3.37Å; A32-F143 WeakPolarHBondContact CA-O 3.31Å; A32-F143 HydrophobicContact CB-CB 4.38Å; A32-F143 HydrophobicContact CB-CD1 4.4Å |
| 33 | L | 98.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.1 | 168.1 | 176.6 | 55.6 | 0 | 0 | 0 | 109.4 | V35 V68 M70 F114 I117 L118 I134 F143 V144 N145 | L33-V35 HydrophobicContact CD1-CG2 4Å; L33-V35 HydrophobicContact CD2-CG2 4.43Å; L33-V35 HydrophobicContact CG-CG2 3.83Å; L33-V68 WeakPolarHBondContact CA-O 3.48Å; L33-V68 HydrophobicContact CD1-CB 3.93Å; L33-V68 HydrophobicContact CD1-CG1 3.85Å; L33-M70 HydrophobicContact CD1-CG 3.96Å; L33-M70 HydrophobicContact CD1-SD 4Å; L33-F114 HydrophobicContact CD2-CD2 3.57Å; L33-F114 HydrophobicContact CD2-CE2 3.58Å; L33-F114 HydrophobicContact CD2-CG 4.42Å; L33-F114 HydrophobicContact CD2-CZ 4.44Å; L33-F114 HydrophobicContact CG-CD2 4.38Å; L33-F114 HydrophobicContact CG-CE2 4.34Å; L33-I117 HydrophobicContact CD1-CG2 3.93Å; L33-I117 HydrophobicContact CD2-CG2 4.04Å; L33-L118 HydrophobicContact CB-CD2 4.45Å; L33-L118 HydrophobicContact CD2-CD1 4.32Å; L33-L118 HydrophobicContact CD2-CD2 3.62Å; L33-L118 HydrophobicContact CD2-CG 3.59Å; L33-I134 HydrophobicContact CB-CD1 4.3Å; L33-I134 HydrophobicContact CB-CG1 4.48Å; L33-F143 PolarHBondContact N-O 2.98Å; L33-V144 HydrophobicContact CB-CG2 4.48Å; L33-V144 WeakPolarHBondContact O-CA 3.22Å; L33-N145 PolarHBondContact O-N 3.29Å |
| 34 | L | 99 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.8 | -178 | -51.8 | -178.9 | 0 | 0 | 0 | 109.9 | A32 I50 A53 L57 I67 V68 V69 M70 F143 N145 | A32-L34 HydrophobicContact CB-CD2 4.49Å; L34-I50 HydrophobicContact CB-CD1 4.17Å; L34-I50 HydrophobicContact CB-CG2 3.84Å; L34-A53 HydrophobicContact CD1-CB 4.27Å; L34-A53 HydrophobicContact CD2-CB 4.24Å; L34-L57 HydrophobicContact CD1-CD1 4.09Å; L34-L57 HydrophobicContact CD2-CD1 4.06Å; L34-L57 HydrophobicContact CG-CD1 4.39Å; L34-I67 HydrophobicContact CD1-CG2 3.91Å; L34-I67 HydrophobicContact CG-CG2 4.23Å; L34-V68 PolarHBondContact N-O 2.92Å; L34-V69 HydrophobicContact CB-CG2 4.47Å; L34-V69 HydrophobicContact CD1-CG2 4.34Å; L34-M70 PolarHBondContact O-N 3.41Å; L34-F143 HydrophobicContact CD2-CD1 4.2Å; L34-F143 HydrophobicContact CD2-CE1 4.03Å; L34-N145 CarbonylContact C-O 3.6Å; L34-N145 WeakPolarHBondContact CA-O 3.39Å; L34-N145 HydrophobicContact CD2-CB 3.8Å |
| 35 | V | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 117.5 | -168 | -172 | 0 | 0 | 0 | 0 | 111.8 | L33 I50 M70 F114 N145 F146 V147 F157 | L33-V35 HydrophobicContact CD1-CG2 4Å; L33-V35 HydrophobicContact CD2-CG2 4.43Å; L33-V35 HydrophobicContact CG-CG2 3.83Å; V35-I50 WeakPolarHBondContact O-CD1 3.42Å; V35-M70 CarbonylContact C-O 3.6Å; V35-M70 VanDerWaalsContact CA-O 3.31Å; V35-M70 WeakPolarHBondContact CA-O 3.48Å; V35-M70 HydrophobicContact CB-CB 4.46Å; V35-M70 HydrophobicContact CG1-CB 4.18Å; V35-M70 HydrophobicContact CG2-CB 4.25Å; V35-M70 HydrophobicContact CG2-CG 4.38Å; V35-M70 HydrophobicContact CG2-SD 4.15Å; V35-F114 HydrophobicContact CG2-CD2 3.78Å; V35-F114 HydrophobicContact CG2-CE2 3.97Å; V35-N145 PolarHBondContact N-O 3.2Å; V35-F146 HydrophobicContact CB-CD2 3.9Å; V35-F146 HydrophobicContact CG1-CD2 3.74Å; V35-F146 HydrophobicContact CG1-CE2 3.92Å; V35-V147 PolarHBondContact O-N 3.06Å; V35-F157 HydrophobicContact CG1-CE1 4.08Å; V35-F157 HydrophobicContact CG1-CZ 4.13Å |
| 36 | A | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S38 H46 Q47 I50 M70 M71 V147 | A36-S38 VanDerWaalsContact C-N 3.27Å; A36-S38 PolarHBondContact O-N 3.39Å; A36-H46 HydrophobicContact CB-CB 4.47Å; A36-Q47 HydrophobicContact CB-CB 4.43Å; A36-Q47 HydrophobicContact CB-CG 3.71Å; A36-I50 HydrophobicContact CB-CB 4.28Å; A36-I50 HydrophobicContact CB-CG1 3.81Å; A36-M70 PolarHBondContact N-O 2.98Å; A36-M71 HydrophobicContact CB-CB 3.91Å; A36-V147 WeakPolarHBondContact CA-O 3.46Å |
| 37 | G | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -78.3 | -0.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V147 D148 S156 F157 P158 | G37-V147 PolarHBondContact N-O 3.43Å; G37-D148 WeakPolarHBondContact CA-OD2 3.27Å; G37-S156 WeakPolarHBondContact CA-O 3.37Å; G37-F157 CarbonylContact O-C 3.35Å; G37-F157 WeakPolarHBondContact O-CA 3.4Å; G37-P158 WeakPolarHBondContact O-CA 3.2Å; G37-P158 WeakPolarHBondContact O-CD 3.32Å; G37-P158 WeakPolarHBondContact O-CG 3.41Å | ||
| 38 | S | 98.2 | Very high | 98.2 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | trans | -137.5 | 179.3 | -179.6 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | A36 N43 H46 Q47 D148 | A36-S38 VanDerWaalsContact C-N 3.27Å; A36-S38 PolarHBondContact O-N 3.39Å; S38-N43 WeakPolarHBondContact OG-CB 3.49Å; S38-H46 PolarHBondContact OG-ND1 3.38Å; S38-Q47 PolarHBondContact O-NE2 2.81Å; S38-D148 VanDerWaalsContact CB-CG 3.46Å; S38-D148 WeakPolarHBondContact CB-OD1 3.28Å; S38-D148 WeakPolarHBondContact CB-OD2 3.48Å; S38-D148 PolarHBondContact N-OD2 2.92Å; S38-D148 PolarHBondContact OG-OD1 3.31Å | ||
| 39 | N | 98 | Very high | 98.4 | Very high | 19 Ų | 19 | 16.1 Ų | 16.1 | 10% | 0.102 | 7% | 0.072 | C | C | . | . | trans | -138.7 | -177 | -175.1 | 62.7 | -4.5 | 0 | 0 | 0 | 110.3 | N43 Y72 P158 | N39-N43 WeakPolarHBondContact O-CB 3.48Å; N39-N43 PolarHBondContact O-ND2 3.47Å; N39-Y72 HydrophobicContact CB-CD1 3.53Å; N39-Y72 HydrophobicContact CB-CD2 3.89Å; N39-Y72 HydrophobicContact CB-CE1 4.06Å; N39-Y72 HydrophobicContact CB-CE2 4.36Å; N39-Y72 HydrophobicContact CB-CG 3.43Å; N39-Y72 VanDerWaalsContact CB-CG 3.43Å; N39-P158 HydrophobicContact CB-CB 4.43Å | ||
| 40 | E | 97.3 | Very high | 98.5 | Very high | 94 Ų | 94 | 10.5 Ų | 10.5 | 44% | 0.439 | 5% | 0.047 | S | C | . | . | S | Bend | trans | 70.4 | 155.6 | -179 | -54.8 | -169.7 | -175.2 | 0 | 0 | 114.9 | Y42 N43 D74 | E40-Y42 VanDerWaalsContact C-N 3.26Å; E40-Y42 HydrophobicContact CB-CD1 3.84Å; E40-Y42 HydrophobicContact CB-CE1 3.53Å; E40-Y42 HydrophobicContact CG-CE1 4.28Å; E40-Y42 PolarHBondContact O-N 2.85Å; E40-Y42 VanDerWaalsContact O-N 3.15Å; E40-Y42 VanDerWaalsContact OE2-CE1 3.29Å; E40-Y42 WeakPolarHBondContact OE2-CE1 3.43Å; E40-N43 CarbonylContact O-C 2.94Å; E40-N43 PolarHBondContact O-N 3.26Å; E40-D74 VanDerWaalsContact CA-OD2 3.31Å; E40-D74 WeakPolarHBondContact CA-OD2 3.15Å; E40-D74 PolarHBondContact N-OD2 3.27Å |
| 41 | W | 97.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 9.5 Ų | 9.5 | 11% | 0.114 | 4% | 0.042 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.5 | -169.2 | -170.4 | -109.7 | 0 | 0 | 0 | 114.5 | N43 Y44 I75 N78 E80 N81 L227 T229 | W41-N43 PolarHBondContact O-N 3.38Å; W41-Y44 HydrophobicContact CE3-CD2 4.04Å; W41-Y44 AromaticContact CH2-CD2 3.66Å; W41-Y44 HydrophobicContact CH2-CD2 3.66Å; W41-Y44 AromaticContact CH2-CE2 3.7Å; W41-Y44 HydrophobicContact CH2-CE2 3.7Å; W41-Y44 HydrophobicContact CZ2-CD2 4.2Å; W41-Y44 HydrophobicContact CZ2-CE2 4.45Å; W41-Y44 AromaticContact CZ3-CD2 3.58Å; W41-Y44 HydrophobicContact CZ3-CD2 3.58Å; W41-Y44 AromaticContact CZ3-CE2 3.87Å; W41-Y44 HydrophobicContact CZ3-CE2 3.87Å; W41-Y44 WeakPolarHBondContact O-CB 3.39Å; W41-Y44 PolarHBondContact O-N 3.35Å; W41-I75 HydrophobicContact CE3-CD1 4.38Å; W41-I75 HydrophobicContact CE3-CG2 4.41Å; W41-I75 HydrophobicContact CZ3-CG2 3.93Å; W41-N78 HydrophobicContact CE3-CB 3.6Å; W41-N78 HydrophobicContact CZ3-CB 3.77Å; W41-E80 HydrophobicContact CB-CG 4.49Å; W41-E80 HydrophobicContact CD2-CB 3.62Å; W41-E80 HydrophobicContact CD2-CG 4.35Å; W41-E80 HydrophobicContact CE3-CB 4.22Å; W41-E80 HydrophobicContact CG-CB 3.83Å; W41-E80 HydrophobicContact CG-CG 4.04Å; W41-E80 HydrophobicContact CZ2-CB 4.01Å; W41-N81 HydrophobicContact CH2-CB 3.43Å; W41-N81 VanDerWaalsContact CH2-CB 3.43Å; W41-N81 HydrophobicContact CZ2-CB 4.47Å; W41-N81 HydrophobicContact CZ3-CB 3.57Å; W41-L227 HydrophobicContact CH2-CD2 4.1Å; W41-L227 HydrophobicContact CZ2-CB 3.93Å; W41-L227 HydrophobicContact CZ2-CD2 3.92Å; W41-L227 HydrophobicContact CZ2-CG 4.4Å; W41-L227 PolarHBondContact NE1-O 3.07Å; W41-T229 HydrophobicContact CZ2-CG2 4.26Å; W41-T229 PolarHBondContact O-OG1 2.75Å |
| 42 | Y | 96.1 | Very high | 98.5 | Very high | 31 Ų | 31 | 8.9 Ų | 8.9 | 12% | 0.122 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -71.9 | -17.9 | 177.9 | 68.7 | -90.7 | 0 | 0 | 0 | 112.7 | E40 R45 P315 L441 | E40-Y42 VanDerWaalsContact C-N 3.26Å; E40-Y42 HydrophobicContact CB-CD1 3.84Å; E40-Y42 HydrophobicContact CB-CE1 3.53Å; E40-Y42 HydrophobicContact CG-CE1 4.28Å; E40-Y42 PolarHBondContact O-N 2.85Å; E40-Y42 VanDerWaalsContact O-N 3.15Å; E40-Y42 VanDerWaalsContact OE2-CE1 3.29Å; E40-Y42 WeakPolarHBondContact OE2-CE1 3.43Å; Y42-R45 PolarHBondContact O-NH1 3.44Å; Y42-P315 HydrophobicContact CD2-CG 3.94Å; Y42-P315 HydrophobicContact CE2-CG 4.27Å; Y42-L441 HydrophobicContact CE1-CD1 4.37Å; Y42-L441 HydrophobicContact CE1-CD2 4.09Å; Y42-L441 WeakPolarHBondContact OH-CD2 3.47Å |
| 43 | N | 98.2 | Very high | 98.5 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -103.6 | 23.3 | 172.4 | -64.9 | -40.9 | 0 | 0 | 0 | 113 | S38 N39 E40 W41 R45 H46 H149 | S38-N43 WeakPolarHBondContact OG-CB 3.49Å; N39-N43 WeakPolarHBondContact O-CB 3.48Å; N39-N43 PolarHBondContact O-ND2 3.47Å; E40-N43 CarbonylContact O-C 2.94Å; E40-N43 PolarHBondContact O-N 3.26Å; W41-N43 PolarHBondContact O-N 3.38Å; N43-R45 PolarHBondContact O-N 3.25Å; N43-R45 VanDerWaalsContact O-N 3.08Å; N43-R45 PolarHBondContact OD1-NH1 2.94Å; N43-R45 VanDerWaalsContact OD1-NH1 3.09Å; N43-R45 PolarHBondContact OD1-NH2 2.94Å; N43-H46 PolarHBondContact O-N 2.96Å; N43-H46 VanDerWaalsContact O-N 3.16Å; N43-H149 PolarHBondContact OD1-NE2 2.97Å |
| 44 | Y | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 9 Ų | 9 | 0% | 0.004 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -40.3 | -48.6 | 173.2 | -179.5 | -72.7 | 0 | 0 | 0 | 112.6 | W41 H46 Q47 A48 I75 I87 I88 L227 T229 L231 | W41-Y44 HydrophobicContact CE3-CD2 4.04Å; W41-Y44 AromaticContact CH2-CD2 3.66Å; W41-Y44 HydrophobicContact CH2-CD2 3.66Å; W41-Y44 AromaticContact CH2-CE2 3.7Å; W41-Y44 HydrophobicContact CH2-CE2 3.7Å; W41-Y44 HydrophobicContact CZ2-CD2 4.2Å; W41-Y44 HydrophobicContact CZ2-CE2 4.45Å; W41-Y44 AromaticContact CZ3-CD2 3.58Å; W41-Y44 HydrophobicContact CZ3-CD2 3.58Å; W41-Y44 AromaticContact CZ3-CE2 3.87Å; W41-Y44 HydrophobicContact CZ3-CE2 3.87Å; W41-Y44 WeakPolarHBondContact O-CB 3.39Å; W41-Y44 PolarHBondContact O-N 3.35Å; Y44-H46 VanDerWaalsContact C-N 3.33Å; Y44-H46 PolarHBondContact O-N 3.23Å; Y44-Q47 PolarHBondContact O-N 3.38Å; Y44-A48 HydrophobicContact CD1-CB 3.91Å; Y44-A48 HydrophobicContact CE1-CB 3.68Å; Y44-A48 PolarHBondContact O-N 3.39Å; Y44-I75 HydrophobicContact CD2-CG2 3.22Å; Y44-I75 HydrophobicContact CE2-CG2 3.38Å; Y44-I75 HydrophobicContact CG-CG2 3.93Å; Y44-I87 HydrophobicContact CE1-CG2 3.75Å; Y44-I87 HydrophobicContact CE2-CG2 4.43Å; Y44-I87 VanDerWaalsContact OH-CA 3.3Å; Y44-I87 WeakPolarHBondContact OH-CA 3.32Å; Y44-I87 WeakPolarHBondContact OH-CG2 3.41Å; Y44-I88 VanDerWaalsContact CE1-O 3.24Å; Y44-I88 WeakPolarHBondContact CE1-O 3.18Å; Y44-I88 PolarHBondContact OH-N 3.13Å; Y44-I88 PolarHBondContact OH-O 3.34Å; Y44-L227 HydrophobicContact CE2-CD1 4.13Å; Y44-T229 HydrophobicContact CD1-CG2 4.35Å; Y44-T229 HydrophobicContact CD2-CG2 3.89Å; Y44-T229 HydrophobicContact CG-CG2 3.7Å; Y44-L231 HydrophobicContact CD1-CD2 4.15Å; Y44-L231 HydrophobicContact CE1-CD2 3.69Å |
| 45 | R | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -47.1 | -44.3 | -178.6 | 57.5 | -175.2 | -160.6 | -68.9 | -5.2 | 115.2 | Y42 N43 Q47 A48 D49 H149 A220 Y230 D233 S311 | Y42-R45 PolarHBondContact O-NH1 3.44Å; N43-R45 PolarHBondContact O-N 3.25Å; N43-R45 VanDerWaalsContact O-N 3.08Å; N43-R45 PolarHBondContact OD1-NH1 2.94Å; N43-R45 VanDerWaalsContact OD1-NH1 3.09Å; N43-R45 PolarHBondContact OD1-NH2 2.94Å; R45-Q47 PolarHBondContact O-N 3.48Å; R45-A48 WeakPolarHBondContact O-CB 3.46Å; R45-A48 PolarHBondContact O-N 2.89Å; R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 3.23Å; R45-H149 PolarHBondContact NH2-CE1 2.92Å; R45-H149 VanDerWaalsContact NH2-CE1 3.3Å; R45-A220 VanDerWaalsContact CD-CB 3.42Å; R45-Y230 WeakPolarHBondContact CB-O 3.35Å; R45-Y230 PolarHBondContact N-O 2.98Å; R45-D233 VanDerWaalsContact CB-OD2 3.3Å; R45-D233 WeakPolarHBondContact CB-OD2 3.5Å; R45-D233 WeakPolarHBondContact CD-OD1 3.4Å; R45-D233 WeakPolarHBondContact CD-OD2 3.27Å; R45-D233 WeakPolarHBondContact CG-OD2 3.36Å; R45-D233 IonicContact CZ-OD1 2.76Å; R45-D233 IonicContact NE-OD1 3.54Å; R45-D233 PolarHBondContact NE-OD1 3.38Å; R45-D233 IonicContact NE-OD2 3.88Å; R45-D233 PolarHBondContact NE-OD2 3.39Å; R45-S311 PolarHBondContact NH2-OG 2.91Å |
| 46 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -70.8 | -38 | -174 | -53 | 140.5 | 0 | 0 | 0 | 112.2 | A36 S38 N43 Y44 I50 V147 D148 H149 D233 | A36-H46 HydrophobicContact CB-CB 4.47Å; S38-H46 PolarHBondContact OG-ND1 3.38Å; N43-H46 PolarHBondContact O-N 2.96Å; N43-H46 VanDerWaalsContact O-N 3.16Å; Y44-H46 VanDerWaalsContact C-N 3.33Å; Y44-H46 PolarHBondContact O-N 3.23Å; H46-I50 WeakPolarHBondContact O-CG1 3.45Å; H46-I50 PolarHBondContact O-N 2.92Å; H46-V147 HydrophobicContact CB-CG1 3.85Å; H46-D148 IonicContact CE1-OD1 3.95Å; H46-D148 PolarHBondContact CE1-OD1 3.1Å; H46-D148 IonicContact CG-OD1 3.97Å; H46-D148 IonicContact ND1-OD1 3.27Å; H46-D148 PolarHBondContact ND1-OD1 3.27Å; H46-D148 IonicContact NE2-OD1 2.65Å; H46-H149 AromaticContact CE1-CD2 3.8Å; H46-H149 AromaticContact CE1-NE2 3.68Å; H46-D233 IonicContact CD2-OD1 2.7Å; H46-D233 IonicContact CD2-OD2 3.28Å; H46-D233 PolarHBondContact CD2-OD2 2.77Å; H46-D233 IonicContact NE2-OD1 2.73Å; H46-D233 IonicContact NE2-OD2 2.96Å |
| 47 | Q | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -74.7 | -31.3 | 174.5 | -66.9 | -176.8 | 56.4 | 0 | 0 | 111.3 | A36 S38 Y44 R45 C51 M71 D74 I75 | A36-Q47 HydrophobicContact CB-CB 4.43Å; A36-Q47 HydrophobicContact CB-CG 3.71Å; S38-Q47 PolarHBondContact O-NE2 2.81Å; Y44-Q47 PolarHBondContact O-N 3.38Å; R45-Q47 PolarHBondContact O-N 3.48Å; Q47-C51 VanDerWaalsContact O-CB 3.31Å; Q47-C51 WeakPolarHBondContact O-CB 3.39Å; Q47-C51 PolarHBondContact O-N 2.95Å; Q47-C51 PolarHBondContact O-SG 3.41Å; Q47-M71 HydrophobicContact CG-CB 4.22Å; Q47-D74 PolarHBondContact NE2-OD1 3.15Å; Q47-I75 HydrophobicContact CB-CG1 4.08Å; Q47-I75 HydrophobicContact CG-CG1 4.29Å |
| 48 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y44 R45 C51 H52 I87 N89 L231 | Y44-A48 HydrophobicContact CD1-CB 3.91Å; Y44-A48 HydrophobicContact CE1-CB 3.68Å; Y44-A48 PolarHBondContact O-N 3.39Å; R45-A48 WeakPolarHBondContact O-CB 3.46Å; R45-A48 PolarHBondContact O-N 2.89Å; A48-C51 PolarHBondContact O-N 3.48Å; A48-H52 WeakPolarHBondContact O-CB 3.47Å; A48-H52 PolarHBondContact O-N 3.43Å; A48-I87 HydrophobicContact CB-CG2 3.49Å; A48-I87 VanDerWaalsContact CB-CG2 3.49Å; A48-N89 HydrophobicContact CB-CB 4.16Å; A48-L231 VanDerWaalsContact CB-O 3.24Å; A48-L231 WeakPolarHBondContact CB-O 3.48Å |
| 49 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 175.9 | -73.3 | -12 | 0 | 0 | 0 | 111 | R45 C51 H52 A53 N89 V147 G232 D233 S236 M240 | R45-D49 VanDerWaalsContact O-CG 3.27Å; R45-D49 PolarHBondContact O-N 3.23Å; D49-C51 VanDerWaalsContact C-N 3.33Å; D49-C51 PolarHBondContact O-N 3.06Å; D49-H52 CarbonylContact O-C 3.43Å; D49-H52 WeakPolarHBondContact O-CB 3.47Å; D49-H52 PolarHBondContact O-N 3.46Å; D49-A53 PolarHBondContact O-N 2.88Å; D49-N89 PolarHBondContact N-ND2 3.42Å; D49-N89 PolarHBondContact OD1-ND2 3.39Å; D49-V147 HydrophobicContact CB-CB 4.48Å; D49-V147 HydrophobicContact CB-CG1 3.92Å; D49-V147 HydrophobicContact CB-CG2 4.16Å; D49-V147 WeakPolarHBondContact OD2-CG1 3.4Å; D49-G232 WeakPolarHBondContact OD1-CA 3.39Å; D49-D233 PolarHBondContact OD1-N 3.18Å; D49-D233 PolarHBondContact OD2-N 3.05Å; D49-S236 WeakPolarHBondContact OD2-CB 3.4Å; D49-S236 PolarHBondContact OD2-OG 3.42Å; D49-M240 HydrophobicContact CB-CE 3.87Å |
| 50 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.5 | -69.5 | -57.1 | 0 | 0 | 0 | 112.6 | L34 V35 A36 H46 H52 A53 Y54 V69 N145 V147 | L34-I50 HydrophobicContact CB-CD1 4.17Å; L34-I50 HydrophobicContact CB-CG2 3.84Å; V35-I50 WeakPolarHBondContact O-CD1 3.42Å; A36-I50 HydrophobicContact CB-CB 4.28Å; A36-I50 HydrophobicContact CB-CG1 3.81Å; H46-I50 WeakPolarHBondContact O-CG1 3.45Å; H46-I50 PolarHBondContact O-N 2.92Å; I50-H52 VanDerWaalsContact C-N 3.3Å; I50-H52 PolarHBondContact O-N 2.96Å; I50-A53 PolarHBondContact O-N 3.46Å; I50-Y54 PolarHBondContact O-N 3.25Å; I50-V69 HydrophobicContact CG2-CG1 3.93Å; I50-N145 WeakPolarHBondContact CD1-OD1 3.28Å; I50-V147 HydrophobicContact CD1-CB 4.14Å; I50-V147 HydrophobicContact CD1-CG2 3.66Å; I50-V147 HydrophobicContact CG1-CB 4.18Å; I50-V147 HydrophobicContact CG1-CG2 4.15Å |
| 51 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 172.1 | -73.5 | 0 | 0 | 0 | 0 | 111.1 | Q47 A48 D49 Y54 Q55 V96 V100 | Q47-C51 VanDerWaalsContact O-CB 3.31Å; Q47-C51 WeakPolarHBondContact O-CB 3.39Å; Q47-C51 PolarHBondContact O-N 2.95Å; Q47-C51 PolarHBondContact O-SG 3.41Å; A48-C51 PolarHBondContact O-N 3.48Å; D49-C51 VanDerWaalsContact C-N 3.33Å; D49-C51 PolarHBondContact O-N 3.06Å; C51-Y54 WeakPolarHBondContact O-CB 3.39Å; C51-Y54 PolarHBondContact O-N 3.17Å; C51-Q55 WeakPolarHBondContact O-CG 3.33Å; C51-Q55 PolarHBondContact O-N 2.91Å; C51-Q55 VanDerWaalsContact O-N 3.15Å; C51-V96 HydrophobicContact CB-CB 4.07Å; C51-V96 HydrophobicContact CB-CG2 3.62Å; C51-V96 WeakPolarHBondContact CB-O 3.39Å; C51-V100 HydrophobicContact CB-CG2 4.05Å |
| 52 | H | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 178.4 | -172.3 | -175.3 | 0 | 0 | 0 | 112.2 | A48 D49 I50 Y54 Q55 I56 N89 V96 M240 D244 | A48-H52 WeakPolarHBondContact O-CB 3.47Å; A48-H52 PolarHBondContact O-N 3.43Å; D49-H52 CarbonylContact O-C 3.43Å; D49-H52 WeakPolarHBondContact O-CB 3.47Å; D49-H52 PolarHBondContact O-N 3.46Å; I50-H52 VanDerWaalsContact C-N 3.3Å; I50-H52 PolarHBondContact O-N 2.96Å; H52-Y54 VanDerWaalsContact C-N 3.29Å; H52-Y54 PolarHBondContact O-N 3.09Å; H52-Q55 WeakPolarHBondContact O-CA 3.5Å; H52-Q55 WeakPolarHBondContact O-CB 3.36Å; H52-Q55 PolarHBondContact O-N 3.14Å; H52-I56 PolarHBondContact O-N 2.85Å; H52-N89 HydrophobicContact CB-CB 3.96Å; H52-N89 PolarHBondContact ND1-OD1 3.36Å; H52-V96 HydrophobicContact CB-CB 4.31Å; H52-V96 HydrophobicContact CB-CG1 4.03Å; H52-M240 HydrophobicContact CB-CE 4.27Å; H52-M240 HydrophobicContact CB-SD 3.52Å; H52-M240 VanDerWaalsContact CB-SD 3.52Å; H52-M240 VanDerWaalsContact CG-SD 3.58Å; H52-D244 IonicContact CE1-OD2 3.98Å; H52-D244 IonicContact NE2-OD2 3.91Å; H52-D244 PolarHBondContact NE2-OD2 3.15Å |
| 53 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -55.7 | -43.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L34 D49 I50 Q55 I56 L57 W239 M240 | L34-A53 HydrophobicContact CD1-CB 4.27Å; L34-A53 HydrophobicContact CD2-CB 4.24Å; D49-A53 PolarHBondContact O-N 2.88Å; I50-A53 PolarHBondContact O-N 3.46Å; A53-Q55 PolarHBondContact O-N 3.22Å; A53-I56 PolarHBondContact O-N 2.83Å; A53-L57 WeakPolarHBondContact O-CG 3.39Å; A53-L57 PolarHBondContact O-N 3.48Å; A53-W239 HydrophobicContact CB-CH2 3.85Å; A53-W239 HydrophobicContact CB-CZ2 3.94Å; A53-M240 HydrophobicContact CB-SD 4.19Å; A53-M240 PolarHBondContact N-SD 3.45Å; A53-M240 VanDerWaalsContact N-SD 3.43Å |
| 54 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.9 | -45.8 | 172.8 | 166.1 | -95.3 | 0 | 0 | 0 | 112 | I50 C51 H52 I56 L57 H58 D64 I67 G99 V100 P101 | I50-Y54 PolarHBondContact O-N 3.25Å; C51-Y54 WeakPolarHBondContact O-CB 3.39Å; C51-Y54 PolarHBondContact O-N 3.17Å; H52-Y54 VanDerWaalsContact C-N 3.29Å; H52-Y54 PolarHBondContact O-N 3.09Å; Y54-I56 VanDerWaalsContact C-N 3.26Å; Y54-I56 PolarHBondContact O-N 3.5Å; Y54-L57 PolarHBondContact O-N 3.3Å; Y54-H58 HydrophobicContact CE1-CB 4.13Å; Y54-H58 HydrophobicContact CE2-CB 4.07Å; Y54-H58 AromaticContact CZ-CG 3.9Å; Y54-H58 AromaticContact CZ-ND1 3.86Å; Y54-H58 VanDerWaalsContact O-CB 3.29Å; Y54-H58 WeakPolarHBondContact O-CB 3.21Å; Y54-H58 PolarHBondContact O-N 3.43Å; Y54-H58 PolarHBondContact OH-ND1 3.03Å; Y54-D64 VanDerWaalsContact CE2-OD1 3.28Å; Y54-D64 WeakPolarHBondContact CE2-OD1 3.3Å; Y54-D64 PolarHBondContact OH-OD1 3.2Å; Y54-D64 PolarHBondContact OH-OD2 3.38Å; Y54-I67 HydrophobicContact CD2-CD1 4.07Å; Y54-I67 HydrophobicContact CD2-CG2 4.11Å; Y54-I67 HydrophobicContact CE2-CD1 4.06Å; Y54-G99 PolarHBondContact OH-O 3.09Å; Y54-V100 HydrophobicContact CD1-CB 4.02Å; Y54-V100 HydrophobicContact CD1-CG1 4.46Å; Y54-V100 HydrophobicContact CD1-CG2 3.42Å; Y54-V100 VanDerWaalsContact CD1-CG2 3.42Å; Y54-V100 HydrophobicContact CE1-CB 4.4Å; Y54-V100 HydrophobicContact CE1-CG2 4.06Å; Y54-V100 HydrophobicContact CG-CB 4.36Å; Y54-V100 HydrophobicContact CG-CG1 4.31Å; Y54-V100 HydrophobicContact CG-CG2 4Å; Y54-P101 VanDerWaalsContact CD2-CD 3.49Å; Y54-P101 HydrophobicContact CD2-CG 4.32Å; Y54-P101 HydrophobicContact CE2-CG 3.84Å |
| 55 | Q | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 21.8 Ų | 21.8 | 12% | 0.121 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 179.5 | -62.3 | -56.6 | -37 | 0 | 0 | 111.9 | C51 H52 A53 K59 V96 K98 | C51-Q55 WeakPolarHBondContact O-CG 3.33Å; C51-Q55 PolarHBondContact O-N 2.91Å; C51-Q55 VanDerWaalsContact O-N 3.15Å; H52-Q55 WeakPolarHBondContact O-CA 3.5Å; H52-Q55 WeakPolarHBondContact O-CB 3.36Å; H52-Q55 PolarHBondContact O-N 3.14Å; A53-Q55 PolarHBondContact O-N 3.22Å; Q55-K59 VanDerWaalsContact O-CB 3.24Å; Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 WeakPolarHBondContact O-CD 3.26Å; Q55-K59 WeakPolarHBondContact O-CG 3.3Å; Q55-K59 PolarHBondContact O-N 3.48Å; Q55-V96 HydrophobicContact CG-CB 4.04Å; Q55-V96 HydrophobicContact CG-CG1 4.32Å; Q55-V96 PolarHBondContact NE2-O 3.03Å; Q55-K98 PolarHBondContact NE2-O 2.99Å |
| 56 | I | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -53.8 | 177.2 | -68.6 | 165.3 | 0 | 0 | 0 | 109.9 | H52 A53 Y54 H58 K59 H60 W239 M240 F286 | H52-I56 PolarHBondContact O-N 2.85Å; A53-I56 PolarHBondContact O-N 2.83Å; Y54-I56 VanDerWaalsContact C-N 3.26Å; Y54-I56 PolarHBondContact O-N 3.5Å; I56-H58 PolarHBondContact O-N 2.89Å; I56-K59 PolarHBondContact O-N 2.94Å; I56-H60 WeakPolarHBondContact O-CB 3.24Å; I56-H60 PolarHBondContact O-N 3.33Å; I56-H60 VanDerWaalsContact O-N 3.1Å; I56-H60 PolarHBondContact O-ND1 3.21Å; I56-W239 HydrophobicContact CD1-CH2 4.31Å; I56-W239 HydrophobicContact CD1-CZ3 4.02Å; I56-M240 HydrophobicContact CD1-CB 3.58Å; I56-M240 HydrophobicContact CD1-CG 3.67Å; I56-M240 WeakPolarHBondContact CD1-O 3.33Å; I56-M240 HydrophobicContact CD1-SD 4.47Å; I56-F286 HydrophobicContact CG2-CD2 4.42Å |
| 57 | L | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | -179 | -60.9 | -179.5 | 0 | 0 | 0 | 112.2 | A32 L34 A53 Y54 H60 G61 V62 I67 F143 F286 | A32-L57 HydrophobicContact CB-CD1 3.37Å; L34-L57 HydrophobicContact CD1-CD1 4.09Å; L34-L57 HydrophobicContact CD2-CD1 4.06Å; L34-L57 HydrophobicContact CG-CD1 4.39Å; A53-L57 WeakPolarHBondContact O-CG 3.39Å; A53-L57 PolarHBondContact O-N 3.48Å; Y54-L57 PolarHBondContact O-N 3.3Å; L57-H60 CarbonylContact O-C 3.49Å; L57-H60 PolarHBondContact O-N 3.16Å; L57-G61 PolarHBondContact O-N 3.33Å; L57-G61 VanDerWaalsContact O-N 3.09Å; L57-V62 HydrophobicContact CB-CB 4.15Å; L57-V62 HydrophobicContact CB-CG2 4.21Å; L57-V62 HydrophobicContact CD2-CG2 4.39Å; L57-V62 PolarHBondContact O-N 3.01Å; L57-I67 HydrophobicContact CB-CD1 3.8Å; L57-I67 HydrophobicContact CD1-CD1 4.32Å; L57-I67 HydrophobicContact CD1-CG1 4.38Å; L57-I67 HydrophobicContact CD1-CG2 4.44Å; L57-F143 HydrophobicContact CD1-CD1 4.14Å; L57-F143 HydrophobicContact CD2-CD1 4.1Å; L57-F143 HydrophobicContact CD2-CE1 4.48Å; L57-F286 HydrophobicContact CD2-CB 4.02Å; L57-F286 HydrophobicContact CD2-CD1 3.64Å; L57-F286 HydrophobicContact CD2-CE1 4.45Å; L57-F286 HydrophobicContact CD2-CG 4.03Å |
| 58 | H | 97.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 23.9 Ų | 23.9 | 37% | 0.366 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63 | -45 | -178.7 | -178.9 | 84.4 | 0 | 0 | 0 | 111.8 | Y54 I56 H60 G61 D64 | Y54-H58 HydrophobicContact CE1-CB 4.13Å; Y54-H58 HydrophobicContact CE2-CB 4.07Å; Y54-H58 AromaticContact CZ-CG 3.9Å; Y54-H58 AromaticContact CZ-ND1 3.86Å; Y54-H58 VanDerWaalsContact O-CB 3.29Å; Y54-H58 WeakPolarHBondContact O-CB 3.21Å; Y54-H58 PolarHBondContact O-N 3.43Å; Y54-H58 PolarHBondContact OH-ND1 3.03Å; I56-H58 PolarHBondContact O-N 2.89Å; H58-H60 VanDerWaalsContact C-N 3.29Å; H58-H60 PolarHBondContact O-N 3.37Å; H58-G61 PolarHBondContact O-N 3.18Å; H58-D64 IonicContact CE1-OD1 3.36Å; H58-D64 IonicContact CE1-OD2 3.23Å; H58-D64 IonicContact CG-OD1 3.85Å; H58-D64 IonicContact ND1-OD1 3.72Å; H58-D64 PolarHBondContact ND1-OD1 3.36Å; H58-D64 IonicContact ND1-OD2 3.55Å |
| 59 | K | 96.3 | Very high | 98.2 | Very high | 78 Ų | 78 | 23.9 Ų | 23.9 | 34% | 0.339 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 177.3 | -74.2 | 171.9 | -166.4 | 163.3 | 0 | 111.9 | Q55 I56 G61 D244 L291 | Q55-K59 VanDerWaalsContact O-CB 3.24Å; Q55-K59 WeakPolarHBondContact O-CB 3.44Å; Q55-K59 WeakPolarHBondContact O-CD 3.26Å; Q55-K59 WeakPolarHBondContact O-CG 3.3Å; Q55-K59 PolarHBondContact O-N 3.48Å; I56-K59 PolarHBondContact O-N 2.94Å; K59-G61 VanDerWaalsContact C-N 3.25Å; K59-G61 PolarHBondContact O-N 2.82Å; K59-D244 IonicContact NZ-OD1 3.47Å; K59-D244 PolarHBondContact NZ-OD1 2.9Å; K59-L291 HydrophobicContact CB-CD2 3.75Å; K59-L291 WeakPolarHBondContact O-CD2 3.05Å |
| 60 | H | 96.8 | Very high | 98.2 | Very high | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.051 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.4 | 179.1 | -68.6 | 100.3 | 0 | 0 | 0 | 114 | I56 L57 H58 L248 F286 G287 N288 K289 | I56-H60 WeakPolarHBondContact O-CB 3.24Å; I56-H60 PolarHBondContact O-N 3.33Å; I56-H60 VanDerWaalsContact O-N 3.1Å; I56-H60 PolarHBondContact O-ND1 3.21Å; L57-H60 CarbonylContact O-C 3.49Å; L57-H60 PolarHBondContact O-N 3.16Å; H58-H60 VanDerWaalsContact C-N 3.29Å; H58-H60 PolarHBondContact O-N 3.37Å; H60-L248 HydrophobicContact CB-CD1 4.32Å; H60-L248 VanDerWaalsContact CD2-CD1 3.48Å; H60-L248 WeakPolarHBondContact CD2-CD1 3.43Å; H60-F286 WeakPolarHBondContact CB-O 3.46Å; H60-G287 CarbonylContact O-C 3.33Å; H60-G287 WeakPolarHBondContact O-CA 3.47Å; H60-N288 PolarHBondContact O-N 2.95Å; H60-K289 VanDerWaalsContact C-CB 3.42Å; H60-K289 PolarHBondContact CD2-O 3.43Å; H60-K289 WeakPolarHBondContact O-CB 3.34Å; H60-K289 PolarHBondContact O-N 2.97Å |
| 61 | G | 96.5 | Very high | 98.2 | Very high | 39 Ų | 39 | 23.9 Ų | 23.9 | 40% | 0.402 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 11.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L57 H58 K59 P63 | L57-G61 PolarHBondContact O-N 3.33Å; L57-G61 VanDerWaalsContact O-N 3.09Å; H58-G61 PolarHBondContact O-N 3.18Å; K59-G61 VanDerWaalsContact C-N 3.25Å; K59-G61 PolarHBondContact O-N 2.82Å; G61-P63 VanDerWaalsContact O-CD 3.22Å; G61-P63 WeakPolarHBondContact O-CD 3.41Å |
| 62 | V | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | trans | -69.2 | 120.3 | 167.6 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | L30 L57 I67 F286 | L30-V62 HydrophobicContact CB-CG1 4.42Å; L30-V62 HydrophobicContact CB-CG2 4.29Å; L30-V62 HydrophobicContact CD1-CG2 4.17Å; L57-V62 HydrophobicContact CB-CB 4.15Å; L57-V62 HydrophobicContact CB-CG2 4.21Å; L57-V62 HydrophobicContact CD2-CG2 4.39Å; L57-V62 PolarHBondContact O-N 3.01Å; V62-I67 HydrophobicContact CB-CD1 4.1Å; V62-I67 HydrophobicContact CB-CG1 4.31Å; V62-I67 HydrophobicContact CG1-CD1 4.02Å; V62-I67 HydrophobicContact CG1-CG1 3.67Å; V62-F286 WeakPolarHBondContact CG2-O 3.42Å | ||
| 63 | P | 97.7 | Very high | 98.2 | Very high | 38 Ų | 38 | 29.3 Ų | 29.3 | 25% | 0.247 | 15% | 0.152 | C | C | . | . | trans | -66.5 | 145.1 | -177.9 | -28.4 | 41.2 | 0 | 0 | 0 | 113.7 | G61 D65 R66 I67 | G61-P63 VanDerWaalsContact O-CD 3.22Å; G61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-D65 WeakPolarHBondContact CB-OD1 3.42Å; P63-D65 PolarHBondContact O-N 3.44Å; P63-R66 VanDerWaalsContact CD-NH2 3.27Å; P63-R66 VanDerWaalsContact CG-NH2 3.29Å; P63-R66 WeakPolarHBondContact O-CA 3.43Å; P63-R66 PolarHBondContact O-N 2.01Å; P63-I67 PolarHBondContact O-N 3.45Å | ||
| 64 | D | 98.1 | Very high | 98.2 | Very high | 62 Ų | 62 | 31 Ų | 31 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -62.4 | -26.5 | -176.8 | -68.5 | -23.4 | 0 | 0 | 0 | 113.7 | Y54 H58 R66 I67 K132 | Y54-D64 VanDerWaalsContact CE2-OD1 3.28Å; Y54-D64 WeakPolarHBondContact CE2-OD1 3.3Å; Y54-D64 PolarHBondContact OH-OD1 3.2Å; Y54-D64 PolarHBondContact OH-OD2 3.38Å; H58-D64 IonicContact CE1-OD1 3.36Å; H58-D64 IonicContact CE1-OD2 3.23Å; H58-D64 IonicContact CG-OD1 3.85Å; H58-D64 IonicContact ND1-OD1 3.72Å; H58-D64 PolarHBondContact ND1-OD1 3.36Å; H58-D64 IonicContact ND1-OD2 3.55Å; D64-R66 PolarHBondContact O-N 2.88Å; D64-I67 PolarHBondContact O-N 3.39Å; D64-I67 VanDerWaalsContact O-O 3.09Å; D64-K132 PolarHBondContact O-NZ 3.06Å |
| 65 | D | 97.7 | Very high | 98.2 | Very high | 111 Ų | 111 | 30.9 Ų | 30.9 | 59% | 0.594 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -71.1 | -13.6 | 174.4 | 67.9 | -36.5 | 0 | 0 | 0 | 112.8 | P63 | P63-D65 WeakPolarHBondContact CB-OD1 3.42Å; P63-D65 PolarHBondContact O-N 3.44Å |
| 66 | R | 98.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 29.6 Ų | 29.6 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -108.6 | 3.4 | 174.8 | -62.9 | -170.3 | -83.1 | 154.6 | -15.2 | 114 | L30 W31 A32 P63 D64 | L30-R66 WeakPolarHBondContact O-CB 3.47Å; L30-R66 WeakPolarHBondContact O-CD 3.35Å; L30-R66 PolarHBondContact O-NH1 3.4Å; W31-R66 CarbonylContact C-O 3.55Å; W31-R66 WeakPolarHBondContact CA-O 3.25Å; W31-R66 HydrophobicContact CD2-CB 4.07Å; W31-R66 HydrophobicContact CD2-CG 4.07Å; W31-R66 HydrophobicContact CE3-CB 3.74Å; W31-R66 HydrophobicContact CE3-CG 3.84Å; W31-R66 HydrophobicContact CH2-CG 3.85Å; W31-R66 HydrophobicContact CZ2-CG 4.11Å; W31-R66 HydrophobicContact CZ3-CB 4.04Å; W31-R66 HydrophobicContact CZ3-CG 3.74Å; A32-R66 PolarHBondContact N-O 3.07Å; P63-R66 VanDerWaalsContact CD-NH2 3.27Å; P63-R66 VanDerWaalsContact CG-NH2 3.29Å; P63-R66 WeakPolarHBondContact O-CA 3.43Å; P63-R66 PolarHBondContact O-N 2.01Å; D64-R66 PolarHBondContact O-N 2.88Å |
| 67 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.1 | 170.6 | -53.8 | 168.9 | 0 | 0 | 0 | 108.5 | A32 L34 Y54 L57 V62 P63 D64 V69 K132 | A32-I67 HydrophobicContact CB-CG1 4.35Å; A32-I67 HydrophobicContact CB-CG2 4.27Å; L34-I67 HydrophobicContact CD1-CG2 3.91Å; L34-I67 HydrophobicContact CG-CG2 4.23Å; Y54-I67 HydrophobicContact CD2-CD1 4.07Å; Y54-I67 HydrophobicContact CD2-CG2 4.11Å; Y54-I67 HydrophobicContact CE2-CD1 4.06Å; L57-I67 HydrophobicContact CB-CD1 3.8Å; L57-I67 HydrophobicContact CD1-CD1 4.32Å; L57-I67 HydrophobicContact CD1-CG1 4.38Å; L57-I67 HydrophobicContact CD1-CG2 4.44Å; V62-I67 HydrophobicContact CB-CD1 4.1Å; V62-I67 HydrophobicContact CB-CG1 4.31Å; V62-I67 HydrophobicContact CG1-CD1 4.02Å; V62-I67 HydrophobicContact CG1-CG1 3.67Å; P63-I67 PolarHBondContact O-N 3.45Å; D64-I67 PolarHBondContact O-N 3.39Å; D64-I67 VanDerWaalsContact O-O 3.09Å; I67-V69 HydrophobicContact CG2-CG2 4.08Å; I67-K132 PolarHBondContact O-NZ 2.99Å |
| 68 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.9 | 173 | -177 | 0 | 0 | 0 | 0 | 108.8 | A32 L33 L34 D103 Y104 I117 K132 I134 | A32-V68 PolarHBondContact O-N 3.25Å; L33-V68 WeakPolarHBondContact CA-O 3.48Å; L33-V68 HydrophobicContact CD1-CB 3.93Å; L33-V68 HydrophobicContact CD1-CG1 3.85Å; L34-V68 PolarHBondContact N-O 2.92Å; V68-D103 WeakPolarHBondContact CA-OD2 3.37Å; V68-D103 HydrophobicContact CG1-CB 4.12Å; V68-Y104 HydrophobicContact CG1-CD2 3.86Å; V68-Y104 HydrophobicContact CG1-CE2 3.67Å; V68-I117 HydrophobicContact CB-CG2 4.29Å; V68-I117 HydrophobicContact CG1-CD1 4.19Å; V68-I117 HydrophobicContact CG1-CG2 3.91Å; V68-I117 HydrophobicContact CG2-CG2 4.21Å; V68-K132 HydrophobicContact CB-CD 4.48Å; V68-K132 HydrophobicContact CG2-CB 4.48Å; V68-K132 HydrophobicContact CG2-CD 3.69Å; V68-K132 HydrophobicContact CG2-CG 3.88Å; V68-I134 HydrophobicContact CB-CD1 4.26Å; V68-I134 HydrophobicContact CG2-CD1 3.66Å; V68-I134 HydrophobicContact CG2-CG1 4.37Å |
| 69 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.4 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | L34 I50 I67 M71 V100 P101 D103 Y104 | L34-V69 HydrophobicContact CB-CG2 4.47Å; L34-V69 HydrophobicContact CD1-CG2 4.34Å; I50-V69 HydrophobicContact CG2-CG1 3.93Å; I67-V69 HydrophobicContact CG2-CG2 4.08Å; V69-M71 HydrophobicContact CG1-CE 4.48Å; V69-M71 HydrophobicContact CG1-CG 4.05Å; V69-M71 HydrophobicContact CG1-SD 4.16Å; V69-V100 HydrophobicContact CG1-CG1 3.99Å; V69-V100 HydrophobicContact CG2-CG1 4.22Å; V69-P101 HydrophobicContact CB-CB 4.43Å; V69-P101 WeakPolarHBondContact CB-O 3.33Å; V69-P101 HydrophobicContact CG2-CB 4.16Å; V69-P101 HydrophobicContact CG2-CG 4.31Å; V69-D103 PolarHBondContact N-OD2 3.17Å; V69-D103 WeakPolarHBondContact O-CB 3.46Å; V69-D103 PolarHBondContact O-N 2.97Å; V69-Y104 PolarHBondContact O-N 3Å |
| 70 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 108.5 | 171.1 | -53.6 | -175 | 68.5 | 0 | 0 | 109.6 | L33 L34 V35 A36 Y104 V109 N113 F114 I117 F157 | L33-M70 HydrophobicContact CD1-CG 3.96Å; L33-M70 HydrophobicContact CD1-SD 4Å; L34-M70 PolarHBondContact O-N 3.41Å; V35-M70 CarbonylContact C-O 3.6Å; V35-M70 VanDerWaalsContact CA-O 3.31Å; V35-M70 WeakPolarHBondContact CA-O 3.48Å; V35-M70 HydrophobicContact CB-CB 4.46Å; V35-M70 HydrophobicContact CG1-CB 4.18Å; V35-M70 HydrophobicContact CG2-CB 4.25Å; V35-M70 HydrophobicContact CG2-CG 4.38Å; V35-M70 HydrophobicContact CG2-SD 4.15Å; A36-M70 PolarHBondContact N-O 2.98Å; M70-Y104 WeakPolarHBondContact CA-O 3.26Å; M70-Y104 HydrophobicContact CG-CD2 4Å; M70-Y104 HydrophobicContact CG-CG 4.34Å; M70-V109 HydrophobicContact CB-CG1 4.39Å; M70-N113 HydrophobicContact CE-CB 3.98Å; M70-F114 HydrophobicContact CE-CB 4.23Å; M70-F114 HydrophobicContact SD-CB 3.99Å; M70-F114 HydrophobicContact SD-CD2 4.36Å; M70-I117 HydrophobicContact CE-CD1 4.07Å; M70-I117 HydrophobicContact CG-CD1 4.09Å; M70-I117 HydrophobicContact SD-CD1 3.54Å; M70-I117 VanDerWaalsContact SD-CD1 3.54Å; M70-F157 HydrophobicContact CE-CE1 4.36Å |
| 71 | M | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -152.2 | 146.3 | 175 | 64.7 | 179.1 | -179.1 | 0 | 0 | 110.3 | A36 Q47 V69 D73 Y97 V100 K102 Y104 T105 | A36-M71 HydrophobicContact CB-CB 3.91Å; Q47-M71 HydrophobicContact CG-CB 4.22Å; V69-M71 HydrophobicContact CG1-CE 4.48Å; V69-M71 HydrophobicContact CG1-CG 4.05Å; V69-M71 HydrophobicContact CG1-SD 4.16Å; M71-D73 PolarHBondContact O-N 3.28Å; M71-D73 VanDerWaalsContact O-N 3.13Å; M71-Y97 HydrophobicContact CE-CD2 4.39Å; M71-Y97 HydrophobicContact CE-CE2 3.88Å; M71-V100 HydrophobicContact CE-CB 4.38Å; M71-V100 HydrophobicContact CE-CG1 3.66Å; M71-V100 HydrophobicContact SD-CG1 4.31Å; M71-K102 HydrophobicContact CE-CD 3.43Å; M71-K102 VanDerWaalsContact CE-CD 3.43Å; M71-Y104 PolarHBondContact N-O 3.41Å; M71-T105 WeakPolarHBondContact O-CA 3.34Å | ||
| 72 | Y | 98.8 | Very high | 98.3 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 27% | 0.271 | 22% | 0.219 | S | C | . | . | trans | -63 | -27.2 | -171 | -160 | -92.2 | 0 | 0 | 0 | 113.5 | N39 D74 G106 P158 | N39-Y72 HydrophobicContact CB-CD1 3.53Å; N39-Y72 HydrophobicContact CB-CD2 3.89Å; N39-Y72 HydrophobicContact CB-CE1 4.06Å; N39-Y72 HydrophobicContact CB-CE2 4.36Å; N39-Y72 HydrophobicContact CB-CG 3.43Å; N39-Y72 VanDerWaalsContact CB-CG 3.43Å; Y72-D74 HydrophobicContact CD1-CB 3.79Å; Y72-D74 HydrophobicContact CE1-CB 4.28Å; Y72-G106 WeakPolarHBondContact CD2-O 3.15Å; Y72-G106 WeakPolarHBondContact CE2-O 3.39Å; Y72-G106 PolarHBondContact O-N 3.29Å; Y72-P158 HydrophobicContact CD2-CB 3.55Å; Y72-P158 HydrophobicContact CD2-CG 3.78Å; Y72-P158 HydrophobicContact CE2-CB 3.9Å | ||
| 73 | D | 98.8 | Very high | 98.2 | Very high | 51 Ų | 51 | 50.9 Ų | 50.9 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | trans | 68.9 | 36.5 | 173.8 | -158.7 | 35.1 | 0 | 0 | 0 | 115.1 | M71 Y97 K102 T105 | M71-D73 PolarHBondContact O-N 3.28Å; M71-D73 VanDerWaalsContact O-N 3.13Å; D73-Y97 VanDerWaalsContact OD1-CE2 3.31Å; D73-Y97 WeakPolarHBondContact OD1-CE2 3.08Å; D73-Y97 PolarHBondContact OD1-OH 3.04Å; D73-Y97 PolarHBondContact OD2-OH 2.89Å; D73-K102 HydrophobicContact CB-CD 4.42Å; D73-K102 VanDerWaalsContact CG-CE 3.46Å; D73-K102 WeakPolarHBondContact OD1-CE 3.25Å; D73-K102 WeakPolarHBondContact OD2-CD 3.48Å; D73-K102 VanDerWaalsContact OD2-CE 3.31Å; D73-K102 WeakPolarHBondContact OD2-CE 3.19Å; D73-T105 HydrophobicContact CB-CG2 3.71Å | ||
| 74 | D | 98.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | trans | -109.7 | 14 | -178.8 | 67.6 | -37.1 | 0 | 0 | 0 | 114.3 | E40 Q47 Y72 N78 | E40-D74 VanDerWaalsContact CA-OD2 3.31Å; E40-D74 WeakPolarHBondContact CA-OD2 3.15Å; E40-D74 PolarHBondContact N-OD2 3.27Å; Q47-D74 PolarHBondContact NE2-OD1 3.15Å; Y72-D74 HydrophobicContact CD1-CB 3.79Å; Y72-D74 HydrophobicContact CE1-CB 4.28Å; D74-N78 VanDerWaalsContact O-CB 3.23Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-ND2 3.3Å | ||
| 75 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -101.1 | -50.9 | -175.3 | -57.3 | -56.3 | 0 | 0 | 0 | 112.8 | W41 Y44 Q47 Y77 N78 N81 I87 | W41-I75 HydrophobicContact CE3-CD1 4.38Å; W41-I75 HydrophobicContact CE3-CG2 4.41Å; W41-I75 HydrophobicContact CZ3-CG2 3.93Å; Y44-I75 HydrophobicContact CD2-CG2 3.22Å; Y44-I75 HydrophobicContact CE2-CG2 3.38Å; Y44-I75 HydrophobicContact CG-CG2 3.93Å; Q47-I75 HydrophobicContact CB-CG1 4.08Å; Q47-I75 HydrophobicContact CG-CG1 4.29Å; I75-Y77 VanDerWaalsContact C-N 3.25Å; I75-Y77 PolarHBondContact O-N 2.94Å; I75-Y77 VanDerWaalsContact O-N 3.17Å; I75-N78 WeakPolarHBondContact O-CB 3.46Å; I75-N78 PolarHBondContact O-N 3.13Å; I75-N78 VanDerWaalsContact O-N 3.12Å; I75-N81 PolarHBondContact O-ND2 3.38Å; I75-N81 VanDerWaalsContact O-ND2 3.17Å; I75-I87 HydrophobicContact CB-CD1 3.83Å; I75-I87 HydrophobicContact CB-CG1 4.47Å; I75-I87 HydrophobicContact CG2-CD1 3.81Å; I75-I87 HydrophobicContact CG2-CG1 3.99Å |
| 76 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -34.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N81 K84 G85 I87 Y97 | A76-N81 PolarHBondContact O-ND2 3.44Å; A76-N81 VanDerWaalsContact O-ND2 3.16Å; A76-K84 WeakPolarHBondContact O-CA 3.27Å; A76-G85 PolarHBondContact O-N 3.24Å; A76-I87 HydrophobicContact CB-CD1 4.2Å; A76-I87 HydrophobicContact CB-CG1 4.09Å; A76-Y97 HydrophobicContact CB-CD1 3.64Å; A76-Y97 HydrophobicContact CB-CD2 4.06Å; A76-Y97 HydrophobicContact CB-CE1 3.35Å; A76-Y97 HydrophobicContact CB-CE2 3.78Å; A76-Y97 HydrophobicContact CB-CG 3.98Å; A76-Y97 VanDerWaalsContact CB-CZ 3.41Å |
| 77 | Y | 98.5 | Very high | 98.3 | Very high | 165 Ų | 165 | 49.8 Ų | 49.8 | 65% | 0.647 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 12.7 | 177.9 | -62.9 | -79.1 | 0 | 0 | 0 | 113.4 | I75 K84 Y97 | I75-Y77 VanDerWaalsContact C-N 3.25Å; I75-Y77 PolarHBondContact O-N 2.94Å; I75-Y77 VanDerWaalsContact O-N 3.17Å; Y77-K84 HydrophobicContact CD1-CB 4.24Å; Y77-K84 HydrophobicContact CE1-CB 4.48Å; Y77-Y97 HydrophobicContact CE2-CE1 4.4Å |
| 78 | N | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | trans | -53.1 | 143.6 | 175.5 | -160.9 | -75.4 | 0 | 0 | 0 | 110.6 | W41 D74 I75 E80 N81 K84 | W41-N78 HydrophobicContact CE3-CB 3.6Å; W41-N78 HydrophobicContact CZ3-CB 3.77Å; D74-N78 VanDerWaalsContact O-CB 3.23Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-ND2 3.3Å; I75-N78 WeakPolarHBondContact O-CB 3.46Å; I75-N78 PolarHBondContact O-N 3.13Å; I75-N78 VanDerWaalsContact O-N 3.12Å; N78-E80 PolarHBondContact O-N 2.96Å; N78-E80 VanDerWaalsContact O-N 3.17Å; N78-E80 PolarHBondContact OD1-N 2.92Å; N78-E80 VanDerWaalsContact OD1-N 3.09Å; N78-N81 HydrophobicContact CB-CB 4.37Å; N78-N81 WeakPolarHBondContact O-CB 3.37Å; N78-N81 PolarHBondContact O-N 2.89Å; N78-K84 PolarHBondContact O-NZ 3.13Å | ||
| 79 | K | 97.9 | Very high | 98.2 | Very high | 175 Ų | 175 | 50.6 Ų | 50.6 | 76% | 0.761 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -35.3 | 178.1 | 67.7 | -177.7 | -177.2 | 177.1 | 0 | 113.1 | N81 K84 | K79-N81 VanDerWaalsContact C-N 3.3Å; K79-N81 PolarHBondContact O-N 3.01Å; K79-K84 PolarHBondContact O-NZ 3.22Å |
| 80 | E | 96.1 | Very high | 97.9 | Very high | 92 Ų | 92 | 52.3 Ų | 52.3 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.1 | -179.9 | -56.8 | -62.5 | 152.6 | 0 | 0 | 112.8 | W41 N78 I82 | W41-E80 HydrophobicContact CB-CG 4.49Å; W41-E80 HydrophobicContact CD2-CB 3.62Å; W41-E80 HydrophobicContact CD2-CG 4.35Å; W41-E80 HydrophobicContact CE3-CB 4.22Å; W41-E80 HydrophobicContact CG-CB 3.83Å; W41-E80 HydrophobicContact CG-CG 4.04Å; W41-E80 HydrophobicContact CZ2-CB 4.01Å; N78-E80 PolarHBondContact O-N 2.96Å; N78-E80 VanDerWaalsContact O-N 3.17Å; N78-E80 PolarHBondContact OD1-N 2.92Å; N78-E80 VanDerWaalsContact OD1-N 3.09Å; E80-I82 PolarHBondContact O-N 3.25Å |
| 81 | N | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | trans | -75.8 | 109.5 | -179.8 | -165.2 | -13.5 | 0 | 0 | 0 | 111.2 | W41 I75 A76 N78 K79 W83 K84 K86 | W41-N81 HydrophobicContact CH2-CB 3.43Å; W41-N81 VanDerWaalsContact CH2-CB 3.43Å; W41-N81 HydrophobicContact CZ2-CB 4.47Å; W41-N81 HydrophobicContact CZ3-CB 3.57Å; I75-N81 PolarHBondContact O-ND2 3.38Å; I75-N81 VanDerWaalsContact O-ND2 3.17Å; A76-N81 PolarHBondContact O-ND2 3.44Å; A76-N81 VanDerWaalsContact O-ND2 3.16Å; N78-N81 HydrophobicContact CB-CB 4.37Å; N78-N81 WeakPolarHBondContact O-CB 3.37Å; N78-N81 PolarHBondContact O-N 2.89Å; K79-N81 VanDerWaalsContact C-N 3.3Å; K79-N81 PolarHBondContact O-N 3.01Å; N81-W83 PolarHBondContact O-N 3.42Å; N81-W83 PolarHBondContact OD1-N 2.89Å; N81-W83 PolarHBondContact OD1-O 3.16Å; N81-K84 VanDerWaalsContact O-CD 3.3Å; N81-K84 WeakPolarHBondContact O-CD 3.41Å; N81-K84 VanDerWaalsContact O-CE 3.26Å; N81-K84 WeakPolarHBondContact O-CE 3.47Å; N81-K84 PolarHBondContact O-NZ 3.09Å; N81-K86 PolarHBondContact ND2-O 3.14Å | ||
| 82 | I | 96.9 | Very high | 97.1 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -72.6 | -17.4 | 176.9 | 61.5 | 156.4 | 0 | 0 | 0 | 113 | E80 T226 L227 | E80-I82 PolarHBondContact O-N 3.25Å; I82-T226 HydrophobicContact CD1-CG2 3.35Å; I82-T226 HydrophobicContact CG1-CG2 4.43Å; I82-L227 HydrophobicContact CG1-CD2 3.79Å |
| 83 | W | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 61.7 Ų | 61.7 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -112 | 70.3 | 178.2 | -55.2 | -45.2 | 0 | 0 | 0 | 110 | N81 G85 K86 I88 L227 | N81-W83 PolarHBondContact O-N 3.42Å; N81-W83 PolarHBondContact OD1-N 2.89Å; N81-W83 PolarHBondContact OD1-O 3.16Å; W83-G85 PolarHBondContact O-N 2.83Å; W83-K86 HydrophobicContact CB-CB 4.28Å; W83-K86 HydrophobicContact CB-CD 4.43Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.64Å; W83-I88 HydrophobicContact CZ3-CD1 3.74Å; W83-L227 HydrophobicContact CE3-CD1 3.96Å; W83-L227 HydrophobicContact CE3-CD2 4.01Å; W83-L227 HydrophobicContact CE3-CG 4.22Å; W83-L227 HydrophobicContact CH2-CG 4.39Å; W83-L227 HydrophobicContact CZ3-CD1 3.58Å; W83-L227 HydrophobicContact CZ3-CD2 4.03Å; W83-L227 HydrophobicContact CZ3-CG 3.76Å |
| 84 | K | 97.9 | Very high | 96.5 | Very high | 104 Ų | 104 | 67.9 Ų | 67.9 | 45% | 0.452 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 135.9 | -178.3 | -59.1 | -59.3 | -175.4 | -147.3 | 0 | 111.9 | A76 Y77 N78 K79 N81 K86 | A76-K84 WeakPolarHBondContact O-CA 3.27Å; Y77-K84 HydrophobicContact CD1-CB 4.24Å; Y77-K84 HydrophobicContact CE1-CB 4.48Å; N78-K84 PolarHBondContact O-NZ 3.13Å; K79-K84 PolarHBondContact O-NZ 3.22Å; N81-K84 VanDerWaalsContact O-CD 3.3Å; N81-K84 WeakPolarHBondContact O-CD 3.41Å; N81-K84 VanDerWaalsContact O-CE 3.26Å; N81-K84 WeakPolarHBondContact O-CE 3.47Å; N81-K84 PolarHBondContact O-NZ 3.09Å; K84-K86 VanDerWaalsContact C-N 3.29Å |
| 85 | G | 98.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 68.6 Ų | 68.6 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A76 W83 Y97 | A76-G85 PolarHBondContact O-N 3.24Å; W83-G85 PolarHBondContact O-N 2.83Å; G85-Y97 WeakPolarHBondContact O-CD1 3.47Å |
| 86 | K | 98.4 | Very high | 96.5 | Very high | 109 Ų | 109 | 69.1 Ų | 69.1 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | trans | -127.3 | 146.5 | 177.4 | -59.6 | -176.4 | 179.3 | 178.6 | 0 | 112 | N81 W83 K84 D95 | N81-K86 PolarHBondContact ND2-O 3.14Å; W83-K86 HydrophobicContact CB-CB 4.28Å; W83-K86 HydrophobicContact CB-CD 4.43Å; W83-K86 WeakPolarHBondContact O-CB 3.4Å; W83-K86 PolarHBondContact O-N 2.64Å; K84-K86 VanDerWaalsContact C-N 3.29Å; K86-D95 WeakPolarHBondContact CA-OD1 3.15Å; K86-D95 HydrophobicContact CB-CB 4.35Å; K86-D95 HydrophobicContact CD-CB 4.4Å; K86-D95 HydrophobicContact CG-CB 4.26Å | ||
| 87 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -131.3 | 139.3 | 168.3 | -56.5 | -177.8 | 0 | 0 | 0 | 107.4 | Y44 A48 I75 A76 D95 V96 Y97 | Y44-I87 HydrophobicContact CE1-CG2 3.75Å; Y44-I87 HydrophobicContact CE2-CG2 4.43Å; Y44-I87 VanDerWaalsContact OH-CA 3.3Å; Y44-I87 WeakPolarHBondContact OH-CA 3.32Å; Y44-I87 WeakPolarHBondContact OH-CG2 3.41Å; A48-I87 HydrophobicContact CB-CG2 3.49Å; A48-I87 VanDerWaalsContact CB-CG2 3.49Å; I75-I87 HydrophobicContact CB-CD1 3.83Å; I75-I87 HydrophobicContact CB-CG1 4.47Å; I75-I87 HydrophobicContact CG2-CD1 3.81Å; I75-I87 HydrophobicContact CG2-CG1 3.99Å; A76-I87 HydrophobicContact CB-CD1 4.2Å; A76-I87 HydrophobicContact CB-CG1 4.09Å; I87-D95 PolarHBondContact N-OD1 3.22Å; I87-D95 CarbonylContact O-C 3.24Å; I87-D95 VanDerWaalsContact O-CA 3.32Å; I87-D95 WeakPolarHBondContact O-CA 3.32Å; I87-D95 VanDerWaalsContact O-OD1 3.13Å; I87-V96 HydrophobicContact CB-CG2 4.32Å; I87-V96 HydrophobicContact CG2-CG2 4.21Å; I87-V96 VanDerWaalsContact O-CG2 3.29Å; I87-V96 WeakPolarHBondContact O-CG2 3.49Å; I87-V96 PolarHBondContact O-N 2.89Å; I87-Y97 HydrophobicContact CD1-CD2 3.52Å; I87-Y97 HydrophobicContact CD1-CE2 4.13Å; I87-Y97 HydrophobicContact CD1-CG 4.09Å; I87-Y97 HydrophobicContact CG1-CD2 4.01Å; I87-Y97 HydrophobicContact CG1-CG 4.04Å | ||
| 88 | I | 98 | Very high | 96.5 | Very high | 13 Ų | 13 | 70.1 Ų | 70.1 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 143.3 | 177.6 | 62.2 | 171.2 | 0 | 0 | 0 | 109 | Y44 W83 L227 L231 | Y44-I88 VanDerWaalsContact CE1-O 3.24Å; Y44-I88 WeakPolarHBondContact CE1-O 3.18Å; Y44-I88 PolarHBondContact OH-N 3.13Å; Y44-I88 PolarHBondContact OH-O 3.34Å; W83-I88 HydrophobicContact CZ3-CD1 3.74Å; I88-L227 HydrophobicContact CD1-CD1 4.48Å; I88-L227 HydrophobicContact CG1-CD1 4.48Å; I88-L231 HydrophobicContact CD1-CD1 3.73Å; I88-L231 HydrophobicContact CD1-CD2 4.25Å; I88-L231 HydrophobicContact CG1-CD1 3.95Å; I88-L231 HydrophobicContact CG1-CD2 3.92Å; I88-L231 HydrophobicContact CG1-CG 4.5Å |
| 89 | N | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -113.2 | 5.9 | -178.5 | -172.6 | -126.4 | 0 | 0 | 0 | 113.6 | A48 D49 H52 V96 L231 G232 M240 | A48-N89 HydrophobicContact CB-CB 4.16Å; D49-N89 PolarHBondContact N-ND2 3.42Å; D49-N89 PolarHBondContact OD1-ND2 3.39Å; H52-N89 HydrophobicContact CB-CB 3.96Å; H52-N89 PolarHBondContact ND1-OD1 3.36Å; N89-V96 HydrophobicContact CB-CG2 4.27Å; N89-L231 PolarHBondContact ND2-O 3.41Å; N89-G232 WeakPolarHBondContact ND2-CA 3.22Å; N89-M240 VanDerWaalsContact OD1-CE 3.28Å; N89-M240 WeakPolarHBondContact OD1-CE 3.33Å |
| 90 | H | 94.5 | Very high | 96.5 | Very high | 36 Ų | 36 | 63.2 Ų | 63.2 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -147.1 | 149.1 | 177.9 | 177.2 | -87 | 0 | 0 | 0 | 109 | K92 G93 F222 E241 | H90-K92 PolarHBondContact O-N 3.48Å; H90-G93 WeakPolarHBondContact O-CA 3.23Å; H90-G93 PolarHBondContact O-N 2.83Å; H90-F222 HydrophobicContact CB-CE2 4.47Å; H90-F222 AromaticContact CD2-CE2 3.72Å; H90-F222 AromaticContact CD2-CZ 3.49Å; H90-F222 VanDerWaalsContact CD2-CZ 3.49Å; H90-F222 WeakPolarHBondContact CD2-CZ 3.44Å; H90-E241 IonicContact CD2-OE1 3.04Å; H90-E241 PolarHBondContact CD2-OE1 2.93Å; H90-E241 IonicContact CG-OE1 3.03Å |
| 91 | P | 92.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 125.6 | 175.9 | -30.3 | 40.7 | 0 | 0 | 0 | 111.8 | G93 F222 L231 F303 | P91-G93 PolarHBondContact O-N 2.91Å; P91-G93 VanDerWaalsContact O-N 3.13Å; P91-F222 VanDerWaalsContact CD-CG 3.41Å; P91-F222 HydrophobicContact CG-CB 3.75Å; P91-F222 HydrophobicContact CG-CD1 3.67Å; P91-F222 HydrophobicContact CG-CE1 4.37Å; P91-F222 HydrophobicContact CG-CG 3.81Å; P91-L231 HydrophobicContact CG-CD1 4.37Å; P91-F303 HydrophobicContact CB-CE1 3.97Å; P91-F303 HydrophobicContact CG-CD1 4.34Å; P91-F303 HydrophobicContact CG-CE1 3.85Å |
| 92 | K | 87.8 | Confident | 96.7 | Very high | 212 Ų | 212 | 63 Ų | 63 | 92% | 0.922 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 23.1 | -172 | -51.3 | 175.6 | -178.6 | 175.1 | 0 | 113.6 | H90 | H90-K92 PolarHBondContact O-N 3.48Š|
| 93 | G | 91.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 58.7 Ų | 58.7 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 170 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H90 P91 | H90-G93 WeakPolarHBondContact O-CA 3.23Å; H90-G93 PolarHBondContact O-N 2.83Å; P91-G93 PolarHBondContact O-N 2.91Å; P91-G93 VanDerWaalsContact O-N 3.13Å |
| 94 | K | 94 | Very high | 96.9 | Very high | 182 Ų | 182 | 54 Ų | 54 | 79% | 0.791 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 161.2 | 173.3 | -64.9 | 177.9 | -177.1 | 172.3 | 0 | 110 | V96 | K94-V96 PolarHBondContact O-N 2.96Š|
| 95 | D | 98 | Very high | 97 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -63.2 | 125.8 | 169.8 | 176.5 | 34.1 | 0 | 0 | 0 | 110.3 | K86 I87 Y97 K98 | K86-D95 WeakPolarHBondContact CA-OD1 3.15Å; K86-D95 HydrophobicContact CB-CB 4.35Å; K86-D95 HydrophobicContact CD-CB 4.4Å; K86-D95 HydrophobicContact CG-CB 4.26Å; I87-D95 PolarHBondContact N-OD1 3.22Å; I87-D95 CarbonylContact O-C 3.24Å; I87-D95 VanDerWaalsContact O-CA 3.32Å; I87-D95 WeakPolarHBondContact O-CA 3.32Å; I87-D95 VanDerWaalsContact O-OD1 3.13Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.46Å; D95-Y97 PolarHBondContact OD1-N 3.46Å; D95-K98 WeakPolarHBondContact OD2-CB 3.21Å |
| 96 | V | 98.6 | Very high | 97 | Very high | 12 Ų | 12 | 51 Ų | 51 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | trans | -104.9 | -5.9 | 176.5 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | C51 H52 Q55 I87 N89 K94 V100 | C51-V96 HydrophobicContact CB-CB 4.07Å; C51-V96 HydrophobicContact CB-CG2 3.62Å; C51-V96 WeakPolarHBondContact CB-O 3.39Å; H52-V96 HydrophobicContact CB-CB 4.31Å; H52-V96 HydrophobicContact CB-CG1 4.03Å; Q55-V96 HydrophobicContact CG-CB 4.04Å; Q55-V96 HydrophobicContact CG-CG1 4.32Å; Q55-V96 PolarHBondContact NE2-O 3.03Å; I87-V96 HydrophobicContact CB-CG2 4.32Å; I87-V96 HydrophobicContact CG2-CG2 4.21Å; I87-V96 VanDerWaalsContact O-CG2 3.29Å; I87-V96 WeakPolarHBondContact O-CG2 3.49Å; I87-V96 PolarHBondContact O-N 2.89Å; N89-V96 HydrophobicContact CB-CG2 4.27Å; K94-V96 PolarHBondContact O-N 2.96Å; V96-V100 VanDerWaalsContact O-CG2 3.23Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å | ||
| 97 | Y | 98.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 9% | 0.086 | 27% | 0.274 | C | S | . | . | trans | -82.3 | -31.4 | -175.8 | -176.4 | -113.9 | 0 | 0 | 0 | 113.9 | M71 D73 A76 Y77 G85 I87 D95 G99 V100 K102 | M71-Y97 HydrophobicContact CE-CD2 4.39Å; M71-Y97 HydrophobicContact CE-CE2 3.88Å; D73-Y97 VanDerWaalsContact OD1-CE2 3.31Å; D73-Y97 WeakPolarHBondContact OD1-CE2 3.08Å; D73-Y97 PolarHBondContact OD1-OH 3.04Å; D73-Y97 PolarHBondContact OD2-OH 2.89Å; A76-Y97 HydrophobicContact CB-CD1 3.64Å; A76-Y97 HydrophobicContact CB-CD2 4.06Å; A76-Y97 HydrophobicContact CB-CE1 3.35Å; A76-Y97 HydrophobicContact CB-CE2 3.78Å; A76-Y97 HydrophobicContact CB-CG 3.98Å; A76-Y97 VanDerWaalsContact CB-CZ 3.41Å; Y77-Y97 HydrophobicContact CE2-CE1 4.4Å; G85-Y97 WeakPolarHBondContact O-CD1 3.47Å; I87-Y97 HydrophobicContact CD1-CD2 3.52Å; I87-Y97 HydrophobicContact CD1-CE2 4.13Å; I87-Y97 HydrophobicContact CD1-CG 4.09Å; I87-Y97 HydrophobicContact CG1-CD2 4.01Å; I87-Y97 HydrophobicContact CG1-CG 4.04Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.46Å; D95-Y97 PolarHBondContact OD1-N 3.46Å; Y97-G99 PolarHBondContact O-N 3.21Å; Y97-V100 WeakPolarHBondContact O-CB 3.45Å; Y97-V100 VanDerWaalsContact O-CG2 3.24Å; Y97-V100 WeakPolarHBondContact O-CG2 3.39Å; Y97-V100 PolarHBondContact O-N 3.04Å; Y97-K102 WeakPolarHBondContact OH-CE 3.22Å | ||
| 98 | K | 98.5 | Very high | 96.9 | Very high | 164 Ų | 164 | 55.9 Ų | 55.9 | 71% | 0.713 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 128.2 | -177.1 | -176.7 | -179.4 | 178.8 | -174.7 | 0 | 111.3 | Q55 D95 V100 | Q55-K98 PolarHBondContact NE2-O 2.99Å; D95-K98 WeakPolarHBondContact OD2-CB 3.21Å; K98-V100 VanDerWaalsContact C-N 3.26Å; K98-V100 PolarHBondContact O-N 2.98Å |
| 99 | G | 98.3 | Very high | 97 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -17.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y54 Y97 P101 | Y54-G99 PolarHBondContact OH-O 3.09Å; Y97-G99 PolarHBondContact O-N 3.21Å; G99-P101 VanDerWaalsContact O-CD 3.32Å; G99-P101 WeakPolarHBondContact O-CD 3.39Å |
| 100 | V | 98.8 | Very high | 97 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | trans | -56.1 | 121.4 | -178.3 | -179 | 0 | 0 | 0 | 0 | 110.1 | C51 Y54 V69 M71 V96 Y97 K98 K102 | C51-V100 HydrophobicContact CB-CG2 4.05Å; Y54-V100 HydrophobicContact CD1-CB 4.02Å; Y54-V100 HydrophobicContact CD1-CG1 4.46Å; Y54-V100 HydrophobicContact CD1-CG2 3.42Å; Y54-V100 VanDerWaalsContact CD1-CG2 3.42Å; Y54-V100 HydrophobicContact CE1-CB 4.4Å; Y54-V100 HydrophobicContact CE1-CG2 4.06Å; Y54-V100 HydrophobicContact CG-CB 4.36Å; Y54-V100 HydrophobicContact CG-CG1 4.31Å; Y54-V100 HydrophobicContact CG-CG2 4Å; V69-V100 HydrophobicContact CG1-CG1 3.99Å; V69-V100 HydrophobicContact CG2-CG1 4.22Å; M71-V100 HydrophobicContact CE-CB 4.38Å; M71-V100 HydrophobicContact CE-CG1 3.66Å; M71-V100 HydrophobicContact SD-CG1 4.31Å; V96-V100 VanDerWaalsContact O-CG2 3.23Å; V96-V100 WeakPolarHBondContact O-CG2 3.37Å; Y97-V100 WeakPolarHBondContact O-CB 3.45Å; Y97-V100 VanDerWaalsContact O-CG2 3.24Å; Y97-V100 WeakPolarHBondContact O-CG2 3.39Å; Y97-V100 PolarHBondContact O-N 3.04Å; K98-V100 VanDerWaalsContact C-N 3.26Å; K98-V100 PolarHBondContact O-N 2.98Å; V100-K102 PolarHBondContact O-NZ 3.26Å | ||
| 101 | P | 98.7 | Very high | 97.2 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | trans | -54.5 | 150.2 | 174.6 | -28.3 | 35 | 0 | 0 | 0 | 112.1 | Y54 V69 G99 D103 | Y54-P101 VanDerWaalsContact CD2-CD 3.49Å; Y54-P101 HydrophobicContact CD2-CG 4.32Å; Y54-P101 HydrophobicContact CE2-CG 3.84Å; V69-P101 HydrophobicContact CB-CB 4.43Å; V69-P101 WeakPolarHBondContact CB-O 3.33Å; V69-P101 HydrophobicContact CG2-CB 4.16Å; V69-P101 HydrophobicContact CG2-CG 4.31Å; G99-P101 VanDerWaalsContact O-CD 3.32Å; G99-P101 WeakPolarHBondContact O-CD 3.39Å; P101-D103 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 102 | K | 98.7 | Very high | 97.5 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 30% | 0.3 | 31% | 0.306 | S | S | . | . | trans | -116.1 | 50.9 | 178.7 | -59.5 | -61.1 | -175.9 | -85 | 0 | 109.6 | M71 D73 Y97 V100 T105 | M71-K102 HydrophobicContact CE-CD 3.43Å; M71-K102 VanDerWaalsContact CE-CD 3.43Å; D73-K102 HydrophobicContact CB-CD 4.42Å; D73-K102 VanDerWaalsContact CG-CE 3.46Å; D73-K102 WeakPolarHBondContact OD1-CE 3.25Å; D73-K102 WeakPolarHBondContact OD2-CD 3.48Å; D73-K102 VanDerWaalsContact OD2-CE 3.31Å; D73-K102 WeakPolarHBondContact OD2-CE 3.19Å; Y97-K102 WeakPolarHBondContact OH-CE 3.22Å; V100-K102 PolarHBondContact O-NZ 3.26Å; K102-T105 HydrophobicContact CB-CG2 3.86Å; K102-T105 HydrophobicContact CD-CG2 4.1Å | ||
| 103 | D | 98.9 | Very high | 98 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -64.1 | -47.3 | -170.9 | -65.4 | -58 | 0 | 0 | 0 | 111.5 | V68 V69 P101 G129 S130 K132 | V68-D103 WeakPolarHBondContact CA-OD2 3.37Å; V68-D103 HydrophobicContact CG1-CB 4.12Å; V69-D103 PolarHBondContact N-OD2 3.17Å; V69-D103 WeakPolarHBondContact O-CB 3.46Å; V69-D103 PolarHBondContact O-N 2.97Å; P101-D103 WeakPolarHBondContact CB-OD2 3.42Å; D103-G129 CarbonylContact O-C 3.59Å; D103-G129 WeakPolarHBondContact O-CA 3.16Å; D103-S130 VanDerWaalsContact CA-OG 3.28Å; D103-S130 WeakPolarHBondContact CA-OG 3.39Å; D103-S130 WeakPolarHBondContact CB-OG 2.94Å; D103-S130 VanDerWaalsContact CG-OG 3.29Å; D103-S130 PolarHBondContact O-N 3.26Å; D103-S130 WeakPolarHBondContact OD1-CB 3.19Å; D103-S130 PolarHBondContact OD1-OG 3.3Å; D103-K132 VanDerWaalsContact CG-NZ 3.33Å; D103-K132 WeakPolarHBondContact OD1-CE 3.35Å; D103-K132 IonicContact OD1-NZ 3.6Å; D103-K132 PolarHBondContact OD1-NZ 3.42Å; D103-K132 IonicContact OD2-NZ 2.85Å; D103-K132 PolarHBondContact OD2-NZ 2.73Å |
| 104 | Y | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -134.7 | 111.2 | 175.9 | -58.6 | -82.1 | 0 | 0 | 0 | 110.3 | V68 V69 M70 M71 H108 V109 I117 M125 I128 K132 | V68-Y104 HydrophobicContact CG1-CD2 3.86Å; V68-Y104 HydrophobicContact CG1-CE2 3.67Å; V69-Y104 PolarHBondContact O-N 3Å; M70-Y104 WeakPolarHBondContact CA-O 3.26Å; M70-Y104 HydrophobicContact CG-CD2 4Å; M70-Y104 HydrophobicContact CG-CG 4.34Å; M71-Y104 PolarHBondContact N-O 3.41Å; Y104-H108 HydrophobicContact CD1-CB 4.14Å; Y104-V109 WeakPolarHBondContact O-CG2 3.34Å; Y104-I117 HydrophobicContact CD2-CD1 3.43Å; Y104-I117 VanDerWaalsContact CD2-CD1 3.43Å; Y104-I117 HydrophobicContact CD2-CG1 4.39Å; Y104-I117 HydrophobicContact CE1-CD1 4.36Å; Y104-I117 HydrophobicContact CE2-CD1 3.21Å; Y104-I117 HydrophobicContact CE2-CG1 3.68Å; Y104-I117 HydrophobicContact CG-CD1 4.09Å; Y104-M125 HydrophobicContact CD1-CE 3.98Å; Y104-M125 HydrophobicContact CE1-CE 3.09Å; Y104-M125 VanDerWaalsContact CZ-CE 3.44Å; Y104-M125 VanDerWaalsContact OH-CE 3.31Å; Y104-M125 WeakPolarHBondContact OH-CE 3.42Å; Y104-I128 HydrophobicContact CD1-CG2 4.14Å; Y104-I128 HydrophobicContact CE1-CG2 4Å; Y104-I128 VanDerWaalsContact CE1-O 3.32Å; Y104-I128 WeakPolarHBondContact CE1-O 3.3Å; Y104-K132 VanDerWaalsContact CE2-O 3.24Å; Y104-K132 WeakPolarHBondContact CE2-O 3.48Å; Y104-K132 PolarHBondContact OH-N 3.43Å; Y104-K132 PolarHBondContact OH-O 2.63Å |
| 105 | T | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | trans | -123.1 | 165.2 | -178.7 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | M71 D73 K102 K107 H108 | M71-T105 WeakPolarHBondContact O-CA 3.34Å; D73-T105 HydrophobicContact CB-CG2 3.71Å; K102-T105 HydrophobicContact CB-CG2 3.86Å; K102-T105 HydrophobicContact CD-CG2 4.1Å; T105-K107 PolarHBondContact O-N 3.27Å; T105-H108 WeakPolarHBondContact O-CB 3.39Å; T105-H108 PolarHBondContact O-N 2.92Å | ||
| 106 | G | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 49.8 | -120.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y72 H108 V109 | Y72-G106 WeakPolarHBondContact CD2-O 3.15Å; Y72-G106 WeakPolarHBondContact CE2-O 3.39Å; Y72-G106 PolarHBondContact O-N 3.29Å; G106-H108 PolarHBondContact O-N 3.35Å; G106-H108 VanDerWaalsContact O-N 3.1Å; G106-V109 PolarHBondContact O-N 3.29Å |
| 107 | K | 97.8 | Very high | 98.6 | Very high | 162 Ų | 162 | 41.9 Ų | 41.9 | 70% | 0.704 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -64.3 | -11.8 | -179.2 | 70.6 | -180 | -177.3 | -179.6 | 0 | 114.8 | T105 T110 | T105-K107 PolarHBondContact O-N 3.27Å; K107-T110 WeakPolarHBondContact O-CG2 3.28Å |
| 108 | H | 98.6 | Very high | 98.6 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -88.9 | -6.6 | -179 | -59.9 | -60.4 | 0 | 0 | 0 | 113.2 | Y104 T105 G106 T110 N113 I128 | Y104-H108 HydrophobicContact CD1-CB 4.14Å; T105-H108 WeakPolarHBondContact O-CB 3.39Å; T105-H108 PolarHBondContact O-N 2.92Å; G106-H108 PolarHBondContact O-N 3.35Å; G106-H108 VanDerWaalsContact O-N 3.1Å; H108-T110 PolarHBondContact O-N 2.89Å; H108-T110 VanDerWaalsContact O-N 3.1Å; H108-N113 PolarHBondContact O-ND2 3.48Å; H108-I128 HydrophobicContact CB-CG2 4.3Å; H108-I128 WeakPolarHBondContact ND1-CG2 3.32Å |
| 109 | V | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -80.2 | 89.4 | 171.8 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | M70 Y104 G106 F157 P158 | M70-V109 HydrophobicContact CB-CG1 4.39Å; Y104-V109 WeakPolarHBondContact O-CG2 3.34Å; G106-V109 PolarHBondContact O-N 3.29Å; V109-F157 HydrophobicContact CG1-CD1 3.97Å; V109-F157 HydrophobicContact CG1-CE1 4.29Å; V109-P158 HydrophobicContact CB-CG 4.01Å; V109-P158 HydrophobicContact CG1-CG 3.85Å; V109-P158 WeakPolarHBondContact O-CD 2.99Å | ||
| 110 | T | 98.5 | Very high | 98.6 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 16% | 0.16 | 15% | 0.154 | C | C | . | . | trans | -138.6 | 153.3 | -176.3 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | K107 H108 K112 N113 F114 F157 | K107-T110 WeakPolarHBondContact O-CG2 3.28Å; H108-T110 PolarHBondContact O-N 2.89Å; H108-T110 VanDerWaalsContact O-N 3.1Å; T110-K112 PolarHBondContact O-N 2.82Å; T110-N113 PolarHBondContact O-N 3.27Å; T110-N113 WeakPolarHBondContact OG1-CB 3.23Å; T110-N113 VanDerWaalsContact OG1-CG 3.28Å; T110-N113 PolarHBondContact OG1-N 2.83Å; T110-N113 PolarHBondContact OG1-ND2 3.26Å; T110-F114 PolarHBondContact O-N 3.09Å; T110-F157 VanDerWaalsContact CA-CD1 3.48Å; T110-F157 WeakPolarHBondContact O-CE1 3.5Å | ||
| 111 | P | 98.5 | Very high | 98.6 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.104 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.4 | -39.1 | 173.8 | -26.5 | 34.2 | 0 | 0 | 0 | 112.9 | F114 R115 F157 T160 E161 M162 | P111-F114 WeakPolarHBondContact O-CB 3.21Å; P111-F114 PolarHBondContact O-N 3.07Å; P111-R115 WeakPolarHBondContact O-CB 3.42Å; P111-R115 PolarHBondContact O-N 3.25Å; P111-F157 HydrophobicContact CB-CD2 4.47Å; P111-F157 HydrophobicContact CB-CE2 4.42Å; P111-F157 HydrophobicContact CG-CB 4.13Å; P111-F157 HydrophobicContact CG-CD1 4.32Å; P111-F157 HydrophobicContact CG-CD2 3.65Å; P111-F157 HydrophobicContact CG-CE2 4.06Å; P111-F157 HydrophobicContact CG-CG 3.78Å; P111-T160 WeakPolarHBondContact CD-OG1 3.46Å; P111-T160 WeakPolarHBondContact CG-OG1 3.03Å; P111-E161 WeakPolarHBondContact CG-O 3.49Å; P111-M162 HydrophobicContact CB-CB 4.02Å; P111-M162 HydrophobicContact CB-CE 3.79Å; P111-M162 HydrophobicContact CG-CB 4.18Å |
| 112 | K | 98.4 | Very high | 98.5 | Very high | 143 Ų | 143 | 36.6 Ų | 36.6 | 62% | 0.622 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -59.6 | -52.1 | 176.9 | -178.9 | -179.1 | 176.3 | -177.5 | 0 | 111.1 | T110 F114 R115 S116 | T110-K112 PolarHBondContact O-N 2.82Å; K112-F114 VanDerWaalsContact C-N 3.34Å; K112-F114 PolarHBondContact O-N 3.23Å; K112-R115 PolarHBondContact O-N 2.88Å; K112-S116 PolarHBondContact O-N 3.21Å; K112-S116 PolarHBondContact O-OG 3.33Å |
| 113 | N | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -40.5 | -180 | -68.5 | -9.4 | 0 | 0 | 0 | 111 | M70 H108 T110 R115 S116 I117 M125 I128 | M70-N113 HydrophobicContact CE-CB 3.98Å; H108-N113 PolarHBondContact O-ND2 3.48Å; T110-N113 PolarHBondContact O-N 3.27Å; T110-N113 WeakPolarHBondContact OG1-CB 3.23Å; T110-N113 VanDerWaalsContact OG1-CG 3.28Å; T110-N113 PolarHBondContact OG1-N 2.83Å; T110-N113 PolarHBondContact OG1-ND2 3.26Å; N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 2.95Å; N113-S116 PolarHBondContact O-N 2.05Å; N113-I117 HydrophobicContact CB-CD1 4.46Å; N113-I117 WeakPolarHBondContact O-CB 3.36Å; N113-I117 WeakPolarHBondContact O-CD1 3.26Å; N113-I117 WeakPolarHBondContact O-CG1 3.3Å; N113-I117 PolarHBondContact O-N 3.17Å; N113-M125 HydrophobicContact CB-CE 3.83Å; N113-I128 WeakPolarHBondContact ND2-CG2 3.3Å |
| 114 | F | 98.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.1 | -49.5 | 173 | 170.2 | -88.1 | 0 | 0 | 0 | 111.7 | L33 V35 M70 T110 P111 K112 I117 L118 V144 F157 M162 L167 | L33-F114 HydrophobicContact CD2-CD2 3.57Å; L33-F114 HydrophobicContact CD2-CE2 3.58Å; L33-F114 HydrophobicContact CD2-CG 4.42Å; L33-F114 HydrophobicContact CD2-CZ 4.44Å; L33-F114 HydrophobicContact CG-CD2 4.38Å; L33-F114 HydrophobicContact CG-CE2 4.34Å; V35-F114 HydrophobicContact CG2-CD2 3.78Å; V35-F114 HydrophobicContact CG2-CE2 3.97Å; M70-F114 HydrophobicContact CE-CB 4.23Å; M70-F114 HydrophobicContact SD-CB 3.99Å; M70-F114 HydrophobicContact SD-CD2 4.36Å; T110-F114 PolarHBondContact O-N 3.09Å; P111-F114 WeakPolarHBondContact O-CB 3.21Å; P111-F114 PolarHBondContact O-N 3.07Å; K112-F114 VanDerWaalsContact C-N 3.34Å; K112-F114 PolarHBondContact O-N 3.23Å; F114-I117 PolarHBondContact O-N 3.14Å; F114-L118 HydrophobicContact CD1-CD1 4.11Å; F114-L118 HydrophobicContact CE1-CD1 3.44Å; F114-L118 VanDerWaalsContact CE1-CD1 3.44Å; F114-L118 HydrophobicContact CE1-CG 4.47Å; F114-L118 HydrophobicContact CE2-CD1 4.14Å; F114-L118 HydrophobicContact CZ-CD1 3.47Å; F114-L118 VanDerWaalsContact CZ-CD1 3.47Å; F114-L118 HydrophobicContact CZ-CG 4.42Å; F114-L118 PolarHBondContact O-N 3.07Å; F114-L118 VanDerWaalsContact O-N 3.07Å; F114-V144 HydrophobicContact CE2-CG1 4.13Å; F114-V144 HydrophobicContact CZ-CG1 4.31Å; F114-F157 HydrophobicContact CB-CE1 4.13Å; F114-F157 HydrophobicContact CB-CZ 3.78Å; F114-F157 HydrophobicContact CD2-CZ 4.26Å; F114-F157 HydrophobicContact CG-CZ 4.05Å; F114-M162 HydrophobicContact CD1-CE 3.33Å; F114-M162 HydrophobicContact CD1-SD 3.94Å; F114-M162 HydrophobicContact CE1-CE 3.81Å; F114-M162 HydrophobicContact CE1-SD 3.81Å; F114-M162 HydrophobicContact CG-CE 4.25Å; F114-L167 HydrophobicContact CE1-CD1 4.06Å; F114-L167 HydrophobicContact CZ-CD1 4.37Å |
| 115 | R | 98.7 | Very high | 98.4 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 25% | 0.249 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 176.5 | 175.4 | 176.9 | -177.5 | -77.7 | 9.6 | 111.7 | P111 K112 N113 I117 L118 L119 E169 T170 | P111-R115 WeakPolarHBondContact O-CB 3.42Å; P111-R115 PolarHBondContact O-N 3.25Å; K112-R115 PolarHBondContact O-N 2.88Å; N113-R115 VanDerWaalsContact C-N 3.33Å; N113-R115 PolarHBondContact O-N 2.95Å; R115-I117 VanDerWaalsContact C-N 3.3Å; R115-I117 PolarHBondContact O-N 2.87Å; R115-L118 PolarHBondContact O-N 3.27Å; R115-L119 HydrophobicContact CG-CD1 3.74Å; R115-L119 HydrophobicContact CG-CG 4.36Å; R115-L119 WeakPolarHBondContact O-CB 3.02Å; R115-L119 WeakPolarHBondContact O-CG 3.46Å; R115-L119 PolarHBondContact O-N 3.34Å; R115-E169 IonicContact CZ-OE1 3.92Å; R115-E169 IonicContact NE-OE1 2.97Å; R115-E169 IonicContact NH2-OE1 3.18Å; R115-E169 PolarHBondContact NH2-OE1 2.78Å; R115-T170 HydrophobicContact CB-CG2 4.36Å; R115-T170 WeakPolarHBondContact CD-OG1 3.48Å; R115-T170 HydrophobicContact CG-CG2 3.97Å; R115-T170 WeakPolarHBondContact CG-OG1 3.07Å |
| 116 | S | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -35.1 | -178.7 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | K112 N113 L119 G120 L121 E124 M125 | K112-S116 PolarHBondContact O-N 3.21Å; K112-S116 PolarHBondContact O-OG 3.33Å; N113-S116 PolarHBondContact O-N 2.05Å; S116-L119 CarbonylContact O-C 3.58Å; S116-G120 PolarHBondContact O-N 3.44Å; S116-G120 VanDerWaalsContact O-N 3.11Å; S116-L121 PolarHBondContact O-N 2.96Å; S116-E124 PolarHBondContact OG-OE2 3.32Å; S116-M125 WeakPolarHBondContact CB-SD 3.38Å |
| 117 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -50.8 | 174.3 | -71.5 | 158.2 | 0 | 0 | 0 | 111.2 | L33 V68 M70 Y104 N113 F114 R115 L119 G120 M125 I134 | L33-I117 HydrophobicContact CD1-CG2 3.93Å; L33-I117 HydrophobicContact CD2-CG2 4.04Å; V68-I117 HydrophobicContact CB-CG2 4.29Å; V68-I117 HydrophobicContact CG1-CD1 4.19Å; V68-I117 HydrophobicContact CG1-CG2 3.91Å; V68-I117 HydrophobicContact CG2-CG2 4.21Å; M70-I117 HydrophobicContact CE-CD1 4.07Å; M70-I117 HydrophobicContact CG-CD1 4.09Å; M70-I117 HydrophobicContact SD-CD1 3.54Å; M70-I117 VanDerWaalsContact SD-CD1 3.54Å; Y104-I117 HydrophobicContact CD2-CD1 3.43Å; Y104-I117 VanDerWaalsContact CD2-CD1 3.43Å; Y104-I117 HydrophobicContact CD2-CG1 4.39Å; Y104-I117 HydrophobicContact CE1-CD1 4.36Å; Y104-I117 HydrophobicContact CE2-CD1 3.21Å; Y104-I117 HydrophobicContact CE2-CG1 3.68Å; Y104-I117 HydrophobicContact CG-CD1 4.09Å; N113-I117 HydrophobicContact CB-CD1 4.46Å; N113-I117 WeakPolarHBondContact O-CB 3.36Å; N113-I117 WeakPolarHBondContact O-CD1 3.26Å; N113-I117 WeakPolarHBondContact O-CG1 3.3Å; N113-I117 PolarHBondContact O-N 3.17Å; F114-I117 PolarHBondContact O-N 3.14Å; R115-I117 VanDerWaalsContact C-N 3.3Å; R115-I117 PolarHBondContact O-N 2.87Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.01Å; I117-G120 PolarHBondContact O-N 3.24Å; I117-G120 VanDerWaalsContact O-N 3.11Å; I117-M125 HydrophobicContact CD1-CE 4.48Å; I117-M125 HydrophobicContact CG1-CE 4.21Å; I117-I134 HydrophobicContact CG2-CG1 3.9Å; I117-I134 PolarHBondContact O-N 3.08Å; I117-I134 VanDerWaalsContact O-N 3.09Å |
| 118 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 177.5 | -80.3 | -177.7 | 0 | 0 | 0 | 111.9 | L33 F114 R115 G120 V144 T170 M174 | L33-L118 HydrophobicContact CB-CD2 4.45Å; L33-L118 HydrophobicContact CD2-CD1 4.32Å; L33-L118 HydrophobicContact CD2-CD2 3.62Å; L33-L118 HydrophobicContact CD2-CG 3.59Å; F114-L118 HydrophobicContact CD1-CD1 4.11Å; F114-L118 HydrophobicContact CE1-CD1 3.44Å; F114-L118 VanDerWaalsContact CE1-CD1 3.44Å; F114-L118 HydrophobicContact CE1-CG 4.47Å; F114-L118 HydrophobicContact CE2-CD1 4.14Å; F114-L118 HydrophobicContact CZ-CD1 3.47Å; F114-L118 VanDerWaalsContact CZ-CD1 3.47Å; F114-L118 HydrophobicContact CZ-CG 4.42Å; F114-L118 PolarHBondContact O-N 3.07Å; F114-L118 VanDerWaalsContact O-N 3.07Å; R115-L118 PolarHBondContact O-N 3.27Å; L118-G120 PolarHBondContact O-N 3.25Å; L118-V144 HydrophobicContact CD2-CG2 3.93Å; L118-T170 HydrophobicContact CB-CG2 4.3Å; L118-T170 HydrophobicContact CD1-CG2 4.08Å; L118-M174 HydrophobicContact CB-CE 4.25Å; L118-M174 HydrophobicContact CB-SD 3.68Å; L118-M174 HydrophobicContact CD1-SD 4.14Å; L118-M174 HydrophobicContact CD2-CE 4.16Å; L118-M174 HydrophobicContact CD2-SD 4.09Å; L118-M174 HydrophobicContact CG-SD 4.19Å; L118-M174 WeakPolarHBondContact O-CE 3.3Å |
| 119 | L | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 7.1 | 176.7 | -65 | 178.4 | 0 | 0 | 0 | 113.6 | R115 S116 I117 L121 T170 L173 M174 R179 | R115-L119 HydrophobicContact CG-CD1 3.74Å; R115-L119 HydrophobicContact CG-CG 4.36Å; R115-L119 WeakPolarHBondContact O-CB 3.02Å; R115-L119 WeakPolarHBondContact O-CG 3.46Å; R115-L119 PolarHBondContact O-N 3.34Å; S116-L119 CarbonylContact O-C 3.58Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.01Å; L119-L121 HydrophobicContact CB-CD1 3.88Å; L119-L121 HydrophobicContact CB-CD2 4.41Å; L119-L121 HydrophobicContact CB-CG 3.74Å; L119-L121 HydrophobicContact CD1-CD1 4.14Å; L119-L121 PolarHBondContact O-N 2.9Å; L119-T170 HydrophobicContact CG-CG2 4.39Å; L119-L173 HydrophobicContact CD1-CD1 4.16Å; L119-L173 HydrophobicContact CD2-CB 3.67Å; L119-M174 HydrophobicContact CD2-CG 3.73Å; L119-R179 PolarHBondContact O-NH1 3.24Å |
| 120 | G | 98.4 | Very high | 98.3 | Very high | 14 Ų | 14 | 50.4 Ų | 50.4 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S116 I117 L118 K122 I134 | S116-G120 PolarHBondContact O-N 3.44Å; S116-G120 VanDerWaalsContact O-N 3.11Å; I117-G120 PolarHBondContact O-N 3.24Å; I117-G120 VanDerWaalsContact O-N 3.11Å; L118-G120 PolarHBondContact O-N 3.25Å; G120-K122 VanDerWaalsContact C-N 3.32Å; G120-K122 PolarHBondContact O-N 3Å; G120-I134 WeakPolarHBondContact CA-O 3.48Å |
| 121 | L | 98.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | trans | -83.3 | 71.5 | -172.7 | -60.3 | 178.4 | 0 | 0 | 0 | 111.4 | S116 L119 E123 E124 M125 | S116-L121 PolarHBondContact O-N 2.96Å; L119-L121 HydrophobicContact CB-CD1 3.88Å; L119-L121 HydrophobicContact CB-CD2 4.41Å; L119-L121 HydrophobicContact CB-CG 3.74Å; L119-L121 HydrophobicContact CD1-CD1 4.14Å; L119-L121 PolarHBondContact O-N 2.9Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.16Å; L121-E124 HydrophobicContact CB-CB 4.06Å; L121-E124 HydrophobicContact CB-CG 4.04Å; L121-E124 VanDerWaalsContact CD1-CD 3.47Å; L121-E124 HydrophobicContact CD1-CG 4.42Å; L121-E124 WeakPolarHBondContact CD1-OE1 3.39Å; L121-E124 WeakPolarHBondContact CD1-OE2 3.43Å; L121-E124 PolarHBondContact O-N 3Å; L121-M125 PolarHBondContact O-N 2.96Å | ||
| 122 | K | 97 | Very high | 98.3 | Very high | 103 Ų | 103 | 55 Ų | 55 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -51 | -43.4 | -176 | -66.4 | -178.8 | -177 | 174.7 | 0 | 113.5 | G120 E124 M125 R126 V133 D135 | G120-K122 VanDerWaalsContact C-N 3.32Å; G120-K122 PolarHBondContact O-N 3Å; K122-E124 VanDerWaalsContact C-N 3.34Å; K122-E124 PolarHBondContact O-N 3.12Å; K122-M125 PolarHBondContact O-N 3.37Å; K122-M125 VanDerWaalsContact O-N 3.1Å; K122-R126 PolarHBondContact O-N 3.08Å; K122-V133 HydrophobicContact CD-CG2 4.37Å; K122-V133 HydrophobicContact CG-CG2 3.52Å; K122-D135 WeakPolarHBondContact CE-OD1 3.46Å; K122-D135 IonicContact NZ-OD1 3.94Å; K122-D135 PolarHBondContact NZ-OD1 3.14Å; K122-D135 IonicContact NZ-OD2 2.85Å; K122-D135 PolarHBondContact NZ-OD2 3Å |
| 123 | E | 98 | Very high | 98.3 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 73% | 0.729 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.1 | -34.4 | 179.8 | -64.7 | -56 | 135.5 | 0 | 0 | 113.2 | L121 M125 R126 | L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.16Å; E123-M125 PolarHBondContact O-N 3.24Å; E123-R126 PolarHBondContact O-N 2.97Å |
| 124 | E | 97.7 | Very high | 98.3 | Very high | 91 Ų | 91 | 48 Ų | 48 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.8 | -21.9 | 175.7 | -66.4 | -172.3 | -175.6 | 0 | 0 | 112.4 | S116 L121 K122 I128 | S116-E124 PolarHBondContact OG-OE2 3.32Å; L121-E124 HydrophobicContact CB-CB 4.06Å; L121-E124 HydrophobicContact CB-CG 4.04Å; L121-E124 VanDerWaalsContact CD1-CD 3.47Å; L121-E124 HydrophobicContact CD1-CG 4.42Å; L121-E124 WeakPolarHBondContact CD1-OE1 3.39Å; L121-E124 WeakPolarHBondContact CD1-OE2 3.43Å; L121-E124 PolarHBondContact O-N 3Å; K122-E124 VanDerWaalsContact C-N 3.34Å; K122-E124 PolarHBondContact O-N 3.12Å; E124-I128 WeakPolarHBondContact O-CD1 3.4Å |
| 125 | M | 98.2 | Very high | 98.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -95.3 | -3.2 | -178.4 | -59.6 | -46.4 | -63.1 | 0 | 0 | 113.7 | Y104 N113 S116 I117 L121 K122 E123 G127 I128 V133 | Y104-M125 HydrophobicContact CD1-CE 3.98Å; Y104-M125 HydrophobicContact CE1-CE 3.09Å; Y104-M125 VanDerWaalsContact CZ-CE 3.44Å; Y104-M125 VanDerWaalsContact OH-CE 3.31Å; Y104-M125 WeakPolarHBondContact OH-CE 3.42Å; N113-M125 HydrophobicContact CB-CE 3.83Å; S116-M125 WeakPolarHBondContact CB-SD 3.38Å; I117-M125 HydrophobicContact CD1-CE 4.48Å; I117-M125 HydrophobicContact CG1-CE 4.21Å; L121-M125 PolarHBondContact O-N 2.96Å; K122-M125 PolarHBondContact O-N 3.37Å; K122-M125 VanDerWaalsContact O-N 3.1Å; E123-M125 PolarHBondContact O-N 3.24Å; M125-G127 PolarHBondContact O-N 2.74Å; M125-I128 HydrophobicContact CE-CB 4.14Å; M125-I128 HydrophobicContact CE-CG2 3.81Å; M125-I128 WeakPolarHBondContact O-CB 3.48Å; M125-I128 PolarHBondContact O-N 3.01Å; M125-V133 HydrophobicContact CB-CG1 4.13Å; M125-V133 HydrophobicContact CG-CG1 3.61Å |
| 126 | R | 98.2 | Very high | 98.2 | Very high | 189 Ų | 189 | 48.9 Ų | 48.9 | 71% | 0.713 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 126.5 | 180 | -169.6 | 178 | 179.4 | -159.7 | -0.7 | 111.4 | K122 E123 I128 | K122-R126 PolarHBondContact O-N 3.08Å; E123-R126 PolarHBondContact O-N 2.97Å; R126-I128 PolarHBondContact O-N 3.29Å |
| 127 | G | 98 | Very high | 98.1 | Very high | 64 Ų | 64 | 50 Ų | 50 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 8.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M125 E131 | M125-G127 PolarHBondContact O-N 2.74Å; G127-E131 WeakPolarHBondContact CA-OE1 3.37Å; G127-E131 PolarHBondContact N-OE1 2.83Å |
| 128 | I | 98.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 20% | 0.2 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -113 | 119.5 | 179.6 | -55.7 | -176.4 | 0 | 0 | 0 | 108.8 | Y104 H108 N113 E124 M125 R126 S130 E131 | Y104-I128 HydrophobicContact CD1-CG2 4.14Å; Y104-I128 HydrophobicContact CE1-CG2 4Å; Y104-I128 VanDerWaalsContact CE1-O 3.32Å; Y104-I128 WeakPolarHBondContact CE1-O 3.3Å; H108-I128 HydrophobicContact CB-CG2 4.3Å; H108-I128 WeakPolarHBondContact ND1-CG2 3.32Å; N113-I128 WeakPolarHBondContact ND2-CG2 3.3Å; E124-I128 WeakPolarHBondContact O-CD1 3.4Å; M125-I128 HydrophobicContact CE-CB 4.14Å; M125-I128 HydrophobicContact CE-CG2 3.81Å; M125-I128 WeakPolarHBondContact O-CB 3.48Å; M125-I128 PolarHBondContact O-N 3.01Å; R126-I128 PolarHBondContact O-N 3.29Å; I128-S130 PolarHBondContact O-N 2.72Å; I128-E131 PolarHBondContact O-N 3.23Å |
| 129 | G | 98.2 | Very high | 98 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -135.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D103 E131 | D103-G129 CarbonylContact O-C 3.59Å; D103-G129 WeakPolarHBondContact O-CA 3.16Å; G129-E131 VanDerWaalsContact C-N 3.32Å |
| 130 | S | 98.2 | Very high | 98 | Very high | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.7 | 172.5 | 68.5 | 0 | 0 | 0 | 0 | 114 | D103 I128 K132 | D103-S130 VanDerWaalsContact CA-OG 3.28Å; D103-S130 WeakPolarHBondContact CA-OG 3.39Å; D103-S130 WeakPolarHBondContact CB-OG 2.94Å; D103-S130 VanDerWaalsContact CG-OG 3.29Å; D103-S130 PolarHBondContact O-N 3.26Å; D103-S130 WeakPolarHBondContact OD1-CB 3.19Å; D103-S130 PolarHBondContact OD1-OG 3.3Å; I128-S130 PolarHBondContact O-N 2.72Å; S130-K132 PolarHBondContact O-N 3.2Å; S130-K132 VanDerWaalsContact OG-CB 3.29Å; S130-K132 WeakPolarHBondContact OG-CB 3.37Å; S130-K132 PolarHBondContact OG-N 2.96Å |
| 131 | E | 98.5 | Very high | 98 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | trans | 63 | 0.8 | -172.5 | -43.8 | -176.6 | 159.6 | 0 | 0 | 114.5 | G127 I128 G129 V133 | G127-E131 WeakPolarHBondContact CA-OE1 3.37Å; G127-E131 PolarHBondContact N-OE1 2.83Å; I128-E131 PolarHBondContact O-N 3.23Å; G129-E131 VanDerWaalsContact C-N 3.32Å; E131-V133 PolarHBondContact O-N 2.87Å | ||
| 132 | K | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 19% | 0.187 | 32% | 0.319 | C | S | . | . | trans | -66.6 | 131.7 | -179.8 | -167.5 | -167.1 | -66.3 | 166.4 | 0 | 110.4 | D64 I67 V68 D103 Y104 S130 | D64-K132 PolarHBondContact O-NZ 3.06Å; I67-K132 PolarHBondContact O-NZ 2.99Å; V68-K132 HydrophobicContact CB-CD 4.48Å; V68-K132 HydrophobicContact CG2-CB 4.48Å; V68-K132 HydrophobicContact CG2-CD 3.69Å; V68-K132 HydrophobicContact CG2-CG 3.88Å; D103-K132 VanDerWaalsContact CG-NZ 3.33Å; D103-K132 WeakPolarHBondContact OD1-CE 3.35Å; D103-K132 IonicContact OD1-NZ 3.6Å; D103-K132 PolarHBondContact OD1-NZ 3.42Å; D103-K132 IonicContact OD2-NZ 2.85Å; D103-K132 PolarHBondContact OD2-NZ 2.73Å; Y104-K132 VanDerWaalsContact CE2-O 3.24Å; Y104-K132 WeakPolarHBondContact CE2-O 3.48Å; Y104-K132 PolarHBondContact OH-N 3.43Å; Y104-K132 PolarHBondContact OH-O 2.63Å; S130-K132 PolarHBondContact O-N 3.2Å; S130-K132 VanDerWaalsContact OG-CB 3.29Å; S130-K132 WeakPolarHBondContact OG-CB 3.37Å; S130-K132 PolarHBondContact OG-N 2.96Å | ||
| 133 | V | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | trans | -125.4 | 167.1 | 173.9 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | K122 M125 E131 D135 | K122-V133 HydrophobicContact CD-CG2 4.37Å; K122-V133 HydrophobicContact CG-CG2 3.52Å; M125-V133 HydrophobicContact CB-CG1 4.13Å; M125-V133 HydrophobicContact CG-CG1 3.61Å; E131-V133 PolarHBondContact O-N 2.87Å; V133-D135 PolarHBondContact O-N 2.99Å | ||
| 134 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -74.1 | 110.9 | 166.9 | -54.8 | -62.2 | 0 | 0 | 0 | 106.8 | W31 A32 L33 V68 I117 G120 S136 I142 R179 | W31-I134 HydrophobicContact CB-CD1 4.27Å; W31-I134 HydrophobicContact CB-CG2 3.87Å; W31-I134 HydrophobicContact CD2-CG2 4.08Å; W31-I134 HydrophobicContact CE3-CD1 4.28Å; W31-I134 HydrophobicContact CE3-CG2 4.16Å; W31-I134 HydrophobicContact CG-CG2 3.98Å; A32-I134 WeakPolarHBondContact O-CD1 3.37Å; L33-I134 HydrophobicContact CB-CD1 4.3Å; L33-I134 HydrophobicContact CB-CG1 4.48Å; V68-I134 HydrophobicContact CB-CD1 4.26Å; V68-I134 HydrophobicContact CG2-CD1 3.66Å; V68-I134 HydrophobicContact CG2-CG1 4.37Å; I117-I134 HydrophobicContact CG2-CG1 3.9Å; I117-I134 PolarHBondContact O-N 3.08Å; I117-I134 VanDerWaalsContact O-N 3.09Å; G120-I134 WeakPolarHBondContact CA-O 3.48Å; I134-S136 WeakPolarHBondContact CG2-OG 3.19Å; I134-I142 HydrophobicContact CG2-CD1 3.95Å; I134-I142 HydrophobicContact CG2-CG1 4.26Å; I134-R179 PolarHBondContact O-NH2 2.89Å | ||
| 135 | D | 97.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 41.9 Ų | 41.9 | 44% | 0.439 | 24% | 0.244 | S | C | . | . | trans | -104.5 | 50 | -177.4 | -163.6 | 36.9 | 0 | 0 | 0 | 110.9 | W31 K122 V133 | W31-D135 HydrophobicContact CH2-CB 3.63Å; W31-D135 VanDerWaalsContact CZ2-C 3.48Å; W31-D135 HydrophobicContact CZ2-CB 4.09Å; W31-D135 WeakPolarHBondContact CZ2-O 3.34Å; W31-D135 HydrophobicContact CZ3-CB 4.25Å; K122-D135 WeakPolarHBondContact CE-OD1 3.46Å; K122-D135 IonicContact NZ-OD1 3.94Å; K122-D135 PolarHBondContact NZ-OD1 3.14Å; K122-D135 IonicContact NZ-OD2 2.85Å; K122-D135 PolarHBondContact NZ-OD2 3Å; V133-D135 PolarHBondContact O-N 2.99Å | ||
| 136 | S | 97.9 | Very high | 98.3 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | trans | -88.5 | 149.5 | -172.5 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | I134 D140 I142 R179 | I134-S136 WeakPolarHBondContact CG2-OG 3.19Å; S136-D140 VanDerWaalsContact CA-OD2 3.29Å; S136-D140 WeakPolarHBondContact CA-OD2 3.26Å; S136-I142 WeakPolarHBondContact OG-CD1 3.32Å; S136-R179 CarbonylContact C-O 3.39Å; S136-R179 WeakPolarHBondContact CB-O 3.24Å; S136-R179 PolarHBondContact O-NE 2.94Å; S136-R179 PolarHBondContact OG-O 3.37Å | ||
| 137 | G | 96.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 33.1 Ų | 33.1 | 24% | 0.237 | 21% | 0.21 | C | C | . | . | trans | -109.5 | -174.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N139 D140 N178 R179 Y180 | G137-N139 PolarHBondContact O-N 3.22Å; G137-N139 VanDerWaalsContact O-N 3.12Å; G137-D140 PolarHBondContact N-OD2 3.02Å; G137-D140 PolarHBondContact O-N 3.33Å; G137-D140 VanDerWaalsContact O-N 3.12Å; G137-N178 CarbonylContact C-O 3.52Å; G137-R179 CarbonylContact O-C 3.5Å; G137-Y180 WeakPolarHBondContact O-CA 2.99Å; G137-Y180 PolarHBondContact O-N 3.37Å | ||
| 138 | P | 97.1 | Very high | 98.3 | Very high | 76 Ų | 76 | 30 Ų | 30 | 49% | 0.494 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.8 | -174 | 22.9 | -34.2 | 0 | 0 | 0 | 115.6 | N178 Y180 G181 | P138-N178 VanDerWaalsContact CA-O 3.31Å; P138-N178 WeakPolarHBondContact CA-O 3.44Å; P138-N178 HydrophobicContact CB-CB 4.2Å; P138-N178 VanDerWaalsContact N-O 3.16Å; P138-Y180 CarbonylContact O-C 3.58Å; P138-G181 WeakPolarHBondContact O-CA 3.47Å; P138-G181 PolarHBondContact O-N 3.49Å; P138-G181 VanDerWaalsContact O-N 3.1Å |
| 139 | N | 96.8 | Very high | 98.3 | Very high | 120 Ų | 120 | 28.5 Ų | 28.5 | 64% | 0.642 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -4.9 | 179.2 | -62.2 | -24.5 | 0 | 0 | 0 | 112.1 | P28 G137 | P28-N139 WeakPolarHBondContact CB-O 3.5Å; G137-N139 PolarHBondContact O-N 3.22Å; G137-N139 VanDerWaalsContact O-N 3.12Å |
| 140 | D | 98.3 | Very high | 98.3 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | trans | -85.4 | 152.3 | -170.9 | -70.7 | -11.2 | 0 | 0 | 0 | 111.8 | K29 W31 S136 G137 Y180 G181 K182 | K29-D140 HydrophobicContact CB-CB 4.45Å; K29-D140 WeakPolarHBondContact CB-OD1 3.47Å; K29-D140 PolarHBondContact N-OD1 3.42Å; K29-D140 VanDerWaalsContact N-OD1 3.12Å; K29-D140 WeakPolarHBondContact O-CA 3.47Å; K29-D140 VanDerWaalsContact O-CB 3.31Å; K29-D140 WeakPolarHBondContact O-CB 3.41Å; W31-D140 PolarHBondContact NE1-OD2 3.17Å; S136-D140 VanDerWaalsContact CA-OD2 3.29Å; S136-D140 WeakPolarHBondContact CA-OD2 3.26Å; G137-D140 PolarHBondContact N-OD2 3.02Å; G137-D140 PolarHBondContact O-N 3.33Å; G137-D140 VanDerWaalsContact O-N 3.12Å; D140-Y180 CarbonylContact O-C 3.47Å; D140-Y180 WeakPolarHBondContact O-CA 3.21Å; D140-G181 PolarHBondContact O-N 3.09Å; D140-K182 PolarHBondContact O-N 3.07Å | ||
| 141 | H | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.069 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135 | 175.8 | -66.1 | 174.3 | 0 | 0 | 0 | 110.3 | K29 L30 W31 K182 E284 F285 | K29-H141 PolarHBondContact O-N 2.98Å; L30-H141 HydrophobicContact CD2-CB 3.89Å; W31-H141 PolarHBondContact N-O 2.59Å; H141-K182 WeakPolarHBondContact CA-O 3.31Å; H141-E284 WeakPolarHBondContact CB-O 3.32Å; H141-E284 IonicContact CE1-OE2 2.98Å; H141-E284 PolarHBondContact CE1-OE2 3.08Å; H141-E284 VanDerWaalsContact CE1-OE2 3.23Å; H141-E284 PolarHBondContact ND1-O 2.82Å; H141-E284 IonicContact ND1-OE2 3.85Å; H141-F285 HydrophobicContact CB-CD1 3.99Å; H141-F285 HydrophobicContact CB-CE1 3.9Å |
| 142 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125 | -179.6 | -55.1 | 176.8 | 0 | 0 | 0 | 109.5 | W31 I134 S136 V144 M174 K182 M183 L184 | W31-I142 HydrophobicContact CB-CG1 4.32Å; W31-I142 CarbonylContact O-C 3.6Å; W31-I142 WeakPolarHBondContact O-CA 3.45Å; I134-I142 HydrophobicContact CG2-CD1 3.95Å; I134-I142 HydrophobicContact CG2-CG1 4.26Å; S136-I142 WeakPolarHBondContact OG-CD1 3.32Å; I142-V144 HydrophobicContact CG2-CG2 3.95Å; I142-M174 HydrophobicContact CD1-CE 3.51Å; I142-K182 PolarHBondContact N-O 3.32Å; I142-M183 HydrophobicContact CB-CE 4.38Å; I142-M183 HydrophobicContact CB-CG 4.2Å; I142-M183 HydrophobicContact CD1-CE 4.03Å; I142-M183 HydrophobicContact CG2-CG 4.49Å; I142-M183 CarbonylContact O-C 3.59Å; I142-M183 VanDerWaalsContact O-CA 3.3Å; I142-M183 WeakPolarHBondContact O-CA 3.31Å; I142-L184 PolarHBondContact O-N 3.49Å |
| 143 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.8 | 166 | 177.1 | -130 | 0 | 0 | 0 | 110.7 | W31 A32 L33 L34 L57 N145 L184 Y186 W239 F285 F286 | W31-F143 PolarHBondContact O-N 3.5Å; A32-F143 CarbonylContact C-O 3.37Å; A32-F143 WeakPolarHBondContact CA-O 3.31Å; A32-F143 HydrophobicContact CB-CB 4.38Å; A32-F143 HydrophobicContact CB-CD1 4.4Å; L33-F143 PolarHBondContact N-O 2.98Å; L34-F143 HydrophobicContact CD2-CD1 4.2Å; L34-F143 HydrophobicContact CD2-CE1 4.03Å; L57-F143 HydrophobicContact CD1-CD1 4.14Å; L57-F143 HydrophobicContact CD2-CD1 4.1Å; L57-F143 HydrophobicContact CD2-CE1 4.48Å; F143-N145 HydrophobicContact CE1-CB 3.84Å; F143-N145 HydrophobicContact CE2-CB 4.32Å; F143-N145 HydrophobicContact CZ-CB 3.65Å; F143-L184 CarbonylContact C-O 3.58Å; F143-L184 WeakPolarHBondContact CA-O 3.35Å; F143-L184 HydrophobicContact CD2-CB 4.09Å; F143-L184 HydrophobicContact CD2-CD2 3.9Å; F143-L184 HydrophobicContact CD2-CG 3.82Å; F143-L184 WeakPolarHBondContact CD2-O 3.47Å; F143-L184 HydrophobicContact CE2-CD2 4.22Å; F143-L184 HydrophobicContact CE2-CG 4.19Å; F143-Y186 HydrophobicContact CE2-CD1 4.07Å; F143-Y186 AromaticContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CE2 4.43Å; F143-Y186 AromaticContact CE2-CG 3.71Å; F143-Y186 HydrophobicContact CE2-CG 3.71Å; F143-Y186 AromaticContact CZ-CD2 4Å; F143-Y186 HydrophobicContact CZ-CD2 4Å; F143-Y186 HydrophobicContact CZ-CG 4.17Å; F143-W239 HydrophobicContact CE1-CH2 4.25Å; F143-W239 HydrophobicContact CZ-CH2 4.06Å; F143-W239 HydrophobicContact CZ-CZ2 4.37Å; F143-F285 HydrophobicContact CB-CB 4.4Å; F143-F286 HydrophobicContact CD1-CD1 4.15Å; F143-F286 AromaticContact CD1-CE1 3.7Å; F143-F286 HydrophobicContact CD1-CE1 3.7Å; F143-F286 AromaticContact CD2-CE1 3.77Å; F143-F286 HydrophobicContact CD2-CE1 3.77Å; F143-F286 HydrophobicContact CE1-CD1 4.31Å; F143-F286 AromaticContact CE1-CE1 3.59Å; F143-F286 HydrophobicContact CE1-CE1 3.59Å; F143-F286 HydrophobicContact CE1-CZ 4.21Å; F143-F286 AromaticContact CE2-CE1 3.66Å; F143-F286 HydrophobicContact CE2-CE1 3.66Å; F143-F286 HydrophobicContact CE2-CZ 4.06Å; F143-F286 HydrophobicContact CG-CD1 4.33Å; F143-F286 AromaticContact CG-CE1 3.78Å; F143-F286 HydrophobicContact CG-CE1 3.78Å; F143-F286 AromaticContact CZ-CE1 3.54Å; F143-F286 HydrophobicContact CZ-CE1 3.54Å; F143-F286 AromaticContact CZ-CZ 3.84Å; F143-F286 HydrophobicContact CZ-CZ 3.84Å |
| 144 | V | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.1 | 172.9 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | L33 F114 L118 I142 M183 L184 I185 Y186 | L33-V144 HydrophobicContact CB-CG2 4.48Å; L33-V144 WeakPolarHBondContact O-CA 3.22Å; F114-V144 HydrophobicContact CE2-CG1 4.13Å; F114-V144 HydrophobicContact CZ-CG1 4.31Å; L118-V144 HydrophobicContact CD2-CG2 3.93Å; I142-V144 HydrophobicContact CG2-CG2 3.95Å; V144-M183 HydrophobicContact CG2-SD 4.4Å; V144-L184 PolarHBondContact N-O 2.95Å; V144-I185 HydrophobicContact CB-CG1 4.3Å; V144-I185 HydrophobicContact CB-CG2 4.26Å; V144-I185 HydrophobicContact CG1-CG2 4.46Å; V144-I185 CarbonylContact O-C 3.51Å; V144-I185 WeakPolarHBondContact O-CA 3.28Å; V144-Y186 PolarHBondContact O-N 3.35Å |
| 145 | N | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.2 | 171.4 | -180 | -144.7 | 0 | 0 | 0 | 110.1 | L33 L34 V35 I50 F143 Y186 | L33-N145 PolarHBondContact O-N 3.29Å; L34-N145 CarbonylContact C-O 3.6Å; L34-N145 WeakPolarHBondContact CA-O 3.39Å; L34-N145 HydrophobicContact CD2-CB 3.8Å; V35-N145 PolarHBondContact N-O 3.2Å; I50-N145 WeakPolarHBondContact CD1-OD1 3.28Å; F143-N145 HydrophobicContact CE1-CB 3.84Å; F143-N145 HydrophobicContact CE2-CB 4.32Å; F143-N145 HydrophobicContact CZ-CB 3.65Å; N145-Y186 WeakPolarHBondContact CA-O 3.13Å; N145-Y186 PolarHBondContact ND2-O 3.44Å |
| 146 | F | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.5 | 175.6 | -179.8 | -79.2 | 0 | 0 | 0 | 109.8 | V35 D148 L155 S156 F157 Y186 V187 E188 | V35-F146 HydrophobicContact CB-CD2 3.9Å; V35-F146 HydrophobicContact CG1-CD2 3.74Å; V35-F146 HydrophobicContact CG1-CE2 3.92Å; F146-D148 HydrophobicContact CE1-CB 3.73Å; F146-D148 HydrophobicContact CZ-CB 3.84Å; F146-L155 HydrophobicContact CD1-CD1 4.03Å; F146-L155 HydrophobicContact CD1-CD2 3.95Å; F146-L155 HydrophobicContact CD1-CG 4.39Å; F146-L155 HydrophobicContact CD2-CD1 4.29Å; F146-L155 HydrophobicContact CE1-CB 3.91Å; F146-L155 HydrophobicContact CE1-CD1 4.22Å; F146-L155 HydrophobicContact CE1-CD2 3.75Å; F146-L155 HydrophobicContact CE1-CG 4.15Å; F146-L155 HydrophobicContact CE2-CB 4.17Å; F146-L155 HydrophobicContact CE2-CD1 4.45Å; F146-L155 HydrophobicContact CG-CD1 4.08Å; F146-L155 HydrophobicContact CZ-CB 3.69Å; F146-L155 HydrophobicContact CZ-CD1 4.41Å; F146-L155 HydrophobicContact CZ-CD2 4.42Å; F146-L155 HydrophobicContact CZ-CG 4.38Å; F146-S156 WeakPolarHBondContact CZ-O 3.35Å; F146-F157 HydrophobicContact CE2-CD2 4.24Å; F146-F157 AromaticContact CE2-CE2 3.7Å; F146-F157 HydrophobicContact CE2-CE2 3.7Å; F146-F157 HydrophobicContact CE2-CZ 4.06Å; F146-Y186 PolarHBondContact N-O 2.84Å; F146-V187 HydrophobicContact CD1-CG1 4.16Å; F146-V187 WeakPolarHBondContact O-CA 3.45Å; F146-E188 PolarHBondContact O-N 2.74Å |
| 147 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 111.8 | -178.5 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | V35 A36 G37 H46 D49 I50 E188 | V35-V147 PolarHBondContact O-N 3.06Å; A36-V147 WeakPolarHBondContact CA-O 3.46Å; G37-V147 PolarHBondContact N-O 3.43Å; H46-V147 HydrophobicContact CB-CG1 3.85Å; D49-V147 HydrophobicContact CB-CB 4.48Å; D49-V147 HydrophobicContact CB-CG1 3.92Å; D49-V147 HydrophobicContact CB-CG2 4.16Å; D49-V147 WeakPolarHBondContact OD2-CG1 3.4Å; I50-V147 HydrophobicContact CD1-CB 4.14Å; I50-V147 HydrophobicContact CD1-CG2 3.66Å; I50-V147 HydrophobicContact CG1-CB 4.18Å; I50-V147 HydrophobicContact CG1-CG2 4.15Å; V147-E188 WeakPolarHBondContact CA-O 3.42Å; V147-E188 HydrophobicContact CB-CB 4.27Å; V147-E188 HydrophobicContact CG1-CB 3.98Å; V147-E188 HydrophobicContact CG1-CG 3.89Å; V147-E188 HydrophobicContact CG2-CB 4.08Å |
| 148 | D | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -169.2 | -159.3 | 170.4 | -161.3 | 14.1 | 0 | 0 | 0 | 114 | G37 S38 H46 F146 S156 E188 A189 | G37-D148 WeakPolarHBondContact CA-OD2 3.27Å; S38-D148 VanDerWaalsContact CB-CG 3.46Å; S38-D148 WeakPolarHBondContact CB-OD1 3.28Å; S38-D148 WeakPolarHBondContact CB-OD2 3.48Å; S38-D148 PolarHBondContact N-OD2 2.92Å; S38-D148 PolarHBondContact OG-OD1 3.31Å; H46-D148 IonicContact CE1-OD1 3.95Å; H46-D148 PolarHBondContact CE1-OD1 3.1Å; H46-D148 IonicContact CG-OD1 3.97Å; H46-D148 IonicContact ND1-OD1 3.27Å; H46-D148 PolarHBondContact ND1-OD1 3.27Å; H46-D148 IonicContact NE2-OD1 2.65Å; F146-D148 HydrophobicContact CE1-CB 3.73Å; F146-D148 HydrophobicContact CZ-CB 3.84Å; D148-S156 WeakPolarHBondContact OD2-CB 3.44Å; D148-S156 PolarHBondContact OD2-OG 3.34Å; D148-E188 PolarHBondContact N-O 3.04Å; D148-E188 VanDerWaalsContact O-O 3.09Å; D148-A189 VanDerWaalsContact O-CA 3.3Å; D148-A189 WeakPolarHBondContact O-CA 3.38Å |
| 149 | H | 98 | Very high | 97.9 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.032 | 6% | 0.063 | C | C | . | . | trans | -65.8 | 157.4 | 155.1 | -60.5 | -76.4 | 0 | 0 | 0 | 112.7 | N43 R45 H46 S156 S311 P401 M404 | N43-H149 PolarHBondContact OD1-NE2 2.97Å; R45-H149 PolarHBondContact NH2-CE1 2.92Å; R45-H149 VanDerWaalsContact NH2-CE1 3.3Å; H46-H149 AromaticContact CE1-CD2 3.8Å; H46-H149 AromaticContact CE1-NE2 3.68Å; H149-S156 VanDerWaalsContact O-CB 3.3Å; H149-S156 WeakPolarHBondContact O-CB 3.29Å; H149-S156 PolarHBondContact O-N 3.34Å; H149-S311 PolarHBondContact CE1-OG 3.47Å; H149-S311 PolarHBondContact ND1-OG 2.9Å; H149-P401 HydrophobicContact CB-CB 4.21Å; H149-M404 HydrophobicContact CB-SD 4.4Å | ||
| 150 | G | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 8 Ų | 8 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | I154 C190 | G150-I154 VanDerWaalsContact CA-O 3.3Å; G150-I154 WeakPolarHBondContact CA-O 3.36Å; G150-C190 CarbonylContact C-O 3.59Å; G150-C190 VanDerWaalsContact C-O 3.24Å; G150-C190 WeakPolarHBondContact CA-O 3.37Å; G150-C190 WeakPolarHBondContact O-CB 3.47Å |
| 151 | A | 96.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 176 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G153 I154 C190 S194 M404 A407 | A151-G153 PolarHBondContact O-N 3.27Å; A151-I154 HydrophobicContact CB-CB 3.8Å; A151-I154 HydrophobicContact CB-CD1 4.02Å; A151-I154 HydrophobicContact CB-CG1 4.18Å; A151-I154 PolarHBondContact N-O 3.29Å; A151-I154 PolarHBondContact O-N 3.2Å; A151-C190 PolarHBondContact N-O 3.27Å; A151-S194 PolarHBondContact O-OG 3.38Å; A151-M404 HydrophobicContact CB-CB 3.7Å; A151-M404 HydrophobicContact CB-CG 4.2Å; A151-M404 WeakPolarHBondContact CB-O 3.47Å; A151-M404 HydrophobicContact CB-SD 4.37Å; A151-A407 HydrophobicContact CB-CB 3.67Å |
| 152 | H | 96.1 | Very high | 97.8 | Very high | 14 Ų | 14 | 6.9 Ų | 6.9 | 7% | 0.065 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 107.9 | 173.9 | -154.1 | 110.3 | 0 | 0 | 0 | 110.5 | S194 G214 M377 H383 V411 | H152-S194 WeakPolarHBondContact CA-OG 3.38Å; H152-G214 PolarHBondContact CE1-O 2.93Å; H152-G214 PolarHBondContact ND1-O 3.01Å; H152-M377 VanDerWaalsContact CD2-SD 3.57Å; H152-H383 PolarHBondContact O-NE2 2.8Å; H152-V411 HydrophobicContact CB-CG2 4.32Å |
| 153 | G | 97.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 19 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A151 T163 V164 S194 H383 | A151-G153 PolarHBondContact O-N 3.27Å; G153-T163 CarbonylContact O-C 3.53Å; G153-T163 WeakPolarHBondContact O-CA 3.19Å; G153-V164 PolarHBondContact O-N 3.01Å; G153-S194 PolarHBondContact N-OG 2.79Å; G153-H383 PolarHBondContact O-CE1 2.85Å; G153-H383 VanDerWaalsContact O-CE1 3.26Å |
| 154 | I | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.8 | -175.9 | -53.4 | 177.4 | 0 | 0 | 0 | 111.9 | G150 A151 E161 M162 M195 V387 F397 M404 A407 | G150-I154 VanDerWaalsContact CA-O 3.3Å; G150-I154 WeakPolarHBondContact CA-O 3.36Å; A151-I154 HydrophobicContact CB-CB 3.8Å; A151-I154 HydrophobicContact CB-CD1 4.02Å; A151-I154 HydrophobicContact CB-CG1 4.18Å; A151-I154 PolarHBondContact N-O 3.29Å; A151-I154 PolarHBondContact O-N 3.2Å; I154-E161 HydrophobicContact CG2-CB 3.6Å; I154-E161 HydrophobicContact CG2-CG 4.04Å; I154-M162 WeakPolarHBondContact CA-O 2.92Å; I154-M195 PolarHBondContact N-SD 3.21Å; I154-M195 VanDerWaalsContact N-SD 3.38Å; I154-V387 HydrophobicContact CD1-CB 4.31Å; I154-V387 HydrophobicContact CD1-CG1 3.68Å; I154-V387 HydrophobicContact CD1-CG2 3.57Å; I154-V387 HydrophobicContact CG1-CG1 4.23Å; I154-V387 HydrophobicContact CG1-CG2 4.13Å; I154-F397 HydrophobicContact CD1-CD2 4.27Å; I154-F397 HydrophobicContact CD1-CE2 4.06Å; I154-M404 HydrophobicContact CG2-CE 3.78Å; I154-A407 HydrophobicContact CD1-CB 3.61Å |
| 155 | L | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 7.5 Ų | 7.5 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.2 | 162.4 | -65.5 | 179.6 | 0 | 0 | 0 | 110.5 | F146 E161 M162 V187 A189 M195 | F146-L155 HydrophobicContact CD1-CD1 4.03Å; F146-L155 HydrophobicContact CD1-CD2 3.95Å; F146-L155 HydrophobicContact CD1-CG 4.39Å; F146-L155 HydrophobicContact CD2-CD1 4.29Å; F146-L155 HydrophobicContact CE1-CB 3.91Å; F146-L155 HydrophobicContact CE1-CD1 4.22Å; F146-L155 HydrophobicContact CE1-CD2 3.75Å; F146-L155 HydrophobicContact CE1-CG 4.15Å; F146-L155 HydrophobicContact CE2-CB 4.17Å; F146-L155 HydrophobicContact CE2-CD1 4.45Å; F146-L155 HydrophobicContact CG-CD1 4.08Å; F146-L155 HydrophobicContact CZ-CB 3.69Å; F146-L155 HydrophobicContact CZ-CD1 4.41Å; F146-L155 HydrophobicContact CZ-CD2 4.42Å; F146-L155 HydrophobicContact CZ-CG 4.38Å; L155-E161 CarbonylContact O-C 3.54Å; L155-E161 WeakPolarHBondContact O-CA 3.41Å; L155-M162 PolarHBondContact N-O 3.29Å; L155-M162 PolarHBondContact O-N 2.92Å; L155-V187 HydrophobicContact CD2-CG1 3.77Å; L155-A189 HydrophobicContact CD2-CB 3.84Å; L155-M195 HydrophobicContact CD1-CE 4.05Å; L155-M195 HydrophobicContact CD1-CG 4.4Å; L155-M195 HydrophobicContact CD2-CG 3.96Å; L155-M195 HydrophobicContact CD2-SD 4.43Å; L155-M195 HydrophobicContact CG-CE 3.81Å; L155-M195 HydrophobicContact CG-CG 3.96Å; L155-M195 HydrophobicContact CG-SD 3.97Å |
| 156 | S | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140 | -176.9 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | G37 F146 D148 H149 M404 | G37-S156 WeakPolarHBondContact CA-O 3.37Å; F146-S156 WeakPolarHBondContact CZ-O 3.35Å; D148-S156 WeakPolarHBondContact OD2-CB 3.44Å; D148-S156 PolarHBondContact OD2-OG 3.34Å; H149-S156 VanDerWaalsContact O-CB 3.3Å; H149-S156 WeakPolarHBondContact O-CB 3.29Å; H149-S156 PolarHBondContact O-N 3.34Å; S156-M404 VanDerWaalsContact CB-CE 3.44Å |
| 157 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 162.8 | 164.7 | -85.6 | -107 | 0 | 0 | 0 | 108.5 | V35 G37 M70 V109 T110 P111 F114 F146 T159 T160 M162 G398 | V35-F157 HydrophobicContact CG1-CE1 4.08Å; V35-F157 HydrophobicContact CG1-CZ 4.13Å; G37-F157 CarbonylContact O-C 3.35Å; G37-F157 WeakPolarHBondContact O-CA 3.4Å; M70-F157 HydrophobicContact CE-CE1 4.36Å; V109-F157 HydrophobicContact CG1-CD1 3.97Å; V109-F157 HydrophobicContact CG1-CE1 4.29Å; T110-F157 VanDerWaalsContact CA-CD1 3.48Å; T110-F157 WeakPolarHBondContact O-CE1 3.5Å; P111-F157 HydrophobicContact CB-CD2 4.47Å; P111-F157 HydrophobicContact CB-CE2 4.42Å; P111-F157 HydrophobicContact CG-CB 4.13Å; P111-F157 HydrophobicContact CG-CD1 4.32Å; P111-F157 HydrophobicContact CG-CD2 3.65Å; P111-F157 HydrophobicContact CG-CE2 4.06Å; P111-F157 HydrophobicContact CG-CG 3.78Å; F114-F157 HydrophobicContact CB-CE1 4.13Å; F114-F157 HydrophobicContact CB-CZ 3.78Å; F114-F157 HydrophobicContact CD2-CZ 4.26Å; F114-F157 HydrophobicContact CG-CZ 4.05Å; F146-F157 HydrophobicContact CE2-CD2 4.24Å; F146-F157 AromaticContact CE2-CE2 3.7Å; F146-F157 HydrophobicContact CE2-CE2 3.7Å; F146-F157 HydrophobicContact CE2-CZ 4.06Å; F157-T159 PolarHBondContact O-N 2.97Å; F157-T160 CarbonylContact C-O 3.15Å; F157-T160 WeakPolarHBondContact CA-O 3.4Å; F157-T160 PolarHBondContact N-O 2.88Å; F157-T160 PolarHBondContact O-N 3.43Å; F157-M162 HydrophobicContact CD2-CB 4.36Å; F157-M162 HydrophobicContact CE2-CB 4.07Å; F157-G398 WeakPolarHBondContact O-CA 3.41Å |
| 158 | P | 97 | Very high | 97.6 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.8 | -165.5 | -28.7 | 37.1 | 0 | 0 | 0 | 114.8 | G37 N39 Y72 V109 | G37-P158 WeakPolarHBondContact O-CA 3.2Å; G37-P158 WeakPolarHBondContact O-CD 3.32Å; G37-P158 WeakPolarHBondContact O-CG 3.41Å; N39-P158 HydrophobicContact CB-CB 4.43Å; Y72-P158 HydrophobicContact CD2-CB 3.55Å; Y72-P158 HydrophobicContact CD2-CG 3.78Å; Y72-P158 HydrophobicContact CE2-CB 3.9Å; V109-P158 HydrophobicContact CB-CG 4.01Å; V109-P158 HydrophobicContact CG1-CG 3.85Å; V109-P158 WeakPolarHBondContact O-CD 2.99Å |
| 159 | T | 94.5 | Very high | 97.5 | Very high | 48 Ų | 48 | 16.2 Ų | 16.2 | 29% | 0.294 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 4.1 | 178.9 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | F157 N396 | F157-T159 PolarHBondContact O-N 2.97Å; T159-N396 PolarHBondContact O-ND2 3.12Å; T159-N396 PolarHBondContact O-OD1 3.35Å |
| 160 | T | 95.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 15.9 Ų | 15.9 | 29% | 0.294 | 9% | 0.087 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | -166.1 | -174.3 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | P111 F157 | P111-T160 WeakPolarHBondContact CD-OG1 3.46Å; P111-T160 WeakPolarHBondContact CG-OG1 3.03Å; F157-T160 CarbonylContact C-O 3.15Å; F157-T160 WeakPolarHBondContact CA-O 3.4Å; F157-T160 PolarHBondContact N-O 2.88Å; F157-T160 PolarHBondContact O-N 3.43Å |
| 161 | E | 98 | Very high | 97.6 | Very high | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.023 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 156 | 178.1 | 60.7 | -78.6 | 177.4 | 0 | 0 | 110.4 | P111 I154 L155 V387 H388 S391 F397 M404 | P111-E161 WeakPolarHBondContact CG-O 3.49Å; I154-E161 HydrophobicContact CG2-CB 3.6Å; I154-E161 HydrophobicContact CG2-CG 4.04Å; L155-E161 CarbonylContact O-C 3.54Å; L155-E161 WeakPolarHBondContact O-CA 3.41Å; E161-V387 HydrophobicContact CG-CG1 3.72Å; E161-H388 IonicContact OE1-ND1 3.06Å; E161-S391 WeakPolarHBondContact OE1-CB 3.5Å; E161-S391 PolarHBondContact OE1-OG 2.74Å; E161-S391 PolarHBondContact OE2-OG 2.84Å; E161-F397 HydrophobicContact CG-CD2 4.39Å; E161-M404 HydrophobicContact CB-CE 4.25Å |
| 162 | M | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.015 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.5 | 169.6 | 174.8 | 168.7 | -78.2 | 0 | 0 | 108.7 | P111 F114 I154 L155 F157 E166 L167 | P111-M162 HydrophobicContact CB-CB 4.02Å; P111-M162 HydrophobicContact CB-CE 3.79Å; P111-M162 HydrophobicContact CG-CB 4.18Å; F114-M162 HydrophobicContact CD1-CE 3.33Å; F114-M162 HydrophobicContact CD1-SD 3.94Å; F114-M162 HydrophobicContact CE1-CE 3.81Å; F114-M162 HydrophobicContact CE1-SD 3.81Å; F114-M162 HydrophobicContact CG-CE 4.25Å; I154-M162 WeakPolarHBondContact CA-O 2.92Å; L155-M162 PolarHBondContact N-O 3.29Å; L155-M162 PolarHBondContact O-N 2.92Å; F157-M162 HydrophobicContact CD2-CB 4.36Å; F157-M162 HydrophobicContact CE2-CB 4.07Å; M162-E166 WeakPolarHBondContact CA-OE2 3.41Å; M162-E166 HydrophobicContact CG-CB 4.24Å; M162-L167 HydrophobicContact CG-CB 4.37Å; M162-L167 HydrophobicContact SD-CB 3.93Å; M162-L167 HydrophobicContact SD-CD1 4.17Å |
| 163 | T | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 160.2 | 174.9 | 78 | 0 | 0 | 0 | 0 | 111.2 | G153 G165 E166 L167 T384 V387 | G153-T163 CarbonylContact O-C 3.53Å; G153-T163 WeakPolarHBondContact O-CA 3.19Å; T163-G165 PolarHBondContact O-N 2.86Å; T163-G165 PolarHBondContact OG1-N 3.33Å; T163-E166 PolarHBondContact N-OE2 3.2Å; T163-E166 PolarHBondContact O-N 2.83Å; T163-E166 WeakPolarHBondContact OG1-CG 3.45Å; T163-E166 PolarHBondContact OG1-N 3.38Å; T163-L167 PolarHBondContact O-N 3.26Å; T163-T384 HydrophobicContact CG2-CG2 4.11Å; T163-T384 PolarHBondContact OG1-OG1 2.83Å; T163-V387 HydrophobicContact CG2-CB 4.21Å; T163-V387 HydrophobicContact CG2-CG1 3.96Å |
| 164 | V | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -32.1 | 173.5 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | G153 N168 M195 T199 M377 L380 | G153-V164 PolarHBondContact O-N 3.01Å; V164-N168 WeakPolarHBondContact O-CB 3.32Å; V164-N168 PolarHBondContact O-N 3.32Å; V164-M195 HydrophobicContact CB-CE 3.93Å; V164-M195 HydrophobicContact CB-SD 4.05Å; V164-M195 WeakPolarHBondContact CG2-O 3.34Å; V164-T199 HydrophobicContact CG2-CG2 3.84Å; V164-M377 HydrophobicContact CG1-CE 3.44Å; V164-M377 VanDerWaalsContact CG1-CE 3.44Å; V164-M377 HydrophobicContact CG1-SD 3.9Å; V164-L380 HydrophobicContact CG1-CD2 3.99Å |
| 165 | G | 97.7 | Very high | 97.7 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 17% | 0.165 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T163 N168 E169 | T163-G165 PolarHBondContact O-N 2.86Å; T163-G165 PolarHBondContact OG1-N 3.33Å; G165-N168 PolarHBondContact O-N 2.65Å; G165-E169 PolarHBondContact O-N 3.3Å |
| 166 | E | 98.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -40.7 | 179.4 | -65.9 | 170.5 | 146.5 | 0 | 0 | 112.5 | M162 T163 T170 T384 H388 | M162-E166 WeakPolarHBondContact CA-OE2 3.41Å; M162-E166 HydrophobicContact CG-CB 4.24Å; T163-E166 PolarHBondContact N-OE2 3.2Å; T163-E166 PolarHBondContact O-N 2.83Å; T163-E166 WeakPolarHBondContact OG1-CG 3.45Å; T163-E166 PolarHBondContact OG1-N 3.38Å; E166-T170 WeakPolarHBondContact O-CB 3.42Å; E166-T170 PolarHBondContact O-N 2.94Å; E166-T170 PolarHBondContact O-OG1 2.85Å; E166-T384 HydrophobicContact CG-CG2 4.38Å; E166-H388 IonicContact OE1-CD2 3.88Å; E166-H388 IonicContact OE1-CE1 2.79Å; E166-H388 IonicContact OE1-NE2 2.75Å; E166-H388 PolarHBondContact OE1-NE2 3Å; E166-H388 IonicContact OE2-CE1 3.61Å; E166-H388 IonicContact OE2-NE2 3.77Å |
| 167 | L | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 173.7 | 179.7 | 60.5 | 0 | 0 | 0 | 110.2 | F114 M162 T163 E169 T170 L171 M195 F196 | F114-L167 HydrophobicContact CE1-CD1 4.06Å; F114-L167 HydrophobicContact CZ-CD1 4.37Å; M162-L167 HydrophobicContact CG-CB 4.37Å; M162-L167 HydrophobicContact SD-CB 3.93Å; M162-L167 HydrophobicContact SD-CD1 4.17Å; T163-L167 PolarHBondContact O-N 3.26Å; L167-E169 PolarHBondContact O-N 2.98Å; L167-T170 WeakPolarHBondContact O-CB 3.3Å; L167-T170 PolarHBondContact O-N 2.75Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-L171 HydrophobicContact CD1-CD1 4.37Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 4.19Å; L167-L171 HydrophobicContact CG-CD1 4.22Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.78Å; L167-M195 HydrophobicContact CB-CE 4.09Å; L167-M195 HydrophobicContact CD2-CB 4.39Å; L167-M195 HydrophobicContact CD2-CE 3.67Å; L167-F196 HydrophobicContact CD2-CE1 3.97Å; L167-F196 HydrophobicContact CD2-CZ 4.17Å |
| 168 | N | 97.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -179.1 | -174.2 | -153.3 | 0 | 0 | 0 | 112 | V164 G165 T170 L171 W172 T199 | V164-N168 WeakPolarHBondContact O-CB 3.32Å; V164-N168 PolarHBondContact O-N 3.32Å; G165-N168 PolarHBondContact O-N 2.65Å; N168-T170 VanDerWaalsContact C-N 3.31Å; N168-T170 PolarHBondContact O-N 2.8Å; N168-L171 PolarHBondContact O-N 2.79Å; N168-W172 VanDerWaalsContact ND2-CD1 3.28Å; N168-W172 PolarHBondContact ND2-NE1 2.91Å; N168-W172 PolarHBondContact O-N 3.43Å; N168-T199 PolarHBondContact ND2-O 2.89Å |
| 169 | E | 97.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 172.5 | -172 | -156.4 | 136.8 | 0 | 0 | 111.1 | R115 G165 L167 L171 W172 L173 | R115-E169 IonicContact CZ-OE1 3.92Å; R115-E169 IonicContact NE-OE1 2.97Å; R115-E169 IonicContact NH2-OE1 3.18Å; R115-E169 PolarHBondContact NH2-OE1 2.78Å; G165-E169 PolarHBondContact O-N 3.3Å; L167-E169 PolarHBondContact O-N 2.98Å; E169-L171 PolarHBondContact O-N 3.14Å; E169-W172 PolarHBondContact O-N 3.46Å; E169-L173 HydrophobicContact CG-CD1 4.08Å; E169-L173 WeakPolarHBondContact O-CB 3.01Å; E169-L173 WeakPolarHBondContact O-CG 2.92Å; E169-L173 PolarHBondContact O-N 3.19Å |
| 170 | T | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | R115 L118 L119 E166 L167 N168 L173 M174 | R115-T170 HydrophobicContact CB-CG2 4.36Å; R115-T170 WeakPolarHBondContact CD-OG1 3.48Å; R115-T170 HydrophobicContact CG-CG2 3.97Å; R115-T170 WeakPolarHBondContact CG-OG1 3.07Å; L118-T170 HydrophobicContact CB-CG2 4.3Å; L118-T170 HydrophobicContact CD1-CG2 4.08Å; L119-T170 HydrophobicContact CG-CG2 4.39Å; E166-T170 WeakPolarHBondContact O-CB 3.42Å; E166-T170 PolarHBondContact O-N 2.94Å; E166-T170 PolarHBondContact O-OG1 2.85Å; L167-T170 WeakPolarHBondContact O-CB 3.3Å; L167-T170 PolarHBondContact O-N 2.75Å; L167-T170 VanDerWaalsContact O-N 3.15Å; N168-T170 VanDerWaalsContact C-N 3.31Å; N168-T170 PolarHBondContact O-N 2.8Å; T170-L173 PolarHBondContact O-N 2.83Å; T170-M174 WeakPolarHBondContact O-CG 3.4Å; T170-M174 PolarHBondContact O-N 3.38Å |
| 171 | L | 98.2 | Very high | 97.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -40.2 | 179.3 | -63.6 | 179.5 | 0 | 0 | 0 | 111.9 | L167 N168 E169 M174 R175 M183 I185 F196 L200 I206 | L167-L171 HydrophobicContact CD1-CD1 4.37Å; L167-L171 HydrophobicContact CD1-CD2 4.45Å; L167-L171 HydrophobicContact CD1-CG 4.19Å; L167-L171 HydrophobicContact CG-CD1 4.22Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 2.78Å; N168-L171 PolarHBondContact O-N 2.79Å; E169-L171 PolarHBondContact O-N 3.14Å; L171-M174 WeakPolarHBondContact O-CB 3.32Å; L171-M174 PolarHBondContact O-N 2.79Å; L171-R175 PolarHBondContact O-N 2.85Å; L171-R175 VanDerWaalsContact O-N 3.07Å; L171-M183 HydrophobicContact CD2-SD 3.9Å; L171-I185 HydrophobicContact CD1-CD1 4.17Å; L171-I185 HydrophobicContact CD2-CD1 4.02Å; L171-F196 HydrophobicContact CD1-CE1 4.48Å; L171-L200 HydrophobicContact CD1-CD1 3.95Å; L171-I206 HydrophobicContact CB-CD1 4.15Å; L171-I206 HydrophobicContact CD1-CD1 4.43Å; L171-I206 HydrophobicContact CD2-CD1 4.08Å; L171-I206 HydrophobicContact CG-CD1 4.44Å |
| 172 | W | 97.3 | Very high | 97.9 | Very high | 113 Ų | 113 | 43.1 Ų | 43.1 | 43% | 0.428 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.7 | -88 | 118.8 | 0 | 0 | 0 | 112.2 | N168 E169 M174 R175 E176 P201 I204 | N168-W172 VanDerWaalsContact ND2-CD1 3.28Å; N168-W172 PolarHBondContact ND2-NE1 2.91Å; N168-W172 PolarHBondContact O-N 3.43Å; E169-W172 PolarHBondContact O-N 3.46Å; W172-M174 VanDerWaalsContact C-N 3.29Å; W172-M174 PolarHBondContact O-N 3.4Å; W172-R175 WeakPolarHBondContact O-CB 3.32Å; W172-R175 PolarHBondContact O-N 3.28Å; W172-R175 VanDerWaalsContact O-N 3.12Å; W172-E176 WeakPolarHBondContact O-CG 3.31Å; W172-E176 PolarHBondContact O-N 2.76Å; W172-P201 HydrophobicContact CH2-CG 4.17Å; W172-P201 HydrophobicContact CZ2-CG 3.81Å; W172-I204 HydrophobicContact CH2-CG2 4.22Å; W172-I204 HydrophobicContact CZ3-CG2 4.24Å |
| 173 | L | 97.8 | Very high | 97.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 176.8 | -73.7 | 171.5 | 0 | 0 | 0 | 112.4 | L119 E169 T170 R177 | L119-L173 HydrophobicContact CD1-CD1 4.16Å; L119-L173 HydrophobicContact CD2-CB 3.67Å; E169-L173 HydrophobicContact CG-CD1 4.08Å; E169-L173 WeakPolarHBondContact O-CB 3.01Å; E169-L173 WeakPolarHBondContact O-CG 2.92Å; E169-L173 PolarHBondContact O-N 3.19Å; T170-L173 PolarHBondContact O-N 2.83Å; L173-R177 VanDerWaalsContact O-CB 3.28Å; L173-R177 WeakPolarHBondContact O-CB 3.46Å; L173-R177 WeakPolarHBondContact O-CD 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.5Å; L173-R177 PolarHBondContact O-N 3.17Å; L173-R177 VanDerWaalsContact O-N 3.08Å |
| 174 | M | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 173.2 | -72.2 | -173.2 | 77.2 | 0 | 0 | 111.8 | L118 L119 I142 T170 L171 W172 R177 N178 R179 Y180 M183 | L118-M174 HydrophobicContact CB-CE 4.25Å; L118-M174 HydrophobicContact CB-SD 3.68Å; L118-M174 HydrophobicContact CD1-SD 4.14Å; L118-M174 HydrophobicContact CD2-CE 4.16Å; L118-M174 HydrophobicContact CD2-SD 4.09Å; L118-M174 HydrophobicContact CG-SD 4.19Å; L118-M174 WeakPolarHBondContact O-CE 3.3Å; L119-M174 HydrophobicContact CD2-CG 3.73Å; I142-M174 HydrophobicContact CD1-CE 3.51Å; T170-M174 WeakPolarHBondContact O-CG 3.4Å; T170-M174 PolarHBondContact O-N 3.38Å; L171-M174 WeakPolarHBondContact O-CB 3.32Å; L171-M174 PolarHBondContact O-N 2.79Å; W172-M174 VanDerWaalsContact C-N 3.29Å; W172-M174 PolarHBondContact O-N 3.4Å; M174-R177 PolarHBondContact O-N 2.84Å; M174-N178 PolarHBondContact O-N 2.94Å; M174-R179 HydrophobicContact CB-CB 4.29Å; M174-R179 HydrophobicContact CE-CB 4.2Å; M174-R179 WeakPolarHBondContact O-CB 3.28Å; M174-R179 PolarHBondContact O-N 3.32Å; M174-Y180 HydrophobicContact CB-CD1 4.15Å; M174-Y180 HydrophobicContact CB-CE1 3.87Å; M174-Y180 HydrophobicContact CE-CD1 4.33Å; M174-M183 HydrophobicContact CE-CE 3.25Å; M174-M183 HydrophobicContact SD-CE 3.52Å; M174-M183 VanDerWaalsContact SD-CE 3.52Å |
| 175 | R | 97 | Very high | 98 | Very high | 94 Ų | 94 | 43.2 Ų | 43.2 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 176.5 | 177.2 | 56.9 | 178.2 | 177.9 | -2.4 | 111.4 | L171 W172 R177 N178 Y180 I204 | L171-R175 PolarHBondContact O-N 2.85Å; L171-R175 VanDerWaalsContact O-N 3.07Å; W172-R175 WeakPolarHBondContact O-CB 3.32Å; W172-R175 PolarHBondContact O-N 3.28Å; W172-R175 VanDerWaalsContact O-N 3.12Å; R175-R177 PolarHBondContact O-N 2.89Å; R175-N178 PolarHBondContact O-N 2.81Å; R175-Y180 HydrophobicContact CB-CE1 4.41Å; R175-I204 HydrophobicContact CG-CB 4.48Å; R175-I204 HydrophobicContact CG-CG2 4.41Å |
| 176 | E | 97.1 | Very high | 98 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 64% | 0.64 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -58.3 | -33.1 | 179 | -72.8 | -175.3 | 156.5 | 0 | 0 | 112.6 | W172 N178 | W172-E176 WeakPolarHBondContact O-CG 3.31Å; W172-E176 PolarHBondContact O-N 2.76Å; E176-N178 VanDerWaalsContact C-N 3.33Å |
| 177 | R | 97.5 | Very high | 98.1 | Very high | 121 Ų | 121 | 40.3 Ų | 40.3 | 46% | 0.457 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 9 | 179.2 | -65.5 | 175.5 | -175.7 | -158.8 | 0.5 | 113.7 | L173 M174 R175 R179 | L173-R177 VanDerWaalsContact O-CB 3.28Å; L173-R177 WeakPolarHBondContact O-CB 3.46Å; L173-R177 WeakPolarHBondContact O-CD 3.28Å; L173-R177 WeakPolarHBondContact O-CG 3.5Å; L173-R177 PolarHBondContact O-N 3.17Å; L173-R177 VanDerWaalsContact O-N 3.08Å; M174-R177 PolarHBondContact O-N 2.84Å; R175-R177 PolarHBondContact O-N 2.89Å; R177-R179 VanDerWaalsContact C-N 3.29Å; R177-R179 HydrophobicContact CB-CG 3.69Å; R177-R179 WeakPolarHBondContact O-CD 3.49Å; R177-R179 PolarHBondContact O-N 2.83Å |
| 178 | N | 97.4 | Very high | 98.1 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 46.6 | 178.8 | -63.4 | -56.9 | 0 | 0 | 0 | 113 | G137 P138 M174 R175 E176 | G137-N178 CarbonylContact C-O 3.52Å; P138-N178 VanDerWaalsContact CA-O 3.31Å; P138-N178 WeakPolarHBondContact CA-O 3.44Å; P138-N178 HydrophobicContact CB-CB 4.2Å; P138-N178 VanDerWaalsContact N-O 3.16Å; M174-N178 PolarHBondContact O-N 2.94Å; R175-N178 PolarHBondContact O-N 2.81Å; E176-N178 VanDerWaalsContact C-N 3.33Å |
| 179 | R | 97.7 | Very high | 98.2 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | trans | -84.6 | -6.5 | -171 | -65 | -56.1 | -54.5 | -78.9 | -25.5 | 115 | L119 I134 S136 G137 M174 R177 | L119-R179 PolarHBondContact O-NH1 3.24Å; I134-R179 PolarHBondContact O-NH2 2.89Å; S136-R179 CarbonylContact C-O 3.39Å; S136-R179 WeakPolarHBondContact CB-O 3.24Å; S136-R179 PolarHBondContact O-NE 2.94Å; S136-R179 PolarHBondContact OG-O 3.37Å; G137-R179 CarbonylContact O-C 3.5Å; M174-R179 HydrophobicContact CB-CB 4.29Å; M174-R179 HydrophobicContact CE-CB 4.2Å; M174-R179 WeakPolarHBondContact O-CB 3.28Å; M174-R179 PolarHBondContact O-N 3.32Å; R177-R179 VanDerWaalsContact C-N 3.29Å; R177-R179 HydrophobicContact CB-CG 3.69Å; R177-R179 WeakPolarHBondContact O-CD 3.49Å; R177-R179 PolarHBondContact O-N 2.83Å | ||
| 180 | Y | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | trans | -154.8 | 152.6 | -178.1 | 60.9 | -86.4 | 0 | 0 | 0 | 109.5 | G137 P138 D140 M174 R175 M183 I204 E205 I206 | G137-Y180 WeakPolarHBondContact O-CA 2.99Å; G137-Y180 PolarHBondContact O-N 3.37Å; P138-Y180 CarbonylContact O-C 3.58Å; D140-Y180 CarbonylContact O-C 3.47Å; D140-Y180 WeakPolarHBondContact O-CA 3.21Å; M174-Y180 HydrophobicContact CB-CD1 4.15Å; M174-Y180 HydrophobicContact CB-CE1 3.87Å; M174-Y180 HydrophobicContact CE-CD1 4.33Å; R175-Y180 HydrophobicContact CB-CE1 4.41Å; Y180-M183 HydrophobicContact CD1-CE 3.71Å; Y180-M183 HydrophobicContact CD2-CB 4.09Å; Y180-M183 HydrophobicContact CE1-CE 4.01Å; Y180-M183 HydrophobicContact CE2-CB 4.33Å; Y180-M183 HydrophobicContact CG-CB 4.43Å; Y180-M183 HydrophobicContact CG-CE 4.11Å; Y180-I204 VanDerWaalsContact CE2-O 3.25Å; Y180-I204 WeakPolarHBondContact CE2-O 3.42Å; Y180-I204 PolarHBondContact OH-O 3.3Å; Y180-E205 HydrophobicContact CE2-CB 4.17Å; Y180-I206 HydrophobicContact CE1-CD1 4.39Å; Y180-I206 HydrophobicContact CE2-CD1 4.45Å; Y180-I206 HydrophobicContact CE2-CG1 3.81Å; Y180-I206 WeakPolarHBondContact OH-CD1 3.31Å; Y180-I206 WeakPolarHBondContact OH-CG1 3.27Å | ||
| 181 | G | 98 | Very high | 98.2 | Very high | 16 Ų | 16 | 34 Ų | 34 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -80.7 | -48.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P138 D140 E205 | P138-G181 WeakPolarHBondContact O-CA 3.47Å; P138-G181 PolarHBondContact O-N 3.49Å; P138-G181 VanDerWaalsContact O-N 3.1Å; D140-G181 PolarHBondContact O-N 3.09Å; G181-E205 VanDerWaalsContact O-CB 3.26Å; G181-E205 WeakPolarHBondContact O-CB 3.2Å |
| 182 | K | 98.6 | Very high | 98.2 | Very high | 50 Ų | 50 | 33.8 Ų | 33.8 | 22% | 0.217 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151 | 176.1 | -64.3 | 178.6 | 171.7 | 37.6 | 0 | 112 | D140 H141 I142 E205 V277 L280 F285 | D140-K182 PolarHBondContact O-N 3.07Å; H141-K182 WeakPolarHBondContact CA-O 3.31Å; I142-K182 PolarHBondContact N-O 3.32Å; K182-E205 WeakPolarHBondContact CA-O 3.25Å; K182-E205 VanDerWaalsContact CE-OE2 3.23Å; K182-E205 WeakPolarHBondContact CE-OE2 3.4Å; K182-E205 HydrophobicContact CG-CB 4.37Å; K182-E205 VanDerWaalsContact CG-OE2 3.3Å; K182-E205 WeakPolarHBondContact CG-OE2 3.34Å; K182-E205 IonicContact NZ-OE2 3.92Å; K182-E205 PolarHBondContact NZ-OE2 3.07Å; K182-V277 HydrophobicContact CD-CG2 4.38Å; K182-V277 HydrophobicContact CG-CG2 4.42Å; K182-L280 HydrophobicContact CD-CD1 3.31Å; K182-F285 HydrophobicContact CB-CE1 4.25Å; K182-F285 HydrophobicContact CB-CZ 3.8Å |
| 183 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.3 | 176.6 | -170.5 | -178.1 | -66.3 | 0 | 0 | 111.9 | I142 V144 L171 M174 Y180 I185 E205 I206 Y207 | I142-M183 HydrophobicContact CB-CE 4.38Å; I142-M183 HydrophobicContact CB-CG 4.2Å; I142-M183 HydrophobicContact CD1-CE 4.03Å; I142-M183 HydrophobicContact CG2-CG 4.49Å; I142-M183 CarbonylContact O-C 3.59Å; I142-M183 VanDerWaalsContact O-CA 3.3Å; I142-M183 WeakPolarHBondContact O-CA 3.31Å; V144-M183 HydrophobicContact CG2-SD 4.4Å; L171-M183 HydrophobicContact CD2-SD 3.9Å; M174-M183 HydrophobicContact CE-CE 3.25Å; M174-M183 HydrophobicContact SD-CE 3.52Å; M174-M183 VanDerWaalsContact SD-CE 3.52Å; Y180-M183 HydrophobicContact CD1-CE 3.71Å; Y180-M183 HydrophobicContact CD2-CB 4.09Å; Y180-M183 HydrophobicContact CE1-CE 4.01Å; Y180-M183 HydrophobicContact CE2-CB 4.33Å; Y180-M183 HydrophobicContact CG-CB 4.43Å; Y180-M183 HydrophobicContact CG-CE 4.11Å; M183-I185 HydrophobicContact CG-CD1 4.4Å; M183-I185 HydrophobicContact CG-CG1 3.96Å; M183-I185 HydrophobicContact SD-CD1 3.81Å; M183-I185 HydrophobicContact SD-CG1 3.98Å; M183-E205 PolarHBondContact N-O 3.38Å; M183-I206 HydrophobicContact CB-CB 4.4Å; M183-I206 HydrophobicContact CB-CG1 4Å; M183-I206 HydrophobicContact CB-CG2 4.22Å; M183-I206 HydrophobicContact CG-CG2 4.43Å; M183-I206 WeakPolarHBondContact O-CA 3.37Å; M183-I206 HydrophobicContact SD-CD1 4.03Å; M183-I206 HydrophobicContact SD-CG1 4.47Å; M183-I206 HydrophobicContact SD-CG2 4.37Å; M183-Y207 PolarHBondContact O-N 3.1Å |
| 184 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.8 | 175.4 | 179.4 | 59 | 0 | 0 | 0 | 108.9 | I142 F143 V144 Y186 Y207 I253 F285 F286 | I142-L184 PolarHBondContact O-N 3.49Å; F143-L184 CarbonylContact C-O 3.58Å; F143-L184 WeakPolarHBondContact CA-O 3.35Å; F143-L184 HydrophobicContact CD2-CB 4.09Å; F143-L184 HydrophobicContact CD2-CD2 3.9Å; F143-L184 HydrophobicContact CD2-CG 3.82Å; F143-L184 WeakPolarHBondContact CD2-O 3.47Å; F143-L184 HydrophobicContact CE2-CD2 4.22Å; F143-L184 HydrophobicContact CE2-CG 4.19Å; V144-L184 PolarHBondContact N-O 2.95Å; L184-Y186 HydrophobicContact CD1-CD1 3.99Å; L184-Y186 HydrophobicContact CD1-CE1 3.44Å; L184-Y186 VanDerWaalsContact CD1-CE1 3.44Å; L184-Y186 HydrophobicContact CD2-CE1 4Å; L184-Y186 HydrophobicContact CG-CD1 4.1Å; L184-Y186 HydrophobicContact CG-CE1 3.77Å; L184-Y207 CarbonylContact C-O 3.4Å; L184-Y207 WeakPolarHBondContact CA-O 3.19Å; L184-Y207 HydrophobicContact CD1-CD1 3.45Å; L184-Y207 VanDerWaalsContact CD1-CD1 3.45Å; L184-Y207 HydrophobicContact CD1-CE1 4.05Å; L184-Y207 HydrophobicContact CD1-CG 4.47Å; L184-I253 HydrophobicContact CD1-CD1 4.21Å; L184-I253 HydrophobicContact CD1-CG2 3.99Å; L184-I253 HydrophobicContact CD2-CD1 4.07Å; L184-I253 HydrophobicContact CD2-CG1 4.22Å; L184-F285 HydrophobicContact CB-CD1 3.47Å; L184-F285 VanDerWaalsContact CB-CD1 3.47Å; L184-F285 HydrophobicContact CB-CD2 4.2Å; L184-F285 HydrophobicContact CB-CE1 3.52Å; L184-F285 HydrophobicContact CB-CE2 4.23Å; L184-F285 HydrophobicContact CB-CG 3.82Å; L184-F285 HydrophobicContact CB-CZ 3.9Å; L184-F285 HydrophobicContact CD2-CB 3.87Å; L184-F285 HydrophobicContact CD2-CD1 4.28Å; L184-F285 HydrophobicContact CD2-CD2 3.9Å; L184-F285 HydrophobicContact CD2-CG 3.75Å; L184-F285 HydrophobicContact CG-CG 4.44Å; L184-F286 HydrophobicContact CD2-CE1 4.07Å; L184-F286 HydrophobicContact CD2-CZ 4.38Å |
| 185 | I | 98.9 | Very high | 98.1 | Very high | 7 Ų | 7 | 27.3 Ų | 27.3 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117.7 | -178.2 | -49.9 | 179.6 | 0 | 0 | 0 | 110.7 | V144 L171 M183 V187 F196 I206 Y207 A208 T209 | V144-I185 HydrophobicContact CB-CG1 4.3Å; V144-I185 HydrophobicContact CB-CG2 4.26Å; V144-I185 HydrophobicContact CG1-CG2 4.46Å; V144-I185 CarbonylContact O-C 3.51Å; V144-I185 WeakPolarHBondContact O-CA 3.28Å; L171-I185 HydrophobicContact CD1-CD1 4.17Å; L171-I185 HydrophobicContact CD2-CD1 4.02Å; M183-I185 HydrophobicContact CG-CD1 4.4Å; M183-I185 HydrophobicContact CG-CG1 3.96Å; M183-I185 HydrophobicContact SD-CD1 3.81Å; M183-I185 HydrophobicContact SD-CG1 3.98Å; I185-V187 HydrophobicContact CG2-CG2 3.83Å; I185-F196 HydrophobicContact CD1-CE1 4.28Å; I185-F196 HydrophobicContact CG2-CZ 3.9Å; I185-I206 HydrophobicContact CD1-CG2 3.61Å; I185-I206 HydrophobicContact CG1-CG2 4.06Å; I185-Y207 PolarHBondContact N-O 2.62Å; I185-A208 HydrophobicContact CB-CB 3.98Å; I185-A208 CarbonylContact O-C 3.51Å; I185-A208 WeakPolarHBondContact O-CA 3.43Å; I185-T209 PolarHBondContact O-N 3.36Å |
| 186 | Y | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.7 | 174.6 | -76.2 | 14.2 | 0 | 0 | 0 | 109.9 | F143 V144 N145 F146 L184 T209 W239 Q256 F286 | F143-Y186 HydrophobicContact CE2-CD1 4.07Å; F143-Y186 AromaticContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CE2 4.43Å; F143-Y186 AromaticContact CE2-CG 3.71Å; F143-Y186 HydrophobicContact CE2-CG 3.71Å; F143-Y186 AromaticContact CZ-CD2 4Å; F143-Y186 HydrophobicContact CZ-CD2 4Å; F143-Y186 HydrophobicContact CZ-CG 4.17Å; V144-Y186 PolarHBondContact O-N 3.35Å; N145-Y186 WeakPolarHBondContact CA-O 3.13Å; N145-Y186 PolarHBondContact ND2-O 3.44Å; F146-Y186 PolarHBondContact N-O 2.84Å; L184-Y186 HydrophobicContact CD1-CD1 3.99Å; L184-Y186 HydrophobicContact CD1-CE1 3.44Å; L184-Y186 VanDerWaalsContact CD1-CE1 3.44Å; L184-Y186 HydrophobicContact CD2-CE1 4Å; L184-Y186 HydrophobicContact CG-CD1 4.1Å; L184-Y186 HydrophobicContact CG-CE1 3.77Å; Y186-T209 HydrophobicContact CD1-CG2 3.15Å; Y186-T209 HydrophobicContact CE1-CG2 3.18Å; Y186-T209 HydrophobicContact CG-CG2 3.92Å; Y186-W239 AromaticContact CD2-CD2 3.78Å; Y186-W239 HydrophobicContact CD2-CD2 3.78Å; Y186-W239 AromaticContact CD2-CE2 3.92Å; Y186-W239 HydrophobicContact CD2-CE3 4.2Å; Y186-W239 AromaticContact CD2-CG 3.98Å; Y186-W239 HydrophobicContact CD2-CG 3.98Å; Y186-W239 HydrophobicContact CD2-CZ2 4.47Å; Y186-W239 HydrophobicContact CE2-CB 4.29Å; Y186-W239 AromaticContact CE2-CD2 3.86Å; Y186-W239 HydrophobicContact CE2-CD2 3.86Å; Y186-W239 AromaticContact CE2-CE3 3.95Å; Y186-W239 HydrophobicContact CE2-CE3 3.95Å; Y186-W239 HydrophobicContact CE2-CG 4.01Å; Y186-Q256 VanDerWaalsContact CE2-OE1 3.31Å; Y186-Q256 PolarHBondContact OH-OE1 3.43Å; Y186-F286 HydrophobicContact CE2-CZ 4.04Å |
| 187 | V | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 110.9 | -177.3 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | F146 L155 I185 A189 F196 T209 T210 A211 | F146-V187 HydrophobicContact CD1-CG1 4.16Å; F146-V187 WeakPolarHBondContact O-CA 3.45Å; L155-V187 HydrophobicContact CD2-CG1 3.77Å; I185-V187 HydrophobicContact CG2-CG2 3.83Å; V187-A189 HydrophobicContact CG1-CB 4.11Å; V187-F196 HydrophobicContact CB-CE2 4.4Å; V187-F196 HydrophobicContact CG2-CE2 3.64Å; V187-F196 HydrophobicContact CG2-CZ 3.77Å; V187-T209 PolarHBondContact N-O 3.22Å; V187-T210 HydrophobicContact CB-CG2 4.41Å; V187-T210 WeakPolarHBondContact O-CA 3.46Å; V187-A211 PolarHBondContact O-N 2.51Å |
| 188 | E | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 99.5 | 166.3 | 176.1 | 64.3 | -76.4 | 0 | 0 | 108.8 | F146 V147 D148 A211 S218 D233 Y235 S236 | F146-E188 PolarHBondContact O-N 2.74Å; V147-E188 WeakPolarHBondContact CA-O 3.42Å; V147-E188 HydrophobicContact CB-CB 4.27Å; V147-E188 HydrophobicContact CG1-CB 3.98Å; V147-E188 HydrophobicContact CG1-CG 3.89Å; V147-E188 HydrophobicContact CG2-CB 4.08Å; D148-E188 PolarHBondContact N-O 3.04Å; D148-E188 VanDerWaalsContact O-O 3.09Å; E188-A211 WeakPolarHBondContact OE1-CB 3.34Å; E188-S218 WeakPolarHBondContact OE1-CB 3.45Å; E188-S218 PolarHBondContact OE1-OG 3.17Å; E188-D233 VanDerWaalsContact CD-CB 3.49Å; E188-D233 HydrophobicContact CG-CB 3.59Å; E188-D233 WeakPolarHBondContact OE2-CB 3.43Å; E188-Y235 HydrophobicContact CB-CD1 3.97Å; E188-Y235 HydrophobicContact CB-CE1 4.41Å; E188-Y235 VanDerWaalsContact OE2-CB 3.31Å; E188-Y235 WeakPolarHBondContact OE2-CB 3.35Å; E188-Y235 PolarHBondContact OE2-N 3.03Å; E188-Y235 VanDerWaalsContact OE2-N 3.17Å; E188-S236 WeakPolarHBondContact CB-OG 3.29Å; E188-S236 WeakPolarHBondContact CG-OG 3.21Å; E188-S236 PolarHBondContact OE2-N 3.2Å; E188-S236 VanDerWaalsContact OE2-N 3.11Å |
| 189 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -160 | 159.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D148 L155 V187 S192 S218 | D148-A189 VanDerWaalsContact O-CA 3.3Å; D148-A189 WeakPolarHBondContact O-CA 3.38Å; L155-A189 HydrophobicContact CD2-CB 3.84Å; V187-A189 HydrophobicContact CG1-CB 4.11Å; A189-S192 VanDerWaalsContact O-CB 3.27Å; A189-S192 WeakPolarHBondContact O-CB 3.35Å; A189-S192 PolarHBondContact O-N 3.34Å; A189-S192 PolarHBondContact O-OG 2.87Å; A189-S192 VanDerWaalsContact O-OG 3.07Å; A189-S218 VanDerWaalsContact C-OG 3.29Å |
| 190 | C | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 139.1 | 168.7 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | G150 A151 S192 S217 S218 | G150-C190 CarbonylContact C-O 3.59Å; G150-C190 VanDerWaalsContact C-O 3.24Å; G150-C190 WeakPolarHBondContact CA-O 3.37Å; G150-C190 WeakPolarHBondContact O-CB 3.47Å; A151-C190 PolarHBondContact N-O 3.27Å; C190-S192 PolarHBondContact O-N 3.42Å; C190-S217 PolarHBondContact SG-OG 2.84Å; C190-S218 PolarHBondContact N-OG 3.02Å |
| 191 | E | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 21.9 | -177.4 | -64.1 | 87.3 | 176.8 | 0 | 0 | 114.5 | G193 S194 N213 G214 E216 R312 R372 | E191-G193 PolarHBondContact O-N 2.87Å; E191-S194 VanDerWaalsContact O-CB 3.31Å; E191-S194 WeakPolarHBondContact O-CB 3.47Å; E191-S194 PolarHBondContact O-N 3.39Å; E191-S194 PolarHBondContact O-OG 2.98Å; E191-N213 CarbonylContact C-O 3.59Å; E191-N213 WeakPolarHBondContact CA-O 3.23Å; E191-G214 WeakPolarHBondContact CG-O 3.31Å; E191-E216 WeakPolarHBondContact CA-O 3.19Å; E191-E216 WeakPolarHBondContact CG-O 3.1Å; E191-E216 PolarHBondContact N-O 3.01Å; E191-R312 IonicContact OE1-CZ 2.89Å; E191-R312 IonicContact OE1-NH1 3.22Å; E191-R312 PolarHBondContact OE1-NH1 3.22Å; E191-R312 IonicContact OE1-NH2 3.82Å; E191-R312 PolarHBondContact OE1-NH2 3.24Å; E191-R312 IonicContact OE2-CZ 3.69Å; E191-R312 IonicContact OE2-NH1 3.52Å; E191-R312 IonicContact OE2-NH2 3.54Å; E191-R312 PolarHBondContact OE2-NH2 3.15Å; E191-R372 IonicContact OE1-CZ 3.78Å; E191-R372 IonicContact OE1-NH1 3.29Å; E191-R372 PolarHBondContact OE1-NH1 3.29Å; E191-R372 IonicContact OE1-NH2 3.49Å; E191-R372 PolarHBondContact OE1-NH2 3.37Å |
| 192 | S | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -53.5 | -30.5 | -172.3 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | A189 C190 S194 M195 T210 A211 A212 | A189-S192 VanDerWaalsContact O-CB 3.27Å; A189-S192 WeakPolarHBondContact O-CB 3.35Å; A189-S192 PolarHBondContact O-N 3.34Å; A189-S192 PolarHBondContact O-OG 2.87Å; A189-S192 VanDerWaalsContact O-OG 3.07Å; C190-S192 PolarHBondContact O-N 3.42Å; S192-S194 PolarHBondContact O-N 2.93Å; S192-M195 WeakPolarHBondContact O-CB 3.01Å; S192-M195 PolarHBondContact O-N 3.41Å; S192-M195 VanDerWaalsContact O-N 3.1Å; S192-T210 WeakPolarHBondContact OG-CB 3.48Å; S192-A211 PolarHBondContact OG-N 2.85Å; S192-A212 PolarHBondContact OG-N 2.65Å; S192-A212 PolarHBondContact OG-O 2.77Å |
| 193 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -61.9 | -24.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E191 M195 F196 H197 A212 Y272 | E191-G193 PolarHBondContact O-N 2.87Å; G193-M195 PolarHBondContact O-N 2.85Å; G193-F196 PolarHBondContact O-N 3.47Å; G193-H197 WeakPolarHBondContact O-CB 3.46Å; G193-H197 PolarHBondContact O-N 2.85Å; G193-A212 PolarHBondContact N-O 3.3Å; G193-Y272 WeakPolarHBondContact CA-OH 3.34Å; G193-Y272 PolarHBondContact O-OH 3.21Å |
| 194 | S | 97 | Very high | 97.1 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -68.7 | -14.6 | 176 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | A151 H152 G153 E191 S192 F196 | A151-S194 PolarHBondContact O-OG 3.38Å; H152-S194 WeakPolarHBondContact CA-OG 3.38Å; G153-S194 PolarHBondContact N-OG 2.79Å; E191-S194 VanDerWaalsContact O-CB 3.31Å; E191-S194 WeakPolarHBondContact O-CB 3.47Å; E191-S194 PolarHBondContact O-N 3.39Å; E191-S194 PolarHBondContact O-OG 2.98Å; S192-S194 PolarHBondContact O-N 2.93Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.38Å |
| 195 | M | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -74.8 | -18 | 175.9 | -62.9 | -57 | -61.4 | 0 | 0 | 113.1 | I154 L155 V164 L167 S192 G193 T199 | I154-M195 PolarHBondContact N-SD 3.21Å; I154-M195 VanDerWaalsContact N-SD 3.38Å; L155-M195 HydrophobicContact CD1-CE 4.05Å; L155-M195 HydrophobicContact CD1-CG 4.4Å; L155-M195 HydrophobicContact CD2-CG 3.96Å; L155-M195 HydrophobicContact CD2-SD 4.43Å; L155-M195 HydrophobicContact CG-CE 3.81Å; L155-M195 HydrophobicContact CG-CG 3.96Å; L155-M195 HydrophobicContact CG-SD 3.97Å; V164-M195 HydrophobicContact CB-CE 3.93Å; V164-M195 HydrophobicContact CB-SD 4.05Å; V164-M195 WeakPolarHBondContact CG2-O 3.34Å; L167-M195 HydrophobicContact CB-CE 4.09Å; L167-M195 HydrophobicContact CD2-CB 4.39Å; L167-M195 HydrophobicContact CD2-CE 3.67Å; S192-M195 WeakPolarHBondContact O-CB 3.01Å; S192-M195 PolarHBondContact O-N 3.41Å; S192-M195 VanDerWaalsContact O-N 3.1Å; G193-M195 PolarHBondContact O-N 2.85Å; M195-T199 PolarHBondContact O-OG1 3.35Å; M195-T199 VanDerWaalsContact O-OG1 3.05Å |
| 196 | F | 97.6 | Very high | 97 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -18.3 | -174.2 | -52.8 | -71.7 | 0 | 0 | 0 | 113.8 | L167 L171 I185 V187 G193 S194 S198 T199 L200 A208 T210 Y272 | L167-F196 HydrophobicContact CD2-CE1 3.97Å; L167-F196 HydrophobicContact CD2-CZ 4.17Å; L171-F196 HydrophobicContact CD1-CE1 4.48Å; I185-F196 HydrophobicContact CD1-CE1 4.28Å; I185-F196 HydrophobicContact CG2-CZ 3.9Å; V187-F196 HydrophobicContact CB-CE2 4.4Å; V187-F196 HydrophobicContact CG2-CE2 3.64Å; V187-F196 HydrophobicContact CG2-CZ 3.77Å; G193-F196 PolarHBondContact O-N 3.47Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 3.38Å; F196-S198 PolarHBondContact O-N 3.1Å; F196-S198 VanDerWaalsContact O-N 3.14Å; F196-T199 VanDerWaalsContact C-OG1 3.31Å; F196-T199 VanDerWaalsContact CA-OG1 3.22Å; F196-T199 WeakPolarHBondContact CA-OG1 3.08Å; F196-T199 PolarHBondContact O-N 2.87Å; F196-T199 PolarHBondContact O-OG1 3.38Å; F196-L200 HydrophobicContact CB-CB 3.92Å; F196-L200 HydrophobicContact CB-CD2 4.32Å; F196-L200 HydrophobicContact CD1-CB 4.06Å; F196-L200 HydrophobicContact CD1-CD2 3.82Å; F196-L200 HydrophobicContact CD1-CG 4.36Å; F196-L200 HydrophobicContact CG-CB 4.47Å; F196-L200 HydrophobicContact CG-CD2 4.3Å; F196-L200 PolarHBondContact O-N 3.04Å; F196-L200 VanDerWaalsContact O-N 3.12Å; F196-A208 HydrophobicContact CD1-CB 4.03Å; F196-A208 HydrophobicContact CD2-CB 3.99Å; F196-A208 HydrophobicContact CE1-CB 4Å; F196-A208 HydrophobicContact CE2-CB 3.97Å; F196-A208 HydrophobicContact CG-CB 4.02Å; F196-A208 HydrophobicContact CZ-CB 3.97Å; F196-T210 HydrophobicContact CD2-CG2 3.53Å; F196-T210 HydrophobicContact CE2-CG2 3.67Å; F196-Y272 HydrophobicContact CB-CD1 4.02Å; F196-Y272 HydrophobicContact CB-CD2 3.78Å; F196-Y272 HydrophobicContact CB-CE2 4.41Å; F196-Y272 HydrophobicContact CB-CG 3.56Å; F196-Y272 HydrophobicContact CD2-CD2 4.23Å; F196-Y272 HydrophobicContact CG-CD2 4.39Å |
| 197 | H | 94.8 | Very high | 97 | Very high | 64 Ų | 64 | 28.8 Ų | 28.8 | 30% | 0.296 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 117.3 | 177.5 | -174.7 | 74.5 | 0 | 0 | 0 | 110.4 | G193 T199 Y272 | G193-H197 WeakPolarHBondContact O-CB 3.46Å; G193-H197 PolarHBondContact O-N 2.85Å; H197-T199 PolarHBondContact O-N 3.33Å; H197-T199 VanDerWaalsContact O-N 3.14Å; H197-Y272 HydrophobicContact CB-CE1 3.87Å |
| 198 | S | 91.7 | Very high | 97 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 57% | 0.573 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 2.1 | -176.4 | -56.2 | 0 | 0 | 0 | 0 | 116.4 | F196 S376 | F196-S198 PolarHBondContact O-N 3.1Å; F196-S198 VanDerWaalsContact O-N 3.14Å; S198-S376 PolarHBondContact OG-OG 3.06Å |
| 199 | T | 94.3 | Very high | 97 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 9% | 0.092 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -26.6 | -179.6 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | V164 N168 M195 F196 H197 P201 L380 | V164-T199 HydrophobicContact CG2-CG2 3.84Å; N168-T199 PolarHBondContact ND2-O 2.89Å; M195-T199 PolarHBondContact O-OG1 3.35Å; M195-T199 VanDerWaalsContact O-OG1 3.05Å; F196-T199 VanDerWaalsContact C-OG1 3.31Å; F196-T199 VanDerWaalsContact CA-OG1 3.22Å; F196-T199 WeakPolarHBondContact CA-OG1 3.08Å; F196-T199 PolarHBondContact O-N 2.87Å; F196-T199 PolarHBondContact O-OG1 3.38Å; H197-T199 PolarHBondContact O-N 3.33Å; H197-T199 VanDerWaalsContact O-N 3.14Å; T199-P201 WeakPolarHBondContact O-CD 3.36Å; T199-L380 HydrophobicContact CG2-CD1 4.33Å; T199-L380 HydrophobicContact CG2-CD2 4.34Å |
| 200 | L | 96.5 | Very high | 97 | Very high | 16 Ų | 16 | 28.8 Ų | 28.8 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -95 | 110.7 | 176.6 | -170.9 | 67.2 | 0 | 0 | 0 | 110.7 | L171 F196 I204 I206 A208 | L171-L200 HydrophobicContact CD1-CD1 3.95Å; F196-L200 HydrophobicContact CB-CB 3.92Å; F196-L200 HydrophobicContact CB-CD2 4.32Å; F196-L200 HydrophobicContact CD1-CB 4.06Å; F196-L200 HydrophobicContact CD1-CD2 3.82Å; F196-L200 HydrophobicContact CD1-CG 4.36Å; F196-L200 HydrophobicContact CG-CB 4.47Å; F196-L200 HydrophobicContact CG-CD2 4.3Å; F196-L200 PolarHBondContact O-N 3.04Å; F196-L200 VanDerWaalsContact O-N 3.12Å; L200-I204 HydrophobicContact CD1-CD1 4.08Å; L200-I206 HydrophobicContact CD1-CB 4.17Å; L200-I206 HydrophobicContact CD1-CD1 4.46Å; L200-I206 HydrophobicContact CD1-CG2 3.99Å; L200-I206 HydrophobicContact CD2-CG2 4.19Å; L200-A208 HydrophobicContact CD2-CB 3.78Å |
| 201 | P | 95.2 | Very high | 97.1 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 21% | 0.208 | 14% | 0.144 | C | C | . | . | trans | -71.8 | 163.4 | 178.5 | 30.2 | -33.7 | 0 | 0 | 0 | 111.7 | W172 T199 I204 G273 | W172-P201 HydrophobicContact CH2-CG 4.17Å; W172-P201 HydrophobicContact CZ2-CG 3.81Å; T199-P201 WeakPolarHBondContact O-CD 3.36Å; P201-I204 HydrophobicContact CG-CB 4.44Å; P201-I204 HydrophobicContact CG-CD1 3.59Å; P201-I204 HydrophobicContact CG-CG1 3.82Å; P201-I204 HydrophobicContact CG-CG2 3.8Å; P201-G273 WeakPolarHBondContact O-CA 3.21Å | ||
| 202 | R | 96.6 | Very high | 97.1 | Very high | 196 Ų | 196 | 28.7 Ų | 28.7 | 74% | 0.74 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -95.3 | -2.1 | -171.8 | -60.6 | -173.1 | 178.9 | 174 | -0.4 | 114.5 | D274 | R202-D274 WeakPolarHBondContact O-CA 3.38Å; R202-D274 VanDerWaalsContact O-CB 3.29Å; R202-D274 WeakPolarHBondContact O-CB 3.2Å |
| 203 | D | 94.9 | Very high | 97 | Very high | 121 Ų | 121 | 30 Ų | 30 | 65% | 0.647 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -124.2 | 27.5 | -168.5 | 62.5 | -27.3 | 0 | 0 | 0 | 112.6 | ||
| 204 | I | 96.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 4% | 0.036 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -122.7 | 16.3 | -178.3 | 66.5 | 163.1 | 0 | 0 | 0 | 113.8 | W172 R175 Y180 L200 P201 I206 | W172-I204 HydrophobicContact CH2-CG2 4.22Å; W172-I204 HydrophobicContact CZ3-CG2 4.24Å; R175-I204 HydrophobicContact CG-CB 4.48Å; R175-I204 HydrophobicContact CG-CG2 4.41Å; Y180-I204 VanDerWaalsContact CE2-O 3.25Å; Y180-I204 WeakPolarHBondContact CE2-O 3.42Å; Y180-I204 PolarHBondContact OH-O 3.3Å; L200-I204 HydrophobicContact CD1-CD1 4.08Å; P201-I204 HydrophobicContact CG-CB 4.44Å; P201-I204 HydrophobicContact CG-CD1 3.59Å; P201-I204 HydrophobicContact CG-CG1 3.82Å; P201-I204 HydrophobicContact CG-CG2 3.8Å; I204-I206 HydrophobicContact CD1-CB 4.32Å; I204-I206 HydrophobicContact CD1-CD1 3.67Å; I204-I206 HydrophobicContact CD1-CG1 3.89Å; I204-I206 HydrophobicContact CG1-CB 4.22Å; I204-I206 HydrophobicContact CG1-CD1 4.31Å; I204-I206 HydrophobicContact CG1-CG1 3.96Å; I204-I206 PolarHBondContact O-N 3.29Å |
| 205 | E | 98.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 58.3 | 28.8 | 176.7 | -56.5 | -89 | 157.6 | 0 | 0 | 113.7 | Y180 G181 K182 M183 | Y180-E205 HydrophobicContact CE2-CB 4.17Å; G181-E205 VanDerWaalsContact O-CB 3.26Å; G181-E205 WeakPolarHBondContact O-CB 3.2Å; K182-E205 WeakPolarHBondContact CA-O 3.25Å; K182-E205 VanDerWaalsContact CE-OE2 3.23Å; K182-E205 WeakPolarHBondContact CE-OE2 3.4Å; K182-E205 HydrophobicContact CG-CB 4.37Å; K182-E205 VanDerWaalsContact CG-OE2 3.3Å; K182-E205 WeakPolarHBondContact CG-OE2 3.34Å; K182-E205 IonicContact NZ-OE2 3.92Å; K182-E205 PolarHBondContact NZ-OE2 3.07Å; M183-E205 PolarHBondContact N-O 3.38Å |
| 206 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125 | 173.2 | -53.6 | -169.7 | 0 | 0 | 0 | 108.6 | L171 Y180 M183 I185 L200 I204 G273 D274 | L171-I206 HydrophobicContact CB-CD1 4.15Å; L171-I206 HydrophobicContact CD1-CD1 4.43Å; L171-I206 HydrophobicContact CD2-CD1 4.08Å; L171-I206 HydrophobicContact CG-CD1 4.44Å; Y180-I206 HydrophobicContact CE1-CD1 4.39Å; Y180-I206 HydrophobicContact CE2-CD1 4.45Å; Y180-I206 HydrophobicContact CE2-CG1 3.81Å; Y180-I206 WeakPolarHBondContact OH-CD1 3.31Å; Y180-I206 WeakPolarHBondContact OH-CG1 3.27Å; M183-I206 HydrophobicContact CB-CB 4.4Å; M183-I206 HydrophobicContact CB-CG1 4Å; M183-I206 HydrophobicContact CB-CG2 4.22Å; M183-I206 HydrophobicContact CG-CG2 4.43Å; M183-I206 WeakPolarHBondContact O-CA 3.37Å; M183-I206 HydrophobicContact SD-CD1 4.03Å; M183-I206 HydrophobicContact SD-CG1 4.47Å; M183-I206 HydrophobicContact SD-CG2 4.37Å; I185-I206 HydrophobicContact CD1-CG2 3.61Å; I185-I206 HydrophobicContact CG1-CG2 4.06Å; L200-I206 HydrophobicContact CD1-CB 4.17Å; L200-I206 HydrophobicContact CD1-CD1 4.46Å; L200-I206 HydrophobicContact CD1-CG2 3.99Å; L200-I206 HydrophobicContact CD2-CG2 4.19Å; I204-I206 HydrophobicContact CD1-CB 4.32Å; I204-I206 HydrophobicContact CD1-CD1 3.67Å; I204-I206 HydrophobicContact CD1-CG1 3.89Å; I204-I206 HydrophobicContact CG1-CB 4.22Å; I204-I206 HydrophobicContact CG1-CD1 4.31Å; I204-I206 HydrophobicContact CG1-CG1 3.96Å; I204-I206 PolarHBondContact O-N 3.29Å; I206-G273 CarbonylContact O-C 3.49Å; I206-G273 WeakPolarHBondContact O-CA 3.35Å; I206-D274 PolarHBondContact O-N 3.16Å |
| 207 | Y | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.2 | 166.7 | 173.1 | -85.9 | 0 | 0 | 0 | 109.9 | M183 L184 I185 T209 I253 Q271 L275 A278 | M183-Y207 PolarHBondContact O-N 3.1Å; L184-Y207 CarbonylContact C-O 3.4Å; L184-Y207 WeakPolarHBondContact CA-O 3.19Å; L184-Y207 HydrophobicContact CD1-CD1 3.45Å; L184-Y207 VanDerWaalsContact CD1-CD1 3.45Å; L184-Y207 HydrophobicContact CD1-CE1 4.05Å; L184-Y207 HydrophobicContact CD1-CG 4.47Å; I185-Y207 PolarHBondContact N-O 2.62Å; Y207-T209 HydrophobicContact CE1-CG2 4.09Å; Y207-I253 HydrophobicContact CD1-CG2 3.97Å; Y207-I253 HydrophobicContact CE1-CG2 3.55Å; Y207-Q271 HydrophobicContact CE2-CB 3.79Å; Y207-Q271 HydrophobicContact CE2-CG 4.4Å; Y207-Q271 VanDerWaalsContact CE2-OE1 3.26Å; Y207-Q271 WeakPolarHBondContact OH-CB 3.21Å; Y207-Q271 PolarHBondContact OH-OE1 3.48Å; Y207-L275 HydrophobicContact CD2-CD2 4.1Å; Y207-L275 HydrophobicContact CE2-CD2 3.9Å; Y207-A278 HydrophobicContact CD2-CB 3.77Å; Y207-A278 HydrophobicContact CE2-CB 3.51Å; Y207-A278 HydrophobicContact CG-CB 4.44Å |
| 208 | A | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 139.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I185 F196 L200 Q271 Y272 | I185-A208 HydrophobicContact CB-CB 3.98Å; I185-A208 CarbonylContact O-C 3.51Å; I185-A208 WeakPolarHBondContact O-CA 3.43Å; F196-A208 HydrophobicContact CD1-CB 4.03Å; F196-A208 HydrophobicContact CD2-CB 3.99Å; F196-A208 HydrophobicContact CE1-CB 4Å; F196-A208 HydrophobicContact CE2-CB 3.97Å; F196-A208 HydrophobicContact CG-CB 4.02Å; F196-A208 HydrophobicContact CZ-CB 3.97Å; L200-A208 HydrophobicContact CD2-CB 3.78Å; A208-Q271 CarbonylContact O-C 3.59Å; A208-Q271 VanDerWaalsContact O-CA 3.24Å; A208-Q271 WeakPolarHBondContact O-CA 3.46Å; A208-Y272 PolarHBondContact N-O 2.9Å; A208-Y272 PolarHBondContact O-N 2.95Å |
| 209 | T | 98.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.8 | 166.2 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | I185 Y186 V187 Y207 Y235 K270 | I185-T209 PolarHBondContact O-N 3.36Å; Y186-T209 HydrophobicContact CD1-CG2 3.15Å; Y186-T209 HydrophobicContact CE1-CG2 3.18Å; Y186-T209 HydrophobicContact CG-CG2 3.92Å; V187-T209 PolarHBondContact N-O 3.22Å; Y207-T209 HydrophobicContact CE1-CG2 4.09Å; T209-Y235 WeakPolarHBondContact CG2-OH 3.34Å; T209-K270 WeakPolarHBondContact CA-O 3.23Å; T209-K270 WeakPolarHBondContact CB-O 3.35Å; T209-K270 PolarHBondContact OG1-O 3.15Å |
| 210 | T | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.5 | -169.5 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | V187 S192 F196 A212 V269 K270 Y272 | V187-T210 HydrophobicContact CB-CG2 4.41Å; V187-T210 WeakPolarHBondContact O-CA 3.46Å; S192-T210 WeakPolarHBondContact OG-CB 3.48Å; F196-T210 HydrophobicContact CD2-CG2 3.53Å; F196-T210 HydrophobicContact CE2-CG2 3.67Å; T210-A212 VanDerWaalsContact C-N 3.28Å; T210-A212 PolarHBondContact O-N 3.29Å; T210-A212 PolarHBondContact OG1-O 3.3Å; T210-V269 VanDerWaalsContact O-CA 3.27Å; T210-V269 WeakPolarHBondContact O-CA 3.3Å; T210-V269 WeakPolarHBondContact O-CG1 3.47Å; T210-K270 PolarHBondContact N-O 2.93Å; T210-K270 PolarHBondContact O-N 3.2Å; T210-Y272 HydrophobicContact CG2-CD2 4.07Å; T210-Y272 HydrophobicContact CG2-CE2 3.84Å |
| 211 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -61.5 | -34.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V187 E188 S192 Y235 S267 | V187-A211 PolarHBondContact O-N 2.51Å; E188-A211 WeakPolarHBondContact OE1-CB 3.34Å; S192-A211 PolarHBondContact OG-N 2.85Å; A211-Y235 VanDerWaalsContact CB-CB 3.45Å; A211-Y235 HydrophobicContact CB-CD1 3.67Å; A211-Y235 HydrophobicContact CB-CD2 4.1Å; A211-Y235 HydrophobicContact CB-CE1 4.45Å; A211-Y235 HydrophobicContact CB-CG 3.47Å; A211-Y235 VanDerWaalsContact CB-CG 3.47Å; A211-S267 WeakPolarHBondContact O-CB 3.46Å; A211-S267 PolarHBondContact O-OG 2.79Å |
| 212 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -132.6 | 156.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S192 G193 T210 E216 H268 | S192-A212 PolarHBondContact OG-N 2.65Å; S192-A212 PolarHBondContact OG-O 2.77Å; G193-A212 PolarHBondContact N-O 3.3Å; T210-A212 VanDerWaalsContact C-N 3.28Å; T210-A212 PolarHBondContact O-N 3.29Å; T210-A212 PolarHBondContact OG1-O 3.3Å; A212-E216 HydrophobicContact CB-CG 3.7Å; A212-H268 CarbonylContact C-O 3.54Å |
| 213 | N | 96.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 20.7 Ų | 20.7 | 16% | 0.155 | 10% | 0.103 | C | C | . | . | trans | -68.9 | -178.8 | 166.3 | 71.6 | 33.8 | 0 | 0 | 0 | 111.3 | E191 Q215 E216 H268 K270 | E191-N213 CarbonylContact C-O 3.59Å; E191-N213 WeakPolarHBondContact CA-O 3.23Å; N213-Q215 PolarHBondContact O-N 3.14Å; N213-Q215 VanDerWaalsContact O-N 3.17Å; N213-Q215 WeakPolarHBondContact OD1-CA 3.3Å; N213-Q215 PolarHBondContact OD1-N 3.47Å; N213-E216 VanDerWaalsContact CG-CD 3.4Å; N213-E216 PolarHBondContact N-OE1 3.26Å; N213-E216 VanDerWaalsContact ND2-CD 3.28Å; N213-E216 PolarHBondContact ND2-OE1 2.68Å; N213-E216 VanDerWaalsContact ND2-OE1 3.14Å; N213-E216 PolarHBondContact ND2-OE2 3.14Å; N213-E216 WeakPolarHBondContact OD1-CG 3.48Å; N213-E216 PolarHBondContact OD1-N 3.23Å; N213-H268 HydrophobicContact CB-CB 4.31Å; N213-H268 PolarHBondContact N-O 2.98Å; N213-H268 VanDerWaalsContact N-O 3.17Å; N213-K270 HydrophobicContact CB-CD 4.23Å; N213-K270 HydrophobicContact CB-CG 4.01Å | ||
| 214 | G | 95 | Very high | 97.3 | Very high | 10 Ų | 10 | 15.9 Ų | 15.9 | 10% | 0.103 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 0.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | H152 E191 | H152-G214 PolarHBondContact CE1-O 2.93Å; H152-G214 PolarHBondContact ND1-O 3.01Å; E191-G214 WeakPolarHBondContact CG-O 3.31Å |
| 215 | Q | 93.8 | Very high | 97 | Very high | 70 Ų | 70 | 19.5 Ų | 19.5 | 33% | 0.327 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.2 | -10.7 | -168.5 | -63.3 | -176.1 | -21.4 | 0 | 0 | 114.8 | N213 R372 Q373 D374 | N213-Q215 PolarHBondContact O-N 3.14Å; N213-Q215 VanDerWaalsContact O-N 3.17Å; N213-Q215 WeakPolarHBondContact OD1-CA 3.3Å; N213-Q215 PolarHBondContact OD1-N 3.47Å; Q215-R372 PolarHBondContact O-NH1 3.22Å; Q215-Q373 PolarHBondContact NE2-O 3.18Å; Q215-D374 VanDerWaalsContact NE2-CB 3.29Å |
| 216 | E | 95.7 | Very high | 96.8 | Very high | 40 Ų | 40 | 20.8 Ų | 20.8 | 19% | 0.187 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -121.9 | 168 | -173.6 | 74.2 | -159.9 | 161.5 | 0 | 0 | 112.6 | E191 A212 N213 H268 | E191-E216 WeakPolarHBondContact CA-O 3.19Å; E191-E216 WeakPolarHBondContact CG-O 3.1Å; E191-E216 PolarHBondContact N-O 3.01Å; A212-E216 HydrophobicContact CB-CG 3.7Å; N213-E216 VanDerWaalsContact CG-CD 3.4Å; N213-E216 PolarHBondContact N-OE1 3.26Å; N213-E216 VanDerWaalsContact ND2-CD 3.28Å; N213-E216 PolarHBondContact ND2-OE1 2.68Å; N213-E216 VanDerWaalsContact ND2-OE1 3.14Å; N213-E216 PolarHBondContact ND2-OE2 3.14Å; N213-E216 WeakPolarHBondContact OD1-CG 3.48Å; N213-E216 PolarHBondContact OD1-N 3.23Å; E216-H268 WeakPolarHBondContact OE1-CA 3.2Å; E216-H268 VanDerWaalsContact OE1-CB 3.29Å; E216-H268 WeakPolarHBondContact OE1-CB 3.3Å; E216-H268 IonicContact OE1-CG 3.87Å; E216-H268 PolarHBondContact OE1-N 2.95Å; E216-H268 IonicContact OE1-ND1 3.3Å; E216-H268 PolarHBondContact OE1-ND1 3.36Å; E216-H268 IonicContact OE2-CE1 3.77Å; E216-H268 IonicContact OE2-CG 3.17Å; E216-H268 IonicContact OE2-ND1 3.9Å; E216-H268 PolarHBondContact OE2-ND1 2.7Å |
| 217 | S | 97.2 | Very high | 96.6 | Very high | 11 Ų | 11 | 21 Ų | 21 | 8% | 0.077 | 11% | 0.107 | C | C | . | . | trans | -82.2 | 154.5 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | C190 S310 S311 | C190-S217 PolarHBondContact SG-OG 2.84Å; S217-S310 VanDerWaalsContact CB-OG 3.27Å; S217-S310 WeakPolarHBondContact CB-OG 3.36Å; S217-S310 PolarHBondContact OG-OG 3.27Å; S217-S311 PolarHBondContact OG-N 3.34Å | ||
| 218 | S | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | trans | -81.2 | 170.6 | 153.9 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | E188 A189 C190 S311 | E188-S218 WeakPolarHBondContact OE1-CB 3.45Å; E188-S218 PolarHBondContact OE1-OG 3.17Å; A189-S218 VanDerWaalsContact C-OG 3.29Å; C190-S218 PolarHBondContact N-OG 3.02Å; S218-S311 WeakPolarHBondContact O-CB 3.5Å; S218-S311 PolarHBondContact O-N 3.01Å | ||
| 219 | Y | 98.2 | Very high | 96.3 | Very high | 68 Ų | 68 | 23.8 Ų | 23.8 | 27% | 0.267 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.7 | -170.8 | -78.1 | -111.9 | 0 | 0 | 0 | 111.8 | D233 C234 T266 A308 V309 | Y219-D233 CarbonylContact O-C 3.54Å; Y219-D233 WeakPolarHBondContact O-CA 3.38Å; Y219-C234 VanDerWaalsContact CB-SG 3.54Å; Y219-C234 PolarHBondContact O-N 3.31Å; Y219-C234 PolarHBondContact O-SG 2.81Å; Y219-T266 HydrophobicContact CD1-CG2 4.02Å; Y219-T266 HydrophobicContact CE1-CG2 4.4Å; Y219-T266 WeakPolarHBondContact CE2-O 3.16Å; Y219-T266 HydrophobicContact CG-CG2 4.17Å; Y219-A308 HydrophobicContact CD1-CB 4.35Å; Y219-V309 CarbonylContact C-O 3.43Å; Y219-V309 VanDerWaalsContact CA-O 3.24Å; Y219-V309 WeakPolarHBondContact CA-O 3.33Å; Y219-V309 WeakPolarHBondContact CD1-O 3.33Å |
| 220 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 154.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | R45 Y230 A308 V309 V314 | R45-A220 VanDerWaalsContact CD-CB 3.42Å; A220-Y230 HydrophobicContact CB-CD1 3.91Å; A220-Y230 HydrophobicContact CB-CG 3.91Å; A220-A308 VanDerWaalsContact O-CA 3.28Å; A220-A308 WeakPolarHBondContact O-CA 3.36Å; A220-V309 HydrophobicContact CB-CG1 4.09Å; A220-V309 PolarHBondContact N-O 3.34Å; A220-V309 PolarHBondContact O-N 3.17Å; A220-V309 VanDerWaalsContact O-N 3.1Å; A220-V314 HydrophobicContact CB-CG2 3.46Å; A220-V314 VanDerWaalsContact CB-CG2 3.46Å |
| 221 | C | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 174.8 | 175.6 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | Y230 L231 G232 C234 W304 | C221-Y230 WeakPolarHBondContact O-CD1 3.32Å; C221-L231 PolarHBondContact O-N 3.1Å; C221-G232 PolarHBondContact N-O 3.21Å; C221-G232 PolarHBondContact O-N 3.19Å; C221-G232 VanDerWaalsContact O-O 3.07Å; C221-C234 VanDerWaalsContact CB-SG 3.57Å; C221-W304 HydrophobicContact CB-CB 3.56Å; C221-W304 HydrophobicContact CB-CE3 4.31Å; C221-W304 HydrophobicContact CB-CG 4.33Å |
| 222 | F | 95.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 23.7 Ų | 23.7 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.4 | 60.8 | 179.3 | -59.4 | -39.5 | 0 | 0 | 0 | 111.4 | H90 P91 D224 L231 V237 E241 F303 W304 D307 | H90-F222 HydrophobicContact CB-CE2 4.47Å; H90-F222 AromaticContact CD2-CE2 3.72Å; H90-F222 AromaticContact CD2-CZ 3.49Å; H90-F222 VanDerWaalsContact CD2-CZ 3.49Å; H90-F222 WeakPolarHBondContact CD2-CZ 3.44Å; P91-F222 VanDerWaalsContact CD-CG 3.41Å; P91-F222 HydrophobicContact CG-CB 3.75Å; P91-F222 HydrophobicContact CG-CD1 3.67Å; P91-F222 HydrophobicContact CG-CE1 4.37Å; P91-F222 HydrophobicContact CG-CG 3.81Å; F222-D224 PolarHBondContact O-N 3.37Å; F222-L231 HydrophobicContact CB-CB 3.97Å; F222-L231 HydrophobicContact CB-CG 4.46Å; F222-L231 VanDerWaalsContact O-CG 3.3Å; F222-L231 WeakPolarHBondContact O-CG 3.32Å; F222-L231 PolarHBondContact O-N 3.14Å; F222-V237 HydrophobicContact CD2-CG1 4.03Å; F222-V237 HydrophobicContact CE2-CB 3.87Å; F222-V237 HydrophobicContact CE2-CG1 3.78Å; F222-V237 HydrophobicContact CE2-CG2 3.84Å; F222-V237 HydrophobicContact CZ-CG2 4.33Å; F222-E241 WeakPolarHBondContact CE2-OE1 3.44Å; F222-F303 HydrophobicContact CD1-CD1 4.17Å; F222-F303 HydrophobicContact CE1-CB 4.39Å; F222-F303 AromaticContact CE1-CD1 3.83Å; F222-F303 HydrophobicContact CE1-CD1 3.83Å; F222-W304 HydrophobicContact CD1-CB 3.68Å; F222-W304 HydrophobicContact CE1-CB 3.38Å; F222-W304 HydrophobicContact CE1-CG 4.28Å; F222-W304 HydrophobicContact CG-CB 4.44Å; F222-W304 HydrophobicContact CZ-CB 3.89Å; F222-W304 HydrophobicContact CZ-CG 4.43Å; F222-D307 WeakPolarHBondContact CA-OD2 3.1Å; F222-D307 PolarHBondContact N-OD1 3.17Å; F222-D307 PolarHBondContact N-OD2 2.94Å |
| 223 | F | 95.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 7% | 0.066 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 116.1 | 170 | -173.3 | -96.4 | 0 | 0 | 0 | 110.2 | E225 K228 Y230 D307 I318 R321 | F223-E225 HydrophobicContact CD1-CG 4.39Å; F223-E225 HydrophobicContact CE1-CG 4.38Å; F223-E225 WeakPolarHBondContact CE1-OE1 3.48Å; F223-K228 HydrophobicContact CZ-CD 4.5Å; F223-Y230 HydrophobicContact CB-CD1 4.03Å; F223-Y230 HydrophobicContact CB-CE1 3.73Å; F223-Y230 HydrophobicContact CD2-CD1 4.48Å; F223-Y230 AromaticContact CD2-CD2 3.8Å; F223-Y230 HydrophobicContact CD2-CD2 3.8Å; F223-Y230 HydrophobicContact CD2-CE1 4.26Å; F223-Y230 AromaticContact CD2-CE2 3.53Å; F223-Y230 HydrophobicContact CD2-CE2 3.53Å; F223-Y230 HydrophobicContact CD2-CG 4.27Å; F223-Y230 AromaticContact CD2-CZ 3.79Å; F223-Y230 HydrophobicContact CE2-CE2 4.24Å; F223-Y230 HydrophobicContact CG-CE1 4.48Å; F223-Y230 HydrophobicContact CG-CE2 4.46Å; F223-D307 HydrophobicContact CB-CB 4.2Å; F223-D307 PolarHBondContact N-OD2 2.88Å; F223-I318 HydrophobicContact CE2-CG1 4.04Å; F223-R321 HydrophobicContact CE1-CB 4.26Å; F223-R321 HydrophobicContact CE1-CG 4.48Å; F223-R321 HydrophobicContact CZ-CB 3.96Å; F223-R321 HydrophobicContact CZ-CG 4.39Å |
| 224 | D | 95 | Very high | 96.2 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.5 | 176.5 | -171.7 | -82.9 | 0 | 0 | 0 | 110.6 | F222 T226 L227 K228 T229 L231 | F222-D224 PolarHBondContact O-N 3.37Å; D224-T226 PolarHBondContact O-N 3.19Å; D224-T226 VanDerWaalsContact OD1-CA 3.25Å; D224-T226 WeakPolarHBondContact OD1-CA 3.11Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 PolarHBondContact OD1-N 3.02Å; D224-L227 HydrophobicContact CB-CB 4.21Å; D224-L227 PolarHBondContact OD1-N 3.45Å; D224-K228 WeakPolarHBondContact O-CA 2.9Å; D224-K228 PolarHBondContact O-N 3.09Å; D224-T229 PolarHBondContact N-O 2.94Å; D224-L231 HydrophobicContact CB-CD1 3.94Å; D224-L231 HydrophobicContact CB-CD2 3.84Å; D224-L231 HydrophobicContact CB-CG 3.86Å |
| 225 | E | 91.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 22 Ų | 22 | 39% | 0.388 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -12.9 | 179.3 | -72.5 | -65.7 | 168.7 | 0 | 0 | 113.6 | F223 K228 R321 H325 | F223-E225 HydrophobicContact CD1-CG 4.39Å; F223-E225 HydrophobicContact CE1-CG 4.38Å; F223-E225 WeakPolarHBondContact CE1-OE1 3.48Å; E225-K228 WeakPolarHBondContact O-CD 3.31Å; E225-K228 WeakPolarHBondContact O-CE 3.35Å; E225-K228 PolarHBondContact O-NZ 3.17Å; E225-K228 IonicContact OE2-NZ 3.54Å; E225-K228 PolarHBondContact OE2-NZ 2.98Å; E225-R321 IonicContact OE1-NH1 3.82Å; E225-H325 IonicContact OE1-NE2 3.65Å; E225-H325 IonicContact OE2-CD2 3.94Å; E225-H325 IonicContact OE2-CE1 2.79Å; E225-H325 IonicContact OE2-NE2 2.74Å; E225-H325 PolarHBondContact OE2-NE2 3.4Å |
| 226 | T | 92.6 | Very high | 96.6 | Very high | 82 Ų | 82 | 18.7 Ų | 18.7 | 50% | 0.503 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -46.7 | 177.5 | -46.9 | 0 | 0 | 0 | 0 | 110.7 | I82 D224 K228 | I82-T226 HydrophobicContact CD1-CG2 3.35Å; I82-T226 HydrophobicContact CG1-CG2 4.43Å; D224-T226 PolarHBondContact O-N 3.19Å; D224-T226 VanDerWaalsContact OD1-CA 3.25Å; D224-T226 WeakPolarHBondContact OD1-CA 3.11Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 PolarHBondContact OD1-N 3.02Å; T226-K228 VanDerWaalsContact C-N 3.34Å |
| 227 | L | 95.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.1 | 178.8 | -65.2 | 179.7 | 0 | 0 | 0 | 113.3 | W41 Y44 I82 W83 I88 D224 T229 L231 | W41-L227 HydrophobicContact CH2-CD2 4.1Å; W41-L227 HydrophobicContact CZ2-CB 3.93Å; W41-L227 HydrophobicContact CZ2-CD2 3.92Å; W41-L227 HydrophobicContact CZ2-CG 4.4Å; W41-L227 PolarHBondContact NE1-O 3.07Å; Y44-L227 HydrophobicContact CE2-CD1 4.13Å; I82-L227 HydrophobicContact CG1-CD2 3.79Å; W83-L227 HydrophobicContact CE3-CD1 3.96Å; W83-L227 HydrophobicContact CE3-CD2 4.01Å; W83-L227 HydrophobicContact CE3-CG 4.22Å; W83-L227 HydrophobicContact CH2-CG 4.39Å; W83-L227 HydrophobicContact CZ3-CD1 3.58Å; W83-L227 HydrophobicContact CZ3-CD2 4.03Å; W83-L227 HydrophobicContact CZ3-CG 3.76Å; I88-L227 HydrophobicContact CD1-CD1 4.48Å; I88-L227 HydrophobicContact CG1-CD1 4.48Å; D224-L227 HydrophobicContact CB-CB 4.21Å; D224-L227 PolarHBondContact OD1-N 3.45Å; L227-T229 VanDerWaalsContact C-N 3.26Å; L227-T229 HydrophobicContact CB-CG2 4.12Å; L227-T229 PolarHBondContact O-N 2.63Å; L227-L231 HydrophobicContact CD1-CD2 3.9Å |
| 228 | K | 94.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 16.3 Ų | 16.3 | 26% | 0.257 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 41.1 | 179.6 | -56.6 | -54.1 | -168.6 | -168 | 0 | 112.9 | F223 D224 E225 T226 H325 | F223-K228 HydrophobicContact CZ-CD 4.5Å; D224-K228 WeakPolarHBondContact O-CA 2.9Å; D224-K228 PolarHBondContact O-N 3.09Å; E225-K228 WeakPolarHBondContact O-CD 3.31Å; E225-K228 WeakPolarHBondContact O-CE 3.35Å; E225-K228 PolarHBondContact O-NZ 3.17Å; E225-K228 IonicContact OE2-NZ 3.54Å; E225-K228 PolarHBondContact OE2-NZ 2.98Å; T226-K228 VanDerWaalsContact C-N 3.34Å; K228-H325 PolarHBondContact NZ-NE2 3.1Å |
| 229 | T | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 171.8 | 178.3 | -163.5 | 0 | 0 | 0 | 0 | 110 | W41 Y44 D224 L227 | W41-T229 HydrophobicContact CZ2-CG2 4.26Å; W41-T229 PolarHBondContact O-OG1 2.75Å; Y44-T229 HydrophobicContact CD1-CG2 4.35Å; Y44-T229 HydrophobicContact CD2-CG2 3.89Å; Y44-T229 HydrophobicContact CG-CG2 3.7Å; D224-T229 PolarHBondContact N-O 2.94Å; L227-T229 VanDerWaalsContact C-N 3.26Å; L227-T229 HydrophobicContact CB-CG2 4.12Å; L227-T229 PolarHBondContact O-N 2.63Å |
| 230 | Y | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 13 Ų | 13 | 0% | 0.004 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.1 | 175.7 | -74.2 | -92.4 | 0 | 0 | 0 | 110.3 | R45 A220 C221 F223 D307 V309 V314 E317 I318 | R45-Y230 WeakPolarHBondContact CB-O 3.35Å; R45-Y230 PolarHBondContact N-O 2.98Å; A220-Y230 HydrophobicContact CB-CD1 3.91Å; A220-Y230 HydrophobicContact CB-CG 3.91Å; C221-Y230 WeakPolarHBondContact O-CD1 3.32Å; F223-Y230 HydrophobicContact CB-CD1 4.03Å; F223-Y230 HydrophobicContact CB-CE1 3.73Å; F223-Y230 HydrophobicContact CD2-CD1 4.48Å; F223-Y230 AromaticContact CD2-CD2 3.8Å; F223-Y230 HydrophobicContact CD2-CD2 3.8Å; F223-Y230 HydrophobicContact CD2-CE1 4.26Å; F223-Y230 AromaticContact CD2-CE2 3.53Å; F223-Y230 HydrophobicContact CD2-CE2 3.53Å; F223-Y230 HydrophobicContact CD2-CG 4.27Å; F223-Y230 AromaticContact CD2-CZ 3.79Å; F223-Y230 HydrophobicContact CE2-CE2 4.24Å; F223-Y230 HydrophobicContact CG-CE1 4.48Å; F223-Y230 HydrophobicContact CG-CE2 4.46Å; Y230-D307 VanDerWaalsContact CE1-O 3.28Å; Y230-D307 WeakPolarHBondContact CE1-O 3.2Å; Y230-D307 PolarHBondContact OH-O 3.27Å; Y230-V309 HydrophobicContact CD1-CG1 4.46Å; Y230-V309 HydrophobicContact CD2-CG1 4.46Å; Y230-V309 HydrophobicContact CE1-CG1 3.74Å; Y230-V309 HydrophobicContact CE2-CG1 3.73Å; Y230-V309 VanDerWaalsContact OH-CG1 3.31Å; Y230-V309 WeakPolarHBondContact OH-CG1 3.42Å; Y230-V314 HydrophobicContact CD2-CG1 3.78Å; Y230-V314 HydrophobicContact CD2-CG2 4.29Å; Y230-V314 HydrophobicContact CE2-CG1 4.25Å; Y230-V314 HydrophobicContact CE2-CG2 4.48Å; Y230-E317 VanDerWaalsContact OH-CG 3.28Å; Y230-E317 WeakPolarHBondContact OH-CG 3.32Å; Y230-I318 HydrophobicContact CD2-CD1 4.48Å; Y230-I318 HydrophobicContact CD2-CG1 4.26Å; Y230-I318 HydrophobicContact CE2-CG1 4.25Å |
| 231 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -20.3 | -173.8 | -59.6 | -178.1 | 0 | 0 | 0 | 114.3 | Y44 A48 I88 N89 P91 C221 F222 D224 L227 | Y44-L231 HydrophobicContact CD1-CD2 4.15Å; Y44-L231 HydrophobicContact CE1-CD2 3.69Å; A48-L231 VanDerWaalsContact CB-O 3.24Å; A48-L231 WeakPolarHBondContact CB-O 3.48Å; I88-L231 HydrophobicContact CD1-CD1 3.73Å; I88-L231 HydrophobicContact CD1-CD2 4.25Å; I88-L231 HydrophobicContact CG1-CD1 3.95Å; I88-L231 HydrophobicContact CG1-CD2 3.92Å; I88-L231 HydrophobicContact CG1-CG 4.5Å; N89-L231 PolarHBondContact ND2-O 3.41Å; P91-L231 HydrophobicContact CG-CD1 4.37Å; C221-L231 PolarHBondContact O-N 3.1Å; F222-L231 HydrophobicContact CB-CB 3.97Å; F222-L231 HydrophobicContact CB-CG 4.46Å; F222-L231 VanDerWaalsContact O-CG 3.3Å; F222-L231 WeakPolarHBondContact O-CG 3.32Å; F222-L231 PolarHBondContact O-N 3.14Å; D224-L231 HydrophobicContact CB-CD1 3.94Å; D224-L231 HydrophobicContact CB-CD2 3.84Å; D224-L231 HydrophobicContact CB-CG 3.86Å; L227-L231 HydrophobicContact CD1-CD2 3.9Å |
| 232 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D49 N89 C221 | D49-G232 WeakPolarHBondContact OD1-CA 3.39Å; N89-G232 WeakPolarHBondContact ND2-CA 3.22Å; C221-G232 PolarHBondContact N-O 3.21Å; C221-G232 PolarHBondContact O-N 3.19Å; C221-G232 VanDerWaalsContact O-O 3.07Å |
| 233 | D | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.5 | 173.8 | -64.7 | -91.7 | 0 | 0 | 0 | 110.7 | R45 H46 D49 E188 Y219 Y235 S236 V237 | R45-D233 VanDerWaalsContact CB-OD2 3.3Å; R45-D233 WeakPolarHBondContact CB-OD2 3.5Å; R45-D233 WeakPolarHBondContact CD-OD1 3.4Å; R45-D233 WeakPolarHBondContact CD-OD2 3.27Å; R45-D233 WeakPolarHBondContact CG-OD2 3.36Å; R45-D233 IonicContact CZ-OD1 2.76Å; R45-D233 IonicContact NE-OD1 3.54Å; R45-D233 PolarHBondContact NE-OD1 3.38Å; R45-D233 IonicContact NE-OD2 3.88Å; R45-D233 PolarHBondContact NE-OD2 3.39Å; H46-D233 IonicContact CD2-OD1 2.7Å; H46-D233 IonicContact CD2-OD2 3.28Å; H46-D233 PolarHBondContact CD2-OD2 2.77Å; H46-D233 IonicContact NE2-OD1 2.73Å; H46-D233 IonicContact NE2-OD2 2.96Å; D49-D233 PolarHBondContact OD1-N 3.18Å; D49-D233 PolarHBondContact OD2-N 3.05Å; E188-D233 VanDerWaalsContact CD-CB 3.49Å; E188-D233 HydrophobicContact CG-CB 3.59Å; E188-D233 WeakPolarHBondContact OE2-CB 3.43Å; Y219-D233 CarbonylContact O-C 3.54Å; Y219-D233 WeakPolarHBondContact O-CA 3.38Å; D233-Y235 PolarHBondContact O-N 2.87Å; D233-S236 WeakPolarHBondContact O-CB 3.3Å; D233-S236 PolarHBondContact O-N 2.94Å; D233-S236 VanDerWaalsContact O-N 3.15Å; D233-V237 WeakPolarHBondContact O-CG1 3.13Å; D233-V237 WeakPolarHBondContact O-CG2 3.36Å; D233-V237 PolarHBondContact O-N 3.15Å |
| 234 | C | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | -162.5 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | Y219 C221 V237 N238 T264 W304 | Y219-C234 VanDerWaalsContact CB-SG 3.54Å; Y219-C234 PolarHBondContact O-N 3.31Å; Y219-C234 PolarHBondContact O-SG 2.81Å; C221-C234 VanDerWaalsContact CB-SG 3.57Å; C234-V237 WeakPolarHBondContact O-CG2 3.26Å; C234-N238 WeakPolarHBondContact O-CB 3.3Å; C234-N238 PolarHBondContact O-N 3Å; C234-N238 PolarHBondContact O-ND2 3.24Å; C234-T264 HydrophobicContact CB-CG2 4.38Å; C234-W304 HydrophobicContact CB-CD2 4.39Å; C234-W304 HydrophobicContact CB-CE3 3.97Å; C234-W304 HydrophobicContact CB-CH2 3.92Å; C234-W304 HydrophobicContact CB-CZ2 4.28Å; C234-W304 HydrophobicContact CB-CZ3 3.73Å; C234-W304 WeakPolarHBondContact SG-CZ3 3.34Å |
| 235 | Y | 98.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.1 | -44.7 | 178.4 | 156.8 | -87.7 | 0 | 0 | 0 | 110.1 | E188 T209 A211 D233 N238 W239 V260 V269 | E188-Y235 HydrophobicContact CB-CD1 3.97Å; E188-Y235 HydrophobicContact CB-CE1 4.41Å; E188-Y235 VanDerWaalsContact OE2-CB 3.31Å; E188-Y235 WeakPolarHBondContact OE2-CB 3.35Å; E188-Y235 PolarHBondContact OE2-N 3.03Å; E188-Y235 VanDerWaalsContact OE2-N 3.17Å; T209-Y235 WeakPolarHBondContact CG2-OH 3.34Å; A211-Y235 VanDerWaalsContact CB-CB 3.45Å; A211-Y235 HydrophobicContact CB-CD1 3.67Å; A211-Y235 HydrophobicContact CB-CD2 4.1Å; A211-Y235 HydrophobicContact CB-CE1 4.45Å; A211-Y235 HydrophobicContact CB-CG 3.47Å; A211-Y235 VanDerWaalsContact CB-CG 3.47Å; D233-Y235 PolarHBondContact O-N 2.87Å; Y235-N238 PolarHBondContact O-N 3.25Å; Y235-W239 AromaticContact CE1-CD1 3.92Å; Y235-W239 PolarHBondContact O-N 3.31Å; Y235-W239 VanDerWaalsContact O-N 3.15Å; Y235-V260 HydrophobicContact CD2-CG1 3.42Å; Y235-V260 VanDerWaalsContact CD2-CG1 3.42Å; Y235-V260 HydrophobicContact CE2-CG1 3.68Å; Y235-V260 HydrophobicContact CG-CG1 4.36Å; Y235-V269 HydrophobicContact CD2-CG1 3.92Å; Y235-V269 HydrophobicContact CD2-CG2 3.96Å; Y235-V269 HydrophobicContact CE2-CG1 3.78Å |
| 236 | S | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -53.6 | -57.2 | 176.8 | -84.3 | 0 | 0 | 0 | 0 | 112.7 | D49 E188 D233 N238 W239 M240 | D49-S236 WeakPolarHBondContact OD2-CB 3.4Å; D49-S236 PolarHBondContact OD2-OG 3.42Å; E188-S236 WeakPolarHBondContact CB-OG 3.29Å; E188-S236 WeakPolarHBondContact CG-OG 3.21Å; E188-S236 PolarHBondContact OE2-N 3.2Å; E188-S236 VanDerWaalsContact OE2-N 3.11Å; D233-S236 WeakPolarHBondContact O-CB 3.3Å; D233-S236 PolarHBondContact O-N 2.94Å; D233-S236 VanDerWaalsContact O-N 3.15Å; S236-N238 PolarHBondContact O-N 2.98Å; S236-W239 PolarHBondContact O-N 2.78Å; S236-W239 PolarHBondContact O-NE1 3.3Å; S236-M240 WeakPolarHBondContact O-CB 3.21Å; S236-M240 VanDerWaalsContact O-CE 3.23Å; S236-M240 WeakPolarHBondContact O-CE 3.43Å; S236-M240 WeakPolarHBondContact O-CG 3.43Å; S236-M240 PolarHBondContact O-N 3.08Å; S236-M240 VanDerWaalsContact O-N 3.09Å |
| 237 | V | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | -179.3 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | F222 D233 C234 M240 E241 | F222-V237 HydrophobicContact CD2-CG1 4.03Å; F222-V237 HydrophobicContact CE2-CB 3.87Å; F222-V237 HydrophobicContact CE2-CG1 3.78Å; F222-V237 HydrophobicContact CE2-CG2 3.84Å; F222-V237 HydrophobicContact CZ-CG2 4.33Å; D233-V237 WeakPolarHBondContact O-CG1 3.13Å; D233-V237 WeakPolarHBondContact O-CG2 3.36Å; D233-V237 PolarHBondContact O-N 3.15Å; C234-V237 WeakPolarHBondContact O-CG2 3.26Å; V237-M240 PolarHBondContact O-N 2.78Å; V237-E241 WeakPolarHBondContact O-CB 3.39Å; V237-E241 VanDerWaalsContact O-CG 3.27Å; V237-E241 WeakPolarHBondContact O-CG 3.37Å; V237-E241 PolarHBondContact O-N 2.94Å |
| 238 | N | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.2 | -44.2 | 179.8 | -78.6 | -30.6 | 0 | 0 | 0 | 112.9 | C234 Y235 S236 D242 V260 T264 M300 W304 | C234-N238 WeakPolarHBondContact O-CB 3.3Å; C234-N238 PolarHBondContact O-N 3Å; C234-N238 PolarHBondContact O-ND2 3.24Å; Y235-N238 PolarHBondContact O-N 3.25Å; S236-N238 PolarHBondContact O-N 2.98Å; N238-D242 WeakPolarHBondContact O-CB 3.38Å; N238-D242 PolarHBondContact O-N 3.49Å; N238-V260 HydrophobicContact CB-CG1 4.21Å; N238-V260 HydrophobicContact CB-CG2 4.46Å; N238-T264 PolarHBondContact ND2-N 2.75Å; N238-T264 PolarHBondContact ND2-OG1 2.96Å; N238-M300 VanDerWaalsContact CA-CE 3.49Å; N238-M300 HydrophobicContact CB-CE 4.14Å; N238-M300 WeakPolarHBondContact O-CE 3.43Å; N238-W304 VanDerWaalsContact ND2-CZ2 3.3Å; N238-W304 WeakPolarHBondContact ND2-CZ2 3.35Å; N238-W304 PolarHBondContact OD1-NE1 3.38Å |
| 239 | W | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -75.4 | -34.8 | 178.7 | 80.2 | -100.9 | 0 | 0 | 0 | 111.4 | A53 I56 F143 Y186 Y235 S236 D242 S243 Q256 V260 F286 | A53-W239 HydrophobicContact CB-CH2 3.85Å; A53-W239 HydrophobicContact CB-CZ2 3.94Å; I56-W239 HydrophobicContact CD1-CH2 4.31Å; I56-W239 HydrophobicContact CD1-CZ3 4.02Å; F143-W239 HydrophobicContact CE1-CH2 4.25Å; F143-W239 HydrophobicContact CZ-CH2 4.06Å; F143-W239 HydrophobicContact CZ-CZ2 4.37Å; Y186-W239 AromaticContact CD2-CD2 3.78Å; Y186-W239 HydrophobicContact CD2-CD2 3.78Å; Y186-W239 AromaticContact CD2-CE2 3.92Å; Y186-W239 HydrophobicContact CD2-CE3 4.2Å; Y186-W239 AromaticContact CD2-CG 3.98Å; Y186-W239 HydrophobicContact CD2-CG 3.98Å; Y186-W239 HydrophobicContact CD2-CZ2 4.47Å; Y186-W239 HydrophobicContact CE2-CB 4.29Å; Y186-W239 AromaticContact CE2-CD2 3.86Å; Y186-W239 HydrophobicContact CE2-CD2 3.86Å; Y186-W239 AromaticContact CE2-CE3 3.95Å; Y186-W239 HydrophobicContact CE2-CE3 3.95Å; Y186-W239 HydrophobicContact CE2-CG 4.01Å; Y235-W239 AromaticContact CE1-CD1 3.92Å; Y235-W239 PolarHBondContact O-N 3.31Å; Y235-W239 VanDerWaalsContact O-N 3.15Å; S236-W239 PolarHBondContact O-N 2.78Å; S236-W239 PolarHBondContact O-NE1 3.3Å; W239-D242 PolarHBondContact O-N 3.37Å; W239-S243 PolarHBondContact O-N 3.16Å; W239-S243 PolarHBondContact O-OG 3.02Å; W239-Q256 HydrophobicContact CB-CG 4.49Å; W239-Q256 PolarHBondContact O-NE2 3.05Å; W239-V260 HydrophobicContact CB-CG2 3.58Å; W239-F286 HydrophobicContact CE3-CE2 4.05Å; W239-F286 HydrophobicContact CE3-CZ 4.15Å; W239-F286 HydrophobicContact CH2-CZ 4.49Å; W239-F286 AromaticContact CZ3-CE2 3.72Å; W239-F286 HydrophobicContact CZ3-CE2 3.72Å; W239-F286 AromaticContact CZ3-CZ 3.73Å; W239-F286 HydrophobicContact CZ3-CZ 3.73Å |
| 240 | M | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -70.1 | -47.4 | -179.4 | -72.9 | -171.3 | -73.7 | 0 | 0 | 112.6 | D49 H52 A53 I56 N89 S236 V237 D242 S243 D244 | D49-M240 HydrophobicContact CB-CE 3.87Å; H52-M240 HydrophobicContact CB-CE 4.27Å; H52-M240 HydrophobicContact CB-SD 3.52Å; H52-M240 VanDerWaalsContact CB-SD 3.52Å; H52-M240 VanDerWaalsContact CG-SD 3.58Å; A53-M240 HydrophobicContact CB-SD 4.19Å; A53-M240 PolarHBondContact N-SD 3.45Å; A53-M240 VanDerWaalsContact N-SD 3.43Å; I56-M240 HydrophobicContact CD1-CB 3.58Å; I56-M240 HydrophobicContact CD1-CG 3.67Å; I56-M240 WeakPolarHBondContact CD1-O 3.33Å; I56-M240 HydrophobicContact CD1-SD 4.47Å; N89-M240 VanDerWaalsContact OD1-CE 3.28Å; N89-M240 WeakPolarHBondContact OD1-CE 3.33Å; S236-M240 WeakPolarHBondContact O-CB 3.21Å; S236-M240 VanDerWaalsContact O-CE 3.23Å; S236-M240 WeakPolarHBondContact O-CE 3.43Å; S236-M240 WeakPolarHBondContact O-CG 3.43Å; S236-M240 PolarHBondContact O-N 3.08Å; S236-M240 VanDerWaalsContact O-N 3.09Å; V237-M240 PolarHBondContact O-N 2.78Å; M240-D242 PolarHBondContact O-N 3.02Å; M240-S243 PolarHBondContact O-N 3.21Å; M240-D244 WeakPolarHBondContact O-CB 3.49Å; M240-D244 PolarHBondContact O-N 3.31Å |
| 241 | E | 95.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.014 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.1 | -24.4 | 178 | -70.4 | -179.8 | -166 | 0 | 0 | 112.3 | H90 F222 V237 R245 Y298 M300 | H90-E241 IonicContact CD2-OE1 3.04Å; H90-E241 PolarHBondContact CD2-OE1 2.93Å; H90-E241 IonicContact CG-OE1 3.03Å; F222-E241 WeakPolarHBondContact CE2-OE1 3.44Å; V237-E241 WeakPolarHBondContact O-CB 3.39Å; V237-E241 VanDerWaalsContact O-CG 3.27Å; V237-E241 WeakPolarHBondContact O-CG 3.37Å; V237-E241 PolarHBondContact O-N 2.94Å; E241-R245 WeakPolarHBondContact O-CG 3.22Å; E241-Y298 HydrophobicContact CB-CD2 3.47Å; E241-Y298 VanDerWaalsContact CB-CD2 3.47Å; E241-Y298 HydrophobicContact CB-CE2 3.87Å; E241-Y298 HydrophobicContact CB-CG 3.86Å; E241-Y298 HydrophobicContact CG-CD1 4.01Å; E241-Y298 HydrophobicContact CG-CD2 3.69Å; E241-Y298 HydrophobicContact CG-CE1 4.16Å; E241-Y298 HydrophobicContact CG-CE2 3.79Å; E241-Y298 HydrophobicContact CG-CG 3.79Å; E241-Y298 VanDerWaalsContact OE2-CB 3.31Å; E241-Y298 WeakPolarHBondContact OE2-CB 3.24Å; E241-M300 HydrophobicContact CB-CE 3.84Å; E241-M300 HydrophobicContact CB-SD 3.48Å; E241-M300 WeakPolarHBondContact CB-SD 3.31Å |
| 242 | D | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.6 | -50.6 | 168.4 | -178.9 | 66.4 | 0 | 0 | 0 | 111.6 | N238 W239 M240 D244 R245 A246 Q256 M300 | N238-D242 WeakPolarHBondContact O-CB 3.38Å; N238-D242 PolarHBondContact O-N 3.49Å; W239-D242 PolarHBondContact O-N 3.37Å; M240-D242 PolarHBondContact O-N 3.02Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.2Å; D242-R245 WeakPolarHBondContact O-CG 3.31Å; D242-R245 PolarHBondContact O-N 2.88Å; D242-R245 VanDerWaalsContact O-N 3.12Å; D242-R245 IonicContact OD1-CZ 3.34Å; D242-R245 VanDerWaalsContact OD1-CZ 3.3Å; D242-R245 IonicContact OD1-NE 3.76Å; D242-R245 IonicContact OD1-NH1 3.72Å; D242-R245 IonicContact OD1-NH2 2.77Å; D242-R245 PolarHBondContact OD1-NH2 2.96Å; D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.45Å; D242-A246 PolarHBondContact O-N 2.77Å; D242-Q256 WeakPolarHBondContact OD2-CG 3.37Å; D242-Q256 PolarHBondContact OD2-NE2 2.92Å; D242-M300 HydrophobicContact CB-CE 4.46Å |
| 243 | S | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.1 | -29.4 | 175.6 | -68.7 | 0 | 0 | 0 | 0 | 114.3 | W239 M240 R245 Q256 F286 | W239-S243 PolarHBondContact O-N 3.16Å; W239-S243 PolarHBondContact O-OG 3.02Å; M240-S243 PolarHBondContact O-N 3.21Å; S243-R245 PolarHBondContact O-N 3.21Å; S243-Q256 PolarHBondContact OG-NE2 3.05Å; S243-F286 WeakPolarHBondContact OG-CE2 3.36Å |
| 244 | D | 94.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21.3 | 175.5 | -115.2 | -1.2 | 0 | 0 | 0 | 112.4 | H52 K59 M240 D242 P296 Y298 | H52-D244 IonicContact CE1-OD2 3.98Å; H52-D244 IonicContact NE2-OD2 3.91Å; H52-D244 PolarHBondContact NE2-OD2 3.15Å; K59-D244 IonicContact NZ-OD1 3.47Å; K59-D244 PolarHBondContact NZ-OD1 2.9Å; M240-D244 WeakPolarHBondContact O-CB 3.49Å; M240-D244 PolarHBondContact O-N 3.31Å; D242-D244 VanDerWaalsContact C-N 3.31Å; D242-D244 PolarHBondContact O-N 3.2Å; D244-P296 HydrophobicContact CB-CG 4.4Å; D244-P296 WeakPolarHBondContact O-CD 3.31Å; D244-Y298 HydrophobicContact CB-CE2 3.78Å; D244-Y298 WeakPolarHBondContact OD2-CE2 3.5Å; D244-Y298 PolarHBondContact OD2-OH 2.81Å |
| 245 | R | 91 | Very high | 96.2 | Very high | 100 Ų | 100 | 30 Ų | 30 | 38% | 0.377 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -24 | -175.5 | 68.2 | -178.6 | 171.4 | 81.9 | 6.3 | 114.7 | E241 D242 S243 | E241-R245 WeakPolarHBondContact O-CG 3.22Å; D242-R245 WeakPolarHBondContact O-CG 3.31Å; D242-R245 PolarHBondContact O-N 2.88Å; D242-R245 VanDerWaalsContact O-N 3.12Å; D242-R245 IonicContact OD1-CZ 3.34Å; D242-R245 VanDerWaalsContact OD1-CZ 3.3Å; D242-R245 IonicContact OD1-NE 3.76Å; D242-R245 IonicContact OD1-NH1 3.72Å; D242-R245 IonicContact OD1-NH2 2.77Å; D242-R245 PolarHBondContact OD1-NH2 2.96Å; S243-R245 PolarHBondContact O-N 3.21Å |
| 246 | A | 90.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 21% | 0.207 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -77.6 | 161.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D242 L248 E251 | D242-A246 VanDerWaalsContact O-CB 3.31Å; D242-A246 WeakPolarHBondContact O-CB 3.45Å; D242-A246 PolarHBondContact O-N 2.77Å; A246-L248 HydrophobicContact CB-CD2 4.29Å; A246-E251 HydrophobicContact CB-CB 4.37Å; A246-E251 WeakPolarHBondContact CB-OE2 3.41Å |
| 247 | N | 92.7 | Very high | 96.2 | Very high | 58 Ų | 58 | 30.5 Ų | 30.5 | 31% | 0.31 | 15% | 0.147 | S | C | . | . | trans | -86.8 | 106.1 | 162.6 | -177.4 | -1.7 | 0 | 0 | 0 | 108.4 | E249 E250 E251 | N247-E249 PolarHBondContact O-N 2.88Å; N247-E249 PolarHBondContact OD1-N 3.21Å; N247-E249 VanDerWaalsContact OD1-N 3.15Å; N247-E250 HydrophobicContact CB-CB 4.24Å; N247-E250 HydrophobicContact CB-CG 4.4Å; N247-E250 VanDerWaalsContact ND2-CD 3.26Å; N247-E250 WeakPolarHBondContact ND2-CG 3.24Å; N247-E250 PolarHBondContact ND2-OE1 3.37Å; N247-E250 PolarHBondContact O-N 3.42Å; N247-E251 PolarHBondContact O-N 3.42Å | ||
| 248 | L | 95.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.3 | -175.5 | -52.5 | -169.9 | 0 | 0 | 0 | 113.7 | H60 A246 E250 P281 L282 S283 F286 | H60-L248 HydrophobicContact CB-CD1 4.32Å; H60-L248 VanDerWaalsContact CD2-CD1 3.48Å; H60-L248 WeakPolarHBondContact CD2-CD1 3.43Å; A246-L248 HydrophobicContact CB-CD2 4.29Å; L248-E250 VanDerWaalsContact C-N 3.33Å; L248-P281 WeakPolarHBondContact O-CB 3.3Å; L248-L282 HydrophobicContact CB-CB 4.01Å; L248-L282 HydrophobicContact CD2-CB 3.98Å; L248-L282 HydrophobicContact CD2-CD1 3.7Å; L248-L282 HydrophobicContact CG-CB 4.45Å; L248-L282 PolarHBondContact O-N 3.33Å; L248-S283 VanDerWaalsContact O-CB 3.24Å; L248-S283 WeakPolarHBondContact O-CB 3.5Å; L248-S283 PolarHBondContact O-N 3.06Å; L248-S283 PolarHBondContact O-OG 2.92Å; L248-F286 HydrophobicContact CD1-CB 3.72Å; L248-F286 HydrophobicContact CD1-CD2 4.2Å |
| 249 | E | 95.3 | Very high | 96.3 | Very high | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -18.7 | 171.5 | -65.5 | -169.5 | 116.1 | 0 | 0 | 112.6 | N247 S283 N288 | N247-E249 PolarHBondContact O-N 2.88Å; N247-E249 PolarHBondContact OD1-N 3.21Å; N247-E249 VanDerWaalsContact OD1-N 3.15Å; E249-S283 WeakPolarHBondContact CA-OG 3.49Å; E249-N288 HydrophobicContact CG-CB 4.12Å |
| 250 | E | 95.9 | Very high | 96.3 | Very high | 146 Ų | 146 | 38.1 Ų | 38.1 | 68% | 0.682 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -41.2 | -179.3 | -71 | 175.1 | -153.4 | 0 | 0 | 112.8 | N247 L248 T252 Q255 | N247-E250 HydrophobicContact CB-CB 4.24Å; N247-E250 HydrophobicContact CB-CG 4.4Å; N247-E250 VanDerWaalsContact ND2-CD 3.26Å; N247-E250 WeakPolarHBondContact ND2-CG 3.24Å; N247-E250 PolarHBondContact ND2-OE1 3.37Å; N247-E250 PolarHBondContact O-N 3.42Å; L248-E250 VanDerWaalsContact C-N 3.33Å; E250-T252 PolarHBondContact O-N 2.98Å; E250-Q255 PolarHBondContact O-OE1 2.7Å |
| 251 | E | 97.4 | Very high | 96.2 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | trans | -75.3 | 122.7 | -178.4 | -175.7 | 166.3 | -130.5 | 0 | 0 | 110.9 | A246 N247 Q255 Q256 P281 L282 | A246-E251 HydrophobicContact CB-CB 4.37Å; A246-E251 WeakPolarHBondContact CB-OE2 3.41Å; N247-E251 PolarHBondContact O-N 3.42Å; E251-Q255 VanDerWaalsContact CA-OE1 3.28Å; E251-Q255 HydrophobicContact CG-CB 3.93Å; E251-Q256 HydrophobicContact CG-CB 4.5Å; E251-P281 CarbonylContact O-C 3.57Å; E251-P281 WeakPolarHBondContact O-CA 3.47Å; E251-L282 HydrophobicContact CB-CD1 4.16Å; E251-L282 HydrophobicContact CG-CD1 3.96Å; E251-L282 WeakPolarHBondContact O-CG 3.32Å; E251-L282 PolarHBondContact O-N 2.96Å | ||
| 252 | T | 98.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -82.4 | 158.1 | 175.3 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | E250 E254 Q255 Q256 E279 L280 | E250-T252 PolarHBondContact O-N 2.98Å; T252-E254 PolarHBondContact O-N 2.8Å; T252-Q255 WeakPolarHBondContact O-CB 3.43Å; T252-Q255 PolarHBondContact O-N 3.15Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.31Å; T252-Q255 PolarHBondContact OG1-N 3.3Å; T252-Q255 VanDerWaalsContact OG1-N 3.16Å; T252-Q256 PolarHBondContact O-N 3.04Å; T252-E279 WeakPolarHBondContact CG2-O 3.24Å; T252-L280 CarbonylContact C-O 3.59Å; T252-L280 VanDerWaalsContact CA-O 3.25Å; T252-L280 WeakPolarHBondContact CA-O 3.1Å; T252-L280 WeakPolarHBondContact CB-O 3.46Å |
| 253 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.8 | -40.6 | 173.5 | -66.2 | 157.3 | 0 | 0 | 0 | 110.9 | L184 Y207 Q255 Q256 F257 V277 A278 L280 L282 F285 | L184-I253 HydrophobicContact CD1-CD1 4.21Å; L184-I253 HydrophobicContact CD1-CG2 3.99Å; L184-I253 HydrophobicContact CD2-CD1 4.07Å; L184-I253 HydrophobicContact CD2-CG1 4.22Å; Y207-I253 HydrophobicContact CD1-CG2 3.97Å; Y207-I253 HydrophobicContact CE1-CG2 3.55Å; I253-Q255 VanDerWaalsContact C-N 3.34Å; I253-Q255 PolarHBondContact O-N 3.15Å; I253-Q256 PolarHBondContact O-N 3.38Å; I253-F257 WeakPolarHBondContact O-CB 3.47Å; I253-F257 PolarHBondContact O-N 3.12Å; I253-V277 WeakPolarHBondContact CD1-O 3.35Å; I253-A278 HydrophobicContact CB-CB 4.47Å; I253-A278 HydrophobicContact CG2-CB 4.23Å; I253-A278 PolarHBondContact N-O 2.82Å; I253-L280 HydrophobicContact CD1-CB 4.37Å; I253-L280 PolarHBondContact N-O 3.07Å; I253-L282 HydrophobicContact CB-CD2 4.49Å; I253-L282 HydrophobicContact CG1-CD2 3.83Å; I253-F285 HydrophobicContact CD1-CD2 3.7Å; I253-F285 HydrophobicContact CD1-CE2 3.56Å |
| 254 | E | 98.7 | Very high | 96.2 | Very high | 45 Ų | 45 | 53 Ų | 53 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -34.3 | 176.4 | 176.4 | 65.8 | -170.1 | 0 | 0 | 112.5 | T252 K258 Q271 A278 | T252-E254 PolarHBondContact O-N 2.8Å; E254-K258 VanDerWaalsContact O-CG 3.31Å; E254-K258 WeakPolarHBondContact O-CG 3.44Å; E254-K258 PolarHBondContact O-N 3.21Å; E254-K258 VanDerWaalsContact O-N 3.07Å; E254-K258 WeakPolarHBondContact OE1-CE 3.32Å; E254-K258 IonicContact OE1-NZ 3.97Å; E254-K258 PolarHBondContact OE1-NZ 2.91Å; E254-Q271 PolarHBondContact OE2-NE2 3.26Å; E254-Q271 PolarHBondContact OE2-OE1 3.4Å; E254-Q271 VanDerWaalsContact OE2-OE1 3.07Å; E254-A278 HydrophobicContact CB-CB 3.97Å; E254-A278 VanDerWaalsContact CB-O 3.27Å; E254-A278 WeakPolarHBondContact CB-O 3.45Å; E254-A278 PolarHBondContact N-O 2.84Å |
| 255 | Q | 98.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 57.9 Ų | 57.9 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 174.5 | -74.9 | 170.1 | -20.6 | 0 | 0 | 110.7 | E250 E251 T252 I253 F257 K258 V259 | E250-Q255 PolarHBondContact O-OE1 2.7Å; E251-Q255 VanDerWaalsContact CA-OE1 3.28Å; E251-Q255 HydrophobicContact CG-CB 3.93Å; T252-Q255 WeakPolarHBondContact O-CB 3.43Å; T252-Q255 PolarHBondContact O-N 3.15Å; T252-Q255 WeakPolarHBondContact OG1-CG 3.31Å; T252-Q255 PolarHBondContact OG1-N 3.3Å; T252-Q255 VanDerWaalsContact OG1-N 3.16Å; I253-Q255 VanDerWaalsContact C-N 3.34Å; I253-Q255 PolarHBondContact O-N 3.15Å; Q255-F257 VanDerWaalsContact C-N 3.34Å; Q255-F257 PolarHBondContact O-N 3.11Å; Q255-K258 WeakPolarHBondContact O-CB 3.46Å; Q255-K258 PolarHBondContact O-N 3.17Å; Q255-K258 VanDerWaalsContact O-N 3.17Å; Q255-V259 WeakPolarHBondContact O-CG2 3.42Å; Q255-V259 PolarHBondContact O-N 2.73Å |
| 256 | Q | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 173.7 | 172.5 | 165.4 | 95.2 | 0 | 0 | 111.4 | Y186 W239 D242 S243 E251 T252 I253 K258 V259 V260 L282 | Y186-Q256 VanDerWaalsContact CE2-OE1 3.31Å; Y186-Q256 PolarHBondContact OH-OE1 3.43Å; W239-Q256 HydrophobicContact CB-CG 4.49Å; W239-Q256 PolarHBondContact O-NE2 3.05Å; D242-Q256 WeakPolarHBondContact OD2-CG 3.37Å; D242-Q256 PolarHBondContact OD2-NE2 2.92Å; S243-Q256 PolarHBondContact OG-NE2 3.05Å; E251-Q256 HydrophobicContact CG-CB 4.5Å; T252-Q256 PolarHBondContact O-N 3.04Å; I253-Q256 PolarHBondContact O-N 3.38Å; Q256-K258 VanDerWaalsContact C-N 3.28Å; Q256-K258 PolarHBondContact O-N 3.03Å; Q256-V259 WeakPolarHBondContact O-CB 3.32Å; Q256-V259 PolarHBondContact O-N 3.39Å; Q256-V259 VanDerWaalsContact O-N 3.09Å; Q256-V260 HydrophobicContact CG-CG2 3.9Å; Q256-V260 WeakPolarHBondContact O-CB 2.94Å; Q256-V260 VanDerWaalsContact O-CG2 3.26Å; Q256-V260 WeakPolarHBondContact O-CG2 3.36Å; Q256-V260 PolarHBondContact O-N 3.05Å; Q256-L282 HydrophobicContact CB-CD1 4.16Å; Q256-L282 HydrophobicContact CB-CD2 4.31Å |
| 257 | F | 98.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.057 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.4 | -44.8 | 176 | 167.6 | -104.1 | 0 | 0 | 0 | 111.6 | I253 Q255 V260 K261 V269 Q271 | I253-F257 WeakPolarHBondContact O-CB 3.47Å; I253-F257 PolarHBondContact O-N 3.12Å; Q255-F257 VanDerWaalsContact C-N 3.34Å; Q255-F257 PolarHBondContact O-N 3.11Å; F257-V260 PolarHBondContact O-N 3.33Å; F257-K261 HydrophobicContact CE1-CD 4.02Å; F257-K261 HydrophobicContact CE2-CD 4.4Å; F257-K261 HydrophobicContact CZ-CD 3.72Å; F257-K261 WeakPolarHBondContact O-CB 3.37Å; F257-K261 PolarHBondContact O-N 3.49Å; F257-V269 HydrophobicContact CD2-CG1 4.14Å; F257-V269 HydrophobicContact CE2-CG1 3.89Å; F257-Q271 HydrophobicContact CD2-CB 4.22Å; F257-Q271 HydrophobicContact CE1-CB 4.48Å; F257-Q271 VanDerWaalsContact CE1-CD 3.46Å; F257-Q271 HydrophobicContact CE1-CG 4Å; F257-Q271 HydrophobicContact CE2-CB 3.8Å; F257-Q271 HydrophobicContact CE2-CG 4.15Å; F257-Q271 HydrophobicContact CZ-CB 3.94Å; F257-Q271 HydrophobicContact CZ-CG 3.74Å |
| 258 | K | 98.3 | Very high | 96.8 | Very high | 117 Ų | 117 | 56.9 Ų | 56.9 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.9 | -74.9 | 169.1 | -176.6 | 154.4 | 0 | 112.5 | E254 Q255 Q256 K262 | E254-K258 VanDerWaalsContact O-CG 3.31Å; E254-K258 WeakPolarHBondContact O-CG 3.44Å; E254-K258 PolarHBondContact O-N 3.21Å; E254-K258 VanDerWaalsContact O-N 3.07Å; E254-K258 WeakPolarHBondContact OE1-CE 3.32Å; E254-K258 IonicContact OE1-NZ 3.97Å; E254-K258 PolarHBondContact OE1-NZ 2.91Å; Q255-K258 WeakPolarHBondContact O-CB 3.46Å; Q255-K258 PolarHBondContact O-N 3.17Å; Q255-K258 VanDerWaalsContact O-N 3.17Å; Q256-K258 VanDerWaalsContact C-N 3.28Å; Q256-K258 PolarHBondContact O-N 3.03Å; K258-K262 VanDerWaalsContact O-CB 3.32Å; K258-K262 WeakPolarHBondContact O-CB 3.44Å; K258-K262 PolarHBondContact O-N 2.85Å; K258-K262 VanDerWaalsContact O-N 3.12Å |
| 259 | V | 96.5 | Very high | 97 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -55.8 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | Q255 Q256 K261 K262 E263 | Q255-V259 WeakPolarHBondContact O-CG2 3.42Å; Q255-V259 PolarHBondContact O-N 2.73Å; Q256-V259 WeakPolarHBondContact O-CB 3.32Å; Q256-V259 PolarHBondContact O-N 3.39Å; Q256-V259 VanDerWaalsContact O-N 3.09Å; V259-K261 VanDerWaalsContact C-N 3.34Å; V259-K261 PolarHBondContact O-N 2.76Å; V259-K262 WeakPolarHBondContact O-CB 3.28Å; V259-K262 PolarHBondContact O-N 2.87Å; V259-E263 HydrophobicContact CG1-CG 4.26Å; V259-E263 WeakPolarHBondContact O-CG 3.37Å; V259-E263 PolarHBondContact O-N 3.12Å |
| 260 | V | 97.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | -176.6 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | Y235 N238 W239 Q256 F257 K262 E263 T264 V269 | Y235-V260 HydrophobicContact CD2-CG1 3.42Å; Y235-V260 VanDerWaalsContact CD2-CG1 3.42Å; Y235-V260 HydrophobicContact CE2-CG1 3.68Å; Y235-V260 HydrophobicContact CG-CG1 4.36Å; N238-V260 HydrophobicContact CB-CG1 4.21Å; N238-V260 HydrophobicContact CB-CG2 4.46Å; W239-V260 HydrophobicContact CB-CG2 3.58Å; Q256-V260 HydrophobicContact CG-CG2 3.9Å; Q256-V260 WeakPolarHBondContact O-CB 2.94Å; Q256-V260 VanDerWaalsContact O-CG2 3.26Å; Q256-V260 WeakPolarHBondContact O-CG2 3.36Å; Q256-V260 PolarHBondContact O-N 3.05Å; F257-V260 PolarHBondContact O-N 3.33Å; V260-K262 VanDerWaalsContact C-N 3.32Å; V260-K262 PolarHBondContact O-N 2.75Å; V260-E263 PolarHBondContact O-N 3.17Å; V260-T264 WeakPolarHBondContact O-CB 3.49Å; V260-T264 PolarHBondContact O-N 3.13Å; V260-T264 PolarHBondContact O-OG1 2.96Å; V260-V269 HydrophobicContact CG1-CG1 4.48Å; V260-V269 HydrophobicContact CG1-CG2 4.44Å |
| 261 | K | 97.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 175.4 | 179.6 | 177.3 | 179.3 | -177.3 | 0 | 112.8 | F257 V259 V269 | F257-K261 HydrophobicContact CE1-CD 4.02Å; F257-K261 HydrophobicContact CE2-CD 4.4Å; F257-K261 HydrophobicContact CZ-CD 3.72Å; F257-K261 WeakPolarHBondContact O-CB 3.37Å; F257-K261 PolarHBondContact O-N 3.49Å; V259-K261 VanDerWaalsContact C-N 3.34Å; V259-K261 PolarHBondContact O-N 2.76Å; K261-V269 HydrophobicContact CB-CB 3.97Å; K261-V269 HydrophobicContact CB-CG1 4.44Å; K261-V269 HydrophobicContact CG-CB 4.19Å |
| 262 | K | 95.8 | Very high | 97.3 | Very high | 159 Ų | 159 | 52.4 Ų | 52.4 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -72.6 | -43.8 | 177.9 | 179.3 | -170.4 | 170.2 | -158.4 | 0 | 111.3 | K258 V259 V260 | K258-K262 VanDerWaalsContact O-CB 3.32Å; K258-K262 WeakPolarHBondContact O-CB 3.44Å; K258-K262 PolarHBondContact O-N 2.85Å; K258-K262 VanDerWaalsContact O-N 3.12Å; V259-K262 WeakPolarHBondContact O-CB 3.28Å; V259-K262 PolarHBondContact O-N 2.87Å; V260-K262 VanDerWaalsContact C-N 3.32Å; V260-K262 PolarHBondContact O-N 2.75Å |
| 263 | E | 94.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 51.2 Ų | 51.2 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76 | -37.4 | -175.3 | -62.2 | -56 | 140 | 0 | 0 | 111.7 | V259 V260 N265 M300 G301 W304 | V259-E263 HydrophobicContact CG1-CG 4.26Å; V259-E263 WeakPolarHBondContact O-CG 3.37Å; V259-E263 PolarHBondContact O-N 3.12Å; V260-E263 PolarHBondContact O-N 3.17Å; E263-N265 VanDerWaalsContact C-N 3.27Å; E263-N265 PolarHBondContact O-N 3.05Å; E263-M300 HydrophobicContact CG-CB 4.32Å; E263-G301 WeakPolarHBondContact OE2-CA 3.44Å; E263-W304 WeakPolarHBondContact O-CZ2 3.44Å |
| 264 | T | 95.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | trans | -74.2 | 75.6 | 176.7 | -46.4 | 0 | 0 | 0 | 0 | 110.9 | C234 N238 V260 T266 V269 | C234-T264 HydrophobicContact CB-CG2 4.38Å; N238-T264 PolarHBondContact ND2-N 2.75Å; N238-T264 PolarHBondContact ND2-OG1 2.96Å; V260-T264 WeakPolarHBondContact O-CB 3.49Å; V260-T264 PolarHBondContact O-N 3.13Å; V260-T264 PolarHBondContact O-OG1 2.96Å; T264-T266 VanDerWaalsContact C-N 3.29Å; T264-T266 PolarHBondContact O-N 3.1Å; T264-V269 HydrophobicContact CG2-CG2 3.99Å | ||
| 265 | N | 92.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 8.5 | -174.1 | 66.7 | 0.6 | 0 | 0 | 0 | 115.2 | E263 W304 | E263-N265 VanDerWaalsContact C-N 3.27Å; E263-N265 PolarHBondContact O-N 3.05Å; N265-W304 WeakPolarHBondContact OD1-CH2 3.44Å |
| 266 | T | 95 | Very high | 97.1 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 21% | 0.209 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -17.1 | -179.4 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | Y219 T264 W304 A308 | Y219-T266 HydrophobicContact CD1-CG2 4.02Å; Y219-T266 HydrophobicContact CE1-CG2 4.4Å; Y219-T266 WeakPolarHBondContact CE2-O 3.16Å; Y219-T266 HydrophobicContact CG-CG2 4.17Å; T264-T266 VanDerWaalsContact C-N 3.29Å; T264-T266 PolarHBondContact O-N 3.1Å; T266-W304 HydrophobicContact CG2-CH2 4.29Å; T266-W304 HydrophobicContact CG2-CZ3 3.81Å; T266-A308 HydrophobicContact CG2-CB 3.95Å |
| 267 | S | 97.2 | Very high | 97.1 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -146.4 | 173.7 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | A211 | A211-S267 WeakPolarHBondContact O-CB 3.46Å; A211-S267 PolarHBondContact O-OG 2.79Å |
| 268 | H | 98.1 | Very high | 97.1 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 54% | 0.537 | 25% | 0.253 | S | S | . | . | trans | -99.7 | 98.6 | 176.7 | -59.2 | 83.1 | 0 | 0 | 0 | 109.6 | A212 N213 E216 K270 | A212-H268 CarbonylContact C-O 3.54Å; N213-H268 HydrophobicContact CB-CB 4.31Å; N213-H268 PolarHBondContact N-O 2.98Å; N213-H268 VanDerWaalsContact N-O 3.17Å; E216-H268 WeakPolarHBondContact OE1-CA 3.2Å; E216-H268 VanDerWaalsContact OE1-CB 3.29Å; E216-H268 WeakPolarHBondContact OE1-CB 3.3Å; E216-H268 IonicContact OE1-CG 3.87Å; E216-H268 PolarHBondContact OE1-N 2.95Å; E216-H268 IonicContact OE1-ND1 3.3Å; E216-H268 PolarHBondContact OE1-ND1 3.36Å; E216-H268 IonicContact OE2-CE1 3.77Å; E216-H268 IonicContact OE2-CG 3.17Å; E216-H268 IonicContact OE2-ND1 3.9Å; E216-H268 PolarHBondContact OE2-ND1 2.7Å; H268-K270 WeakPolarHBondContact O-CG 3.42Å; H268-K270 PolarHBondContact O-N 2.66Å | ||
| 269 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | trans | -61.8 | 130.1 | 172 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | T210 Y235 F257 V260 K261 T264 | T210-V269 VanDerWaalsContact O-CA 3.27Å; T210-V269 WeakPolarHBondContact O-CA 3.3Å; T210-V269 WeakPolarHBondContact O-CG1 3.47Å; Y235-V269 HydrophobicContact CD2-CG1 3.92Å; Y235-V269 HydrophobicContact CD2-CG2 3.96Å; Y235-V269 HydrophobicContact CE2-CG1 3.78Å; F257-V269 HydrophobicContact CD2-CG1 4.14Å; F257-V269 HydrophobicContact CE2-CG1 3.89Å; V260-V269 HydrophobicContact CG1-CG1 4.48Å; V260-V269 HydrophobicContact CG1-CG2 4.44Å; K261-V269 HydrophobicContact CB-CB 3.97Å; K261-V269 HydrophobicContact CB-CG1 4.44Å; K261-V269 HydrophobicContact CG-CB 4.19Å; T264-V269 HydrophobicContact CG2-CG2 3.99Å | ||
| 270 | K | 98.4 | Very high | 97.2 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 40% | 0.404 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 163.3 | -177.4 | -54.7 | -68.2 | -88.1 | -172.3 | 0 | 111.2 | T209 T210 N213 H268 Y272 | T209-K270 WeakPolarHBondContact CA-O 3.23Å; T209-K270 WeakPolarHBondContact CB-O 3.35Å; T209-K270 PolarHBondContact OG1-O 3.15Å; T210-K270 PolarHBondContact N-O 2.93Å; T210-K270 PolarHBondContact O-N 3.2Å; N213-K270 HydrophobicContact CB-CD 4.23Å; N213-K270 HydrophobicContact CB-CG 4.01Å; H268-K270 WeakPolarHBondContact O-CG 3.42Å; H268-K270 PolarHBondContact O-N 2.66Å; K270-Y272 HydrophobicContact CB-CD2 4.39Å; K270-Y272 HydrophobicContact CB-CE2 3.45Å; K270-Y272 VanDerWaalsContact CB-CE2 3.45Å; K270-Y272 HydrophobicContact CG-CE2 4.44Å |
| 271 | Q | 98.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.7 | 172.7 | 65.2 | -178.5 | -2.2 | 0 | 0 | 110.8 | Y207 A208 E254 F257 L275 | Y207-Q271 HydrophobicContact CE2-CB 3.79Å; Y207-Q271 HydrophobicContact CE2-CG 4.4Å; Y207-Q271 VanDerWaalsContact CE2-OE1 3.26Å; Y207-Q271 WeakPolarHBondContact OH-CB 3.21Å; Y207-Q271 PolarHBondContact OH-OE1 3.48Å; A208-Q271 CarbonylContact O-C 3.59Å; A208-Q271 VanDerWaalsContact O-CA 3.24Å; A208-Q271 WeakPolarHBondContact O-CA 3.46Å; E254-Q271 PolarHBondContact OE2-NE2 3.26Å; E254-Q271 PolarHBondContact OE2-OE1 3.4Å; E254-Q271 VanDerWaalsContact OE2-OE1 3.07Å; F257-Q271 HydrophobicContact CD2-CB 4.22Å; F257-Q271 HydrophobicContact CE1-CB 4.48Å; F257-Q271 VanDerWaalsContact CE1-CD 3.46Å; F257-Q271 HydrophobicContact CE1-CG 4Å; F257-Q271 HydrophobicContact CE2-CB 3.8Å; F257-Q271 HydrophobicContact CE2-CG 4.15Å; F257-Q271 HydrophobicContact CZ-CB 3.94Å; F257-Q271 HydrophobicContact CZ-CG 3.74Å; Q271-L275 HydrophobicContact CG-CD2 3.98Å |
| 272 | Y | 98.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 166.8 | -173 | -56.2 | -89.2 | 0 | 0 | 0 | 110.9 | G193 F196 H197 A208 T210 K270 | G193-Y272 WeakPolarHBondContact CA-OH 3.34Å; G193-Y272 PolarHBondContact O-OH 3.21Å; F196-Y272 HydrophobicContact CB-CD1 4.02Å; F196-Y272 HydrophobicContact CB-CD2 3.78Å; F196-Y272 HydrophobicContact CB-CE2 4.41Å; F196-Y272 HydrophobicContact CB-CG 3.56Å; F196-Y272 HydrophobicContact CD2-CD2 4.23Å; F196-Y272 HydrophobicContact CG-CD2 4.39Å; H197-Y272 HydrophobicContact CB-CE1 3.87Å; A208-Y272 PolarHBondContact N-O 2.9Å; A208-Y272 PolarHBondContact O-N 2.95Å; T210-Y272 HydrophobicContact CG2-CD2 4.07Å; T210-Y272 HydrophobicContact CG2-CE2 3.84Å; K270-Y272 HydrophobicContact CB-CD2 4.39Å; K270-Y272 HydrophobicContact CB-CE2 3.45Å; K270-Y272 VanDerWaalsContact CB-CE2 3.45Å; K270-Y272 HydrophobicContact CG-CE2 4.44Å |
| 273 | G | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81 | -147.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P201 I206 L275 | P201-G273 WeakPolarHBondContact O-CA 3.21Å; I206-G273 CarbonylContact O-C 3.49Å; I206-G273 WeakPolarHBondContact O-CA 3.35Å; G273-L275 PolarHBondContact O-N 3.31Å |
| 274 | D | 97.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | trans | -80.2 | 103.1 | -177.2 | -169.6 | -19 | 0 | 0 | 0 | 111.1 | R202 I206 S276 V277 | R202-D274 WeakPolarHBondContact O-CA 3.38Å; R202-D274 VanDerWaalsContact O-CB 3.29Å; R202-D274 WeakPolarHBondContact O-CB 3.2Å; I206-D274 PolarHBondContact O-N 3.16Å; D274-S276 VanDerWaalsContact CG-OG 3.28Å; D274-S276 PolarHBondContact O-N 3.17Å; D274-S276 VanDerWaalsContact OD1-CB 3.29Å; D274-S276 WeakPolarHBondContact OD1-CB 3.24Å; D274-S276 PolarHBondContact OD1-N 3.39Å; D274-S276 PolarHBondContact OD1-OG 2.85Å; D274-S276 PolarHBondContact OD2-OG 3.3Å; D274-V277 HydrophobicContact CB-CG2 4.19Å; D274-V277 PolarHBondContact O-N 2.94Å | ||
| 275 | L | 97.5 | Very high | 97.7 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 44% | 0.44 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.1 | -178.5 | -59 | -177.5 | 0 | 0 | 0 | 113.3 | Y207 Q271 G273 V277 A278 | Y207-L275 HydrophobicContact CD2-CD2 4.1Å; Y207-L275 HydrophobicContact CE2-CD2 3.9Å; Q271-L275 HydrophobicContact CG-CD2 3.98Å; G273-L275 PolarHBondContact O-N 3.31Å; L275-V277 PolarHBondContact O-N 2.94Å; L275-A278 VanDerWaalsContact O-CB 3.27Å; L275-A278 WeakPolarHBondContact O-CB 3.49Å; L275-A278 PolarHBondContact O-N 3.4Å; L275-A278 VanDerWaalsContact O-N 3.09Å |
| 276 | S | 97.7 | Very high | 98 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -28.6 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 111.9 | D274 A278 E279 | D274-S276 VanDerWaalsContact CG-OG 3.28Å; D274-S276 PolarHBondContact O-N 3.17Å; D274-S276 VanDerWaalsContact OD1-CB 3.29Å; D274-S276 WeakPolarHBondContact OD1-CB 3.24Å; D274-S276 PolarHBondContact OD1-N 3.39Å; D274-S276 PolarHBondContact OD1-OG 2.85Å; D274-S276 PolarHBondContact OD2-OG 3.3Å; S276-A278 PolarHBondContact O-N 2.84Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.48Å |
| 277 | V | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -63.3 | -31.7 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | K182 I253 D274 L275 E279 L280 F285 | K182-V277 HydrophobicContact CD-CG2 4.38Å; K182-V277 HydrophobicContact CG-CG2 4.42Å; I253-V277 WeakPolarHBondContact CD1-O 3.35Å; D274-V277 HydrophobicContact CB-CG2 4.19Å; D274-V277 PolarHBondContact O-N 2.94Å; L275-V277 PolarHBondContact O-N 2.94Å; V277-E279 PolarHBondContact O-N 2.94Å; V277-L280 HydrophobicContact CG1-CD1 4.5Å; V277-L280 WeakPolarHBondContact O-CB 3.5Å; V277-L280 PolarHBondContact O-N 3.24Å; V277-F285 HydrophobicContact CG1-CE2 4.04Å; V277-F285 HydrophobicContact CG1-CZ 3.79Å |
| 278 | A | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.3 | -15.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y207 I253 E254 L275 S276 L280 | Y207-A278 HydrophobicContact CD2-CB 3.77Å; Y207-A278 HydrophobicContact CE2-CB 3.51Å; Y207-A278 HydrophobicContact CG-CB 4.44Å; I253-A278 HydrophobicContact CB-CB 4.47Å; I253-A278 HydrophobicContact CG2-CB 4.23Å; I253-A278 PolarHBondContact N-O 2.82Å; E254-A278 HydrophobicContact CB-CB 3.97Å; E254-A278 VanDerWaalsContact CB-O 3.27Å; E254-A278 WeakPolarHBondContact CB-O 3.45Å; E254-A278 PolarHBondContact N-O 2.84Å; L275-A278 VanDerWaalsContact O-CB 3.27Å; L275-A278 WeakPolarHBondContact O-CB 3.49Å; L275-A278 PolarHBondContact O-N 3.4Å; L275-A278 VanDerWaalsContact O-N 3.09Å; S276-A278 PolarHBondContact O-N 2.84Å; A278-L280 PolarHBondContact O-N 3.2Å |
| 279 | E | 98.2 | Very high | 97.6 | Very high | 147 Ų | 147 | 40.2 Ų | 40.2 | 69% | 0.687 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -76.2 | -15.1 | 176.9 | -58.1 | -176.1 | 172.2 | 0 | 0 | 112.4 | T252 S276 V277 | T252-E279 WeakPolarHBondContact CG2-O 3.24Å; S276-E279 WeakPolarHBondContact O-CB 3.38Å; S276-E279 PolarHBondContact O-N 3.48Å; V277-E279 PolarHBondContact O-N 2.94Å |
| 280 | L | 98.3 | Very high | 96.9 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -73.7 | 147.3 | 179.9 | -63.3 | 177.3 | 0 | 0 | 0 | 112.4 | K182 T252 I253 V277 A278 E284 F285 | K182-L280 HydrophobicContact CD-CD1 3.31Å; T252-L280 CarbonylContact C-O 3.59Å; T252-L280 VanDerWaalsContact CA-O 3.25Å; T252-L280 WeakPolarHBondContact CA-O 3.1Å; T252-L280 WeakPolarHBondContact CB-O 3.46Å; I253-L280 HydrophobicContact CD1-CB 4.37Å; I253-L280 PolarHBondContact N-O 3.07Å; V277-L280 HydrophobicContact CG1-CD1 4.5Å; V277-L280 WeakPolarHBondContact O-CB 3.5Å; V277-L280 PolarHBondContact O-N 3.24Å; A278-L280 PolarHBondContact O-N 3.2Å; L280-E284 HydrophobicContact CB-CB 4.32Å; L280-E284 HydrophobicContact CB-CG 4.17Å; L280-E284 HydrophobicContact CD1-CB 4.44Å; L280-F285 HydrophobicContact CD1-CE2 4.2Å |
| 281 | P | 98.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 44.3 Ų | 44.3 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -57.8 | 146.9 | 167.1 | -22.5 | 33.9 | 0 | 0 | 0 | 112 | L248 E251 S283 E284 | L248-P281 WeakPolarHBondContact O-CB 3.3Å; E251-P281 CarbonylContact O-C 3.57Å; E251-P281 WeakPolarHBondContact O-CA 3.47Å; P281-S283 PolarHBondContact O-N 3.45Å; P281-S283 VanDerWaalsContact O-N 3.14Å; P281-E284 WeakPolarHBondContact O-CB 3.38Å; P281-E284 PolarHBondContact O-N 3.19Å; P281-E284 VanDerWaalsContact O-N 3.07Å |
| 282 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.5 | 176.4 | -71.8 | 171.2 | 0 | 0 | 0 | 112.6 | L248 E251 I253 Q256 E284 F285 F286 | L248-L282 HydrophobicContact CB-CB 4.01Å; L248-L282 HydrophobicContact CD2-CB 3.98Å; L248-L282 HydrophobicContact CD2-CD1 3.7Å; L248-L282 HydrophobicContact CG-CB 4.45Å; L248-L282 PolarHBondContact O-N 3.33Å; E251-L282 HydrophobicContact CB-CD1 4.16Å; E251-L282 HydrophobicContact CG-CD1 3.96Å; E251-L282 WeakPolarHBondContact O-CG 3.32Å; E251-L282 PolarHBondContact O-N 2.96Å; I253-L282 HydrophobicContact CB-CD2 4.49Å; I253-L282 HydrophobicContact CG1-CD2 3.83Å; Q256-L282 HydrophobicContact CB-CD1 4.16Å; Q256-L282 HydrophobicContact CB-CD2 4.31Å; L282-E284 PolarHBondContact O-N 2.87Å; L282-F285 PolarHBondContact O-N 3.32Å; L282-F286 HydrophobicContact CB-CD2 4.17Å; L282-F286 HydrophobicContact CD2-CD2 4.3Å; L282-F286 HydrophobicContact CD2-CE2 3.89Å; L282-F286 HydrophobicContact CD2-CZ 4.4Å; L282-F286 PolarHBondContact O-N 3.48Å |
| 283 | S | 97.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 10% | 0.098 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -21.9 | 178.1 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | L248 E249 P281 F285 G287 | L248-S283 VanDerWaalsContact O-CB 3.24Å; L248-S283 WeakPolarHBondContact O-CB 3.5Å; L248-S283 PolarHBondContact O-N 3.06Å; L248-S283 PolarHBondContact O-OG 2.92Å; E249-S283 WeakPolarHBondContact CA-OG 3.49Å; P281-S283 PolarHBondContact O-N 3.45Å; P281-S283 VanDerWaalsContact O-N 3.14Å; S283-F285 PolarHBondContact O-N 2.93Å; S283-G287 VanDerWaalsContact CA-O 3.28Å; S283-G287 WeakPolarHBondContact CA-O 3.31Å; S283-G287 VanDerWaalsContact CB-O 3.27Å; S283-G287 WeakPolarHBondContact CB-O 3.17Å; S283-G287 WeakPolarHBondContact O-CA 2.92Å; S283-G287 PolarHBondContact O-N 3.36Å; S283-G287 VanDerWaalsContact O-N 3.13Å |
| 284 | E | 98.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 55.4 Ų | 55.4 | 30% | 0.304 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -10.9 | 172.3 | -68.5 | -64.8 | 147.9 | 0 | 0 | 112.9 | L30 H141 L280 P281 L282 | L30-E284 WeakPolarHBondContact CD2-O 3.08Å; H141-E284 WeakPolarHBondContact CB-O 3.32Å; H141-E284 IonicContact CE1-OE2 2.98Å; H141-E284 PolarHBondContact CE1-OE2 3.08Å; H141-E284 VanDerWaalsContact CE1-OE2 3.23Å; H141-E284 PolarHBondContact ND1-O 2.82Å; H141-E284 IonicContact ND1-OE2 3.85Å; L280-E284 HydrophobicContact CB-CB 4.32Å; L280-E284 HydrophobicContact CB-CG 4.17Å; L280-E284 HydrophobicContact CD1-CB 4.44Å; P281-E284 WeakPolarHBondContact O-CB 3.38Å; P281-E284 PolarHBondContact O-N 3.19Å; P281-E284 VanDerWaalsContact O-N 3.07Å; L282-E284 PolarHBondContact O-N 2.87Å |
| 285 | F | 98.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -128.3 | -35.5 | 175.6 | -67 | -87.7 | 0 | 0 | 0 | 112.9 | H141 F143 K182 L184 I253 V277 L280 L282 S283 | H141-F285 HydrophobicContact CB-CD1 3.99Å; H141-F285 HydrophobicContact CB-CE1 3.9Å; F143-F285 HydrophobicContact CB-CB 4.4Å; K182-F285 HydrophobicContact CB-CE1 4.25Å; K182-F285 HydrophobicContact CB-CZ 3.8Å; L184-F285 HydrophobicContact CB-CD1 3.47Å; L184-F285 VanDerWaalsContact CB-CD1 3.47Å; L184-F285 HydrophobicContact CB-CD2 4.2Å; L184-F285 HydrophobicContact CB-CE1 3.52Å; L184-F285 HydrophobicContact CB-CE2 4.23Å; L184-F285 HydrophobicContact CB-CG 3.82Å; L184-F285 HydrophobicContact CB-CZ 3.9Å; L184-F285 HydrophobicContact CD2-CB 3.87Å; L184-F285 HydrophobicContact CD2-CD1 4.28Å; L184-F285 HydrophobicContact CD2-CD2 3.9Å; L184-F285 HydrophobicContact CD2-CG 3.75Å; L184-F285 HydrophobicContact CG-CG 4.44Å; I253-F285 HydrophobicContact CD1-CD2 3.7Å; I253-F285 HydrophobicContact CD1-CE2 3.56Å; V277-F285 HydrophobicContact CG1-CE2 4.04Å; V277-F285 HydrophobicContact CG1-CZ 3.79Å; L280-F285 HydrophobicContact CD1-CE2 4.2Å; L282-F285 PolarHBondContact O-N 3.32Å; S283-F285 PolarHBondContact O-N 2.93Å |
| 286 | F | 98.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -95.8 | -9.4 | -173.7 | -64.3 | -5 | 0 | 0 | 0 | 113.8 | I56 L57 H60 V62 F143 L184 Y186 W239 S243 L248 L282 | I56-F286 HydrophobicContact CG2-CD2 4.42Å; L57-F286 HydrophobicContact CD2-CB 4.02Å; L57-F286 HydrophobicContact CD2-CD1 3.64Å; L57-F286 HydrophobicContact CD2-CE1 4.45Å; L57-F286 HydrophobicContact CD2-CG 4.03Å; H60-F286 WeakPolarHBondContact CB-O 3.46Å; V62-F286 WeakPolarHBondContact CG2-O 3.42Å; F143-F286 HydrophobicContact CD1-CD1 4.15Å; F143-F286 AromaticContact CD1-CE1 3.7Å; F143-F286 HydrophobicContact CD1-CE1 3.7Å; F143-F286 AromaticContact CD2-CE1 3.77Å; F143-F286 HydrophobicContact CD2-CE1 3.77Å; F143-F286 HydrophobicContact CE1-CD1 4.31Å; F143-F286 AromaticContact CE1-CE1 3.59Å; F143-F286 HydrophobicContact CE1-CE1 3.59Å; F143-F286 HydrophobicContact CE1-CZ 4.21Å; F143-F286 AromaticContact CE2-CE1 3.66Å; F143-F286 HydrophobicContact CE2-CE1 3.66Å; F143-F286 HydrophobicContact CE2-CZ 4.06Å; F143-F286 HydrophobicContact CG-CD1 4.33Å; F143-F286 AromaticContact CG-CE1 3.78Å; F143-F286 HydrophobicContact CG-CE1 3.78Å; F143-F286 AromaticContact CZ-CE1 3.54Å; F143-F286 HydrophobicContact CZ-CE1 3.54Å; F143-F286 AromaticContact CZ-CZ 3.84Å; F143-F286 HydrophobicContact CZ-CZ 3.84Å; L184-F286 HydrophobicContact CD2-CE1 4.07Å; L184-F286 HydrophobicContact CD2-CZ 4.38Å; Y186-F286 HydrophobicContact CE2-CZ 4.04Å; W239-F286 HydrophobicContact CE3-CE2 4.05Å; W239-F286 HydrophobicContact CE3-CZ 4.15Å; W239-F286 HydrophobicContact CH2-CZ 4.49Å; W239-F286 AromaticContact CZ3-CE2 3.72Å; W239-F286 HydrophobicContact CZ3-CE2 3.72Å; W239-F286 AromaticContact CZ3-CZ 3.73Å; W239-F286 HydrophobicContact CZ3-CZ 3.73Å; S243-F286 WeakPolarHBondContact OG-CE2 3.36Å; L248-F286 HydrophobicContact CD1-CB 3.72Å; L248-F286 HydrophobicContact CD1-CD2 4.2Å; L282-F286 HydrophobicContact CB-CD2 4.17Å; L282-F286 HydrophobicContact CD2-CD2 4.3Å; L282-F286 HydrophobicContact CD2-CE2 3.89Å; L282-F286 HydrophobicContact CD2-CZ 4.4Å; L282-F286 PolarHBondContact O-N 3.48Å |
| 287 | G | 96.8 | Very high | 89 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | trans | 93.8 | 163.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H60 S283 | H60-G287 CarbonylContact O-C 3.33Å; H60-G287 WeakPolarHBondContact O-CA 3.47Å; S283-G287 VanDerWaalsContact CA-O 3.28Å; S283-G287 WeakPolarHBondContact CA-O 3.31Å; S283-G287 VanDerWaalsContact CB-O 3.27Å; S283-G287 WeakPolarHBondContact CB-O 3.17Å; S283-G287 WeakPolarHBondContact O-CA 2.92Å; S283-G287 PolarHBondContact O-N 3.36Å; S283-G287 VanDerWaalsContact O-N 3.13Å | ||
| 288 | N | 93.1 | Very high | 88 | Confident | 73 Ų | 73 | 66 Ų | 66 | 39% | 0.39 | 37% | 0.367 | S | S | . | . | trans | -118.5 | 9.5 | -170.3 | 65.6 | -7.3 | 0 | 0 | 0 | 113.6 | H60 E249 L290 | H60-N288 PolarHBondContact O-N 2.95Å; E249-N288 HydrophobicContact CG-CB 4.12Å; N288-L290 PolarHBondContact O-N 3.43Å | ||
| 289 | K | 92.9 | Very high | 86.6 | Confident | 127 Ų | 127 | 70.5 Ų | 70.5 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | trans | -68.3 | 112.7 | 178.9 | -175.6 | 177.3 | 173.4 | -176.7 | 0 | 109.7 | H60 L291 | H60-K289 VanDerWaalsContact C-CB 3.42Å; H60-K289 PolarHBondContact CD2-O 3.43Å; H60-K289 WeakPolarHBondContact O-CB 3.34Å; H60-K289 PolarHBondContact O-N 2.97Å; K289-L291 PolarHBondContact O-N 3.15Å | ||
| 290 | L | 83.2 | Confident | 85.3 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | trans | -58.8 | 126.6 | 175.3 | -68 | 169.2 | 0 | 0 | 0 | 111 | N288 L292 | N288-L290 PolarHBondContact O-N 3.43Å; L290-L292 PolarHBondContact O-N 3.35Å | ||
| 291 | L | 83.7 | Confident | 83.4 | Confident | 76 Ų | 76 | 63 Ų | 63 | 40% | 0.398 | 36% | 0.36 | S | S | . | . | trans | -80.9 | 116.5 | 174.8 | -55.6 | -172.3 | 0 | 0 | 0 | 109.9 | K59 K289 G293 | K59-L291 HydrophobicContact CB-CD2 3.75Å; K59-L291 WeakPolarHBondContact O-CD2 3.05Å; K289-L291 PolarHBondContact O-N 3.15Å; L291-G293 PolarHBondContact O-N 2.8Å | ||
| 292 | L | 73.4 | Confident | 81.9 | Confident | 142 Ų | 142 | 69 Ų | 69 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | trans | -80.7 | 112.6 | 172.1 | -69.1 | 176.7 | 0 | 0 | 0 | 109.7 | L290 | L290-L292 PolarHBondContact O-N 3.35Š| ||
| 293 | G | 72.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 74.2 Ų | 74.2 | 72% | 0.722 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 146.9 | -179.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L291 | L291-G293 PolarHBondContact O-N 2.8Š|
| 294 | A | 69.7 | Low | 79.8 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 86% | 0.86 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 127.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 295 | S | 74.1 | Confident | 78.7 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 141.2 | 169 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | K297 | S295-K297 PolarHBondContact O-N 3.26Š|
| 296 | P | 76.2 | Confident | 77.8 | Confident | 46 Ų | 46 | 80.3 Ų | 80.3 | 30% | 0.299 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 139.7 | 171.7 | -21.2 | 32.2 | 0 | 0 | 0 | 110.7 | D244 Y298 | D244-P296 HydrophobicContact CB-CG 4.4Å; D244-P296 WeakPolarHBondContact O-CD 3.31Å; P296-Y298 HydrophobicContact CB-CD2 3.96Å; P296-Y298 HydrophobicContact CB-CE1 4.17Å; P296-Y298 HydrophobicContact CB-CE2 3.41Å; P296-Y298 VanDerWaalsContact CB-CE2 3.41Å; P296-Y298 HydrophobicContact CG-CE2 3.96Å; P296-Y298 PolarHBondContact O-N 2.87Å |
| 297 | K | 72 | Confident | 77.5 | Confident | 210 Ų | 210 | 81.6 Ų | 81.6 | 91% | 0.913 | 45% | 0.445 | S | S | * | . | trans | -93.4 | 89.5 | 174.9 | -67.7 | -172.7 | 179.7 | -176.5 | 0 | 109.3 | S295 | S295-K297 PolarHBondContact O-N 3.26Š| ||
| 298 | Y | 76.8 | Confident | 77.4 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 22% | 0.224 | 45% | 0.454 | C | S | . | . | trans | -89.3 | 148.9 | 170.2 | -57.9 | -62.3 | 0 | 0 | 0 | 111 | E241 D244 P296 | E241-Y298 HydrophobicContact CB-CD2 3.47Å; E241-Y298 VanDerWaalsContact CB-CD2 3.47Å; E241-Y298 HydrophobicContact CB-CE2 3.87Å; E241-Y298 HydrophobicContact CB-CG 3.86Å; E241-Y298 HydrophobicContact CG-CD1 4.01Å; E241-Y298 HydrophobicContact CG-CD2 3.69Å; E241-Y298 HydrophobicContact CG-CE1 4.16Å; E241-Y298 HydrophobicContact CG-CE2 3.79Å; E241-Y298 HydrophobicContact CG-CG 3.79Å; E241-Y298 VanDerWaalsContact OE2-CB 3.31Å; E241-Y298 WeakPolarHBondContact OE2-CB 3.24Å; D244-Y298 HydrophobicContact CB-CE2 3.78Å; D244-Y298 WeakPolarHBondContact OD2-CE2 3.5Å; D244-Y298 PolarHBondContact OD2-OH 2.81Å; P296-Y298 HydrophobicContact CB-CD2 3.96Å; P296-Y298 HydrophobicContact CB-CE1 4.17Å; P296-Y298 HydrophobicContact CB-CE2 3.41Å; P296-Y298 VanDerWaalsContact CB-CE2 3.41Å; P296-Y298 HydrophobicContact CG-CE2 3.96Å; P296-Y298 PolarHBondContact O-N 2.87Å | ||
| 299 | T | 67.7 | Low | 77.6 | Confident | 96 Ų | 96 | 80.2 Ų | 80.2 | 59% | 0.589 | 44% | 0.441 | S | S | * | . | trans | -108.5 | 78.8 | 172.8 | -34 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 300 | M | 70.9 | Confident | 77.8 | Confident | 26 Ų | 26 | 75 Ų | 75 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 143.8 | -175.8 | -53.9 | -59.1 | -68.9 | 0 | 0 | 112.3 | N238 E241 D242 E263 K302 | N238-M300 VanDerWaalsContact CA-CE 3.49Å; N238-M300 HydrophobicContact CB-CE 4.14Å; N238-M300 WeakPolarHBondContact O-CE 3.43Å; E241-M300 HydrophobicContact CB-CE 3.84Å; E241-M300 HydrophobicContact CB-SD 3.48Å; E241-M300 WeakPolarHBondContact CB-SD 3.31Å; D242-M300 HydrophobicContact CB-CE 4.46Å; E263-M300 HydrophobicContact CG-CB 4.32Å; M300-K302 PolarHBondContact O-N 2.69Å |
| 301 | G | 60.3 | Low | 78.5 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -32.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | E263 S305 | E263-G301 WeakPolarHBondContact OE2-CA 3.44Å; G301-S305 WeakPolarHBondContact O-CB 3.46Å; G301-S305 PolarHBondContact O-OG 2.9Å |
| 302 | K | 66.8 | Low | 79 | Confident | 162 Ų | 162 | 67.7 Ų | 67.7 | 70% | 0.704 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -28.3 | -173.7 | -74.7 | -173.1 | 178.7 | -179.7 | 0 | 114.8 | M300 S305 | M300-K302 PolarHBondContact O-N 2.69Å; K302-S305 PolarHBondContact O-OG 3.44Å |
| 303 | F | 72.4 | Confident | 80.1 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -46.5 | -174.3 | -159.6 | -104.6 | 0 | 0 | 0 | 111.9 | P91 F222 | P91-F303 HydrophobicContact CB-CE1 3.97Å; P91-F303 HydrophobicContact CG-CD1 4.34Å; P91-F303 HydrophobicContact CG-CE1 3.85Å; F222-F303 HydrophobicContact CD1-CD1 4.17Å; F222-F303 HydrophobicContact CE1-CB 4.39Å; F222-F303 AromaticContact CE1-CD1 3.83Å; F222-F303 HydrophobicContact CE1-CD1 3.83Å |
| 304 | W | 79.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -75.6 | -25.7 | -178.9 | 57.4 | -108.4 | 0 | 0 | 0 | 114.4 | C221 F222 C234 N238 E263 N265 T266 Q306 D307 A308 | C221-W304 HydrophobicContact CB-CB 3.56Å; C221-W304 HydrophobicContact CB-CE3 4.31Å; C221-W304 HydrophobicContact CB-CG 4.33Å; F222-W304 HydrophobicContact CD1-CB 3.68Å; F222-W304 HydrophobicContact CE1-CB 3.38Å; F222-W304 HydrophobicContact CE1-CG 4.28Å; F222-W304 HydrophobicContact CG-CB 4.44Å; F222-W304 HydrophobicContact CZ-CB 3.89Å; F222-W304 HydrophobicContact CZ-CG 4.43Å; C234-W304 HydrophobicContact CB-CD2 4.39Å; C234-W304 HydrophobicContact CB-CE3 3.97Å; C234-W304 HydrophobicContact CB-CH2 3.92Å; C234-W304 HydrophobicContact CB-CZ2 4.28Å; C234-W304 HydrophobicContact CB-CZ3 3.73Å; C234-W304 WeakPolarHBondContact SG-CZ3 3.34Å; N238-W304 VanDerWaalsContact ND2-CZ2 3.3Å; N238-W304 WeakPolarHBondContact ND2-CZ2 3.35Å; N238-W304 PolarHBondContact OD1-NE1 3.38Å; E263-W304 WeakPolarHBondContact O-CZ2 3.44Å; N265-W304 WeakPolarHBondContact OD1-CH2 3.44Å; T266-W304 HydrophobicContact CG2-CH2 4.29Å; T266-W304 HydrophobicContact CG2-CZ3 3.81Å; W304-Q306 PolarHBondContact O-N 3.46Å; W304-D307 PolarHBondContact O-N 2.82Å; W304-A308 HydrophobicContact CE3-CB 4.08Å; W304-A308 HydrophobicContact CZ3-CB 4.09Å; W304-A308 PolarHBondContact O-N 3.03Å |
| 305 | S | 73.7 | Confident | 82.5 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -64.9 | -13.8 | -174.8 | 47.4 | 0 | 0 | 0 | 0 | 114 | G301 K302 | G301-S305 WeakPolarHBondContact O-CB 3.46Å; G301-S305 PolarHBondContact O-OG 2.9Å; K302-S305 PolarHBondContact O-OG 3.44Å |
| 306 | Q | 81 | Confident | 83.6 | Confident | 160 Ų | 160 | 54.3 Ų | 54.3 | 75% | 0.748 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -76.6 | -24.3 | 179.6 | -61.2 | -178.6 | 26.3 | 0 | 0 | 113.7 | W304 | W304-Q306 PolarHBondContact O-N 3.46Š|
| 307 | D | 91 | Very high | 84.5 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 3.8 | -178.7 | 62.1 | 12.2 | 0 | 0 | 0 | 114 | F222 F223 Y230 W304 V309 | F222-D307 WeakPolarHBondContact CA-OD2 3.1Å; F222-D307 PolarHBondContact N-OD1 3.17Å; F222-D307 PolarHBondContact N-OD2 2.94Å; F223-D307 HydrophobicContact CB-CB 4.2Å; F223-D307 PolarHBondContact N-OD2 2.88Å; Y230-D307 VanDerWaalsContact CE1-O 3.28Å; Y230-D307 WeakPolarHBondContact CE1-O 3.2Å; Y230-D307 PolarHBondContact OH-O 3.27Å; W304-D307 PolarHBondContact O-N 2.82Å; D307-V309 PolarHBondContact O-N 3.09Å |
| 308 | A | 95.6 | Very high | 85.7 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | trans | -51.7 | 129 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y219 A220 T266 W304 | Y219-A308 HydrophobicContact CD1-CB 4.35Å; A220-A308 VanDerWaalsContact O-CA 3.28Å; A220-A308 WeakPolarHBondContact O-CA 3.36Å; T266-A308 HydrophobicContact CG2-CB 3.95Å; W304-A308 HydrophobicContact CE3-CB 4.08Å; W304-A308 HydrophobicContact CZ3-CB 4.09Å; W304-A308 PolarHBondContact O-N 3.03Å | ||
| 309 | V | 97 | Very high | 86.5 | Confident | 19 Ų | 19 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.9 | 179.2 | 67 | 0 | 0 | 0 | 0 | 109.6 | Y219 A220 Y230 D307 S311 D313 V314 E317 | Y219-V309 CarbonylContact C-O 3.43Å; Y219-V309 VanDerWaalsContact CA-O 3.24Å; Y219-V309 WeakPolarHBondContact CA-O 3.33Å; Y219-V309 WeakPolarHBondContact CD1-O 3.33Å; A220-V309 HydrophobicContact CB-CG1 4.09Å; A220-V309 PolarHBondContact N-O 3.34Å; A220-V309 PolarHBondContact O-N 3.17Å; A220-V309 VanDerWaalsContact O-N 3.1Å; Y230-V309 HydrophobicContact CD1-CG1 4.46Å; Y230-V309 HydrophobicContact CD2-CG1 4.46Å; Y230-V309 HydrophobicContact CE1-CG1 3.74Å; Y230-V309 HydrophobicContact CE2-CG1 3.73Å; Y230-V309 VanDerWaalsContact OH-CG1 3.31Å; Y230-V309 WeakPolarHBondContact OH-CG1 3.42Å; D307-V309 PolarHBondContact O-N 3.09Å; V309-S311 PolarHBondContact O-N 2.88Å; V309-D313 HydrophobicContact CG2-CB 3.93Å; V309-V314 HydrophobicContact CG1-CG2 3.58Å; V309-E317 HydrophobicContact CG2-CB 4.03Å; V309-E317 HydrophobicContact CG2-CG 4.21Å |
| 310 | S | 97.2 | Very high | 87.8 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 133.6 | 172.1 | 168 | 0 | 0 | 0 | 0 | 109.3 | S217 R312 D313 V314 | S217-S310 VanDerWaalsContact CB-OG 3.27Å; S217-S310 WeakPolarHBondContact CB-OG 3.36Å; S217-S310 PolarHBondContact OG-OG 3.27Å; S310-R312 PolarHBondContact O-N 3.36Å; S310-D313 PolarHBondContact O-N 3Å; S310-V314 PolarHBondContact O-N 2.82Å |
| 311 | S | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -50.1 | -33.5 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | R45 H149 S217 S218 V309 D313 | R45-S311 PolarHBondContact NH2-OG 2.91Å; H149-S311 PolarHBondContact CE1-OG 3.47Å; H149-S311 PolarHBondContact ND1-OG 2.9Å; S217-S311 PolarHBondContact OG-N 3.34Å; S218-S311 WeakPolarHBondContact O-CB 3.5Å; S218-S311 PolarHBondContact O-N 3.01Å; V309-S311 PolarHBondContact O-N 2.88Å; S311-D313 VanDerWaalsContact C-N 3.32Å; S311-D313 PolarHBondContact O-N 2.87Å |
| 312 | R | 94.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -67.5 | -26 | 177 | -66.4 | -178.3 | 168.4 | 132.6 | 5.5 | 114.9 | E191 S310 R344 | E191-R312 IonicContact OE1-CZ 2.89Å; E191-R312 IonicContact OE1-NH1 3.22Å; E191-R312 PolarHBondContact OE1-NH1 3.22Å; E191-R312 IonicContact OE1-NH2 3.82Å; E191-R312 PolarHBondContact OE1-NH2 3.24Å; E191-R312 IonicContact OE2-CZ 3.69Å; E191-R312 IonicContact OE2-NH1 3.52Å; E191-R312 IonicContact OE2-NH2 3.54Å; E191-R312 PolarHBondContact OE2-NH2 3.15Å; S310-R312 PolarHBondContact O-N 3.36Å; R312-R344 PolarHBondContact O-NH1 2.82Å; R312-R344 PolarHBondContact O-NH2 3.06Å |
| 313 | D | 96.2 | Very high | 91.4 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -102.1 | -4.7 | -174.9 | -68.8 | -32.2 | 0 | 0 | 0 | 112.8 | V309 S310 S311 L316 E317 R344 | V309-D313 HydrophobicContact CG2-CB 3.93Å; S310-D313 PolarHBondContact O-N 3Å; S311-D313 VanDerWaalsContact C-N 3.32Å; S311-D313 PolarHBondContact O-N 2.87Å; D313-L316 PolarHBondContact O-N 3.05Å; D313-E317 PolarHBondContact O-N 2.82Å; D313-R344 IonicContact OD1-NH1 3.74Å; D313-R344 PolarHBondContact OD1-NH1 3.43Å |
| 314 | V | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -47 | -50.5 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 112.7 | A220 Y230 V309 S310 L316 E317 I318 | A220-V314 HydrophobicContact CB-CG2 3.46Å; A220-V314 VanDerWaalsContact CB-CG2 3.46Å; Y230-V314 HydrophobicContact CD2-CG1 3.78Å; Y230-V314 HydrophobicContact CD2-CG2 4.29Å; Y230-V314 HydrophobicContact CE2-CG1 4.25Å; Y230-V314 HydrophobicContact CE2-CG2 4.48Å; V309-V314 HydrophobicContact CG1-CG2 3.58Å; S310-V314 PolarHBondContact O-N 2.82Å; V314-L316 VanDerWaalsContact C-N 3.33Å; V314-L316 PolarHBondContact O-N 3.33Å; V314-E317 PolarHBondContact O-N 3.43Å; V314-I318 HydrophobicContact CG1-CD1 3.61Å; V314-I318 HydrophobicContact CG1-CG1 4.27Å; V314-I318 WeakPolarHBondContact O-CB 3.29Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 2.9Å |
| 315 | P | 96.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.097 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 179.8 | -23.9 | 35.2 | 0 | 0 | 0 | 113.6 | Y42 L319 L340 | Y42-P315 HydrophobicContact CD2-CG 3.94Å; Y42-P315 HydrophobicContact CE2-CG 4.27Å; P315-L319 VanDerWaalsContact O-CG 3.32Å; P315-L319 WeakPolarHBondContact O-CG 3.48Å; P315-L319 PolarHBondContact O-N 3.45Å; P315-L340 HydrophobicContact CB-CD2 4.09Å |
| 316 | L | 96.1 | Very high | 92 | Very high | 18 Ų | 18 | 53 Ų | 53 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71 | -41.5 | 177.7 | -76.9 | 175.8 | 0 | 0 | 0 | 111.5 | D313 V314 L319 K320 Y337 L340 L341 | D313-L316 PolarHBondContact O-N 3.05Å; V314-L316 VanDerWaalsContact C-N 3.33Å; V314-L316 PolarHBondContact O-N 3.33Å; L316-L319 PolarHBondContact O-N 3.07Å; L316-K320 WeakPolarHBondContact O-CB 3.49Å; L316-K320 PolarHBondContact O-N 3.48Å; L316-Y337 HydrophobicContact CB-CE2 4.21Å; L316-Y337 HydrophobicContact CD2-CD2 3.91Å; L316-Y337 HydrophobicContact CD2-CE2 3.77Å; L316-L340 HydrophobicContact CD2-CB 4.17Å; L316-L340 HydrophobicContact CD2-CD2 3.69Å; L316-L340 HydrophobicContact CD2-CG 3.92Å; L316-L340 HydrophobicContact CG-CD2 3.99Å; L316-L340 HydrophobicContact CG-CG 4.48Å; L316-L341 HydrophobicContact CD1-CD2 3.88Å; L316-L341 HydrophobicContact CD2-CD2 3.94Å; L316-L341 HydrophobicContact CD2-CG 4.17Å |
| 317 | E | 96.4 | Very high | 91.6 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 19% | 0.192 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68 | -40 | -179.3 | -174.9 | 56.3 | -154.7 | 0 | 0 | 111.4 | Y230 V309 D313 V314 L319 K320 R321 | Y230-E317 VanDerWaalsContact OH-CG 3.28Å; Y230-E317 WeakPolarHBondContact OH-CG 3.32Å; V309-E317 HydrophobicContact CG2-CB 4.03Å; V309-E317 HydrophobicContact CG2-CG 4.21Å; D313-E317 PolarHBondContact O-N 2.82Å; V314-E317 PolarHBondContact O-N 3.43Å; E317-L319 VanDerWaalsContact C-N 3.34Å; E317-L319 PolarHBondContact O-N 3.12Å; E317-K320 PolarHBondContact O-N 2.81Å; E317-K320 WeakPolarHBondContact OE2-CD 3.39Å; E317-K320 IonicContact OE2-NZ 3.24Å; E317-R321 WeakPolarHBondContact O-CB 3.41Å; E317-R321 WeakPolarHBondContact O-CG 3.5Å; E317-R321 PolarHBondContact O-N 3.07Å; E317-R321 IonicContact OE1-CZ 2.65Å; E317-R321 IonicContact OE1-NE 3.7Å; E317-R321 PolarHBondContact OE1-NE 3.36Å; E317-R321 IonicContact OE1-NH2 2.83Å |
| 318 | I | 95.6 | Very high | 90.9 | Very high | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56 | -49.3 | 171 | -70.8 | 166.3 | 0 | 0 | 0 | 110.5 | F223 Y230 V314 R321 R322 | F223-I318 HydrophobicContact CE2-CG1 4.04Å; Y230-I318 HydrophobicContact CD2-CD1 4.48Å; Y230-I318 HydrophobicContact CD2-CG1 4.26Å; Y230-I318 HydrophobicContact CE2-CG1 4.25Å; V314-I318 HydrophobicContact CG1-CD1 3.61Å; V314-I318 HydrophobicContact CG1-CG1 4.27Å; V314-I318 WeakPolarHBondContact O-CB 3.29Å; V314-I318 VanDerWaalsContact O-CG1 3.28Å; V314-I318 WeakPolarHBondContact O-CG1 3.41Å; V314-I318 PolarHBondContact O-N 2.9Å; I318-R321 PolarHBondContact O-N 2.66Å; I318-R322 WeakPolarHBondContact O-CB 3.2Å; I318-R322 WeakPolarHBondContact O-CG 3.28Å; I318-R322 PolarHBondContact O-N 2.74Å |
| 319 | L | 94.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 179.1 | -71 | 172.4 | 0 | 0 | 0 | 111.5 | P315 L316 E317 R321 R322 M323 V333 Q336 Y337 L340 | P315-L319 VanDerWaalsContact O-CG 3.32Å; P315-L319 WeakPolarHBondContact O-CG 3.48Å; P315-L319 PolarHBondContact O-N 3.45Å; L316-L319 PolarHBondContact O-N 3.07Å; E317-L319 VanDerWaalsContact C-N 3.34Å; E317-L319 PolarHBondContact O-N 3.12Å; L319-R321 PolarHBondContact O-N 3.35Å; L319-R322 PolarHBondContact O-N 2.84Å; L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.49Å; L319-M323 PolarHBondContact O-N 3.31Å; L319-V333 HydrophobicContact CB-CG1 4.36Å; L319-V333 HydrophobicContact CD2-CG1 3.86Å; L319-V333 WeakPolarHBondContact O-CG1 3.35Å; L319-Q336 HydrophobicContact CD1-CB 4.32Å; L319-Q336 HydrophobicContact CD2-CB 4.05Å; L319-Y337 HydrophobicContact CB-CD2 4Å; L319-L340 HydrophobicContact CD1-CD2 4.13Å |
| 320 | K | 94.1 | Very high | 90 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.9 | -175.5 | -174.5 | 172 | -164.6 | 0 | 111.8 | L316 E317 M323 A324 Y337 | L316-K320 WeakPolarHBondContact O-CB 3.49Å; L316-K320 PolarHBondContact O-N 3.48Å; E317-K320 PolarHBondContact O-N 2.81Å; E317-K320 WeakPolarHBondContact OE2-CD 3.39Å; E317-K320 IonicContact OE2-NZ 3.24Å; K320-M323 WeakPolarHBondContact O-CB 3.45Å; K320-M323 PolarHBondContact O-N 3.45Å; K320-A324 PolarHBondContact O-N 3.46Å; K320-A324 VanDerWaalsContact O-N 3.17Å; K320-Y337 HydrophobicContact CB-CE2 4.2Å |
| 321 | R | 93.5 | Very high | 89.6 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 21% | 0.211 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.4 | -71.7 | 178.1 | 177.4 | -118.4 | 6.2 | 111.7 | F223 E225 E317 I318 L319 M323 A324 H325 | F223-R321 HydrophobicContact CE1-CB 4.26Å; F223-R321 HydrophobicContact CE1-CG 4.48Å; F223-R321 HydrophobicContact CZ-CB 3.96Å; F223-R321 HydrophobicContact CZ-CG 4.39Å; E225-R321 IonicContact OE1-NH1 3.82Å; E317-R321 WeakPolarHBondContact O-CB 3.41Å; E317-R321 WeakPolarHBondContact O-CG 3.5Å; E317-R321 PolarHBondContact O-N 3.07Å; E317-R321 IonicContact OE1-CZ 2.65Å; E317-R321 IonicContact OE1-NE 3.7Å; E317-R321 PolarHBondContact OE1-NE 3.36Å; E317-R321 IonicContact OE1-NH2 2.83Å; I318-R321 PolarHBondContact O-N 2.66Å; L319-R321 PolarHBondContact O-N 3.35Å; R321-M323 VanDerWaalsContact C-N 3.28Å; R321-M323 PolarHBondContact O-N 3.05Å; R321-A324 PolarHBondContact O-N 2.96Å; R321-A324 VanDerWaalsContact O-N 3.14Å; R321-H325 PolarHBondContact O-CD2 3.48Å; R321-H325 PolarHBondContact O-N 3.24Å |
| 322 | R | 91.2 | Very high | 89.4 | Confident | 90 Ų | 90 | 70.3 Ų | 70.3 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 175.3 | -74.2 | 179.3 | 66.3 | 175.7 | 3.8 | 113.2 | I318 L319 V333 | I318-R322 WeakPolarHBondContact O-CB 3.2Å; I318-R322 WeakPolarHBondContact O-CG 3.28Å; I318-R322 PolarHBondContact O-N 2.74Å; L319-R322 PolarHBondContact O-N 2.84Å; R322-V333 HydrophobicContact CB-CG1 3.84Å |
| 323 | M | 89.8 | Confident | 89.3 | Confident | 65 Ų | 65 | 69.2 Ų | 69.2 | 32% | 0.32 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.6 | -33.6 | 174.1 | -70.9 | 168.2 | 56.3 | 0 | 0 | 113 | L319 K320 R321 H325 V333 A334 Y337 | L319-M323 VanDerWaalsContact O-CG 3.28Å; L319-M323 WeakPolarHBondContact O-CG 3.49Å; L319-M323 PolarHBondContact O-N 3.31Å; K320-M323 WeakPolarHBondContact O-CB 3.45Å; K320-M323 PolarHBondContact O-N 3.45Å; R321-M323 VanDerWaalsContact C-N 3.28Å; R321-M323 PolarHBondContact O-N 3.05Å; M323-H325 VanDerWaalsContact C-N 3.32Å; M323-V333 HydrophobicContact CG-CB 3.87Å; M323-V333 HydrophobicContact CG-CG1 3.53Å; M323-A334 HydrophobicContact CE-CB 3.79Å; M323-A334 HydrophobicContact CG-CB 4.48Å; M323-A334 HydrophobicContact SD-CB 4.22Å; M323-Y337 VanDerWaalsContact SD-CB 3.6Å; M323-Y337 HydrophobicContact SD-CD1 4.36Å; M323-Y337 HydrophobicContact SD-CD2 4.34Å; M323-Y337 HydrophobicContact SD-CG 3.86Å |
| 324 | A | 87.4 | Confident | 89.2 | Confident | 79 Ų | 79 | 66.5 Ų | 66.5 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -71.3 | -28 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K320 R321 N326 | K320-A324 PolarHBondContact O-N 3.46Å; K320-A324 VanDerWaalsContact O-N 3.17Å; R321-A324 PolarHBondContact O-N 2.96Å; R321-A324 VanDerWaalsContact O-N 3.14Å; A324-N326 PolarHBondContact O-N 3.33Å |
| 325 | H | 81 | Confident | 89.1 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 39% | 0.394 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -73.3 | 112.6 | 165.9 | -68.6 | -72.7 | 0 | 0 | 0 | 107.9 | E225 K228 R321 M323 S327 | E225-H325 IonicContact OE1-NE2 3.65Å; E225-H325 IonicContact OE2-CD2 3.94Å; E225-H325 IonicContact OE2-CE1 2.79Å; E225-H325 IonicContact OE2-NE2 2.74Å; E225-H325 PolarHBondContact OE2-NE2 3.4Å; K228-H325 PolarHBondContact NZ-NE2 3.1Å; R321-H325 PolarHBondContact O-CD2 3.48Å; R321-H325 PolarHBondContact O-N 3.24Å; M323-H325 VanDerWaalsContact C-N 3.32Å; H325-S327 PolarHBondContact O-N 3.42Å; H325-S327 PolarHBondContact O-OG 3.02Å |
| 326 | N | 68.8 | Low | 89 | Confident | 169 Ų | 169 | 75.6 Ų | 75.6 | 90% | 0.904 | 39% | 0.385 | S | S | * | . | trans | -62.1 | 61.2 | 178.3 | -77.8 | -31.5 | 0 | 0 | 0 | 112.6 | A324 | A324-N326 PolarHBondContact O-N 3.33Š| ||
| 327 | S | 73.3 | Confident | 89 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 33% | 0.329 | 39% | 0.392 | S | S | . | . | trans | -82.4 | 152 | -179.9 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | H325 D329 G330 | H325-S327 PolarHBondContact O-N 3.42Å; H325-S327 PolarHBondContact O-OG 3.02Å; S327-D329 PolarHBondContact O-N 2.82Å; S327-G330 PolarHBondContact O-N 3.48Å | ||
| 328 | P | 77 | Confident | 89 | Confident | 135 Ų | 135 | 82.4 Ų | 82.4 | 88% | 0.877 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -28.6 | 172.8 | -27 | 35.1 | 0 | 0 | 0 | 113.3 | G330 | P328-G330 VanDerWaalsContact C-N 3.33Å; P328-G330 PolarHBondContact O-N 2.85Å |
| 329 | D | 84.4 | Confident | 89 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.1 | -178.8 | -61.2 | -28.1 | 0 | 0 | 0 | 114 | S327 R331 I332 V333 | S327-D329 PolarHBondContact O-N 2.82Å; D329-R331 PolarHBondContact O-N 3.05Å; D329-I332 WeakPolarHBondContact O-CA 3.33Å; D329-I332 WeakPolarHBondContact O-CB 3.44Å; D329-I332 PolarHBondContact O-N 3.46Å; D329-V333 HydrophobicContact CB-CG2 4.49Å; D329-V333 PolarHBondContact O-N 3.4Å |
| 330 | G | 87.6 | Confident | 89 | Confident | 22 Ų | 22 | 83.9 Ų | 83.9 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -52.6 | -34 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S327 P328 A334 | S327-G330 PolarHBondContact O-N 3.48Å; P328-G330 VanDerWaalsContact C-N 3.33Å; P328-G330 PolarHBondContact O-N 2.85Å; G330-A334 VanDerWaalsContact O-CB 3.27Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.06Å |
| 331 | R | 89.6 | Confident | 89.1 | Confident | 227 Ų | 227 | 81.9 Ų | 81.9 | 86% | 0.857 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 174.2 | -69.4 | -175.5 | 180 | -177.1 | 1 | 113.1 | D329 F335 | D329-R331 PolarHBondContact O-N 3.05Å; R331-F335 PolarHBondContact O-N 2.74Å |
| 332 | I | 92.8 | Very high | 89.3 | Confident | 98 Ų | 98 | 83.8 Ų | 83.8 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.8 | -45.8 | 178.4 | -61.5 | 172.9 | 0 | 0 | 0 | 109.3 | D329 A334 F335 Q336 | D329-I332 WeakPolarHBondContact O-CA 3.33Å; D329-I332 WeakPolarHBondContact O-CB 3.44Å; D329-I332 PolarHBondContact O-N 3.46Å; I332-A334 PolarHBondContact O-N 2.61Å; I332-F335 WeakPolarHBondContact O-CB 3.5Å; I332-F335 PolarHBondContact O-N 2.8Å; I332-Q336 WeakPolarHBondContact O-CG 3.43Å; I332-Q336 PolarHBondContact O-N 3.42Å |
| 333 | V | 93.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 178.2 | -170 | 0 | 0 | 0 | 0 | 110.9 | L319 R322 M323 D329 F335 Q336 Y337 | L319-V333 HydrophobicContact CB-CG1 4.36Å; L319-V333 HydrophobicContact CD2-CG1 3.86Å; L319-V333 WeakPolarHBondContact O-CG1 3.35Å; R322-V333 HydrophobicContact CB-CG1 3.84Å; M323-V333 HydrophobicContact CG-CB 3.87Å; M323-V333 HydrophobicContact CG-CG1 3.53Å; D329-V333 HydrophobicContact CB-CG2 4.49Å; D329-V333 PolarHBondContact O-N 3.4Å; V333-F335 VanDerWaalsContact C-N 3.29Å; V333-F335 PolarHBondContact O-N 3.43Å; V333-Q336 WeakPolarHBondContact O-CB 3.4Å; V333-Q336 PolarHBondContact O-N 2.91Å; V333-Q336 VanDerWaalsContact O-N 3.16Å; V333-Y337 PolarHBondContact O-N 3.11Å |
| 334 | A | 93.7 | Very high | 89.9 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 12% | 0.116 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -35.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M323 G330 I332 R338 | M323-A334 HydrophobicContact CE-CB 3.79Å; M323-A334 HydrophobicContact CG-CB 4.48Å; M323-A334 HydrophobicContact SD-CB 4.22Å; G330-A334 VanDerWaalsContact O-CB 3.27Å; G330-A334 WeakPolarHBondContact O-CB 3.44Å; G330-A334 PolarHBondContact O-N 3.06Å; I332-A334 PolarHBondContact O-N 2.61Å; A334-R338 WeakPolarHBondContact O-CG 3.48Å; A334-R338 PolarHBondContact O-N 3.04Å; A334-R338 VanDerWaalsContact O-N 3.13Å |
| 335 | F | 94.4 | Very high | 90.4 | Very high | 124 Ų | 124 | 81 Ų | 81 | 54% | 0.544 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 172.2 | 176 | -92.4 | 0 | 0 | 0 | 111.5 | R331 I332 V333 Y337 R338 H339 | R331-F335 PolarHBondContact O-N 2.74Å; I332-F335 WeakPolarHBondContact O-CB 3.5Å; I332-F335 PolarHBondContact O-N 2.8Å; V333-F335 VanDerWaalsContact C-N 3.29Å; V333-F335 PolarHBondContact O-N 3.43Å; F335-Y337 VanDerWaalsContact C-N 3.34Å; F335-Y337 PolarHBondContact O-N 2.84Å; F335-R338 PolarHBondContact O-N 3.4Å; F335-H339 HydrophobicContact CE1-CB 4.47Å; F335-H339 VanDerWaalsContact O-CB 3.25Å; F335-H339 WeakPolarHBondContact O-CB 3.47Å; F335-H339 PolarHBondContact O-N 3.07Å |
| 336 | Q | 94.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 79.7 Ų | 79.7 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 176.6 | -71 | 172.2 | -19.1 | 0 | 0 | 111.8 | L319 I332 V333 H339 L340 | L319-Q336 HydrophobicContact CD1-CB 4.32Å; L319-Q336 HydrophobicContact CD2-CB 4.05Å; I332-Q336 WeakPolarHBondContact O-CG 3.43Å; I332-Q336 PolarHBondContact O-N 3.42Å; V333-Q336 WeakPolarHBondContact O-CB 3.4Å; V333-Q336 PolarHBondContact O-N 2.91Å; V333-Q336 VanDerWaalsContact O-N 3.16Å; Q336-H339 PolarHBondContact O-N 3.48Å; Q336-L340 WeakPolarHBondContact O-CB 3.25Å; Q336-L340 PolarHBondContact O-N 3.34Å |
| 337 | Y | 95.3 | Very high | 92.5 | Very high | 63 Ų | 63 | 71.6 Ų | 71.6 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.7 | -52.7 | 177.2 | -178.5 | -93.2 | 0 | 0 | 0 | 112 | L316 L319 K320 M323 V333 F335 H339 L340 L341 | L316-Y337 HydrophobicContact CB-CE2 4.21Å; L316-Y337 HydrophobicContact CD2-CD2 3.91Å; L316-Y337 HydrophobicContact CD2-CE2 3.77Å; L319-Y337 HydrophobicContact CB-CD2 4Å; K320-Y337 HydrophobicContact CB-CE2 4.2Å; M323-Y337 VanDerWaalsContact SD-CB 3.6Å; M323-Y337 HydrophobicContact SD-CD1 4.36Å; M323-Y337 HydrophobicContact SD-CD2 4.34Å; M323-Y337 HydrophobicContact SD-CG 3.86Å; V333-Y337 PolarHBondContact O-N 3.11Å; F335-Y337 VanDerWaalsContact C-N 3.34Å; F335-Y337 PolarHBondContact O-N 2.84Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 2.8Å; Y337-L340 PolarHBondContact O-N 3.01Å; Y337-L341 HydrophobicContact CD1-CD1 4.03Å; Y337-L341 HydrophobicContact CE1-CD1 3.49Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.49Å; Y337-L341 HydrophobicContact CE1-CG 4.32Å; Y337-L341 PolarHBondContact O-N 3.45Å; Y337-L341 VanDerWaalsContact O-N 3.13Å |
| 338 | R | 96.2 | Very high | 93.5 | Very high | 140 Ų | 140 | 73 Ų | 73 | 53% | 0.528 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 177.8 | -72.8 | -171 | -63.9 | -100.1 | -1 | 112.3 | A334 F335 L341 Q342 | A334-R338 WeakPolarHBondContact O-CG 3.48Å; A334-R338 PolarHBondContact O-N 3.04Å; A334-R338 VanDerWaalsContact O-N 3.13Å; F335-R338 PolarHBondContact O-N 3.4Å; R338-L341 PolarHBondContact O-N 2.98Å; R338-Q342 WeakPolarHBondContact O-CG 3.2Å; R338-Q342 PolarHBondContact O-N 2.92Å |
| 339 | H | 95.7 | Very high | 94.5 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.3 | -35.8 | -179.3 | -165.9 | 56.1 | 0 | 0 | 0 | 112.1 | F335 Q336 Y337 Q342 K343 Y437 | F335-H339 HydrophobicContact CE1-CB 4.47Å; F335-H339 VanDerWaalsContact O-CB 3.25Å; F335-H339 WeakPolarHBondContact O-CB 3.47Å; F335-H339 PolarHBondContact O-N 3.07Å; Q336-H339 PolarHBondContact O-N 3.48Å; Y337-H339 VanDerWaalsContact C-N 3.31Å; Y337-H339 PolarHBondContact O-N 2.8Å; H339-Q342 PolarHBondContact O-N 3.38Å; H339-K343 WeakPolarHBondContact NE2-CE 3.27Å; H339-K343 WeakPolarHBondContact O-CG 3.31Å; H339-K343 PolarHBondContact O-N 3.4Å; H339-Y437 AromaticContact CE1-CE1 3.59Å; H339-Y437 AromaticContact CE1-CZ 3.86Å; H339-Y437 PolarHBondContact CE1-OH 3.37Å; H339-Y437 AromaticContact NE2-CE1 3.9Å |
| 340 | L | 96 | Very high | 95.1 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173 | -176.4 | 54.7 | 0 | 0 | 0 | 111.5 | P315 L316 L319 Q336 Y337 Q342 K343 R344 L441 | P315-L340 HydrophobicContact CB-CD2 4.09Å; L316-L340 HydrophobicContact CD2-CB 4.17Å; L316-L340 HydrophobicContact CD2-CD2 3.69Å; L316-L340 HydrophobicContact CD2-CG 3.92Å; L316-L340 HydrophobicContact CG-CD2 3.99Å; L316-L340 HydrophobicContact CG-CG 4.48Å; L319-L340 HydrophobicContact CD1-CD2 4.13Å; Q336-L340 WeakPolarHBondContact O-CB 3.25Å; Q336-L340 PolarHBondContact O-N 3.34Å; Y337-L340 PolarHBondContact O-N 3.01Å; L340-Q342 PolarHBondContact O-N 3.3Å; L340-K343 WeakPolarHBondContact O-CB 3.03Å; L340-K343 PolarHBondContact O-N 3.08Å; L340-R344 HydrophobicContact CD1-CG 4.48Å; L340-R344 WeakPolarHBondContact O-CG 3.18Å; L340-R344 PolarHBondContact O-N 3.13Å; L340-L441 HydrophobicContact CD1-CB 4.15Å |
| 341 | L | 96.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 66.6 Ų | 66.6 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -45.4 | 173.8 | -69.4 | 176.6 | 0 | 0 | 0 | 112.3 | L316 Y337 R338 K343 R344 E345 | L316-L341 HydrophobicContact CD1-CD2 3.88Å; L316-L341 HydrophobicContact CD2-CD2 3.94Å; L316-L341 HydrophobicContact CD2-CG 4.17Å; Y337-L341 HydrophobicContact CD1-CD1 4.03Å; Y337-L341 HydrophobicContact CE1-CD1 3.49Å; Y337-L341 VanDerWaalsContact CE1-CD1 3.49Å; Y337-L341 HydrophobicContact CE1-CG 4.32Å; Y337-L341 PolarHBondContact O-N 3.45Å; Y337-L341 VanDerWaalsContact O-N 3.13Å; R338-L341 PolarHBondContact O-N 2.98Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.47Å; L341-R344 PolarHBondContact O-N 2.91Å; L341-E345 PolarHBondContact O-N 2.93Å |
| 342 | Q | 97.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 60.1 Ų | 60.1 | 45% | 0.449 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 176.8 | -72.5 | 173.7 | -10.8 | 0 | 0 | 112.9 | R338 H339 L340 Y346 | R338-Q342 WeakPolarHBondContact O-CG 3.2Å; R338-Q342 PolarHBondContact O-N 2.92Å; H339-Q342 PolarHBondContact O-N 3.38Å; L340-Q342 PolarHBondContact O-N 3.3Å; Q342-Y346 WeakPolarHBondContact O-CB 3.38Å; Q342-Y346 PolarHBondContact O-N 3.37Å |
| 343 | K | 97.1 | Very high | 96 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 18% | 0.178 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 175.8 | -75.2 | 170.4 | 164.7 | -166.5 | 0 | 111.8 | H339 L340 L341 Y346 F347 Y437 N439 I440 | H339-K343 WeakPolarHBondContact NE2-CE 3.27Å; H339-K343 WeakPolarHBondContact O-CG 3.31Å; H339-K343 PolarHBondContact O-N 3.4Å; L340-K343 WeakPolarHBondContact O-CB 3.03Å; L340-K343 PolarHBondContact O-N 3.08Å; L341-K343 VanDerWaalsContact C-N 3.31Å; L341-K343 PolarHBondContact O-N 3.47Å; K343-Y346 PolarHBondContact O-N 2.83Å; K343-F347 PolarHBondContact O-N 2.74Å; K343-Y437 HydrophobicContact CB-CD2 4.39Å; K343-Y437 HydrophobicContact CD-CD1 4.46Å; K343-Y437 HydrophobicContact CG-CD1 3.83Å; K343-Y437 HydrophobicContact CG-CD2 3.85Å; K343-Y437 HydrophobicContact CG-CE1 4.04Å; K343-Y437 HydrophobicContact CG-CE2 4.06Å; K343-Y437 HydrophobicContact CG-CG 3.73Å; K343-N439 WeakPolarHBondContact CD-O 3.4Å; K343-N439 WeakPolarHBondContact CE-O 3.33Å; K343-N439 PolarHBondContact NZ-O 3Å; K343-I440 HydrophobicContact CB-CB 4.43Å; K343-I440 HydrophobicContact CB-CG2 4.3Å |
| 344 | R | 96.7 | Very high | 96.1 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.7 | -70.6 | -176.7 | 171.1 | -156.5 | -5 | 111.9 | R312 D313 L340 L341 F347 H348 Y402 L441 | R312-R344 PolarHBondContact O-NH1 2.82Å; R312-R344 PolarHBondContact O-NH2 3.06Å; D313-R344 IonicContact OD1-NH1 3.74Å; D313-R344 PolarHBondContact OD1-NH1 3.43Å; L340-R344 HydrophobicContact CD1-CG 4.48Å; L340-R344 WeakPolarHBondContact O-CG 3.18Å; L340-R344 PolarHBondContact O-N 3.13Å; L341-R344 PolarHBondContact O-N 2.91Å; R344-F347 PolarHBondContact O-N 3.07Å; R344-H348 PolarHBondContact O-N 2.9Å; R344-Y402 HydrophobicContact CB-CD1 4.14Å; R344-Y402 HydrophobicContact CB-CE1 3.53Å; R344-Y402 HydrophobicContact CB-CE2 4.48Å; R344-Y402 HydrophobicContact CG-CD1 3.64Å; R344-Y402 HydrophobicContact CG-CD2 4.17Å; R344-Y402 HydrophobicContact CG-CE1 3.51Å; R344-Y402 HydrophobicContact CG-CE2 4.05Å; R344-Y402 HydrophobicContact CG-CG 3.96Å; R344-L441 PolarHBondContact NE-O 3.29Å; R344-L441 PolarHBondContact NH2-O 3.41Å |
| 345 | E | 96.6 | Very high | 96.3 | Very high | 126 Ų | 126 | 61.1 Ų | 61.1 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 173.9 | -174.2 | -174.6 | 177 | 0 | 0 | 112.3 | L341 F347 H348 N349 | L341-E345 PolarHBondContact O-N 2.93Å; E345-F347 VanDerWaalsContact C-N 3.28Å; E345-F347 PolarHBondContact O-N 3.12Å; E345-H348 WeakPolarHBondContact O-CB 3.26Å; E345-H348 PolarHBondContact O-N 3.27Å; E345-N349 PolarHBondContact O-N 2.86Å; E345-N349 VanDerWaalsContact O-N 3.13Å; E345-N349 PolarHBondContact O-ND2 3.49Å |
| 346 | Y | 97 | Very high | 96.4 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.3 | -45.3 | 173.7 | 171 | -97.6 | 0 | 0 | 0 | 111.3 | Q342 K343 N349 F350 F395 K435 R436 Y437 | Q342-Y346 WeakPolarHBondContact O-CB 3.38Å; Q342-Y346 PolarHBondContact O-N 3.37Å; K343-Y346 PolarHBondContact O-N 2.83Å; Y346-N349 PolarHBondContact O-N 2.91Å; Y346-F350 WeakPolarHBondContact O-CB 3.47Å; Y346-F350 PolarHBondContact O-N 2.79Å; Y346-F395 HydrophobicContact CE1-CZ 4.18Å; Y346-K435 WeakPolarHBondContact OH-CA 3.36Å; Y346-R436 HydrophobicContact CD2-CB 4.38Å; Y346-R436 HydrophobicContact CE2-CB 3.85Å; Y346-R436 PolarHBondContact OH-N 3.5Å; Y346-R436 VanDerWaalsContact OH-N 3.1Å; Y346-Y437 AromaticContact CD1-CD2 3.67Å; Y346-Y437 HydrophobicContact CD1-CD2 3.67Å; Y346-Y437 HydrophobicContact CD1-CG 4.36Å; Y346-Y437 HydrophobicContact CD2-CD2 4.4Å; Y346-Y437 HydrophobicContact CE1-CD2 4.37Å; Y346-Y437 AromaticContact CG-CD2 3.67Å; Y346-Y437 HydrophobicContact CG-CD2 3.67Å; Y346-Y437 HydrophobicContact CG-CE2 4.26Å |
| 347 | F | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.8 | -176.9 | -100.7 | 0 | 0 | 0 | 112.6 | K343 R344 E345 N349 F350 F351 F390 F395 A403 Y406 I440 | K343-F347 PolarHBondContact O-N 2.74Å; R344-F347 PolarHBondContact O-N 3.07Å; E345-F347 VanDerWaalsContact C-N 3.28Å; E345-F347 PolarHBondContact O-N 3.12Å; F347-N349 VanDerWaalsContact C-N 3.29Å; F347-N349 PolarHBondContact O-N 3.2Å; F347-F350 PolarHBondContact O-N 3.33Å; F347-F351 HydrophobicContact CE1-CB 4.14Å; F347-F351 HydrophobicContact CE1-CD2 4.17Å; F347-F351 HydrophobicContact CE1-CG 4.38Å; F347-F351 HydrophobicContact CZ-CB 4.31Å; F347-F351 AromaticContact CZ-CD2 3.81Å; F347-F351 HydrophobicContact CZ-CD2 3.81Å; F347-F351 HydrophobicContact CZ-CG 4.41Å; F347-F351 WeakPolarHBondContact O-CB 3.29Å; F347-F351 PolarHBondContact O-N 3.28Å; F347-F390 AromaticContact CE2-CZ 3.81Å; F347-F390 HydrophobicContact CE2-CZ 3.81Å; F347-F390 HydrophobicContact CZ-CE1 4.4Å; F347-F390 AromaticContact CZ-CZ 3.78Å; F347-F390 HydrophobicContact CZ-CZ 3.78Å; F347-F395 HydrophobicContact CD2-CD1 4.18Å; F347-F395 AromaticContact CD2-CD2 3.97Å; F347-F395 HydrophobicContact CD2-CD2 3.97Å; F347-F395 HydrophobicContact CD2-CE1 4.15Å; F347-F395 AromaticContact CD2-CE2 3.96Å; F347-F395 HydrophobicContact CD2-CE2 3.96Å; F347-F395 HydrophobicContact CD2-CG 4.09Å; F347-F395 HydrophobicContact CD2-CZ 4.05Å; F347-F395 HydrophobicContact CE2-CB 4.1Å; F347-F395 HydrophobicContact CE2-CD1 4.23Å; F347-F395 AromaticContact CE2-CD2 3.63Å; F347-F395 HydrophobicContact CE2-CD2 3.63Å; F347-F395 HydrophobicContact CE2-CE2 4.06Å; F347-F395 AromaticContact CE2-CG 3.73Å; F347-F395 HydrophobicContact CE2-CG 3.73Å; F347-A403 HydrophobicContact CE1-CB 3.9Å; F347-A403 HydrophobicContact CE2-CB 3.88Å; F347-A403 HydrophobicContact CZ-CB 3.39Å; F347-Y406 AromaticContact CD1-CD2 3.95Å; F347-Y406 HydrophobicContact CD1-CD2 3.95Å; F347-Y406 AromaticContact CD1-CE2 3.75Å; F347-Y406 HydrophobicContact CD1-CE2 3.75Å; F347-Y406 AromaticContact CE1-CD2 3.43Å; F347-Y406 HydrophobicContact CE1-CD2 3.43Å; F347-Y406 VanDerWaalsContact CE1-CD2 3.43Å; F347-Y406 AromaticContact CE1-CE2 3.75Å; F347-Y406 HydrophobicContact CE1-CE2 3.75Å; F347-Y406 HydrophobicContact CE1-CG 4.09Å; F347-I440 HydrophobicContact CB-CB 4.49Å; F347-I440 HydrophobicContact CB-CD1 3.64Å; F347-I440 HydrophobicContact CB-CG2 4.14Å; F347-I440 HydrophobicContact CD1-CD1 3.73Å; F347-I440 HydrophobicContact CD2-CD1 3.24Å; F347-I440 HydrophobicContact CE1-CD1 4.17Å; F347-I440 HydrophobicContact CE2-CD1 3.7Å; F347-I440 HydrophobicContact CG-CD1 3.21Å; F347-I440 HydrophobicContact CZ-CD1 4.15Å |
| 348 | H | 96 | Very high | 96.5 | Very high | 75 Ų | 75 | 54.2 Ų | 54.2 | 35% | 0.347 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -52.4 | -49.8 | 176.3 | 178.7 | 76.8 | 0 | 0 | 0 | 111.3 | R344 E345 F351 K352 Y406 | R344-H348 PolarHBondContact O-N 2.9Å; E345-H348 WeakPolarHBondContact O-CB 3.26Å; E345-H348 PolarHBondContact O-N 3.27Å; H348-F351 PolarHBondContact O-N 3.29Å; H348-K352 WeakPolarHBondContact O-CB 3.5Å; H348-K352 PolarHBondContact O-N 2.69Å; H348-Y406 WeakPolarHBondContact CB-OH 3.45Å; H348-Y406 AromaticContact ND1-CE1 3.47Å; H348-Y406 WeakPolarHBondContact ND1-CE1 3.47Å; H348-Y406 AromaticContact ND1-CZ 3.59Å; H348-Y406 PolarHBondContact ND1-OH 3.48Å |
| 349 | N | 96.3 | Very high | 96.5 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -39.7 | 179.6 | -69.9 | -41.9 | 0 | 0 | 0 | 112.5 | E345 Y346 F347 K353 | E345-N349 PolarHBondContact O-N 2.86Å; E345-N349 VanDerWaalsContact O-N 3.13Å; E345-N349 PolarHBondContact O-ND2 3.49Å; Y346-N349 PolarHBondContact O-N 2.91Å; F347-N349 VanDerWaalsContact C-N 3.29Å; F347-N349 PolarHBondContact O-N 3.2Å; N349-K353 PolarHBondContact O-N 3.41Å |
| 350 | F | 96.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -50 | 174 | 173.5 | -88.9 | 0 | 0 | 0 | 111.4 | Y346 F347 K352 K353 L354 F390 C394 F395 V430 | Y346-F350 WeakPolarHBondContact O-CB 3.47Å; Y346-F350 PolarHBondContact O-N 2.79Å; F347-F350 PolarHBondContact O-N 3.33Å; F350-K352 PolarHBondContact O-N 3.29Å; F350-K353 PolarHBondContact O-N 2.88Å; F350-L354 HydrophobicContact CE1-CD2 4.38Å; F350-L354 WeakPolarHBondContact O-CB 3.36Å; F350-L354 PolarHBondContact O-N 2.95Å; F350-F390 HydrophobicContact CE1-CE2 4.35Å; F350-C394 HydrophobicContact CE1-CB 4.3Å; F350-C394 HydrophobicContact CZ-CB 4.39Å; F350-F395 HydrophobicContact CD1-CD2 4.14Å; F350-F395 AromaticContact CD1-CE2 3.56Å; F350-F395 HydrophobicContact CD1-CE2 3.56Å; F350-F395 HydrophobicContact CD2-CE2 4.43Å; F350-F395 AromaticContact CE1-CD2 3.86Å; F350-F395 HydrophobicContact CE1-CD2 3.86Å; F350-F395 AromaticContact CE1-CE2 3.55Å; F350-F395 HydrophobicContact CE1-CE2 3.55Å; F350-F395 HydrophobicContact CE2-CE2 4.4Å; F350-F395 HydrophobicContact CG-CE2 4.04Å; F350-F395 HydrophobicContact CZ-CD2 4.47Å; F350-F395 AromaticContact CZ-CE2 3.98Å; F350-F395 HydrophobicContact CZ-CE2 3.98Å; F350-V430 HydrophobicContact CE2-CG1 4.03Å; F350-V430 HydrophobicContact CZ-CG1 4.15Å |
| 351 | F | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | -177.5 | -164.9 | -85.6 | 0 | 0 | 0 | 111.2 | F347 H348 K353 L354 V355 F370 F390 Y406 V409 F410 | F347-F351 HydrophobicContact CE1-CB 4.14Å; F347-F351 HydrophobicContact CE1-CD2 4.17Å; F347-F351 HydrophobicContact CE1-CG 4.38Å; F347-F351 HydrophobicContact CZ-CB 4.31Å; F347-F351 AromaticContact CZ-CD2 3.81Å; F347-F351 HydrophobicContact CZ-CD2 3.81Å; F347-F351 HydrophobicContact CZ-CG 4.41Å; F347-F351 WeakPolarHBondContact O-CB 3.29Å; F347-F351 PolarHBondContact O-N 3.28Å; H348-F351 PolarHBondContact O-N 3.29Å; F351-K353 PolarHBondContact O-N 2.83Å; F351-L354 HydrophobicContact CD2-CD2 4.42Å; F351-L354 WeakPolarHBondContact O-CB 3.29Å; F351-L354 PolarHBondContact O-N 2.65Å; F351-V355 HydrophobicContact CD1-CG2 3.84Å; F351-V355 HydrophobicContact CE1-CG2 3.49Å; F351-V355 VanDerWaalsContact CE1-CG2 3.49Å; F351-V355 HydrophobicContact CZ-CG2 4.21Å; F351-V355 WeakPolarHBondContact O-CG2 3.31Å; F351-V355 PolarHBondContact O-N 3.03Å; F351-F370 AromaticContact CD1-CE1 3.94Å; F351-F370 HydrophobicContact CD1-CE1 3.94Å; F351-F370 HydrophobicContact CD1-CZ 4.24Å; F351-F370 HydrophobicContact CE1-CE1 4.22Å; F351-F390 AromaticContact CD2-CE2 3.9Å; F351-F390 HydrophobicContact CD2-CE2 3.9Å; F351-F390 AromaticContact CD2-CZ 3.97Å; F351-F390 HydrophobicContact CD2-CZ 3.97Å; F351-F390 HydrophobicContact CE2-CD2 4.48Å; F351-F390 AromaticContact CE2-CE2 3.94Å; F351-F390 HydrophobicContact CE2-CE2 3.94Å; F351-F390 HydrophobicContact CE2-CZ 4.09Å; F351-Y406 AromaticContact CD1-CD1 3.84Å; F351-Y406 HydrophobicContact CD1-CD1 3.84Å; F351-Y406 HydrophobicContact CD1-CG 4.06Å; F351-Y406 HydrophobicContact CE1-CD1 4.33Å; F351-Y406 HydrophobicContact CE1-CG 4.36Å; F351-Y406 HydrophobicContact CG-CD1 4.27Å; F351-Y406 HydrophobicContact CG-CG 4.2Å; F351-Y406 WeakPolarHBondContact CZ-O 3.27Å; F351-V409 HydrophobicContact CE1-CB 3.84Å; F351-V409 HydrophobicContact CE1-CG1 4.15Å; F351-V409 HydrophobicContact CE1-CG2 3.95Å; F351-V409 HydrophobicContact CZ-CB 4.21Å; F351-F410 HydrophobicContact CE2-CE1 4.07Å; F351-F410 HydrophobicContact CE2-CE2 4.29Å; F351-F410 AromaticContact CE2-CZ 3.64Å; F351-F410 HydrophobicContact CE2-CZ 3.64Å; F351-F410 HydrophobicContact CZ-CD1 4.45Å; F351-F410 AromaticContact CZ-CE1 3.83Å; F351-F410 HydrophobicContact CZ-CE1 3.83Å; F351-F410 HydrophobicContact CZ-CE2 4.43Å; F351-F410 AromaticContact CZ-CZ 3.82Å; F351-F410 HydrophobicContact CZ-CZ 3.82Å |
| 352 | K | 96.3 | Very high | 96.2 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 171.9 | -172.5 | 174.6 | -179.3 | 175.7 | 0 | 112.1 | H348 F350 L354 V355 L356 F370 | H348-K352 WeakPolarHBondContact O-CB 3.5Å; H348-K352 PolarHBondContact O-N 2.69Å; F350-K352 PolarHBondContact O-N 3.29Å; K352-L354 VanDerWaalsContact C-N 3.33Å; K352-L354 PolarHBondContact O-N 3.09Å; K352-V355 PolarHBondContact O-N 3.29Å; K352-L356 HydrophobicContact CG-CD1 4.17Å; K352-L356 VanDerWaalsContact O-CG 3.28Å; K352-L356 WeakPolarHBondContact O-CG 3.27Å; K352-L356 PolarHBondContact O-N 3.26Å; K352-F370 HydrophobicContact CB-CZ 4.39Å; K352-F370 HydrophobicContact CG-CZ 4.44Å |
| 353 | K | 96 | Very high | 96 | Very high | 136 Ų | 136 | 55.7 Ų | 55.7 | 59% | 0.591 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 176.1 | -178.8 | -178.1 | 177.7 | -176.9 | 0 | 112 | N349 F350 F351 T357 | N349-K353 PolarHBondContact O-N 3.41Å; F350-K353 PolarHBondContact O-N 2.88Å; F351-K353 PolarHBondContact O-N 2.83Å; K353-T357 WeakPolarHBondContact O-CB 3.29Å; K353-T357 PolarHBondContact O-N 3.44Å; K353-T357 PolarHBondContact O-OG1 3.47Å |
| 354 | L | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 177.4 | 171.1 | 63.8 | 0 | 0 | 0 | 110.6 | F350 F351 K352 L356 T357 M358 F390 M427 V430 | F350-L354 HydrophobicContact CE1-CD2 4.38Å; F350-L354 WeakPolarHBondContact O-CB 3.36Å; F350-L354 PolarHBondContact O-N 2.95Å; F351-L354 HydrophobicContact CD2-CD2 4.42Å; F351-L354 WeakPolarHBondContact O-CB 3.29Å; F351-L354 PolarHBondContact O-N 2.65Å; K352-L354 VanDerWaalsContact C-N 3.33Å; K352-L354 PolarHBondContact O-N 3.09Å; L354-L356 PolarHBondContact O-N 3.39Å; L354-T357 PolarHBondContact O-N 3.44Å; L354-T357 VanDerWaalsContact O-N 3.14Å; L354-M358 HydrophobicContact CD1-CE 4.49Å; L354-M358 HydrophobicContact CD1-CG 3.97Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CG-CE 3.99Å; L354-M358 HydrophobicContact CG-CG 4.42Å; L354-M358 HydrophobicContact CG-SD 4.06Å; L354-M358 WeakPolarHBondContact O-CG 3.19Å; L354-M358 PolarHBondContact O-N 3.16Å; L354-F390 HydrophobicContact CD2-CD2 3.64Å; L354-F390 HydrophobicContact CD2-CE2 3.56Å; L354-M427 HydrophobicContact CD1-CB 4.06Å; L354-M427 HydrophobicContact CD1-CG 3.9Å; L354-V430 HydrophobicContact CB-CG1 4.1Å; L354-V430 HydrophobicContact CD1-CB 3.84Å; L354-V430 HydrophobicContact CD1-CG1 4.09Å; L354-V430 HydrophobicContact CD1-CG2 4.2Å |
| 355 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59 | -48.6 | -179.7 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F351 K352 T357 M358 V359 L369 F370 V409 I413 | F351-V355 HydrophobicContact CD1-CG2 3.84Å; F351-V355 HydrophobicContact CE1-CG2 3.49Å; F351-V355 VanDerWaalsContact CE1-CG2 3.49Å; F351-V355 HydrophobicContact CZ-CG2 4.21Å; F351-V355 WeakPolarHBondContact O-CG2 3.31Å; F351-V355 PolarHBondContact O-N 3.03Å; K352-V355 PolarHBondContact O-N 3.29Å; V355-T357 PolarHBondContact O-N 3.07Å; V355-M358 HydrophobicContact CB-CE 4.3Å; V355-M358 HydrophobicContact CG2-CE 3.87Å; V355-M358 PolarHBondContact O-N 3.03Å; V355-V359 WeakPolarHBondContact O-CG2 2.95Å; V355-V359 PolarHBondContact O-N 2.99Å; V355-V359 VanDerWaalsContact O-N 3.15Å; V355-L369 HydrophobicContact CG1-CB 4.44Å; V355-L369 HydrophobicContact CG1-CD1 3.98Å; V355-F370 HydrophobicContact CB-CE2 3.87Å; V355-F370 HydrophobicContact CB-CZ 3.7Å; V355-F370 HydrophobicContact CG1-CE2 3.66Å; V355-F370 HydrophobicContact CG1-CZ 3.95Å; V355-F370 HydrophobicContact CG2-CE1 4.47Å; V355-F370 HydrophobicContact CG2-CE2 4.3Å; V355-F370 HydrophobicContact CG2-CZ 3.7Å; V355-V409 HydrophobicContact CG1-CG1 4.02Å; V355-V409 HydrophobicContact CG2-CG1 3.65Å; V355-I413 HydrophobicContact CG1-CD1 4.33Å |
| 356 | L | 96.2 | Very high | 95.4 | Very high | 76 Ų | 76 | 53.8 Ų | 53.8 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -54 | -42.1 | 176.2 | -71.7 | 168.7 | 0 | 0 | 0 | 112.1 | K352 L354 D360 P366 | K352-L356 HydrophobicContact CG-CD1 4.17Å; K352-L356 VanDerWaalsContact O-CG 3.28Å; K352-L356 WeakPolarHBondContact O-CG 3.27Å; K352-L356 PolarHBondContact O-N 3.26Å; L354-L356 PolarHBondContact O-N 3.39Å; L356-D360 WeakPolarHBondContact O-CB 3.28Å; L356-D360 PolarHBondContact O-N 3.17Å; L356-D360 VanDerWaalsContact O-N 3.13Å; L356-P366 HydrophobicContact CD2-CB 3.51Å; L356-P366 HydrophobicContact CD2-CG 3.76Å |
| 357 | T | 96.4 | Very high | 95.1 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.9 | -41.6 | -179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | K353 L354 V355 V359 D360 K426 V430 | K353-T357 WeakPolarHBondContact O-CB 3.29Å; K353-T357 PolarHBondContact O-N 3.44Å; K353-T357 PolarHBondContact O-OG1 3.47Å; L354-T357 PolarHBondContact O-N 3.44Å; L354-T357 VanDerWaalsContact O-N 3.14Å; V355-T357 PolarHBondContact O-N 3.07Å; T357-V359 VanDerWaalsContact C-N 3.34Å; T357-V359 PolarHBondContact O-N 2.81Å; T357-D360 WeakPolarHBondContact O-CB 3.08Å; T357-D360 PolarHBondContact O-N 2.95Å; T357-K426 HydrophobicContact CG2-CB 4.45Å; T357-K426 VanDerWaalsContact O-CD 3.32Å; T357-K426 WeakPolarHBondContact O-CD 3.48Å; T357-K426 WeakPolarHBondContact O-CE 3.28Å; T357-K426 PolarHBondContact O-NZ 3Å; T357-V430 HydrophobicContact CG2-CG2 3.61Å |
| 358 | M | 96.5 | Very high | 94.9 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -46.1 | 179.8 | -72.9 | -173.7 | -52.4 | 0 | 0 | 111.6 | L354 V355 M386 F410 I413 K426 M427 | L354-M358 HydrophobicContact CD1-CE 4.49Å; L354-M358 HydrophobicContact CD1-CG 3.97Å; L354-M358 HydrophobicContact CD1-SD 3.93Å; L354-M358 HydrophobicContact CG-CE 3.99Å; L354-M358 HydrophobicContact CG-CG 4.42Å; L354-M358 HydrophobicContact CG-SD 4.06Å; L354-M358 WeakPolarHBondContact O-CG 3.19Å; L354-M358 PolarHBondContact O-N 3.16Å; V355-M358 HydrophobicContact CB-CE 4.3Å; V355-M358 HydrophobicContact CG2-CE 3.87Å; V355-M358 PolarHBondContact O-N 3.03Å; M358-M386 HydrophobicContact CE-CE 4.12Å; M358-M386 HydrophobicContact SD-CE 3.66Å; M358-F410 HydrophobicContact CE-CD1 4.38Å; M358-F410 HydrophobicContact CE-CE1 3.94Å; M358-I413 HydrophobicContact CE-CD1 3.52Å; M358-K426 HydrophobicContact CG-CB 4.5Å; M358-K426 WeakPolarHBondContact O-CD 3.27Å; M358-K426 PolarHBondContact O-NZ 3.5Å; M358-M427 HydrophobicContact CG-CB 4.37Å; M358-M427 HydrophobicContact SD-CB 4.04Å; M358-M427 HydrophobicContact SD-CE 3.65Å |
| 359 | V | 96.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -92.8 | 0.7 | -177 | -53.7 | 0 | 0 | 0 | 0 | 114.3 | V355 T357 G361 S362 P366 L369 I413 L418 | V355-V359 WeakPolarHBondContact O-CG2 2.95Å; V355-V359 PolarHBondContact O-N 2.99Å; V355-V359 VanDerWaalsContact O-N 3.15Å; T357-V359 VanDerWaalsContact C-N 3.34Å; T357-V359 PolarHBondContact O-N 2.81Å; V359-G361 PolarHBondContact O-N 3.09Å; V359-S362 VanDerWaalsContact O-CB 3.31Å; V359-S362 WeakPolarHBondContact O-CB 3.37Å; V359-S362 PolarHBondContact O-N 3.29Å; V359-S362 PolarHBondContact O-OG 2.83Å; V359-P366 HydrophobicContact CG2-CB 4.01Å; V359-P366 HydrophobicContact CG2-CG 3.76Å; V359-L369 HydrophobicContact CB-CD1 4.42Å; V359-L369 HydrophobicContact CG1-CD1 3.7Å; V359-L369 HydrophobicContact CG2-CD1 4.09Å; V359-I413 HydrophobicContact CG1-CG1 4.27Å; V359-L418 HydrophobicContact CB-CD1 4.38Å; V359-L418 HydrophobicContact CG1-CD1 3.86Å |
| 360 | D | 95 | Very high | 94.8 | Very high | 117 Ų | 117 | 55 Ų | 55 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 130.9 | 176.8 | -177.8 | 36.8 | 0 | 0 | 0 | 112.6 | L356 T357 S362 K426 | L356-D360 WeakPolarHBondContact O-CB 3.28Å; L356-D360 PolarHBondContact O-N 3.17Å; L356-D360 VanDerWaalsContact O-N 3.13Å; T357-D360 WeakPolarHBondContact O-CB 3.08Å; T357-D360 PolarHBondContact O-N 2.95Å; D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 3.42Å; D360-K426 PolarHBondContact O-NZ 3.44Å |
| 361 | G | 93.3 | Very high | 94.6 | Very high | 71 Ų | 71 | 58.9 Ų | 58.9 | 73% | 0.732 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V359 | V359-G361 PolarHBondContact O-N 3.09Š|
| 362 | S | 93.9 | Very high | 94.3 | Very high | 35 Ų | 35 | 62.9 Ų | 62.9 | 25% | 0.245 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -100.6 | 165.6 | 159.9 | 74.1 | 0 | 0 | 0 | 0 | 110.2 | V359 D360 V364 | V359-S362 VanDerWaalsContact O-CB 3.31Å; V359-S362 WeakPolarHBondContact O-CB 3.37Å; V359-S362 PolarHBondContact O-N 3.29Å; V359-S362 PolarHBondContact O-OG 2.83Å; D360-S362 VanDerWaalsContact C-N 3.28Å; D360-S362 PolarHBondContact O-N 3.42Å; S362-V364 PolarHBondContact O-N 2.62Å; S362-V364 PolarHBondContact OG-N 3.18Å |
| 363 | D | 92.8 | Very high | 93.7 | Very high | 177 Ų | 177 | 62.3 Ų | 62.3 | 95% | 0.947 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -80.8 | 6.8 | 176.9 | -61.9 | -39.2 | 0 | 0 | 0 | 113.4 | ||
| 364 | V | 93.3 | Very high | 93.1 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | trans | -84.1 | 128.6 | -177.5 | 177.6 | 0 | 0 | 0 | 0 | 110.4 | S362 P366 L369 Q416 L418 | S362-V364 PolarHBondContact O-N 2.62Å; S362-V364 PolarHBondContact OG-N 3.18Å; V364-P366 WeakPolarHBondContact O-CD 3.45Å; V364-L369 HydrophobicContact CG1-CD1 3.88Å; V364-L369 HydrophobicContact CG1-CD2 3.88Å; V364-L369 HydrophobicContact CG1-CG 3.88Å; V364-Q416 HydrophobicContact CG1-CG 4.08Å; V364-Q416 HydrophobicContact CG2-CB 3.98Å; V364-Q416 HydrophobicContact CG2-CG 3.84Å; V364-L418 HydrophobicContact CG2-CD1 4.13Å; V364-L418 HydrophobicContact CG2-CD2 4.14Å; V364-L418 HydrophobicContact CG2-CG 4.41Å | ||
| 365 | D | 93.2 | Very high | 92.4 | Very high | 77 Ų | 77 | 63.2 Ų | 63.2 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | trans | -69.9 | 114.6 | 168.3 | -176.6 | -10.4 | 0 | 0 | 0 | 109.9 | L367 L368 | D365-L367 PolarHBondContact O-N 2.79Å; D365-L367 VanDerWaalsContact O-N 3.14Å; D365-L367 WeakPolarHBondContact OD1-CB 3.24Å; D365-L367 PolarHBondContact OD1-N 3.04Å; D365-L368 HydrophobicContact CB-CD1 3.97Å; D365-L368 HydrophobicContact CB-CG 3.99Å; D365-L368 PolarHBondContact O-N 2.63Å | ||
| 366 | P | 91.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.3 | -178.6 | -19.5 | 31.7 | 0 | 0 | 0 | 113.8 | L356 V359 V364 L369 F370 | L356-P366 HydrophobicContact CD2-CB 3.51Å; L356-P366 HydrophobicContact CD2-CG 3.76Å; V359-P366 HydrophobicContact CG2-CB 4.01Å; V359-P366 HydrophobicContact CG2-CG 3.76Å; V364-P366 WeakPolarHBondContact O-CD 3.45Å; P366-L369 WeakPolarHBondContact O-CB 3.45Å; P366-L369 PolarHBondContact O-N 2.97Å; P366-F370 VanDerWaalsContact O-CD2 3.3Å; P366-F370 WeakPolarHBondContact O-CD2 3.32Å |
| 367 | L | 90.3 | Very high | 91.6 | Very high | 110 Ų | 110 | 62.4 Ų | 62.4 | 58% | 0.576 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -38.2 | 179.2 | -65.2 | 176.2 | 0 | 0 | 0 | 111.7 | D365 L369 F370 | D365-L367 PolarHBondContact O-N 2.79Å; D365-L367 VanDerWaalsContact O-N 3.14Å; D365-L367 WeakPolarHBondContact OD1-CB 3.24Å; D365-L367 PolarHBondContact OD1-N 3.04Å; L367-L369 PolarHBondContact O-N 3.2Å; L367-F370 PolarHBondContact O-N 3.37Å; L367-F370 VanDerWaalsContact O-N 3.09Å |
| 368 | L | 92.9 | Very high | 91.5 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -63.6 | -29.9 | 178.1 | -63.3 | 179.4 | 0 | 0 | 0 | 112 | D365 F370 E371 | D365-L368 HydrophobicContact CB-CD1 3.97Å; D365-L368 HydrophobicContact CB-CG 3.99Å; D365-L368 PolarHBondContact O-N 2.63Å; L368-F370 PolarHBondContact O-N 3Å; L368-E371 WeakPolarHBondContact O-CB 3.43Å; L368-E371 PolarHBondContact O-N 2.89Å; L368-E371 VanDerWaalsContact O-N 3.09Å |
| 369 | L | 94.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -66.4 | -20.8 | 177.6 | -60.3 | 174.3 | 0 | 0 | 0 | 113 | V355 V359 V364 P366 L367 V409 N412 I413 Q416 | V355-L369 HydrophobicContact CG1-CB 4.44Å; V355-L369 HydrophobicContact CG1-CD1 3.98Å; V359-L369 HydrophobicContact CB-CD1 4.42Å; V359-L369 HydrophobicContact CG1-CD1 3.7Å; V359-L369 HydrophobicContact CG2-CD1 4.09Å; V364-L369 HydrophobicContact CG1-CD1 3.88Å; V364-L369 HydrophobicContact CG1-CD2 3.88Å; V364-L369 HydrophobicContact CG1-CG 3.88Å; P366-L369 WeakPolarHBondContact O-CB 3.45Å; P366-L369 PolarHBondContact O-N 2.97Å; L367-L369 PolarHBondContact O-N 3.2Å; L369-V409 HydrophobicContact CB-CG1 4.08Å; L369-V409 WeakPolarHBondContact O-CG2 3.25Å; L369-N412 HydrophobicContact CD2-CB 3.92Å; L369-N412 PolarHBondContact O-ND2 3.47Å; L369-I413 HydrophobicContact CD1-CD1 4.45Å; L369-I413 HydrophobicContact CD1-CG1 3.74Å; L369-I413 HydrophobicContact CD2-CG1 4.07Å; L369-I413 HydrophobicContact CG-CG1 4.41Å; L369-Q416 HydrophobicContact CD2-CG 4.11Å |
| 370 | F | 95.2 | Very high | 91.5 | Very high | 46 Ų | 46 | 69 Ų | 69 | 20% | 0.202 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -88.9 | 0.3 | 175.6 | -74.4 | -81.1 | 0 | 0 | 0 | 113.5 | F351 K352 V355 P366 L367 L368 Y408 V409 | F351-F370 AromaticContact CD1-CE1 3.94Å; F351-F370 HydrophobicContact CD1-CE1 3.94Å; F351-F370 HydrophobicContact CD1-CZ 4.24Å; F351-F370 HydrophobicContact CE1-CE1 4.22Å; K352-F370 HydrophobicContact CB-CZ 4.39Å; K352-F370 HydrophobicContact CG-CZ 4.44Å; V355-F370 HydrophobicContact CB-CE2 3.87Å; V355-F370 HydrophobicContact CB-CZ 3.7Å; V355-F370 HydrophobicContact CG1-CE2 3.66Å; V355-F370 HydrophobicContact CG1-CZ 3.95Å; V355-F370 HydrophobicContact CG2-CE1 4.47Å; V355-F370 HydrophobicContact CG2-CE2 4.3Å; V355-F370 HydrophobicContact CG2-CZ 3.7Å; P366-F370 VanDerWaalsContact O-CD2 3.3Å; P366-F370 WeakPolarHBondContact O-CD2 3.32Å; L367-F370 PolarHBondContact O-N 3.37Å; L367-F370 VanDerWaalsContact O-N 3.09Å; L368-F370 PolarHBondContact O-N 3Å; F370-Y408 PolarHBondContact O-OH 2.85Å; F370-V409 HydrophobicContact CD1-CG2 3.9Å; F370-V409 HydrophobicContact CE1-CG2 4.03Å |
| 371 | E | 92.7 | Very high | 91.6 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -85 | 131.5 | 174.1 | -61.1 | -176.7 | 174 | 0 | 0 | 110.3 | L368 Q373 N412 | L368-E371 WeakPolarHBondContact O-CB 3.43Å; L368-E371 PolarHBondContact O-N 2.89Å; L368-E371 VanDerWaalsContact O-N 3.09Å; E371-Q373 PolarHBondContact O-N 3.2Å; E371-N412 PolarHBondContact O-ND2 2.82Å |
| 372 | R | 90.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | trans | -75 | 121.4 | 173.1 | -74.5 | -174.7 | 172.7 | -117.6 | -7.6 | 108.5 | E191 Q215 K405 Y408 | E191-R372 IonicContact OE1-CZ 3.78Å; E191-R372 IonicContact OE1-NH1 3.29Å; E191-R372 PolarHBondContact OE1-NH1 3.29Å; E191-R372 IonicContact OE1-NH2 3.49Å; E191-R372 PolarHBondContact OE1-NH2 3.37Å; Q215-R372 PolarHBondContact O-NH1 3.22Å; R372-K405 PolarHBondContact NH2-O 3.35Å; R372-Y408 HydrophobicContact CG-CD1 4.31Å; R372-Y408 HydrophobicContact CG-CD2 3.9Å; R372-Y408 HydrophobicContact CG-CE1 4.15Å; R372-Y408 HydrophobicContact CG-CE2 3.7Å; R372-Y408 HydrophobicContact CG-CG 4.19Å | ||
| 373 | Q | 83.7 | Confident | 92.1 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -120.2 | 152.8 | -178.5 | -65.2 | -178.4 | 6.6 | 0 | 0 | 109.6 | Q215 E371 I375 | Q215-Q373 PolarHBondContact NE2-O 3.18Å; E371-Q373 PolarHBondContact O-N 3.2Å; Q373-I375 HydrophobicContact CB-CD1 3.73Å; Q373-I375 HydrophobicContact CB-CG1 3.47Å; Q373-I375 VanDerWaalsContact CB-CG1 3.47Å; Q373-I375 PolarHBondContact O-N 2.96Å; Q373-I375 VanDerWaalsContact OE1-CD1 3.32Å | ||
| 374 | D | 83.8 | Confident | 92.3 | Very high | 122 Ų | 122 | 56.4 Ų | 56.4 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | trans | -89 | 80.2 | 173.1 | -161.5 | 12.1 | 0 | 0 | 0 | 107.9 | Q215 | Q215-D374 VanDerWaalsContact NE2-CB 3.29Š| ||
| 375 | I | 81.1 | Confident | 92.6 | Very high | 32 Ų | 32 | 58.5 Ų | 58.5 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | trans | -104 | 134.4 | -174.5 | -49.4 | 177.8 | 0 | 0 | 0 | 109.4 | Q373 M377 N412 E415 | Q373-I375 HydrophobicContact CB-CD1 3.73Å; Q373-I375 HydrophobicContact CB-CG1 3.47Å; Q373-I375 VanDerWaalsContact CB-CG1 3.47Å; Q373-I375 PolarHBondContact O-N 2.96Å; Q373-I375 VanDerWaalsContact OE1-CD1 3.32Å; I375-M377 PolarHBondContact O-N 2.87Å; I375-N412 VanDerWaalsContact CD1-OD1 3.3Å; I375-N412 WeakPolarHBondContact CD1-OD1 3.29Å; I375-E415 HydrophobicContact CG2-CB 4.48Å; I375-E415 HydrophobicContact CG2-CG 3.9Å | ||
| 376 | S | 87 | Confident | 92.8 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | trans | -72.4 | 119.4 | 163.7 | -72.4 | 0 | 0 | 0 | 0 | 109.5 | S198 T378 | S198-S376 PolarHBondContact OG-OG 3.06Å; S376-T378 PolarHBondContact O-N 3.09Å; S376-T378 VanDerWaalsContact O-N 3.14Å | ||
| 377 | M | 91.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | trans | -70.7 | 107.2 | 179.1 | -63 | -176.4 | 60.1 | 0 | 0 | 110.5 | H152 V164 I375 L380 H383 V411 | H152-M377 VanDerWaalsContact CD2-SD 3.57Å; V164-M377 HydrophobicContact CG1-CE 3.44Å; V164-M377 VanDerWaalsContact CG1-CE 3.44Å; V164-M377 HydrophobicContact CG1-SD 3.9Å; I375-M377 PolarHBondContact O-N 2.87Å; M377-L380 HydrophobicContact CB-CD2 3.85Å; M377-L380 HydrophobicContact CE-CD2 4.33Å; M377-H383 HydrophobicContact CE-CB 4.09Å; M377-V411 HydrophobicContact CE-CG1 4.47Å; M377-V411 HydrophobicContact CE-CG2 3.92Å; M377-V411 HydrophobicContact CG-CG1 3.78Å; M377-V411 HydrophobicContact SD-CG1 4.42Å; M377-V411 HydrophobicContact SD-CG2 4.2Å | ||
| 378 | T | 93.6 | Very high | 93.5 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | trans | -102.1 | -26 | 177.7 | 73 | 0 | 0 | 0 | 0 | 112.2 | S376 L380 E415 | S376-T378 PolarHBondContact O-N 3.09Å; S376-T378 VanDerWaalsContact O-N 3.14Å; T378-L380 PolarHBondContact O-N 2.69Å; T378-E415 PolarHBondContact N-OE1 2.94Å; T378-E415 PolarHBondContact OG1-OE2 2.74Å | ||
| 379 | Q | 96.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | trans | -98 | 58.3 | -174.1 | -58.5 | -58.4 | -51.3 | 0 | 0 | 112.3 | D381 C382 H383 C414 E415 | Q379-D381 PolarHBondContact O-N 3.26Å; Q379-C382 HydrophobicContact CB-CB 4.11Å; Q379-C382 PolarHBondContact O-N 2.67Å; Q379-H383 PolarHBondContact O-N 3.15Å; Q379-C414 HydrophobicContact CB-CB 3.91Å; Q379-C414 WeakPolarHBondContact CG-O 3.29Å; Q379-E415 PolarHBondContact N-OE1 3.24Å | ||
| 380 | L | 96.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -37.2 | -172.5 | -55.4 | -172.7 | 0 | 0 | 0 | 114 | V164 T199 M377 T378 T384 | V164-L380 HydrophobicContact CG1-CD2 3.99Å; T199-L380 HydrophobicContact CG2-CD1 4.33Å; T199-L380 HydrophobicContact CG2-CD2 4.34Å; M377-L380 HydrophobicContact CB-CD2 3.85Å; M377-L380 HydrophobicContact CE-CD2 4.33Å; T378-L380 PolarHBondContact O-N 2.69Å; L380-T384 VanDerWaalsContact O-CB 3.31Å; L380-T384 WeakPolarHBondContact O-CB 3.33Å; L380-T384 PolarHBondContact O-N 2.88Å; L380-T384 PolarHBondContact O-OG1 3.11Å |
| 381 | D | 97.3 | Very high | 94 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 53% | 0.529 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66 | -45.4 | 176.2 | 177.3 | 68.2 | 0 | 0 | 0 | 111.3 | Q379 H383 T384 K385 | Q379-D381 PolarHBondContact O-N 3.26Å; D381-H383 PolarHBondContact O-N 3.41Å; D381-T384 PolarHBondContact O-N 2.57Å; D381-K385 WeakPolarHBondContact O-CB 3.28Å; D381-K385 WeakPolarHBondContact O-CG 3.47Å; D381-K385 PolarHBondContact O-N 3.27Å; D381-K385 WeakPolarHBondContact OD1-CE 3.38Å; D381-K385 IonicContact OD1-NZ 3.61Å; D381-K385 WeakPolarHBondContact OD2-CE 3.38Å; D381-K385 IonicContact OD2-NZ 2.74Å; D381-K385 PolarHBondContact OD2-NZ 3.22Å |
| 382 | C | 98.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -49 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Q379 T384 K385 M386 C414 V420 | Q379-C382 HydrophobicContact CB-CB 4.11Å; Q379-C382 PolarHBondContact O-N 2.67Å; C382-T384 VanDerWaalsContact C-N 3.34Å; C382-T384 PolarHBondContact O-N 2.86Å; C382-K385 PolarHBondContact O-N 3.44Å; C382-M386 WeakPolarHBondContact O-CB 3.18Å; C382-M386 WeakPolarHBondContact O-CG 3.47Å; C382-M386 PolarHBondContact O-N 3.28Å; C382-C414 HydrophobicContact CB-CB 3.69Å; C382-C414 WeakPolarHBondContact CB-SG 3.42Å; C382-C414 WeakPolarHBondContact SG-CA 3.37Å; C382-C414 WeakPolarHBondContact SG-CB 3.23Å; C382-C414 CovalentContact SG-SG 2.05Å; C382-C414 PolarHBondContact SG-SG 2.8Å; C382-V420 HydrophobicContact CB-CG2 4.42Å |
| 383 | H | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 179.4 | 174.7 | -92.4 | 0 | 0 | 0 | 111 | H152 G153 M377 Q379 D381 K385 M386 V387 V411 C414 | H152-H383 PolarHBondContact O-NE2 2.8Å; G153-H383 PolarHBondContact O-CE1 2.85Å; G153-H383 VanDerWaalsContact O-CE1 3.26Å; M377-H383 HydrophobicContact CE-CB 4.09Å; Q379-H383 PolarHBondContact O-N 3.15Å; D381-H383 PolarHBondContact O-N 3.41Å; H383-K385 PolarHBondContact O-N 3.01Å; H383-M386 PolarHBondContact O-N 3.32Å; H383-V387 WeakPolarHBondContact O-CB 3.2Å; H383-V387 VanDerWaalsContact O-CG2 3.31Å; H383-V387 WeakPolarHBondContact O-CG2 3.42Å; H383-V387 PolarHBondContact O-N 3.05Å; H383-V411 VanDerWaalsContact CD2-CG2 3.46Å; H383-V411 WeakPolarHBondContact CD2-CG2 3.18Å; H383-C414 PolarHBondContact N-SG 2.82Å |
| 384 | T | 98.2 | Very high | 95 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.1 | -46.6 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | T163 E166 L380 D381 C382 M386 V387 H388 | T163-T384 HydrophobicContact CG2-CG2 4.11Å; T163-T384 PolarHBondContact OG1-OG1 2.83Å; E166-T384 HydrophobicContact CG-CG2 4.38Å; L380-T384 VanDerWaalsContact O-CB 3.31Å; L380-T384 WeakPolarHBondContact O-CB 3.33Å; L380-T384 PolarHBondContact O-N 2.88Å; L380-T384 PolarHBondContact O-OG1 3.11Å; D381-T384 PolarHBondContact O-N 2.57Å; C382-T384 VanDerWaalsContact C-N 3.34Å; C382-T384 PolarHBondContact O-N 2.86Å; T384-M386 PolarHBondContact O-N 3Å; T384-V387 PolarHBondContact O-N 3.06Å; T384-H388 PolarHBondContact O-CD2 3.28Å; T384-H388 VanDerWaalsContact O-CD2 3.32Å; T384-H388 PolarHBondContact O-N 3.23Å; T384-H388 VanDerWaalsContact O-N 3.08Å |
| 385 | K | 98.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 37.1 Ų | 37.1 | 30% | 0.3 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.5 | -74.3 | 172.6 | 177.2 | 168.4 | 0 | 112.7 | D381 C382 H383 S389 V420 E421 L424 | D381-K385 WeakPolarHBondContact O-CB 3.28Å; D381-K385 WeakPolarHBondContact O-CG 3.47Å; D381-K385 PolarHBondContact O-N 3.27Å; D381-K385 WeakPolarHBondContact OD1-CE 3.38Å; D381-K385 IonicContact OD1-NZ 3.61Å; D381-K385 WeakPolarHBondContact OD2-CE 3.38Å; D381-K385 IonicContact OD2-NZ 2.74Å; D381-K385 PolarHBondContact OD2-NZ 3.22Å; C382-K385 PolarHBondContact O-N 3.44Å; H383-K385 PolarHBondContact O-N 3.01Å; K385-S389 WeakPolarHBondContact O-CB 3.45Å; K385-S389 PolarHBondContact O-N 3.44Å; K385-S389 PolarHBondContact O-OG 3.29Å; K385-V420 HydrophobicContact CB-CG2 4.24Å; K385-V420 HydrophobicContact CD-CG1 4.35Å; K385-V420 HydrophobicContact CD-CG2 4.36Å; K385-E421 IonicContact NZ-OE1 3.72Å; K385-L424 HydrophobicContact CB-CD1 4.25Å |
| 386 | M | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.7 | -71.5 | -72.9 | -71.6 | 0 | 0 | 111.8 | M358 C382 H383 T384 F390 F410 I413 V420 M423 L424 M427 | M358-M386 HydrophobicContact CE-CE 4.12Å; M358-M386 HydrophobicContact SD-CE 3.66Å; C382-M386 WeakPolarHBondContact O-CB 3.18Å; C382-M386 WeakPolarHBondContact O-CG 3.47Å; C382-M386 PolarHBondContact O-N 3.28Å; H383-M386 PolarHBondContact O-N 3.32Å; T384-M386 PolarHBondContact O-N 3Å; M386-F390 WeakPolarHBondContact O-CB 3.4Å; M386-F390 PolarHBondContact O-N 3.33Å; M386-F410 HydrophobicContact CB-CB 4.22Å; M386-F410 HydrophobicContact CB-CG 4.23Å; M386-F410 HydrophobicContact CE-CD1 3.76Å; M386-F410 HydrophobicContact CE-CE1 4.17Å; M386-I413 HydrophobicContact CE-CD1 4.45Å; M386-I413 HydrophobicContact CE-CG2 4.21Å; M386-V420 HydrophobicContact CG-CG2 4.23Å; M386-V420 HydrophobicContact SD-CG2 4.39Å; M386-M423 HydrophobicContact CE-CB 4.41Å; M386-M423 HydrophobicContact SD-CB 4.08Å; M386-L424 HydrophobicContact CG-CD2 4.41Å; M386-L424 HydrophobicContact SD-CD2 3.6Å; M386-L424 VanDerWaalsContact SD-CD2 3.6Å; M386-L424 HydrophobicContact SD-CG 4.4Å; M386-M427 HydrophobicContact CE-CE 3.7Å; M386-M427 HydrophobicContact SD-CE 3.94Å |
| 387 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -55.3 | 178.7 | 166.9 | 0 | 0 | 0 | 0 | 111.1 | I154 E161 T163 H383 T384 S389 F390 S391 F397 F410 | I154-V387 HydrophobicContact CD1-CB 4.31Å; I154-V387 HydrophobicContact CD1-CG1 3.68Å; I154-V387 HydrophobicContact CD1-CG2 3.57Å; I154-V387 HydrophobicContact CG1-CG1 4.23Å; I154-V387 HydrophobicContact CG1-CG2 4.13Å; E161-V387 HydrophobicContact CG-CG1 3.72Å; T163-V387 HydrophobicContact CG2-CB 4.21Å; T163-V387 HydrophobicContact CG2-CG1 3.96Å; H383-V387 WeakPolarHBondContact O-CB 3.2Å; H383-V387 VanDerWaalsContact O-CG2 3.31Å; H383-V387 WeakPolarHBondContact O-CG2 3.42Å; H383-V387 PolarHBondContact O-N 3.05Å; T384-V387 PolarHBondContact O-N 3.06Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 2.89Å; V387-F390 PolarHBondContact O-N 3.17Å; V387-F390 VanDerWaalsContact O-N 3.17Å; V387-S391 PolarHBondContact O-N 2.87Å; V387-F397 HydrophobicContact CG1-CD2 4.07Å; V387-F397 HydrophobicContact CG1-CE2 4.02Å; V387-F410 HydrophobicContact CG2-CD2 4.17Å |
| 388 | H | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 27% | 0.273 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63 | -41.5 | -178.3 | -74.7 | -47.5 | 0 | 0 | 0 | 111.9 | E161 E166 T384 F390 S391 E392 | E161-H388 IonicContact OE1-ND1 3.06Å; E166-H388 IonicContact OE1-CD2 3.88Å; E166-H388 IonicContact OE1-CE1 2.79Å; E166-H388 IonicContact OE1-NE2 2.75Å; E166-H388 PolarHBondContact OE1-NE2 3Å; E166-H388 IonicContact OE2-CE1 3.61Å; E166-H388 IonicContact OE2-NE2 3.77Å; T384-H388 PolarHBondContact O-CD2 3.28Å; T384-H388 VanDerWaalsContact O-CD2 3.32Å; T384-H388 PolarHBondContact O-N 3.23Å; T384-H388 VanDerWaalsContact O-N 3.08Å; H388-F390 VanDerWaalsContact C-N 3.32Å; H388-F390 PolarHBondContact O-N 2.85Å; H388-S391 PolarHBondContact O-N 3.01Å; H388-E392 WeakPolarHBondContact O-CB 3.43Å; H388-E392 PolarHBondContact O-N 3.23Å |
| 389 | S | 97.9 | Very high | 96.7 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 176.3 | -62.8 | 0 | 0 | 0 | 0 | 112 | K385 V387 L393 L424 | K385-S389 WeakPolarHBondContact O-CB 3.45Å; K385-S389 PolarHBondContact O-N 3.44Å; K385-S389 PolarHBondContact O-OG 3.29Å; V387-S389 VanDerWaalsContact C-N 3.34Å; V387-S389 PolarHBondContact O-N 2.89Å; S389-L393 WeakPolarHBondContact O-CB 3.47Å; S389-L393 WeakPolarHBondContact O-CG 3.34Å; S389-L393 PolarHBondContact O-N 3.36Å; S389-L424 WeakPolarHBondContact OG-CD2 3.45Å |
| 390 | F | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 176.2 | 178.4 | -94.7 | 0 | 0 | 0 | 111.7 | F347 F350 F351 L354 M386 V387 H388 C394 F395 F397 F410 M427 | F347-F390 AromaticContact CE2-CZ 3.81Å; F347-F390 HydrophobicContact CE2-CZ 3.81Å; F347-F390 HydrophobicContact CZ-CE1 4.4Å; F347-F390 AromaticContact CZ-CZ 3.78Å; F347-F390 HydrophobicContact CZ-CZ 3.78Å; F350-F390 HydrophobicContact CE1-CE2 4.35Å; F351-F390 AromaticContact CD2-CE2 3.9Å; F351-F390 HydrophobicContact CD2-CE2 3.9Å; F351-F390 AromaticContact CD2-CZ 3.97Å; F351-F390 HydrophobicContact CD2-CZ 3.97Å; F351-F390 HydrophobicContact CE2-CD2 4.48Å; F351-F390 AromaticContact CE2-CE2 3.94Å; F351-F390 HydrophobicContact CE2-CE2 3.94Å; F351-F390 HydrophobicContact CE2-CZ 4.09Å; L354-F390 HydrophobicContact CD2-CD2 3.64Å; L354-F390 HydrophobicContact CD2-CE2 3.56Å; M386-F390 WeakPolarHBondContact O-CB 3.4Å; M386-F390 PolarHBondContact O-N 3.33Å; V387-F390 PolarHBondContact O-N 3.17Å; V387-F390 VanDerWaalsContact O-N 3.17Å; H388-F390 VanDerWaalsContact C-N 3.32Å; H388-F390 PolarHBondContact O-N 2.85Å; F390-C394 HydrophobicContact CD2-CB 3.51Å; F390-C394 VanDerWaalsContact CD2-SG 3.55Å; F390-C394 HydrophobicContact CE2-CB 3.51Å; F390-C394 HydrophobicContact CG-CB 4.1Å; F390-C394 HydrophobicContact CZ-CB 4.09Å; F390-C394 CarbonylContact O-C 3.56Å; F390-C394 VanDerWaalsContact O-CA 3.26Å; F390-C394 WeakPolarHBondContact O-CA 3.44Å; F390-C394 WeakPolarHBondContact O-CB 3.44Å; F390-C394 PolarHBondContact O-N 2.9Å; F390-F395 WeakPolarHBondContact CD1-O 3.48Å; F390-F395 HydrophobicContact CE1-CB 3.86Å; F390-F395 VanDerWaalsContact CE1-O 3.26Å; F390-F395 WeakPolarHBondContact CE1-O 3.46Å; F390-F395 HydrophobicContact CZ-CB 3.94Å; F390-F395 HydrophobicContact CZ-CD2 4.16Å; F390-F395 HydrophobicContact CZ-CG 4.5Å; F390-F395 PolarHBondContact O-N 3.46Å; F390-F395 VanDerWaalsContact O-N 3.09Å; F390-F397 HydrophobicContact CD1-CD1 4.47Å; F390-F397 HydrophobicContact CD1-CD2 4.25Å; F390-F397 AromaticContact CD1-CE1 3.85Å; F390-F397 HydrophobicContact CD1-CE1 3.85Å; F390-F397 AromaticContact CD1-CE2 3.6Å; F390-F397 HydrophobicContact CD1-CE2 3.6Å; F390-F397 AromaticContact CD1-CZ 3.38Å; F390-F397 HydrophobicContact CD1-CZ 3.38Å; F390-F397 HydrophobicContact CE1-CD1 4.28Å; F390-F397 AromaticContact CE1-CE1 3.64Å; F390-F397 HydrophobicContact CE1-CE1 3.64Å; F390-F397 HydrophobicContact CE1-CE2 4.26Å; F390-F397 AromaticContact CE1-CZ 3.64Å; F390-F397 HydrophobicContact CE1-CZ 3.64Å; F390-F397 HydrophobicContact CG-CE2 4.46Å; F390-F397 HydrophobicContact CG-CZ 4.33Å; F390-F410 HydrophobicContact CB-CE2 3.74Å; F390-F410 HydrophobicContact CB-CZ 3.72Å; F390-F410 HydrophobicContact CD1-CE2 4.22Å; F390-F410 HydrophobicContact CD1-CZ 4.37Å; F390-F410 HydrophobicContact CD2-CE2 4.27Å; F390-F410 AromaticContact CD2-CZ 3.63Å; F390-F410 HydrophobicContact CD2-CZ 3.63Å; F390-F410 HydrophobicContact CE2-CZ 4.32Å; F390-F410 AromaticContact CG-CE2 3.81Å; F390-F410 HydrophobicContact CG-CE2 3.81Å; F390-F410 AromaticContact CG-CZ 3.64Å; F390-F410 HydrophobicContact CG-CZ 3.64Å; F390-M427 HydrophobicContact CB-CE 4.19Å; F390-M427 HydrophobicContact CB-SD 3.93Å; F390-M427 PolarHBondContact N-SD 3.48Å |
| 391 | S | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.063 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 178.3 | -85.7 | 0 | 0 | 0 | 0 | 113.4 | E161 V387 H388 N396 F397 | E161-S391 WeakPolarHBondContact OE1-CB 3.5Å; E161-S391 PolarHBondContact OE1-OG 2.74Å; E161-S391 PolarHBondContact OE2-OG 2.84Å; V387-S391 PolarHBondContact O-N 2.87Å; H388-S391 PolarHBondContact O-N 3.01Å; S391-N396 VanDerWaalsContact O-CA 3.25Å; S391-N396 WeakPolarHBondContact O-CA 3.46Å; S391-N396 WeakPolarHBondContact O-CB 3.39Å; S391-N396 PolarHBondContact O-N 3.38Å; S391-F397 WeakPolarHBondContact OG-CD2 3.3Å; S391-F397 PolarHBondContact OG-N 2.96Å |
| 392 | E | 96 | Very high | 96.4 | Very high | 157 Ų | 157 | 28.7 Ų | 28.7 | 73% | 0.734 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -72.6 | -47.6 | 179 | -171.3 | -172.1 | 156.6 | 0 | 0 | 111.8 | H388 | H388-E392 WeakPolarHBondContact O-CB 3.43Å; H388-E392 PolarHBondContact O-N 3.23Å |
| 393 | L | 95.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 28.2 Ų | 28.2 | 17% | 0.173 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -91.6 | -33.4 | -169 | -56.2 | 174.6 | 0 | 0 | 0 | 112.8 | S389 R428 C431 K435 | S389-L393 WeakPolarHBondContact O-CB 3.47Å; S389-L393 WeakPolarHBondContact O-CG 3.34Å; S389-L393 PolarHBondContact O-N 3.36Å; L393-R428 HydrophobicContact CD1-CB 4.04Å; L393-R428 HydrophobicContact CD1-CG 4.3Å; L393-C431 HydrophobicContact CB-CB 4.06Å; L393-C431 WeakPolarHBondContact O-CB 3.43Å; L393-K435 PolarHBondContact O-NZ 2.83Å |
| 394 | C | 96.2 | Very high | 96.2 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 10% | 0.095 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -87 | -167.6 | -41.3 | 0 | 0 | 0 | 0 | 111.1 | F350 F390 C431 K435 | F350-C394 HydrophobicContact CE1-CB 4.3Å; F350-C394 HydrophobicContact CZ-CB 4.39Å; F390-C394 HydrophobicContact CD2-CB 3.51Å; F390-C394 VanDerWaalsContact CD2-SG 3.55Å; F390-C394 HydrophobicContact CE2-CB 3.51Å; F390-C394 HydrophobicContact CG-CB 4.1Å; F390-C394 HydrophobicContact CZ-CB 4.09Å; F390-C394 CarbonylContact O-C 3.56Å; F390-C394 VanDerWaalsContact O-CA 3.26Å; F390-C394 WeakPolarHBondContact O-CA 3.44Å; F390-C394 WeakPolarHBondContact O-CB 3.44Å; F390-C394 PolarHBondContact O-N 2.9Å; C394-C431 HydrophobicContact CB-CB 3.88Å; C394-C431 WeakPolarHBondContact CB-SG 3.24Å; C394-C431 WeakPolarHBondContact SG-CB 3.06Å; C394-C431 CovalentContact SG-SG 2.01Å; C394-C431 PolarHBondContact SG-SG 3.14Å; C394-K435 WeakPolarHBondContact O-CE 3.39Å; C394-K435 PolarHBondContact O-NZ 3.34Å |
| 395 | F | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | trans | -136.1 | 108.2 | -176.9 | -71.3 | -98.1 | 0 | 0 | 0 | 108.5 | Y346 F347 F350 F390 F397 K435 Y437 I440 | Y346-F395 HydrophobicContact CE1-CZ 4.18Å; F347-F395 HydrophobicContact CD2-CD1 4.18Å; F347-F395 AromaticContact CD2-CD2 3.97Å; F347-F395 HydrophobicContact CD2-CD2 3.97Å; F347-F395 HydrophobicContact CD2-CE1 4.15Å; F347-F395 AromaticContact CD2-CE2 3.96Å; F347-F395 HydrophobicContact CD2-CE2 3.96Å; F347-F395 HydrophobicContact CD2-CG 4.09Å; F347-F395 HydrophobicContact CD2-CZ 4.05Å; F347-F395 HydrophobicContact CE2-CB 4.1Å; F347-F395 HydrophobicContact CE2-CD1 4.23Å; F347-F395 AromaticContact CE2-CD2 3.63Å; F347-F395 HydrophobicContact CE2-CD2 3.63Å; F347-F395 HydrophobicContact CE2-CE2 4.06Å; F347-F395 AromaticContact CE2-CG 3.73Å; F347-F395 HydrophobicContact CE2-CG 3.73Å; F350-F395 HydrophobicContact CD1-CD2 4.14Å; F350-F395 AromaticContact CD1-CE2 3.56Å; F350-F395 HydrophobicContact CD1-CE2 3.56Å; F350-F395 HydrophobicContact CD2-CE2 4.43Å; F350-F395 AromaticContact CE1-CD2 3.86Å; F350-F395 HydrophobicContact CE1-CD2 3.86Å; F350-F395 AromaticContact CE1-CE2 3.55Å; F350-F395 HydrophobicContact CE1-CE2 3.55Å; F350-F395 HydrophobicContact CE2-CE2 4.4Å; F350-F395 HydrophobicContact CG-CE2 4.04Å; F350-F395 HydrophobicContact CZ-CD2 4.47Å; F350-F395 AromaticContact CZ-CE2 3.98Å; F350-F395 HydrophobicContact CZ-CE2 3.98Å; F390-F395 WeakPolarHBondContact CD1-O 3.48Å; F390-F395 HydrophobicContact CE1-CB 3.86Å; F390-F395 VanDerWaalsContact CE1-O 3.26Å; F390-F395 WeakPolarHBondContact CE1-O 3.46Å; F390-F395 HydrophobicContact CZ-CB 3.94Å; F390-F395 HydrophobicContact CZ-CD2 4.16Å; F390-F395 HydrophobicContact CZ-CG 4.5Å; F390-F395 PolarHBondContact O-N 3.46Å; F390-F395 VanDerWaalsContact O-N 3.09Å; F395-F397 PolarHBondContact O-N 3.3Å; F395-K435 HydrophobicContact CD2-CD 4.47Å; F395-K435 HydrophobicContact CE2-CD 3.85Å; F395-K435 HydrophobicContact CZ-CD 3.96Å; F395-Y437 VanDerWaalsContact CE1-O 3.24Å; F395-Y437 WeakPolarHBondContact CE1-O 3.36Å; F395-Y437 WeakPolarHBondContact CZ-O 3.08Å; F395-I440 HydrophobicContact CD1-CD1 4.44Å; F395-I440 HydrophobicContact CD1-CG2 4.37Å; F395-I440 HydrophobicContact CE1-CG2 3.87Å | ||
| 396 | N | 95.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 28.6 Ų | 28.6 | 20% | 0.198 | 14% | 0.138 | C | C | . | . | trans | -56.9 | 120.8 | 176 | 177.5 | -84.4 | 0 | 0 | 0 | 110.7 | T159 S391 G398 K399 N400 | T159-N396 PolarHBondContact O-ND2 3.12Å; T159-N396 PolarHBondContact O-OD1 3.35Å; S391-N396 VanDerWaalsContact O-CA 3.25Å; S391-N396 WeakPolarHBondContact O-CA 3.46Å; S391-N396 WeakPolarHBondContact O-CB 3.39Å; S391-N396 PolarHBondContact O-N 3.38Å; N396-G398 PolarHBondContact OD1-N 2.96Å; N396-K399 HydrophobicContact CB-CB 4.4Å; N396-K399 HydrophobicContact CB-CD 4.47Å; N396-K399 PolarHBondContact O-N 3.18Å; N396-K399 WeakPolarHBondContact OD1-CG 3.3Å; N396-K399 PolarHBondContact OD1-N 2.84Å; N396-N400 WeakPolarHBondContact O-CB 3.26Å; N396-N400 PolarHBondContact O-N 2.73Å; N396-N400 VanDerWaalsContact O-N 3.08Å; N396-N400 PolarHBondContact O-ND2 3.45Å | ||
| 397 | F | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -42.1 | -174.3 | -77.8 | -55.7 | 0 | 0 | 0 | 112.8 | I154 E161 V387 F390 S391 F395 K399 N400 A403 M404 A407 F410 | I154-F397 HydrophobicContact CD1-CD2 4.27Å; I154-F397 HydrophobicContact CD1-CE2 4.06Å; E161-F397 HydrophobicContact CG-CD2 4.39Å; V387-F397 HydrophobicContact CG1-CD2 4.07Å; V387-F397 HydrophobicContact CG1-CE2 4.02Å; F390-F397 HydrophobicContact CD1-CD1 4.47Å; F390-F397 HydrophobicContact CD1-CD2 4.25Å; F390-F397 AromaticContact CD1-CE1 3.85Å; F390-F397 HydrophobicContact CD1-CE1 3.85Å; F390-F397 AromaticContact CD1-CE2 3.6Å; F390-F397 HydrophobicContact CD1-CE2 3.6Å; F390-F397 AromaticContact CD1-CZ 3.38Å; F390-F397 HydrophobicContact CD1-CZ 3.38Å; F390-F397 HydrophobicContact CE1-CD1 4.28Å; F390-F397 AromaticContact CE1-CE1 3.64Å; F390-F397 HydrophobicContact CE1-CE1 3.64Å; F390-F397 HydrophobicContact CE1-CE2 4.26Å; F390-F397 AromaticContact CE1-CZ 3.64Å; F390-F397 HydrophobicContact CE1-CZ 3.64Å; F390-F397 HydrophobicContact CG-CE2 4.46Å; F390-F397 HydrophobicContact CG-CZ 4.33Å; S391-F397 WeakPolarHBondContact OG-CD2 3.3Å; S391-F397 PolarHBondContact OG-N 2.96Å; F395-F397 PolarHBondContact O-N 3.3Å; F397-K399 PolarHBondContact O-N 3.21Å; F397-N400 CarbonylContact O-C 3.56Å; F397-N400 PolarHBondContact O-N 2.99Å; F397-A403 HydrophobicContact CD1-CB 3.76Å; F397-A403 HydrophobicContact CE1-CB 3.79Å; F397-M404 HydrophobicContact CB-CE 3.53Å; F397-M404 HydrophobicContact CB-CG 3.96Å; F397-M404 HydrophobicContact CD1-CB 4.32Å; F397-M404 HydrophobicContact CD1-CG 3.54Å; F397-M404 HydrophobicContact CE1-CG 4.24Å; F397-M404 HydrophobicContact CG-CE 4.32Å; F397-M404 HydrophobicContact CG-CG 3.95Å; F397-A407 HydrophobicContact CZ-CB 4.12Å; F397-F410 HydrophobicContact CE2-CE2 4.23Å; F397-F410 AromaticContact CZ-CE2 3.92Å; F397-F410 HydrophobicContact CZ-CE2 3.92Å |
| 398 | G | 92.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F157 N396 | F157-G398 WeakPolarHBondContact O-CA 3.41Å; N396-G398 PolarHBondContact OD1-N 2.96Å |
| 399 | K | 93.8 | Very high | 95.6 | Very high | 123 Ų | 123 | 27 Ų | 27 | 54% | 0.535 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -12.7 | 175.6 | -67.6 | 177.1 | -176.6 | 175.1 | 0 | 114.4 | N396 F397 | N396-K399 HydrophobicContact CB-CB 4.4Å; N396-K399 HydrophobicContact CB-CD 4.47Å; N396-K399 PolarHBondContact O-N 3.18Å; N396-K399 WeakPolarHBondContact OD1-CG 3.3Å; N396-K399 PolarHBondContact OD1-N 2.84Å; F397-K399 PolarHBondContact O-N 3.21Å |
| 400 | N | 94.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | trans | -136.1 | 68.5 | -176.4 | -63.9 | -85.4 | 0 | 0 | 0 | 110.8 | N396 F397 Y402 A403 R438 N439 I440 | N396-N400 WeakPolarHBondContact O-CB 3.26Å; N396-N400 PolarHBondContact O-N 2.73Å; N396-N400 VanDerWaalsContact O-N 3.08Å; N396-N400 PolarHBondContact O-ND2 3.45Å; F397-N400 CarbonylContact O-C 3.56Å; F397-N400 PolarHBondContact O-N 2.99Å; N400-Y402 PolarHBondContact O-N 3.42Å; N400-Y402 VanDerWaalsContact O-N 3.1Å; N400-A403 HydrophobicContact CB-CB 4.15Å; N400-A403 VanDerWaalsContact O-CB 3.23Å; N400-A403 WeakPolarHBondContact O-CB 3.16Å; N400-A403 PolarHBondContact O-N 3.34Å; N400-R438 PolarHBondContact ND2-O 3.07Å; N400-R438 PolarHBondContact OD1-O 3.07Å; N400-N439 VanDerWaalsContact OD1-CA 3.22Å; N400-N439 WeakPolarHBondContact OD1-CA 3.22Å; N400-I440 HydrophobicContact CB-CD1 4.33Å; N400-I440 HydrophobicContact CB-CG1 3.81Å; N400-I440 WeakPolarHBondContact OD1-CG1 3.22Å; N400-I440 PolarHBondContact OD1-N 2.95Å | ||
| 401 | P | 93.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -55.5 | -32.3 | -176.3 | -27.3 | 36.1 | 0 | 0 | 0 | 114 | H149 A403 M404 | H149-P401 HydrophobicContact CB-CB 4.21Å; P401-A403 PolarHBondContact O-N 2.7Å; P401-M404 VanDerWaalsContact O-CB 3.26Å; P401-M404 WeakPolarHBondContact O-CB 3.34Å; P401-M404 PolarHBondContact O-N 3.35Å; P401-M404 VanDerWaalsContact O-N 3.09Å |
| 402 | Y | 94.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 26 Ų | 26 | 10% | 0.102 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -59.6 | -31.2 | 174.3 | -178.2 | -98.9 | 0 | 0 | 0 | 113.9 | R344 N400 M404 K405 Y406 I440 L441 | R344-Y402 HydrophobicContact CB-CD1 4.14Å; R344-Y402 HydrophobicContact CB-CE1 3.53Å; R344-Y402 HydrophobicContact CB-CE2 4.48Å; R344-Y402 HydrophobicContact CG-CD1 3.64Å; R344-Y402 HydrophobicContact CG-CD2 4.17Å; R344-Y402 HydrophobicContact CG-CE1 3.51Å; R344-Y402 HydrophobicContact CG-CE2 4.05Å; R344-Y402 HydrophobicContact CG-CG 3.96Å; N400-Y402 PolarHBondContact O-N 3.42Å; N400-Y402 VanDerWaalsContact O-N 3.1Å; Y402-M404 PolarHBondContact O-N 3.49Å; Y402-K405 HydrophobicContact CE2-CD 4.42Å; Y402-K405 WeakPolarHBondContact O-CB 3.31Å; Y402-K405 PolarHBondContact O-N 3.2Å; Y402-Y406 HydrophobicContact CE1-CE2 4.14Å; Y402-I440 HydrophobicContact CD1-CD1 4.19Å; Y402-L441 VanDerWaalsContact CB-C 3.46Å; Y402-L441 WeakPolarHBondContact CB-OXT 3.49Å; Y402-L441 PolarHBondContact N-OXT 3.35Å |
| 403 | A | 96.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -59.8 | -33.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F347 F397 N400 P401 K405 Y406 I440 | F347-A403 HydrophobicContact CE1-CB 3.9Å; F347-A403 HydrophobicContact CE2-CB 3.88Å; F347-A403 HydrophobicContact CZ-CB 3.39Å; F397-A403 HydrophobicContact CD1-CB 3.76Å; F397-A403 HydrophobicContact CE1-CB 3.79Å; N400-A403 HydrophobicContact CB-CB 4.15Å; N400-A403 VanDerWaalsContact O-CB 3.23Å; N400-A403 WeakPolarHBondContact O-CB 3.16Å; N400-A403 PolarHBondContact O-N 3.34Å; P401-A403 PolarHBondContact O-N 2.7Å; A403-K405 PolarHBondContact O-N 3.34Å; A403-Y406 PolarHBondContact O-N 3.45Å; A403-Y406 VanDerWaalsContact O-N 3.07Å; A403-I440 HydrophobicContact CB-CD1 3.84Å |
| 404 | M | 95.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -58.5 | -23.4 | -179.1 | -71.3 | -170.9 | 166.4 | 0 | 0 | 112.9 | H149 A151 I154 S156 E161 F397 P401 Y402 Y406 A407 | H149-M404 HydrophobicContact CB-SD 4.4Å; A151-M404 HydrophobicContact CB-CB 3.7Å; A151-M404 HydrophobicContact CB-CG 4.2Å; A151-M404 WeakPolarHBondContact CB-O 3.47Å; A151-M404 HydrophobicContact CB-SD 4.37Å; I154-M404 HydrophobicContact CG2-CE 3.78Å; S156-M404 VanDerWaalsContact CB-CE 3.44Å; E161-M404 HydrophobicContact CB-CE 4.25Å; F397-M404 HydrophobicContact CB-CE 3.53Å; F397-M404 HydrophobicContact CB-CG 3.96Å; F397-M404 HydrophobicContact CD1-CB 4.32Å; F397-M404 HydrophobicContact CD1-CG 3.54Å; F397-M404 HydrophobicContact CE1-CG 4.24Å; F397-M404 HydrophobicContact CG-CE 4.32Å; F397-M404 HydrophobicContact CG-CG 3.95Å; P401-M404 VanDerWaalsContact O-CB 3.26Å; P401-M404 WeakPolarHBondContact O-CB 3.34Å; P401-M404 PolarHBondContact O-N 3.35Å; P401-M404 VanDerWaalsContact O-N 3.09Å; Y402-M404 PolarHBondContact O-N 3.49Å; M404-Y406 PolarHBondContact O-N 2.91Å; M404-A407 WeakPolarHBondContact O-CB 3.44Å; M404-A407 PolarHBondContact O-N 2.84Å |
| 405 | K | 94.1 | Very high | 95.3 | Very high | 85 Ų | 85 | 18 Ų | 18 | 37% | 0.37 | 8% | 0.083 | S | C | . | . | G | 310 helix | trans | -51.8 | -26.7 | 173.7 | -177.6 | 177.7 | 175.3 | 178.9 | 0 | 113.7 | R372 Y402 A403 Y408 | R372-K405 PolarHBondContact NH2-O 3.35Å; Y402-K405 HydrophobicContact CE2-CD 4.42Å; Y402-K405 WeakPolarHBondContact O-CB 3.31Å; Y402-K405 PolarHBondContact O-N 3.2Å; A403-K405 PolarHBondContact O-N 3.34Å; K405-Y408 VanDerWaalsContact O-CD1 3.26Å; K405-Y408 WeakPolarHBondContact O-CD1 3.4Å; K405-Y408 VanDerWaalsContact O-CE1 3.3Å; K405-Y408 WeakPolarHBondContact O-CE1 3.23Å |
| 406 | Y | 96 | Very high | 95.3 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -100.9 | -4.5 | -176.2 | -61.8 | -95.5 | 0 | 0 | 0 | 113.7 | F347 H348 F351 Y402 A403 M404 Y408 V409 | F347-Y406 AromaticContact CD1-CD2 3.95Å; F347-Y406 HydrophobicContact CD1-CD2 3.95Å; F347-Y406 AromaticContact CD1-CE2 3.75Å; F347-Y406 HydrophobicContact CD1-CE2 3.75Å; F347-Y406 AromaticContact CE1-CD2 3.43Å; F347-Y406 HydrophobicContact CE1-CD2 3.43Å; F347-Y406 VanDerWaalsContact CE1-CD2 3.43Å; F347-Y406 AromaticContact CE1-CE2 3.75Å; F347-Y406 HydrophobicContact CE1-CE2 3.75Å; F347-Y406 HydrophobicContact CE1-CG 4.09Å; H348-Y406 WeakPolarHBondContact CB-OH 3.45Å; H348-Y406 AromaticContact ND1-CE1 3.47Å; H348-Y406 WeakPolarHBondContact ND1-CE1 3.47Å; H348-Y406 AromaticContact ND1-CZ 3.59Å; H348-Y406 PolarHBondContact ND1-OH 3.48Å; F351-Y406 AromaticContact CD1-CD1 3.84Å; F351-Y406 HydrophobicContact CD1-CD1 3.84Å; F351-Y406 HydrophobicContact CD1-CG 4.06Å; F351-Y406 HydrophobicContact CE1-CD1 4.33Å; F351-Y406 HydrophobicContact CE1-CG 4.36Å; F351-Y406 HydrophobicContact CG-CD1 4.27Å; F351-Y406 HydrophobicContact CG-CG 4.2Å; F351-Y406 WeakPolarHBondContact CZ-O 3.27Å; Y402-Y406 HydrophobicContact CE1-CE2 4.14Å; A403-Y406 PolarHBondContact O-N 3.45Å; A403-Y406 VanDerWaalsContact O-N 3.07Å; M404-Y406 PolarHBondContact O-N 2.91Å; Y406-Y408 PolarHBondContact O-N 3.18Å; Y406-Y408 VanDerWaalsContact O-N 3.16Å; Y406-V409 WeakPolarHBondContact O-CB 3.45Å; Y406-V409 WeakPolarHBondContact O-CG2 3.38Å; Y406-V409 PolarHBondContact O-N 2.79Å |
| 407 | A | 95.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A151 I154 F397 M404 V409 F410 | A151-A407 HydrophobicContact CB-CB 3.67Å; I154-A407 HydrophobicContact CD1-CB 3.61Å; F397-A407 HydrophobicContact CZ-CB 4.12Å; M404-A407 WeakPolarHBondContact O-CB 3.44Å; M404-A407 PolarHBondContact O-N 2.84Å; A407-V409 PolarHBondContact O-N 3.36Å; A407-V409 VanDerWaalsContact O-N 3.14Å; A407-F410 WeakPolarHBondContact O-CB 2.93Å; A407-F410 PolarHBondContact O-N 3.21Å |
| 408 | Y | 96 | Very high | 95.2 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.3 | -25.4 | 173.2 | 76.5 | -85.4 | 0 | 0 | 0 | 112.8 | F370 R372 K405 Y406 F410 V411 N412 | F370-Y408 PolarHBondContact O-OH 2.85Å; R372-Y408 HydrophobicContact CG-CD1 4.31Å; R372-Y408 HydrophobicContact CG-CD2 3.9Å; R372-Y408 HydrophobicContact CG-CE1 4.15Å; R372-Y408 HydrophobicContact CG-CE2 3.7Å; R372-Y408 HydrophobicContact CG-CG 4.19Å; K405-Y408 VanDerWaalsContact O-CD1 3.26Å; K405-Y408 WeakPolarHBondContact O-CD1 3.4Å; K405-Y408 VanDerWaalsContact O-CE1 3.3Å; K405-Y408 WeakPolarHBondContact O-CE1 3.23Å; Y406-Y408 PolarHBondContact O-N 3.18Å; Y406-Y408 VanDerWaalsContact O-N 3.16Å; Y408-F410 PolarHBondContact O-N 2.91Å; Y408-V411 VanDerWaalsContact O-CB 3.3Å; Y408-V411 WeakPolarHBondContact O-CB 3.41Å; Y408-V411 PolarHBondContact O-N 3.27Å; Y408-V411 VanDerWaalsContact O-N 3.12Å; Y408-N412 PolarHBondContact O-N 3.03Å |
| 409 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -31.5 | 176.8 | -177.6 | 0 | 0 | 0 | 0 | 111 | F351 V355 L369 F370 Y406 A407 V411 N412 I413 | F351-V409 HydrophobicContact CE1-CB 3.84Å; F351-V409 HydrophobicContact CE1-CG1 4.15Å; F351-V409 HydrophobicContact CE1-CG2 3.95Å; F351-V409 HydrophobicContact CZ-CB 4.21Å; V355-V409 HydrophobicContact CG1-CG1 4.02Å; V355-V409 HydrophobicContact CG2-CG1 3.65Å; L369-V409 HydrophobicContact CB-CG1 4.08Å; L369-V409 WeakPolarHBondContact O-CG2 3.25Å; F370-V409 HydrophobicContact CD1-CG2 3.9Å; F370-V409 HydrophobicContact CE1-CG2 4.03Å; Y406-V409 WeakPolarHBondContact O-CB 3.45Å; Y406-V409 WeakPolarHBondContact O-CG2 3.38Å; Y406-V409 PolarHBondContact O-N 2.79Å; A407-V409 PolarHBondContact O-N 3.36Å; A407-V409 VanDerWaalsContact O-N 3.14Å; V409-V411 VanDerWaalsContact C-N 3.33Å; V409-N412 PolarHBondContact O-N 3.06Å; V409-I413 HydrophobicContact CG1-CD1 4.03Å; V409-I413 HydrophobicContact CG1-CG1 4.44Å; V409-I413 WeakPolarHBondContact O-CB 3.38Å; V409-I413 VanDerWaalsContact O-CG1 3.23Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 3.47Å |
| 410 | F | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -33.9 | 173.8 | -60.9 | -35.8 | 0 | 0 | 0 | 112.3 | F351 M358 M386 V387 F390 F397 A407 Y408 I413 C414 M427 | F351-F410 HydrophobicContact CE2-CE1 4.07Å; F351-F410 HydrophobicContact CE2-CE2 4.29Å; F351-F410 AromaticContact CE2-CZ 3.64Å; F351-F410 HydrophobicContact CE2-CZ 3.64Å; F351-F410 HydrophobicContact CZ-CD1 4.45Å; F351-F410 AromaticContact CZ-CE1 3.83Å; F351-F410 HydrophobicContact CZ-CE1 3.83Å; F351-F410 HydrophobicContact CZ-CE2 4.43Å; F351-F410 AromaticContact CZ-CZ 3.82Å; F351-F410 HydrophobicContact CZ-CZ 3.82Å; M358-F410 HydrophobicContact CE-CD1 4.38Å; M358-F410 HydrophobicContact CE-CE1 3.94Å; M386-F410 HydrophobicContact CB-CB 4.22Å; M386-F410 HydrophobicContact CB-CG 4.23Å; M386-F410 HydrophobicContact CE-CD1 3.76Å; M386-F410 HydrophobicContact CE-CE1 4.17Å; V387-F410 HydrophobicContact CG2-CD2 4.17Å; F390-F410 HydrophobicContact CB-CE2 3.74Å; F390-F410 HydrophobicContact CB-CZ 3.72Å; F390-F410 HydrophobicContact CD1-CE2 4.22Å; F390-F410 HydrophobicContact CD1-CZ 4.37Å; F390-F410 HydrophobicContact CD2-CE2 4.27Å; F390-F410 AromaticContact CD2-CZ 3.63Å; F390-F410 HydrophobicContact CD2-CZ 3.63Å; F390-F410 HydrophobicContact CE2-CZ 4.32Å; F390-F410 AromaticContact CG-CE2 3.81Å; F390-F410 HydrophobicContact CG-CE2 3.81Å; F390-F410 AromaticContact CG-CZ 3.64Å; F390-F410 HydrophobicContact CG-CZ 3.64Å; F397-F410 HydrophobicContact CE2-CE2 4.23Å; F397-F410 AromaticContact CZ-CE2 3.92Å; F397-F410 HydrophobicContact CZ-CE2 3.92Å; A407-F410 WeakPolarHBondContact O-CB 2.93Å; A407-F410 PolarHBondContact O-N 3.21Å; Y408-F410 PolarHBondContact O-N 2.91Å; F410-I413 HydrophobicContact CD1-CD1 4.37Å; F410-C414 WeakPolarHBondContact O-CB 3.43Å; F410-C414 PolarHBondContact O-N 3.1Å; F410-C414 PolarHBondContact O-SG 3.4Å; F410-C414 VanDerWaalsContact O-SG 3.32Å; F410-M427 HydrophobicContact CE1-CE 4.04Å; F410-M427 HydrophobicContact CZ-CE 4.2Å |
| 411 | V | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -53.5 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | H152 M377 H383 Y408 V409 I413 C414 E415 | H152-V411 HydrophobicContact CB-CG2 4.32Å; M377-V411 HydrophobicContact CE-CG1 4.47Å; M377-V411 HydrophobicContact CE-CG2 3.92Å; M377-V411 HydrophobicContact CG-CG1 3.78Å; M377-V411 HydrophobicContact SD-CG1 4.42Å; M377-V411 HydrophobicContact SD-CG2 4.2Å; H383-V411 VanDerWaalsContact CD2-CG2 3.46Å; H383-V411 WeakPolarHBondContact CD2-CG2 3.18Å; Y408-V411 VanDerWaalsContact O-CB 3.3Å; Y408-V411 WeakPolarHBondContact O-CB 3.41Å; Y408-V411 PolarHBondContact O-N 3.27Å; Y408-V411 VanDerWaalsContact O-N 3.12Å; V409-V411 VanDerWaalsContact C-N 3.33Å; V411-I413 VanDerWaalsContact C-N 3.27Å; V411-I413 PolarHBondContact O-N 3.03Å; V411-C414 PolarHBondContact O-N 2.87Å; V411-C414 VanDerWaalsContact O-N 3.08Å; V411-E415 HydrophobicContact CG1-CG 4.31Å; V411-E415 WeakPolarHBondContact O-CG 3.45Å; V411-E415 PolarHBondContact O-N 3.44Å |
| 412 | N | 95.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.9 | -43.8 | 179.3 | -68.3 | -6.2 | 0 | 0 | 0 | 112 | L369 E371 I375 Y408 V409 Q416 | L369-N412 HydrophobicContact CD2-CB 3.92Å; L369-N412 PolarHBondContact O-ND2 3.47Å; E371-N412 PolarHBondContact O-ND2 2.82Å; I375-N412 VanDerWaalsContact CD1-OD1 3.3Å; I375-N412 WeakPolarHBondContact CD1-OD1 3.29Å; Y408-N412 PolarHBondContact O-N 3.03Å; V409-N412 PolarHBondContact O-N 3.06Å; N412-Q416 WeakPolarHBondContact O-CG 3.31Å; N412-Q416 PolarHBondContact O-N 3.1Å |
| 413 | I | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 176.3 | -74.7 | 167 | 0 | 0 | 0 | 111.6 | V355 M358 V359 L369 M386 V409 F410 V411 E415 Q416 M423 | V355-I413 HydrophobicContact CG1-CD1 4.33Å; M358-I413 HydrophobicContact CE-CD1 3.52Å; V359-I413 HydrophobicContact CG1-CG1 4.27Å; L369-I413 HydrophobicContact CD1-CD1 4.45Å; L369-I413 HydrophobicContact CD1-CG1 3.74Å; L369-I413 HydrophobicContact CD2-CG1 4.07Å; L369-I413 HydrophobicContact CG-CG1 4.41Å; M386-I413 HydrophobicContact CE-CD1 4.45Å; M386-I413 HydrophobicContact CE-CG2 4.21Å; V409-I413 HydrophobicContact CG1-CD1 4.03Å; V409-I413 HydrophobicContact CG1-CG1 4.44Å; V409-I413 WeakPolarHBondContact O-CB 3.38Å; V409-I413 VanDerWaalsContact O-CG1 3.23Å; V409-I413 WeakPolarHBondContact O-CG1 3.47Å; V409-I413 PolarHBondContact O-N 3.47Å; F410-I413 HydrophobicContact CD1-CD1 4.37Å; V411-I413 VanDerWaalsContact C-N 3.27Å; V411-I413 PolarHBondContact O-N 3.03Å; I413-E415 VanDerWaalsContact C-N 3.32Å; I413-E415 PolarHBondContact O-N 3.09Å; I413-Q416 WeakPolarHBondContact O-CB 3.44Å; I413-Q416 PolarHBondContact O-N 3.03Å; I413-Q416 VanDerWaalsContact O-N 3.14Å; I413-M423 HydrophobicContact CG2-CE 3.64Å; I413-M423 HydrophobicContact CG2-SD 3.15Å; I413-M423 WeakPolarHBondContact CG2-SD 3.36Å |
| 414 | C | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | -177.3 | -76.7 | 0 | 0 | 0 | 0 | 112 | Q379 C382 H383 F410 V411 Q416 Q417 | Q379-C414 HydrophobicContact CB-CB 3.91Å; Q379-C414 WeakPolarHBondContact CG-O 3.29Å; C382-C414 HydrophobicContact CB-CB 3.69Å; C382-C414 WeakPolarHBondContact CB-SG 3.42Å; C382-C414 WeakPolarHBondContact SG-CA 3.37Å; C382-C414 WeakPolarHBondContact SG-CB 3.23Å; C382-C414 CovalentContact SG-SG 2.05Å; C382-C414 PolarHBondContact SG-SG 2.8Å; H383-C414 PolarHBondContact N-SG 2.82Å; F410-C414 WeakPolarHBondContact O-CB 3.43Å; F410-C414 PolarHBondContact O-N 3.1Å; F410-C414 PolarHBondContact O-SG 3.4Å; F410-C414 VanDerWaalsContact O-SG 3.32Å; V411-C414 PolarHBondContact O-N 2.87Å; V411-C414 VanDerWaalsContact O-N 3.08Å; C414-Q416 PolarHBondContact O-N 3.5Å; C414-Q417 WeakPolarHBondContact O-CA 3.36Å; C414-Q417 PolarHBondContact O-N 3.48Å |
| 415 | E | 95.2 | Very high | 96 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.164 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.7 | -12 | 177.4 | -60.9 | -60.2 | 145.2 | 0 | 0 | 113.2 | I375 T378 Q379 V411 I413 Q417 | I375-E415 HydrophobicContact CG2-CB 4.48Å; I375-E415 HydrophobicContact CG2-CG 3.9Å; T378-E415 PolarHBondContact N-OE1 2.94Å; T378-E415 PolarHBondContact OG1-OE2 2.74Å; Q379-E415 PolarHBondContact N-OE1 3.24Å; V411-E415 HydrophobicContact CG1-CG 4.31Å; V411-E415 WeakPolarHBondContact O-CG 3.45Å; V411-E415 PolarHBondContact O-N 3.44Å; I413-E415 VanDerWaalsContact C-N 3.32Å; I413-E415 PolarHBondContact O-N 3.09Å; E415-Q417 PolarHBondContact O-N 3.12Å |
| 416 | Q | 94.8 | Very high | 96.2 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 44% | 0.444 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.5 | 165.3 | -57.7 | -51.3 | -63.8 | 0 | 0 | 113.2 | V364 L369 N412 I413 C414 L418 | V364-Q416 HydrophobicContact CG1-CG 4.08Å; V364-Q416 HydrophobicContact CG2-CB 3.98Å; V364-Q416 HydrophobicContact CG2-CG 3.84Å; L369-Q416 HydrophobicContact CD2-CG 4.11Å; N412-Q416 WeakPolarHBondContact O-CG 3.31Å; N412-Q416 PolarHBondContact O-N 3.1Å; I413-Q416 WeakPolarHBondContact O-CB 3.44Å; I413-Q416 PolarHBondContact O-N 3.03Å; I413-Q416 VanDerWaalsContact O-N 3.14Å; C414-Q416 PolarHBondContact O-N 3.5Å; Q416-L418 HydrophobicContact CB-CD1 4.42Å; Q416-L418 HydrophobicContact CB-CG 3.97Å; Q416-L418 PolarHBondContact O-N 3.12Å; Q416-L418 VanDerWaalsContact O-N 3.16Å |
| 417 | Q | 94.8 | Very high | 96.3 | Very high | 147 Ų | 147 | 41.4 Ų | 41.4 | 69% | 0.687 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.9 | -179.6 | -59.7 | 178.7 | 42.6 | 0 | 0 | 113.7 | C414 E415 | C414-Q417 WeakPolarHBondContact O-CA 3.36Å; C414-Q417 PolarHBondContact O-N 3.48Å; E415-Q417 PolarHBondContact O-N 3.12Å |
| 418 | L | 94.2 | Very high | 96.4 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 23% | 0.227 | C | C | . | . | trans | -68.4 | 150.7 | 173.3 | -63.1 | 179.1 | 0 | 0 | 0 | 110.6 | V359 V364 Q416 V420 M423 | V359-L418 HydrophobicContact CB-CD1 4.38Å; V359-L418 HydrophobicContact CG1-CD1 3.86Å; V364-L418 HydrophobicContact CG2-CD1 4.13Å; V364-L418 HydrophobicContact CG2-CD2 4.14Å; V364-L418 HydrophobicContact CG2-CG 4.41Å; Q416-L418 HydrophobicContact CB-CD1 4.42Å; Q416-L418 HydrophobicContact CB-CG 3.97Å; Q416-L418 PolarHBondContact O-N 3.12Å; Q416-L418 VanDerWaalsContact O-N 3.16Å; L418-V420 PolarHBondContact O-N 3.48Å; L418-M423 HydrophobicContact CB-CE 3.78Å; L418-M423 HydrophobicContact CB-CG 4.48Å; L418-M423 HydrophobicContact CB-SD 3.59Å; L418-M423 VanDerWaalsContact CB-SD 3.59Å; L418-M423 HydrophobicContact CD1-SD 3.89Å; L418-M423 HydrophobicContact CG-SD 4.39Å; L418-M423 WeakPolarHBondContact O-CE 3.31Å | ||
| 419 | P | 96 | Very high | 96.4 | Very high | 90 Ų | 90 | 51.6 Ų | 51.6 | 58% | 0.584 | 25% | 0.251 | S | S | * | . | trans | -61.8 | 106.7 | 178.7 | -22.7 | 33.5 | 0 | 0 | 0 | 112 | E421 K422 M423 | P419-E421 VanDerWaalsContact C-N 3.33Å; P419-E421 PolarHBondContact O-N 2.84Å; P419-K422 HydrophobicContact CB-CB 4.3Å; P419-K422 WeakPolarHBondContact O-CB 3.47Å; P419-K422 PolarHBondContact O-N 3.19Å; P419-K422 VanDerWaalsContact O-N 3.15Å; P419-M423 PolarHBondContact O-N 2.97Å | ||
| 420 | V | 96.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 15% | 0.145 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.2 | -44.4 | -172.9 | 64.8 | 0 | 0 | 0 | 0 | 112.7 | C382 K385 M386 L418 K422 M423 L424 | C382-V420 HydrophobicContact CB-CG2 4.42Å; K385-V420 HydrophobicContact CB-CG2 4.24Å; K385-V420 HydrophobicContact CD-CG1 4.35Å; K385-V420 HydrophobicContact CD-CG2 4.36Å; M386-V420 HydrophobicContact CG-CG2 4.23Å; M386-V420 HydrophobicContact SD-CG2 4.39Å; L418-V420 PolarHBondContact O-N 3.48Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.13Å; V420-M423 HydrophobicContact CB-CE 4.34Å; V420-M423 WeakPolarHBondContact O-CA 3.36Å; V420-M423 WeakPolarHBondContact O-CB 3.08Å; V420-M423 PolarHBondContact O-N 2.8Å; V420-L424 HydrophobicContact CG2-CD1 4.24Å; V420-L424 HydrophobicContact CG2-CG 4.19Å; V420-L424 WeakPolarHBondContact O-CG 3.24Å; V420-L424 PolarHBondContact O-N 3.01Å |
| 421 | E | 97.3 | Very high | 96.3 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 50% | 0.5 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | -178.2 | -56.3 | -54 | 152 | 0 | 0 | 112.4 | K385 P419 M423 L424 E425 | K385-E421 IonicContact NZ-OE1 3.72Å; P419-E421 VanDerWaalsContact C-N 3.33Å; P419-E421 PolarHBondContact O-N 2.84Å; E421-M423 VanDerWaalsContact C-N 3.31Å; E421-M423 PolarHBondContact O-N 3.23Å; E421-L424 PolarHBondContact O-N 2.82Å; E421-E425 WeakPolarHBondContact O-CG 3.08Å; E421-E425 PolarHBondContact O-N 3.07Å |
| 422 | K | 96.6 | Very high | 96.2 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 175.6 | -172.9 | 179.7 | 180 | -175.5 | 0 | 111.5 | P419 V420 K426 | P419-K422 HydrophobicContact CB-CB 4.3Å; P419-K422 WeakPolarHBondContact O-CB 3.47Å; P419-K422 PolarHBondContact O-N 3.19Å; P419-K422 VanDerWaalsContact O-N 3.15Å; V420-K422 VanDerWaalsContact C-N 3.3Å; V420-K422 PolarHBondContact O-N 3.13Å; K422-K426 WeakPolarHBondContact O-CG 3.06Å; K422-K426 PolarHBondContact O-N 2.85Å |
| 423 | M | 96.8 | Very high | 96 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 176.6 | -61.7 | -171 | -70.6 | 0 | 0 | 111.5 | M386 I413 L418 P419 V420 E421 K426 M427 | M386-M423 HydrophobicContact CE-CB 4.41Å; M386-M423 HydrophobicContact SD-CB 4.08Å; I413-M423 HydrophobicContact CG2-CE 3.64Å; I413-M423 HydrophobicContact CG2-SD 3.15Å; I413-M423 WeakPolarHBondContact CG2-SD 3.36Å; L418-M423 HydrophobicContact CB-CE 3.78Å; L418-M423 HydrophobicContact CB-CG 4.48Å; L418-M423 HydrophobicContact CB-SD 3.59Å; L418-M423 VanDerWaalsContact CB-SD 3.59Å; L418-M423 HydrophobicContact CD1-SD 3.89Å; L418-M423 HydrophobicContact CG-SD 4.39Å; L418-M423 WeakPolarHBondContact O-CE 3.31Å; P419-M423 PolarHBondContact O-N 2.97Å; V420-M423 HydrophobicContact CB-CE 4.34Å; V420-M423 WeakPolarHBondContact O-CA 3.36Å; V420-M423 WeakPolarHBondContact O-CB 3.08Å; V420-M423 PolarHBondContact O-N 2.8Å; E421-M423 VanDerWaalsContact C-N 3.31Å; E421-M423 PolarHBondContact O-N 3.23Å; M423-K426 PolarHBondContact O-N 2.9Å; M423-M427 WeakPolarHBondContact O-CB 3.13Å; M423-M427 PolarHBondContact O-N 3.18Å |
| 424 | L | 97.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.9 | -63.8 | -177.2 | 0 | 0 | 0 | 112.5 | K385 M386 S389 V420 E421 K426 M427 R428 | K385-L424 HydrophobicContact CB-CD1 4.25Å; M386-L424 HydrophobicContact CG-CD2 4.41Å; M386-L424 HydrophobicContact SD-CD2 3.6Å; M386-L424 VanDerWaalsContact SD-CD2 3.6Å; M386-L424 HydrophobicContact SD-CG 4.4Å; S389-L424 WeakPolarHBondContact OG-CD2 3.45Å; V420-L424 HydrophobicContact CG2-CD1 4.24Å; V420-L424 HydrophobicContact CG2-CG 4.19Å; V420-L424 WeakPolarHBondContact O-CG 3.24Å; V420-L424 PolarHBondContact O-N 3.01Å; E421-L424 PolarHBondContact O-N 2.82Å; L424-K426 VanDerWaalsContact C-N 3.34Å; L424-K426 PolarHBondContact O-N 3.25Å; L424-M427 HydrophobicContact CD2-CE 4.47Å; L424-M427 PolarHBondContact O-N 3.18Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 PolarHBondContact O-N 3.45Å |
| 425 | E | 97.4 | Very high | 95.3 | Very high | 130 Ų | 130 | 69.8 Ų | 69.8 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.6 | -44.5 | 173.6 | -74.2 | 175.5 | 176.9 | 0 | 0 | 112.1 | E421 R428 T429 | E421-E425 WeakPolarHBondContact O-CG 3.08Å; E421-E425 PolarHBondContact O-N 3.07Å; E425-R428 WeakPolarHBondContact O-CB 3.41Å; E425-R428 PolarHBondContact O-N 3.14Å; E425-T429 PolarHBondContact O-N 3.06Å; E425-T429 PolarHBondContact O-OG1 3.44Å |
| 426 | K | 97.2 | Very high | 95.1 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176.7 | -73.3 | 168.2 | 155 | -146.3 | 0 | 112.2 | T357 M358 D360 K422 M423 L424 R428 T429 V430 | T357-K426 HydrophobicContact CG2-CB 4.45Å; T357-K426 VanDerWaalsContact O-CD 3.32Å; T357-K426 WeakPolarHBondContact O-CD 3.48Å; T357-K426 WeakPolarHBondContact O-CE 3.28Å; T357-K426 PolarHBondContact O-NZ 3Å; M358-K426 HydrophobicContact CG-CB 4.5Å; M358-K426 WeakPolarHBondContact O-CD 3.27Å; M358-K426 PolarHBondContact O-NZ 3.5Å; D360-K426 PolarHBondContact O-NZ 3.44Å; K422-K426 WeakPolarHBondContact O-CG 3.06Å; K422-K426 PolarHBondContact O-N 2.85Å; M423-K426 PolarHBondContact O-N 2.9Å; L424-K426 VanDerWaalsContact C-N 3.34Å; L424-K426 PolarHBondContact O-N 3.25Å; K426-R428 VanDerWaalsContact C-N 3.35Å; K426-R428 PolarHBondContact O-N 3.34Å; K426-T429 WeakPolarHBondContact O-CB 3.37Å; K426-T429 PolarHBondContact O-N 2.96Å; K426-V430 PolarHBondContact O-N 3.15Å; K426-V430 VanDerWaalsContact O-N 3.07Å |
| 427 | M | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 172.6 | 179.3 | -174.2 | -64.6 | 0 | 0 | 110.8 | L354 M358 M386 F390 F410 M423 L424 T429 V430 C431 | L354-M427 HydrophobicContact CD1-CB 4.06Å; L354-M427 HydrophobicContact CD1-CG 3.9Å; M358-M427 HydrophobicContact CG-CB 4.37Å; M358-M427 HydrophobicContact SD-CB 4.04Å; M358-M427 HydrophobicContact SD-CE 3.65Å; M386-M427 HydrophobicContact CE-CE 3.7Å; M386-M427 HydrophobicContact SD-CE 3.94Å; F390-M427 HydrophobicContact CB-CE 4.19Å; F390-M427 HydrophobicContact CB-SD 3.93Å; F390-M427 PolarHBondContact N-SD 3.48Å; F410-M427 HydrophobicContact CE1-CE 4.04Å; F410-M427 HydrophobicContact CZ-CE 4.2Å; M423-M427 WeakPolarHBondContact O-CB 3.13Å; M423-M427 PolarHBondContact O-N 3.18Å; L424-M427 HydrophobicContact CD2-CE 4.47Å; L424-M427 PolarHBondContact O-N 3.18Å; M427-T429 VanDerWaalsContact C-N 3.25Å; M427-T429 PolarHBondContact O-N 3.23Å; M427-V430 PolarHBondContact O-N 3.22Å; M427-C431 VanDerWaalsContact O-CB 3.3Å; M427-C431 WeakPolarHBondContact O-CB 3.41Å; M427-C431 PolarHBondContact O-N 2.89Å; M427-C431 PolarHBondContact O-SG 3.12Å |
| 428 | R | 97.3 | Very high | 94.6 | Very high | 140 Ų | 140 | 76.5 Ų | 76.5 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 176.2 | -172.4 | -179.9 | -61.7 | -81.1 | -3.4 | 112 | L393 L424 E425 K426 C431 S432 | L393-R428 HydrophobicContact CD1-CB 4.04Å; L393-R428 HydrophobicContact CD1-CG 4.3Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 PolarHBondContact O-N 3.45Å; E425-R428 WeakPolarHBondContact O-CB 3.41Å; E425-R428 PolarHBondContact O-N 3.14Å; K426-R428 VanDerWaalsContact C-N 3.35Å; K426-R428 PolarHBondContact O-N 3.34Å; R428-C431 PolarHBondContact O-N 3.15Å; R428-S432 WeakPolarHBondContact O-CB 3.42Å; R428-S432 PolarHBondContact O-N 2.87Å; R428-S432 PolarHBondContact O-OG 3.31Å |
| 429 | T | 96 | Very high | 94.2 | Very high | 100 Ų | 100 | 78.1 Ų | 78.1 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 177.8 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | E425 K426 M427 S432 | E425-T429 PolarHBondContact O-N 3.06Å; E425-T429 PolarHBondContact O-OG1 3.44Å; K426-T429 WeakPolarHBondContact O-CB 3.37Å; K426-T429 PolarHBondContact O-N 2.96Å; M427-T429 VanDerWaalsContact C-N 3.25Å; M427-T429 PolarHBondContact O-N 3.23Å; T429-S432 PolarHBondContact O-OG 2.74Å |
| 430 | V | 96.3 | Very high | 93.7 | Very high | 18 Ų | 18 | 73.9 Ų | 73.9 | 11% | 0.109 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70 | -38.7 | 177.5 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | F350 L354 T357 K426 M427 G433 | F350-V430 HydrophobicContact CE2-CG1 4.03Å; F350-V430 HydrophobicContact CZ-CG1 4.15Å; L354-V430 HydrophobicContact CB-CG1 4.1Å; L354-V430 HydrophobicContact CD1-CB 3.84Å; L354-V430 HydrophobicContact CD1-CG1 4.09Å; L354-V430 HydrophobicContact CD1-CG2 4.2Å; T357-V430 HydrophobicContact CG2-CG2 3.61Å; K426-V430 PolarHBondContact O-N 3.15Å; K426-V430 VanDerWaalsContact O-N 3.07Å; M427-V430 PolarHBondContact O-N 3.22Å; V430-G433 PolarHBondContact O-N 3.22Å |
| 431 | C | 96.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 74.6 Ų | 74.6 | 3% | 0.034 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -82.8 | -14.3 | -172.2 | -62.7 | 0 | 0 | 0 | 0 | 114.8 | L393 C394 M427 R428 G433 K435 | L393-C431 HydrophobicContact CB-CB 4.06Å; L393-C431 WeakPolarHBondContact O-CB 3.43Å; C394-C431 HydrophobicContact CB-CB 3.88Å; C394-C431 WeakPolarHBondContact CB-SG 3.24Å; C394-C431 WeakPolarHBondContact SG-CB 3.06Å; C394-C431 CovalentContact SG-SG 2.01Å; C394-C431 PolarHBondContact SG-SG 3.14Å; M427-C431 VanDerWaalsContact O-CB 3.3Å; M427-C431 WeakPolarHBondContact O-CB 3.41Å; M427-C431 PolarHBondContact O-N 2.89Å; M427-C431 PolarHBondContact O-SG 3.12Å; R428-C431 PolarHBondContact O-N 3.15Å; C431-G433 VanDerWaalsContact C-N 3.28Å; C431-K435 PolarHBondContact O-NZ 3.07Å |
| 432 | S | 94 | Very high | 92.3 | Very high | 98 Ų | 98 | 73 Ų | 73 | 69% | 0.685 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.1 | 170.1 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | R428 T429 | R428-S432 WeakPolarHBondContact O-CB 3.42Å; R428-S432 PolarHBondContact O-N 2.87Å; R428-S432 PolarHBondContact O-OG 3.31Å; T429-S432 PolarHBondContact O-OG 2.74Å |
| 433 | G | 90.5 | Very high | 92 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -63.1 | 153.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V430 C431 K435 | V430-G433 PolarHBondContact O-N 3.22Å; C431-G433 VanDerWaalsContact C-N 3.28Å; G433-K435 PolarHBondContact O-N 3.27Å |
| 434 | E | 87.6 | Confident | 91.8 | Very high | 194 Ų | 194 | 74.7 Ų | 74.7 | 91% | 0.907 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 124.8 | 177.1 | -170.1 | 178.6 | -178.3 | 0 | 0 | 110.9 | ||
| 435 | K | 90.7 | Very high | 91.4 | Very high | 38 Ų | 38 | 77.9 Ų | 77.9 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 119.3 | 179 | -55.5 | -175 | -177 | 95.7 | 0 | 109.6 | Y346 L393 C394 F395 C431 G433 Y437 | Y346-K435 WeakPolarHBondContact OH-CA 3.36Å; L393-K435 PolarHBondContact O-NZ 2.83Å; C394-K435 WeakPolarHBondContact O-CE 3.39Å; C394-K435 PolarHBondContact O-NZ 3.34Å; F395-K435 HydrophobicContact CD2-CD 4.47Å; F395-K435 HydrophobicContact CE2-CD 3.85Å; F395-K435 HydrophobicContact CZ-CD 3.96Å; C431-K435 PolarHBondContact O-NZ 3.07Å; G433-K435 PolarHBondContact O-N 3.27Å; K435-Y437 PolarHBondContact O-N 3.14Å |
| 436 | R | 90.9 | Very high | 91.1 | Very high | 183 Ų | 183 | 74.7 Ų | 74.7 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -60 | -36.6 | 175.3 | -179.5 | 177.6 | 176.5 | 171.4 | 1 | 111.8 | Y346 | Y346-R436 HydrophobicContact CD2-CB 4.38Å; Y346-R436 HydrophobicContact CE2-CB 3.85Å; Y346-R436 PolarHBondContact OH-N 3.5Å; Y346-R436 VanDerWaalsContact OH-N 3.1Å |
| 437 | Y | 91.6 | Very high | 90.6 | Very high | 26 Ų | 26 | 77.1 Ų | 77.1 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | trans | -128.1 | 136.9 | 176.6 | -57.6 | -60.5 | 0 | 0 | 0 | 109.6 | H339 K343 Y346 F395 K435 | H339-Y437 AromaticContact CE1-CE1 3.59Å; H339-Y437 AromaticContact CE1-CZ 3.86Å; H339-Y437 PolarHBondContact CE1-OH 3.37Å; H339-Y437 AromaticContact NE2-CE1 3.9Å; K343-Y437 HydrophobicContact CB-CD2 4.39Å; K343-Y437 HydrophobicContact CD-CD1 4.46Å; K343-Y437 HydrophobicContact CG-CD1 3.83Å; K343-Y437 HydrophobicContact CG-CD2 3.85Å; K343-Y437 HydrophobicContact CG-CE1 4.04Å; K343-Y437 HydrophobicContact CG-CE2 4.06Å; K343-Y437 HydrophobicContact CG-CG 3.73Å; Y346-Y437 AromaticContact CD1-CD2 3.67Å; Y346-Y437 HydrophobicContact CD1-CD2 3.67Å; Y346-Y437 HydrophobicContact CD1-CG 4.36Å; Y346-Y437 HydrophobicContact CD2-CD2 4.4Å; Y346-Y437 HydrophobicContact CE1-CD2 4.37Å; Y346-Y437 AromaticContact CG-CD2 3.67Å; Y346-Y437 HydrophobicContact CG-CD2 3.67Å; Y346-Y437 HydrophobicContact CG-CE2 4.26Å; F395-Y437 VanDerWaalsContact CE1-O 3.24Å; F395-Y437 WeakPolarHBondContact CE1-O 3.36Å; F395-Y437 WeakPolarHBondContact CZ-O 3.08Å; K435-Y437 PolarHBondContact O-N 3.14Å | ||
| 438 | R | 86.6 | Confident | 90.1 | Very high | 209 Ų | 209 | 82.6 Ų | 82.6 | 79% | 0.789 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -109.6 | -15.8 | 171.8 | -63.9 | -173.7 | -179.3 | -164.4 | -0.3 | 113.4 | N400 | N400-R438 PolarHBondContact ND2-O 3.07Å; N400-R438 PolarHBondContact OD1-O 3.07Å |
| 439 | N | 87.7 | Confident | 89.6 | Confident | 68 Ų | 68 | 78.2 Ų | 78.2 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -120.1 | 124.1 | 173.7 | -179 | 1 | 0 | 0 | 0 | 109.1 | K343 N400 L441 | K343-N439 WeakPolarHBondContact CD-O 3.4Å; K343-N439 WeakPolarHBondContact CE-O 3.33Å; K343-N439 PolarHBondContact NZ-O 3Å; N400-N439 VanDerWaalsContact OD1-CA 3.22Å; N400-N439 WeakPolarHBondContact OD1-CA 3.22Å; N439-L441 WeakPolarHBondContact OD1-CG 3.32Å; N439-L441 PolarHBondContact OD1-N 3.34Å | ||
| 440 | I | 85.6 | Confident | 89 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -125.6 | 6.7 | -176.9 | 63.9 | 166.4 | 0 | 0 | 0 | 114.2 | K343 F347 F395 N400 Y402 A403 | K343-I440 HydrophobicContact CB-CB 4.43Å; K343-I440 HydrophobicContact CB-CG2 4.3Å; F347-I440 HydrophobicContact CB-CB 4.49Å; F347-I440 HydrophobicContact CB-CD1 3.64Å; F347-I440 HydrophobicContact CB-CG2 4.14Å; F347-I440 HydrophobicContact CD1-CD1 3.73Å; F347-I440 HydrophobicContact CD2-CD1 3.24Å; F347-I440 HydrophobicContact CE1-CD1 4.17Å; F347-I440 HydrophobicContact CE2-CD1 3.7Å; F347-I440 HydrophobicContact CG-CD1 3.21Å; F347-I440 HydrophobicContact CZ-CD1 4.15Å; F395-I440 HydrophobicContact CD1-CD1 4.44Å; F395-I440 HydrophobicContact CD1-CG2 4.37Å; F395-I440 HydrophobicContact CE1-CG2 3.87Å; N400-I440 HydrophobicContact CB-CD1 4.33Å; N400-I440 HydrophobicContact CB-CG1 3.81Å; N400-I440 WeakPolarHBondContact OD1-CG1 3.22Å; N400-I440 PolarHBondContact OD1-N 2.95Å; Y402-I440 HydrophobicContact CD1-CD1 4.19Å; A403-I440 HydrophobicContact CB-CD1 3.84Å | ||
| 441 | L | 70.6 | Confident | 88.4 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 20% | 0.204 | 40% | 0.395 | C | S | . | . | trans | 17.6 | 0 | -174.5 | -81.8 | 178 | 0 | 0 | 0 | 117.6 | Y42 L340 R344 Y402 N439 | Y42-L441 HydrophobicContact CE1-CD1 4.37Å; Y42-L441 HydrophobicContact CE1-CD2 4.09Å; Y42-L441 WeakPolarHBondContact OH-CD2 3.47Å; L340-L441 HydrophobicContact CD1-CB 4.15Å; R344-L441 PolarHBondContact NE-O 3.29Å; R344-L441 PolarHBondContact NH2-O 3.41Å; Y402-L441 VanDerWaalsContact CB-C 3.46Å; Y402-L441 WeakPolarHBondContact CB-OXT 3.49Å; Y402-L441 PolarHBondContact N-OXT 3.35Å; N439-L441 WeakPolarHBondContact OD1-CG 3.32Å; N439-L441 PolarHBondContact OD1-N 3.34Å |
Retrieved 441 of 441 residues in 872.9 ms
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