| 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 | 37.4 | Very low | 35.8 | Very low | 250 Ų | 250 | 153.2 Ų | 153.2 | 100% | 1.232 | 87% | 0.873 | S | S | * | * | 0 | 101 | 0 | -69.1 | -178.6 | -168.8 | 0 | 0 | 106.5 | |||||
| 2 | S | 35.2 | Very low | 36 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 88% | 0.881 | 86% | 0.861 | S | S | * | * | trans | -121.3 | 131.1 | -167.5 | 44.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 3 | G | 36 | Very low | 35.5 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | trans | -155.4 | 101.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | G | 33.1 | Very low | 35.6 | Very low | 86 Ų | 86 | 141 Ų | 141 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 144.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 5 | S | 38.3 | Very low | 35.4 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 126.6 | 167.7 | 6.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 6 | A | 37.5 | Very low | 35.1 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 133.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 7 | D | 35.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 125 | 161.5 | -92.6 | -37 | 0 | 0 | 0 | 109.7 | ||
| 8 | Y | 35.1 | Very low | 35.4 | Very low | 224 Ų | 224 | 136.4 Ų | 136.4 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | trans | -92.1 | 113.4 | 170.3 | -110.8 | -93.3 | 0 | 0 | 0 | 109 | ||||
| 9 | N | 35.6 | Very low | 35.5 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -53.3 | 134.7 | 176.7 | -86.7 | -23 | 0 | 0 | 0 | 112.8 | E11 | N9-E11 PolarHBondContact O-N 2.71Š| ||
| 10 | R | 36.4 | Very low | 36.2 | Very low | 219 Ų | 219 | 130.6 Ų | 130.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -74 | 102.3 | 161.2 | -73.3 | 178.1 | 178.9 | 175.5 | -2.1 | 108.9 | ||||
| 11 | E | 33.7 | Very low | 36.7 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -97.7 | 101.7 | 162.7 | -77.3 | -177.7 | 171.9 | 0 | 0 | 108.8 | N9 G13 | N9-E11 PolarHBondContact O-N 2.71Å; E11-G13 PolarHBondContact O-N 3.3Å | ||
| 12 | H | 39 | Very low | 37.5 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -79.1 | 101.3 | 175.3 | -73.3 | -77.2 | 0 | 0 | 0 | 109.7 | G14 | H12-G14 VanDerWaalsContact C-N 3.33Å; H12-G14 PolarHBondContact O-N 3.23Å | ||
| 13 | G | 29.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | -87.8 | 48.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | E11 | E11-G13 PolarHBondContact O-N 3.3Š| ||
| 14 | G | 36.2 | Very low | 41 | Very low | 50 Ų | 50 | 112.4 Ų | 112.4 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -85.3 | 168.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | H12 E16 | H12-G14 VanDerWaalsContact C-N 3.33Å; H12-G14 PolarHBondContact O-N 3.23Å; G14-E16 PolarHBondContact O-N 3.37Å |
| 15 | P | 33.3 | Very low | 43.4 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 61% | 0.61 | 64% | 0.637 | S | S | * | * | trans | -52.9 | 129 | 167.3 | 24.4 | -31.4 | 0 | 0 | 0 | 108.4 | G17 | P15-G17 PolarHBondContact O-N 3.15Š| ||
| 16 | E | 30.7 | Very low | 45.8 | Very low | 207 Ų | 207 | 109.7 Ų | 109.7 | 97% | 0.967 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 109 | 175.9 | -71.3 | -178.2 | 153.7 | 0 | 0 | 108.6 | G14 | G14-E16 PolarHBondContact O-N 3.37Š|
| 17 | G | 37.1 | Very low | 48.5 | Very low | 61 Ų | 61 | 109.1 Ų | 109.1 | 63% | 0.629 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.5 | -22.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | P15 | P15-G17 PolarHBondContact O-N 3.15Š|
| 18 | M | 38.2 | Very low | 51.2 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | trans | -97 | 107.9 | -179.4 | -86.1 | -177 | -176.3 | 0 | 0 | 112.3 | P20 | M18-P20 VanDerWaalsContact O-CD 3.22Å; M18-P20 WeakPolarHBondContact O-CD 3.48Å | ||
| 19 | D | 37.4 | Very low | 53.8 | Low | 108 Ų | 108 | 99.3 Ų | 99.3 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | trans | -80.9 | 102.4 | 154.7 | -178.2 | -4.8 | 0 | 0 | 0 | 107.9 | D21 G22 V23 | D19-D21 PolarHBondContact O-N 2.79Å; D19-D21 PolarHBondContact OD1-N 2.95Å; D19-G22 PolarHBondContact O-N 3.11Å; D19-V23 WeakPolarHBondContact O-CG2 3.49Å | ||
| 20 | P | 48.2 | Very low | 56.6 | Low | 48 Ų | 48 | 96.2 Ų | 96.2 | 31% | 0.312 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -14.5 | -173.6 | 25.8 | -33.2 | 0 | 0 | 0 | 113.7 | M18 A58 R62 | M18-P20 VanDerWaalsContact O-CD 3.22Å; M18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-A58 HydrophobicContact CB-CB 4.39Å; P20-R62 PolarHBondContact O-NH2 3.29Å |
| 21 | D | 48.5 | Very low | 59.3 | Low | 114 Ų | 114 | 89.1 Ų | 89.1 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -89.7 | -16.9 | -174.4 | -68.1 | -22.7 | 0 | 0 | 0 | 113.7 | D19 R62 | D19-D21 PolarHBondContact O-N 2.79Å; D19-D21 PolarHBondContact OD1-N 2.95Å; D21-R62 IonicContact OD1-NH2 3.09Å; D21-R62 PolarHBondContact OD1-NH2 3.31Å; D21-R62 VanDerWaalsContact OD1-NH2 3.09Å |
| 22 | G | 52.2 | Low | 62.2 | Low | 33 Ų | 33 | 81.1 Ų | 81.1 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -82.1 | -24.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D19 K238 | D19-G22 PolarHBondContact O-N 3.11Å; G22-K238 WeakPolarHBondContact O-CE 3.32Å; G22-K238 PolarHBondContact O-NZ 3.22Å |
| 23 | V | 69.2 | Low | 64.8 | Low | 25 Ų | 25 | 78.8 Ų | 78.8 | 15% | 0.152 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -97.5 | -31.5 | -157.4 | -176.7 | 0 | 0 | 0 | 0 | 113.8 | D19 V237 K238 E241 | D19-V23 WeakPolarHBondContact O-CG2 3.49Å; V23-V237 HydrophobicContact CG1-CG1 3.89Å; V23-K238 PolarHBondContact O-N 3.08Å; V23-E241 WeakPolarHBondContact CB-OE2 3.49Å; V23-E241 HydrophobicContact CG1-CB 4.03Å; V23-E241 HydrophobicContact CG1-CG 4.47Å; V23-E241 WeakPolarHBondContact CG1-OE2 3.21Å; V23-E241 WeakPolarHBondContact CG2-OE2 3.48Å |
| 24 | I | 77.1 | Confident | 67.9 | Low | 31 Ų | 31 | 77.2 Ų | 77.2 | 16% | 0.159 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117 | -165.6 | -60.6 | 176.5 | 0 | 0 | 0 | 110.4 | A58 I235 L236 | I24-A58 HydrophobicContact CD1-CB 4.13Å; I24-I235 HydrophobicContact CG2-CG2 3.55Å; I24-L236 CarbonylContact C-O 3.3Å; I24-L236 VanDerWaalsContact CA-O 3.27Å; I24-L236 WeakPolarHBondContact CA-O 3.43Å |
| 25 | E | 83.8 | Confident | 70.7 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 109.9 | 169.6 | -69.2 | -176.9 | -178.4 | 0 | 0 | 109.6 | L236 K238 | E25-L236 PolarHBondContact N-O 3.25Å; E25-L236 PolarHBondContact O-N 3.11Å; E25-K238 HydrophobicContact CG-CG 4.06Å |
| 26 | S | 88 | Confident | 73.7 | Confident | 40 Ų | 40 | 74.3 Ų | 74.3 | 28% | 0.28 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.9 | -176.7 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | W28 R234 | S26-W28 VanDerWaalsContact C-N 3.29Å; S26-W28 WeakPolarHBondContact OG-CA 3.08Å; S26-W28 WeakPolarHBondContact OG-CB 3.34Å; S26-W28 PolarHBondContact OG-N 3.4Å; S26-W28 PolarHBondContact OG-O 3.42Å; S26-R234 WeakPolarHBondContact CA-O 3.5Å; S26-R234 PolarHBondContact OG-O 3.22Å |
| 27 | N | 93 | Very high | 76.9 | Confident | 78 Ų | 78 | 70 Ų | 70 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -91.2 | 7.7 | 164.8 | 69.8 | -12.1 | 0 | 0 | 0 | 112.6 | P232 I233 R234 | N27-P232 PolarHBondContact ND2-O 3.15Å; N27-I233 VanDerWaalsContact OD1-CA 3.25Å; N27-I233 WeakPolarHBondContact OD1-CA 3.46Å; N27-R234 PolarHBondContact N-O 3.38Å; N27-R234 VanDerWaalsContact N-O 3.15Å; N27-R234 PolarHBondContact OD1-N 2.88Å; N27-R234 PolarHBondContact OD1-O 2.95Å |
| 28 | W | 93.1 | Very high | 79.7 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 13% | 0.125 | 36% | 0.363 | C | S | . | . | trans | -113.2 | 127.5 | 172.8 | -177.9 | -95.3 | 0 | 0 | 0 | 110.5 | S26 E30 I65 P66 K69 Y71 I233 | S26-W28 VanDerWaalsContact C-N 3.29Å; S26-W28 WeakPolarHBondContact OG-CA 3.08Å; S26-W28 WeakPolarHBondContact OG-CB 3.34Å; S26-W28 PolarHBondContact OG-N 3.4Å; S26-W28 PolarHBondContact OG-O 3.42Å; W28-E30 VanDerWaalsContact CD1-O 3.22Å; W28-E30 HydrophobicContact CZ2-CB 4.06Å; W28-E30 WeakPolarHBondContact CZ2-OE2 3.42Å; W28-E30 PolarHBondContact NE1-O 2.92Å; W28-E30 VanDerWaalsContact NE1-O 3.11Å; W28-I65 HydrophobicContact CZ2-CB 4.45Å; W28-I65 HydrophobicContact CZ2-CG2 3.79Å; W28-P66 HydrophobicContact CD2-CB 3.95Å; W28-P66 HydrophobicContact CD2-CG 4.17Å; W28-P66 HydrophobicContact CE3-CB 4.08Å; W28-P66 HydrophobicContact CG-CB 4.45Å; W28-P66 HydrophobicContact CG-CG 4.24Å; W28-P66 HydrophobicContact CH2-CB 4.49Å; W28-P66 HydrophobicContact CZ2-CB 4.37Å; W28-P66 HydrophobicContact CZ3-CB 4.33Å; W28-K69 HydrophobicContact CH2-CD 3.67Å; W28-K69 HydrophobicContact CZ2-CD 4.13Å; W28-Y71 HydrophobicContact CH2-CE2 4.1Å; W28-Y71 HydrophobicContact CZ3-CD2 4.17Å; W28-Y71 AromaticContact CZ3-CE2 3.81Å; W28-Y71 HydrophobicContact CZ3-CE2 3.81Å; W28-I233 HydrophobicContact CB-CD1 4.47Å; W28-I233 HydrophobicContact CB-CG2 3.52Å; W28-I233 HydrophobicContact CE3-CD1 3.78Å; W28-I233 HydrophobicContact CE3-CG1 4.1Å; W28-I233 HydrophobicContact CG-CG2 4.23Å | ||
| 29 | N | 90.3 | Very high | 82.4 | Confident | 149 Ų | 149 | 68.4 Ų | 68.4 | 80% | 0.797 | 37% | 0.371 | S | S | * | . | trans | -100.4 | -16.9 | -168.6 | -60.4 | -27.2 | 0 | 0 | 0 | 114.2 | ||||
| 30 | E | 92.6 | Very high | 85.3 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | trans | -81.5 | 122.8 | -177.6 | -177.8 | -174.2 | 168.6 | 0 | 0 | 109.6 | W28 V32 K69 | W28-E30 VanDerWaalsContact CD1-O 3.22Å; W28-E30 HydrophobicContact CZ2-CB 4.06Å; W28-E30 WeakPolarHBondContact CZ2-OE2 3.42Å; W28-E30 PolarHBondContact NE1-O 2.92Å; W28-E30 VanDerWaalsContact NE1-O 3.11Å; E30-V32 HydrophobicContact CG-CG2 4.11Å; E30-K69 IonicContact OE1-NZ 3.94Å; E30-K69 IonicContact OE2-NZ 2.71Å; E30-K69 PolarHBondContact OE2-NZ 2.73Å | ||
| 31 | I | 93.8 | Very high | 87.6 | Confident | 71 Ų | 71 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -117.8 | 129.3 | 176.1 | -58.6 | 170.8 | 0 | 0 | 0 | 106.7 | Q61 R62 | I31-Q61 HydrophobicContact CG2-CB 3.97Å; I31-R62 HydrophobicContact CG1-CG 4.1Å | ||
| 32 | V | 94.4 | Very high | 90 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | trans | -123.2 | 112.9 | -178.9 | -172.4 | 0 | 0 | 0 | 0 | 110 | E30 N34 D37 M38 Q61 I65 | E30-V32 HydrophobicContact CG-CG2 4.11Å; V32-N34 WeakPolarHBondContact CG1-O 3.32Å; V32-N34 PolarHBondContact O-N 3.18Å; V32-D37 HydrophobicContact CG1-CB 3.53Å; V32-M38 HydrophobicContact CB-CE 4.07Å; V32-M38 HydrophobicContact CB-CG 4.01Å; V32-M38 HydrophobicContact CG1-CE 4.27Å; V32-M38 HydrophobicContact CG1-CG 3.58Å; V32-M38 WeakPolarHBondContact O-CE 3.35Å; V32-Q61 PolarHBondContact N-O 3.14Å; V32-Q61 VanDerWaalsContact N-O 3.09Å; V32-Q61 WeakPolarHBondContact O-CA 3.37Å; V32-Q61 WeakPolarHBondContact O-CB 3.37Å; V32-Q61 WeakPolarHBondContact O-CG 3.42Å; V32-I65 HydrophobicContact CG2-CD1 4.41Å; V32-I65 HydrophobicContact CG2-CG1 3.86Å | ||
| 33 | D | 93.2 | Very high | 92.1 | Very high | 107 Ų | 107 | 68.2 Ų | 68.2 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -85 | -6.1 | -169 | -65.1 | -32.8 | 0 | 0 | 0 | 114.7 | P56 | D33-P56 VanDerWaalsContact C-CG 3.5Å; D33-P56 VanDerWaalsContact O-CD 3.26Å; D33-P56 WeakPolarHBondContact O-CD 3.4Å; D33-P56 WeakPolarHBondContact O-CG 3.46Å |
| 34 | N | 94.7 | Very high | 93.5 | Very high | 51 Ų | 51 | 67 Ų | 67 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -137.9 | 142.2 | 177.3 | -169.3 | -6.5 | 0 | 0 | 0 | 110.8 | V32 D36 D37 Y49 | V32-N34 WeakPolarHBondContact CG1-O 3.32Å; V32-N34 PolarHBondContact O-N 3.18Å; N34-D36 PolarHBondContact ND2-OD2 3.19Å; N34-D36 PolarHBondContact O-N 3.09Å; N34-D36 PolarHBondContact OD1-N 3.04Å; N34-D36 PolarHBondContact OD1-OD2 3.09Å; N34-D37 WeakPolarHBondContact CB-OD2 3.26Å; N34-D37 PolarHBondContact O-N 3.5Å; N34-Y49 PolarHBondContact OD1-OH 3.15Å |
| 35 | F | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -61.1 | -33.6 | 175.4 | -67.8 | -68.4 | 0 | 0 | 0 | 112.5 | D37 M38 L40 L45 I48 F53 K55 P56 I64 I89 | F35-D37 PolarHBondContact O-N 3.12Å; F35-M38 HydrophobicContact CD1-CE 4.3Å; F35-M38 HydrophobicContact CD1-SD 3.96Å; F35-M38 WeakPolarHBondContact O-CB 3.38Å; F35-M38 PolarHBondContact O-N 3.37Å; F35-M38 VanDerWaalsContact O-N 3.12Å; F35-L40 HydrophobicContact CD1-CD1 4.43Å; F35-L45 HydrophobicContact CB-CD2 3.86Å; F35-I48 HydrophobicContact CD1-CD1 4.27Å; F35-I48 HydrophobicContact CD1-CG2 4.26Å; F35-I48 HydrophobicContact CD2-CG2 3.78Å; F35-I48 HydrophobicContact CE1-CG2 4.33Å; F35-I48 HydrophobicContact CE2-CG2 3.86Å; F35-I48 HydrophobicContact CG-CG2 3.99Å; F35-I48 HydrophobicContact CZ-CG2 4.13Å; F35-F53 HydrophobicContact CE2-CB 3.9Å; F35-F53 HydrophobicContact CZ-CB 4.31Å; F35-K55 VanDerWaalsContact CE2-C 3.48Å; F35-P56 HydrophobicContact CD1-CB 4.35Å; F35-P56 HydrophobicContact CE1-CB 3.86Å; F35-P56 HydrophobicContact CE2-CB 4.18Å; F35-P56 HydrophobicContact CZ-CB 3.78Å; F35-I64 HydrophobicContact CD1-CD1 4.43Å; F35-I64 HydrophobicContact CE1-CD1 3.91Å; F35-I89 HydrophobicContact CE1-CD1 3.85Å |
| 36 | D | 96.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.444 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -61.2 | -32.2 | 178.1 | -63.7 | -60.5 | 0 | 0 | 0 | 112.4 | N34 M38 Y49 | N34-D36 PolarHBondContact ND2-OD2 3.19Å; N34-D36 PolarHBondContact O-N 3.09Å; N34-D36 PolarHBondContact OD1-N 3.04Å; N34-D36 PolarHBondContact OD1-OD2 3.09Å; D36-M38 PolarHBondContact O-N 3.33Å; D36-Y49 VanDerWaalsContact CG-OH 3.26Å; D36-Y49 PolarHBondContact OD1-OH 2.65Å; D36-Y49 PolarHBondContact OD2-OH 3.24Å |
| 37 | D | 96.2 | Very high | 95.6 | Very high | 116 Ų | 116 | 66.8 Ų | 66.8 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -81.9 | -3.2 | -178.8 | -62.1 | -39.1 | 0 | 0 | 0 | 112.7 | V32 N34 F35 N39 | V32-D37 HydrophobicContact CG1-CB 3.53Å; N34-D37 WeakPolarHBondContact CB-OD2 3.26Å; N34-D37 PolarHBondContact O-N 3.5Å; F35-D37 PolarHBondContact O-N 3.12Å; D37-N39 VanDerWaalsContact C-N 3.33Å |
| 38 | M | 96.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 3% | 0.034 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -87.7 | 2.3 | 179.7 | -62.3 | -177.8 | -176.3 | 0 | 0 | 113.9 | V32 F35 D36 L40 P56 I64 I65 | V32-M38 HydrophobicContact CB-CE 4.07Å; V32-M38 HydrophobicContact CB-CG 4.01Å; V32-M38 HydrophobicContact CG1-CE 4.27Å; V32-M38 HydrophobicContact CG1-CG 3.58Å; V32-M38 WeakPolarHBondContact O-CE 3.35Å; F35-M38 HydrophobicContact CD1-CE 4.3Å; F35-M38 HydrophobicContact CD1-SD 3.96Å; F35-M38 WeakPolarHBondContact O-CB 3.38Å; F35-M38 PolarHBondContact O-N 3.37Å; F35-M38 VanDerWaalsContact O-N 3.12Å; D36-M38 PolarHBondContact O-N 3.33Å; M38-L40 VanDerWaalsContact C-N 3.29Å; M38-L40 HydrophobicContact CB-CD1 4.18Å; M38-L40 HydrophobicContact CB-CD2 4.25Å; M38-L40 HydrophobicContact CB-CG 3.83Å; M38-L40 PolarHBondContact O-N 3.32Å; M38-P56 HydrophobicContact CE-CB 3.79Å; M38-P56 HydrophobicContact CE-CG 3.9Å; M38-I64 HydrophobicContact CE-CD1 4.28Å; M38-I64 HydrophobicContact SD-CB 3.95Å; M38-I64 HydrophobicContact SD-CD1 3.85Å; M38-I64 HydrophobicContact SD-CG1 4.5Å; M38-I64 HydrophobicContact SD-CG2 3.68Å; M38-I65 HydrophobicContact CB-CD1 3.67Å; M38-I65 HydrophobicContact CG-CD1 3.85Å; M38-I65 HydrophobicContact CG-CG1 4.48Å |
| 39 | N | 95.2 | Very high | 96 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 75% | 0.754 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 44.2 | -178.3 | -168 | 39.2 | 0 | 0 | 0 | 113.1 | D37 Q93 | D37-N39 VanDerWaalsContact C-N 3.33Å; N39-Q93 PolarHBondContact O-NE2 3.31Å |
| 40 | L | 97.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | trans | -78.9 | 154.8 | 178.3 | -60.7 | 177.5 | 0 | 0 | 0 | 111 | F35 M38 E42 L44 L45 I48 I64 I68 I89 Q93 | F35-L40 HydrophobicContact CD1-CD1 4.43Å; M38-L40 VanDerWaalsContact C-N 3.29Å; M38-L40 HydrophobicContact CB-CD1 4.18Å; M38-L40 HydrophobicContact CB-CD2 4.25Å; M38-L40 HydrophobicContact CB-CG 3.83Å; M38-L40 PolarHBondContact O-N 3.32Å; L40-E42 PolarHBondContact O-N 3.28Å; L40-L44 HydrophobicContact CD2-CD2 4.42Å; L40-L45 HydrophobicContact CB-CD1 4.3Å; L40-L45 HydrophobicContact CB-CD2 3.91Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD1-CD2 3.84Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; L40-I48 HydrophobicContact CD1-CD1 3.61Å; L40-I64 HydrophobicContact CD2-CG2 4.49Å; L40-I68 HydrophobicContact CD2-CD1 3.39Å; L40-I89 HydrophobicContact CD1-CG2 3.95Å; L40-I89 HydrophobicContact CD2-CG2 4.14Å; L40-Q93 HydrophobicContact CD2-CB 4.3Å; L40-Q93 HydrophobicContact CD2-CG 4.03Å | ||
| 41 | K | 97.8 | Very high | 96.3 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | trans | -57 | 136.6 | 172.1 | -72 | 165.9 | 177.5 | 165.4 | 0 | 109.5 | S43 L44 L45 Q93 L95 M128 | K41-S43 PolarHBondContact O-N 3.3Å; K41-L44 HydrophobicContact CB-CB 4.15Å; K41-L44 WeakPolarHBondContact O-CA 3.42Å; K41-L44 WeakPolarHBondContact O-CB 3.27Å; K41-L44 PolarHBondContact O-N 3.37Å; K41-L45 PolarHBondContact O-N 3.45Å; K41-Q93 WeakPolarHBondContact CE-O 3.13Å; K41-Q93 PolarHBondContact NZ-O 2.72Å; K41-L95 PolarHBondContact NZ-O 3.22Å; K41-M128 HydrophobicContact CD-CE 3.82Å | ||
| 42 | E | 97.5 | Very high | 96.2 | Very high | 173 Ų | 173 | 62.2 Ų | 62.2 | 81% | 0.808 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.8 | -39.2 | -178.9 | -65.7 | -179.1 | 173.7 | 0 | 0 | 112.9 | L40 L44 L45 R46 | L40-E42 PolarHBondContact O-N 3.28Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.9Å; E42-L45 PolarHBondContact O-N 3.24Å; E42-R46 WeakPolarHBondContact O-CB 3.25Å; E42-R46 PolarHBondContact O-N 3.45Å |
| 43 | S | 97.5 | Very high | 96.1 | Very high | 41 Ų | 41 | 63.6 Ų | 63.6 | 29% | 0.287 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 175.4 | 47.6 | 0 | 0 | 0 | 0 | 112.9 | K41 G47 Y127 | K41-S43 PolarHBondContact O-N 3.3Å; S43-G47 PolarHBondContact O-N 3.45Å; S43-Y127 WeakPolarHBondContact CB-O 3.46Å; S43-Y127 WeakPolarHBondContact O-CB 3.18Å |
| 44 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.3 | -45 | 175 | 179.5 | 55.3 | 0 | 0 | 0 | 111.4 | L40 K41 E42 R46 G47 I48 I89 L92 Q93 M128 | L40-L44 HydrophobicContact CD2-CD2 4.42Å; K41-L44 HydrophobicContact CB-CB 4.15Å; K41-L44 WeakPolarHBondContact O-CA 3.42Å; K41-L44 WeakPolarHBondContact O-CB 3.27Å; K41-L44 PolarHBondContact O-N 3.37Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.9Å; L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.19Å; L44-G47 WeakPolarHBondContact O-CA 3.39Å; L44-G47 PolarHBondContact O-N 2.93Å; L44-I48 HydrophobicContact CD1-CD1 4.41Å; L44-I48 HydrophobicContact CD1-CG1 4.39Å; L44-I48 HydrophobicContact CG-CD1 4.09Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.36Å; L44-I89 HydrophobicContact CD2-CG2 4.11Å; L44-L92 HydrophobicContact CD1-CB 3.74Å; L44-L92 HydrophobicContact CD1-CD1 3.67Å; L44-L92 HydrophobicContact CD1-CG 4.35Å; L44-L92 HydrophobicContact CD2-CB 4.04Å; L44-Q93 HydrophobicContact CD2-CB 3.79Å; L44-M128 HydrophobicContact CB-SD 3.8Å; L44-M128 HydrophobicContact CD1-SD 4.03Å; L44-M128 HydrophobicContact CG-SD 4.38Å |
| 45 | L | 97.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.5 | -44.6 | 174.4 | -76.3 | 171.6 | 0 | 0 | 0 | 111.4 | F35 L40 K41 E42 G47 I48 Y49 | F35-L45 HydrophobicContact CB-CD2 3.86Å; L40-L45 HydrophobicContact CB-CD1 4.3Å; L40-L45 HydrophobicContact CB-CD2 3.91Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD1-CD2 3.84Å; L40-L45 HydrophobicContact CG-CD2 4.36Å; K41-L45 PolarHBondContact O-N 3.45Å; E42-L45 PolarHBondContact O-N 3.24Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.29Å; L45-I48 WeakPolarHBondContact O-CB 3.47Å; L45-I48 PolarHBondContact O-N 2.7Å; L45-Y49 HydrophobicContact CB-CE2 4.49Å; L45-Y49 HydrophobicContact CD2-CE2 4.42Å; L45-Y49 WeakPolarHBondContact O-CD2 3.27Å; L45-Y49 PolarHBondContact O-N 3.03Å |
| 46 | R | 97.5 | Very high | 95.6 | Very high | 156 Ų | 156 | 71.8 Ų | 71.8 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.1 | -41.5 | 175 | -170.5 | 179.2 | 176.8 | 178.3 | -0.9 | 112.1 | E42 L44 A50 Y127 | E42-R46 WeakPolarHBondContact O-CB 3.25Å; E42-R46 PolarHBondContact O-N 3.45Å; L44-R46 VanDerWaalsContact C-N 3.26Å; L44-R46 PolarHBondContact O-N 3.19Å; R46-A50 WeakPolarHBondContact O-CB 3.2Å; R46-A50 PolarHBondContact O-N 3.23Å; R46-Y127 HydrophobicContact CB-CD2 4.01Å; R46-Y127 HydrophobicContact CB-CE2 4.45Å; R46-Y127 HydrophobicContact CB-CG 4.31Å; R46-Y127 HydrophobicContact CG-CD1 4.31Å; R46-Y127 HydrophobicContact CG-CD2 3.7Å; R46-Y127 HydrophobicContact CG-CE1 4.36Å; R46-Y127 HydrophobicContact CG-CE2 3.72Å; R46-Y127 HydrophobicContact CG-CG 3.99Å |
| 47 | G | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S43 L44 L45 A50 Y51 L124 | S43-G47 PolarHBondContact O-N 3.45Å; L44-G47 WeakPolarHBondContact O-CA 3.39Å; L44-G47 PolarHBondContact O-N 2.93Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.29Å; G47-A50 PolarHBondContact O-N 3.14Å; G47-Y51 WeakPolarHBondContact O-CB 3.48Å; G47-Y51 PolarHBondContact O-N 3.34Å; G47-L124 WeakPolarHBondContact CA-O 3.37Å |
| 48 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -51.2 | 176 | -69 | 166.7 | 0 | 0 | 0 | 110.7 | F35 L40 L44 L45 Y51 G52 F53 I89 L124 | F35-I48 HydrophobicContact CD1-CD1 4.27Å; F35-I48 HydrophobicContact CD1-CG2 4.26Å; F35-I48 HydrophobicContact CD2-CG2 3.78Å; F35-I48 HydrophobicContact CE1-CG2 4.33Å; F35-I48 HydrophobicContact CE2-CG2 3.86Å; F35-I48 HydrophobicContact CG-CG2 3.99Å; F35-I48 HydrophobicContact CZ-CG2 4.13Å; L40-I48 HydrophobicContact CD1-CD1 3.61Å; L44-I48 HydrophobicContact CD1-CD1 4.41Å; L44-I48 HydrophobicContact CD1-CG1 4.39Å; L44-I48 HydrophobicContact CG-CD1 4.09Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.36Å; L45-I48 WeakPolarHBondContact O-CB 3.47Å; L45-I48 PolarHBondContact O-N 2.7Å; I48-Y51 WeakPolarHBondContact O-CB 3.24Å; I48-Y51 PolarHBondContact O-N 3.3Å; I48-G52 PolarHBondContact O-N 3.48Å; I48-F53 HydrophobicContact CG2-CB 3.79Å; I48-F53 HydrophobicContact CG2-CD2 4.17Å; I48-F53 HydrophobicContact CG2-CG 4.47Å; I48-F53 PolarHBondContact O-N 2.75Å; I48-I89 HydrophobicContact CD1-CD1 3.75Å; I48-I89 HydrophobicContact CD1-CG1 3.88Å; I48-I89 HydrophobicContact CD1-CG2 4.07Å; I48-I89 HydrophobicContact CG1-CD1 3.94Å; I48-I89 HydrophobicContact CG1-CG1 4.01Å; I48-L124 HydrophobicContact CG1-CD2 4.13Å |
| 49 | Y | 96.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.9 | -39 | 179.9 | -69.2 | -55.9 | 0 | 0 | 0 | 112.5 | N34 D36 L45 Y51 G52 F53 | N34-Y49 PolarHBondContact OD1-OH 3.15Å; D36-Y49 VanDerWaalsContact CG-OH 3.26Å; D36-Y49 PolarHBondContact OD1-OH 2.65Å; D36-Y49 PolarHBondContact OD2-OH 3.24Å; L45-Y49 HydrophobicContact CB-CE2 4.49Å; L45-Y49 HydrophobicContact CD2-CE2 4.42Å; L45-Y49 WeakPolarHBondContact O-CD2 3.27Å; L45-Y49 PolarHBondContact O-N 3.03Å; Y49-Y51 VanDerWaalsContact C-N 3.26Å; Y49-Y51 PolarHBondContact O-N 2.85Å; Y49-G52 PolarHBondContact O-N 3.34Å; Y49-F53 WeakPolarHBondContact CD1-O 3.48Å |
| 50 | A | 95.8 | Very high | 94.4 | Very high | 64 Ų | 64 | 59 Ų | 59 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -28.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R46 G47 G52 Y127 | R46-A50 WeakPolarHBondContact O-CB 3.2Å; R46-A50 PolarHBondContact O-N 3.23Å; G47-A50 PolarHBondContact O-N 3.14Å; A50-G52 PolarHBondContact O-N 2.84Å; A50-Y127 HydrophobicContact CB-CE2 3.75Å |
| 51 | Y | 93.5 | Very high | 94.3 | Very high | 104 Ų | 104 | 59.9 Ų | 59.9 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.5 | -20.5 | 172.7 | -165.1 | -99.3 | 0 | 0 | 0 | 112.7 | G47 I48 Y49 F53 A123 L124 | G47-Y51 WeakPolarHBondContact O-CB 3.48Å; G47-Y51 PolarHBondContact O-N 3.34Å; I48-Y51 WeakPolarHBondContact O-CB 3.24Å; I48-Y51 PolarHBondContact O-N 3.3Å; Y49-Y51 VanDerWaalsContact C-N 3.26Å; Y49-Y51 PolarHBondContact O-N 2.85Å; Y51-F53 AromaticContact CD1-CD2 3.86Å; Y51-F53 HydrophobicContact CD1-CD2 3.86Å; Y51-F53 HydrophobicContact CD1-CE1 4.39Å; Y51-F53 AromaticContact CD1-CE2 3.43Å; Y51-F53 HydrophobicContact CD1-CE2 3.43Å; Y51-F53 VanDerWaalsContact CD1-CE2 3.43Å; Y51-F53 HydrophobicContact CD1-CG 4.5Å; Y51-F53 AromaticContact CD1-CZ 3.73Å; Y51-F53 HydrophobicContact CD1-CZ 3.73Å; Y51-F53 AromaticContact CE1-CE2 3.89Å; Y51-F53 HydrophobicContact CE1-CE2 3.89Å; Y51-F53 AromaticContact CE1-CZ 3.78Å; Y51-F53 HydrophobicContact CE1-CZ 3.78Å; Y51-F53 HydrophobicContact CG-CE2 4.35Å; Y51-A123 HydrophobicContact CD2-CB 3.55Å; Y51-A123 HydrophobicContact CE2-CB 3.66Å; Y51-L124 HydrophobicContact CD1-CD2 4.4Å; Y51-L124 HydrophobicContact CD2-CD2 4.48Å; Y51-L124 HydrophobicContact CG-CD2 3.98Å |
| 52 | G | 92.5 | Very high | 94.1 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.4 | 13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I48 Y49 A50 | I48-G52 PolarHBondContact O-N 3.48Å; Y49-G52 PolarHBondContact O-N 3.34Å; A50-G52 PolarHBondContact O-N 2.84Å |
| 53 | F | 91.8 | Very high | 94 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | trans | -78.7 | 125.8 | 170.4 | -67.8 | -51.2 | 0 | 0 | 0 | 110.3 | F35 I48 Y49 Y51 A85 L124 | F35-F53 HydrophobicContact CE2-CB 3.9Å; F35-F53 HydrophobicContact CZ-CB 4.31Å; I48-F53 HydrophobicContact CG2-CB 3.79Å; I48-F53 HydrophobicContact CG2-CD2 4.17Å; I48-F53 HydrophobicContact CG2-CG 4.47Å; I48-F53 PolarHBondContact O-N 2.75Å; Y49-F53 WeakPolarHBondContact CD1-O 3.48Å; Y51-F53 AromaticContact CD1-CD2 3.86Å; Y51-F53 HydrophobicContact CD1-CD2 3.86Å; Y51-F53 HydrophobicContact CD1-CE1 4.39Å; Y51-F53 AromaticContact CD1-CE2 3.43Å; Y51-F53 HydrophobicContact CD1-CE2 3.43Å; Y51-F53 VanDerWaalsContact CD1-CE2 3.43Å; Y51-F53 HydrophobicContact CD1-CG 4.5Å; Y51-F53 AromaticContact CD1-CZ 3.73Å; Y51-F53 HydrophobicContact CD1-CZ 3.73Å; Y51-F53 AromaticContact CE1-CE2 3.89Å; Y51-F53 HydrophobicContact CE1-CE2 3.89Å; Y51-F53 AromaticContact CE1-CZ 3.78Å; Y51-F53 HydrophobicContact CE1-CZ 3.78Å; Y51-F53 HydrophobicContact CG-CE2 4.35Å; F53-A85 HydrophobicContact CE2-CB 3.64Å; F53-A85 HydrophobicContact CZ-CB 3.6Å; F53-L124 HydrophobicContact CD2-CD2 4.15Å; F53-L124 HydrophobicContact CE2-CD2 4.04Å | ||
| 54 | E | 89.7 | Confident | 94 | Very high | 164 Ų | 164 | 46.7 Ų | 46.7 | 77% | 0.766 | 24% | 0.238 | S | C | * | . | trans | -101.5 | -43.3 | 177.3 | -63.6 | -178.3 | -179.7 | 0 | 0 | 112.3 | ||||
| 55 | K | 91.6 | Very high | 94 | Very high | 161 Ų | 161 | 47.1 Ų | 47.1 | 70% | 0.7 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -134.4 | 146.8 | 178.8 | -68.7 | -174.6 | 179 | -179.8 | 0 | 111 | F35 | F35-K55 VanDerWaalsContact CE2-C 3.48Š|
| 56 | P | 93.2 | Very high | 94 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | trans | -67.2 | 138 | 174.9 | 28.4 | -34.9 | 0 | 0 | 0 | 111.1 | D33 F35 M38 Q60 Q61 | D33-P56 VanDerWaalsContact C-CG 3.5Å; D33-P56 VanDerWaalsContact O-CD 3.26Å; D33-P56 WeakPolarHBondContact O-CD 3.4Å; D33-P56 WeakPolarHBondContact O-CG 3.46Å; F35-P56 HydrophobicContact CD1-CB 4.35Å; F35-P56 HydrophobicContact CE1-CB 3.86Å; F35-P56 HydrophobicContact CE2-CB 4.18Å; F35-P56 HydrophobicContact CZ-CB 3.78Å; M38-P56 HydrophobicContact CE-CB 3.79Å; M38-P56 HydrophobicContact CE-CG 3.9Å; P56-Q60 VanDerWaalsContact CA-OE1 3.28Å; P56-Q60 HydrophobicContact CB-CB 3.78Å; P56-Q61 HydrophobicContact CB-CG 3.87Å; P56-Q61 HydrophobicContact CG-CG 3.73Å; P56-Q61 PolarHBondContact O-NE2 3.4Å | ||
| 57 | S | 89.3 | Confident | 94 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 26% | 0.259 | 21% | 0.207 | S | C | . | . | trans | -68.9 | 164 | 169.7 | 71 | 0 | 0 | 0 | 0 | 111.7 | I59 Q60 Q61 T81 | S57-I59 PolarHBondContact O-N 2.75Å; S57-I59 WeakPolarHBondContact OG-CG2 3.34Å; S57-Q60 WeakPolarHBondContact O-CA 3.43Å; S57-Q60 WeakPolarHBondContact O-CB 3.44Å; S57-Q60 PolarHBondContact O-N 2.75Å; S57-Q60 WeakPolarHBondContact OG-CG 3.22Å; S57-Q61 VanDerWaalsContact O-CG 3.3Å; S57-Q61 WeakPolarHBondContact O-CG 3.15Å; S57-Q61 PolarHBondContact O-N 2.82Å; S57-T81 VanDerWaalsContact CB-O 3.29Å; S57-T81 WeakPolarHBondContact CB-O 3.43Å; S57-T81 PolarHBondContact OG-O 2.75Å | ||
| 58 | A | 87.8 | Confident | 94 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52.2 | -35.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P20 I24 R62 | P20-A58 HydrophobicContact CB-CB 4.39Å; I24-A58 HydrophobicContact CD1-CB 4.13Å; A58-R62 PolarHBondContact O-NH1 3.09Å; A58-R62 VanDerWaalsContact O-NH1 3.12Å |
| 59 | I | 89.4 | Confident | 93.9 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.8 | -38.5 | 175.2 | -166.7 | 61.4 | 0 | 0 | 0 | 111.9 | S57 R62 A63 A75 A77 T81 I235 | S57-I59 PolarHBondContact O-N 2.75Å; S57-I59 WeakPolarHBondContact OG-CG2 3.34Å; I59-R62 PolarHBondContact O-N 2.82Å; I59-A63 HydrophobicContact CD1-CB 4.39Å; I59-A63 HydrophobicContact CG1-CB 4.4Å; I59-A63 WeakPolarHBondContact O-CB 3.3Å; I59-A63 PolarHBondContact O-N 3.33Å; I59-A75 HydrophobicContact CD1-CB 4.14Å; I59-A77 HydrophobicContact CB-CB 4.26Å; I59-A77 HydrophobicContact CD1-CB 4.23Å; I59-A77 HydrophobicContact CG1-CB 4Å; I59-T81 WeakPolarHBondContact CG2-O 2.82Å; I59-I235 HydrophobicContact CD1-CB 4.35Å; I59-I235 HydrophobicContact CD1-CG2 3.64Å |
| 60 | Q | 93.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -41.5 | 178.8 | -71.8 | 168.7 | -10.9 | 0 | 0 | 111.4 | P56 S57 R62 I64 G82 T86 | P56-Q60 VanDerWaalsContact CA-OE1 3.28Å; P56-Q60 HydrophobicContact CB-CB 3.78Å; S57-Q60 WeakPolarHBondContact O-CA 3.43Å; S57-Q60 WeakPolarHBondContact O-CB 3.44Å; S57-Q60 PolarHBondContact O-N 2.75Å; S57-Q60 WeakPolarHBondContact OG-CG 3.22Å; Q60-R62 PolarHBondContact O-N 2.79Å; Q60-I64 HydrophobicContact CB-CD1 3.71Å; Q60-I64 HydrophobicContact CB-CG1 4.31Å; Q60-I64 HydrophobicContact CG-CD1 4.1Å; Q60-I64 WeakPolarHBondContact O-CB 3.41Å; Q60-I64 WeakPolarHBondContact O-CG1 3.19Å; Q60-I64 PolarHBondContact O-N 2.78Å; Q60-G82 PolarHBondContact NE2-O 3.39Å; Q60-T86 WeakPolarHBondContact CG-OG1 3.25Å |
| 61 | Q | 94.2 | Very high | 94 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56 | -31 | 176.6 | -67 | 168.9 | 2.6 | 0 | 0 | 113 | I31 V32 P56 S57 | I31-Q61 HydrophobicContact CG2-CB 3.97Å; V32-Q61 PolarHBondContact N-O 3.14Å; V32-Q61 VanDerWaalsContact N-O 3.09Å; V32-Q61 WeakPolarHBondContact O-CA 3.37Å; V32-Q61 WeakPolarHBondContact O-CB 3.37Å; V32-Q61 WeakPolarHBondContact O-CG 3.42Å; P56-Q61 HydrophobicContact CB-CG 3.87Å; P56-Q61 HydrophobicContact CG-CG 3.73Å; P56-Q61 PolarHBondContact O-NE2 3.4Å; S57-Q61 VanDerWaalsContact O-CG 3.3Å; S57-Q61 WeakPolarHBondContact O-CG 3.15Å; S57-Q61 PolarHBondContact O-N 2.82Å |
| 62 | R | 94.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.038 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -102.4 | -35.9 | -175.4 | -69.8 | 169.8 | 178.1 | 70.4 | 0.7 | 113.2 | P20 D21 I31 A58 I59 Q60 P66 I235 | P20-R62 PolarHBondContact O-NH2 3.29Å; D21-R62 IonicContact OD1-NH2 3.09Å; D21-R62 PolarHBondContact OD1-NH2 3.31Å; D21-R62 VanDerWaalsContact OD1-NH2 3.09Å; I31-R62 HydrophobicContact CG1-CG 4.1Å; A58-R62 PolarHBondContact O-NH1 3.09Å; A58-R62 VanDerWaalsContact O-NH1 3.12Å; I59-R62 PolarHBondContact O-N 2.82Å; Q60-R62 PolarHBondContact O-N 2.79Å; R62-P66 WeakPolarHBondContact O-CD 3.44Å; R62-P66 WeakPolarHBondContact O-CG 3.3Å; R62-I235 HydrophobicContact CB-CD1 3.97Å; R62-I235 HydrophobicContact CB-CG2 4.2Å; R62-I235 WeakPolarHBondContact O-CD1 3.39Å |
| 63 | A | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -96.8 | -23.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I59 P66 C67 T86 I235 | I59-A63 HydrophobicContact CD1-CB 4.39Å; I59-A63 HydrophobicContact CG1-CB 4.4Å; I59-A63 WeakPolarHBondContact O-CB 3.3Å; I59-A63 PolarHBondContact O-N 3.33Å; A63-P66 WeakPolarHBondContact O-CD 3.33Å; A63-P66 WeakPolarHBondContact O-CG 3.41Å; A63-C67 WeakPolarHBondContact O-CB 3.33Å; A63-C67 PolarHBondContact O-N 2.66Å; A63-C67 PolarHBondContact O-SG 3.06Å; A63-T86 HydrophobicContact CB-CG2 3.52Å; A63-I235 VanDerWaalsContact CA-CD1 3.46Å; A63-I235 HydrophobicContact CB-CD1 3.56Å |
| 64 | I | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -50.7 | -177 | -71.5 | 175.8 | 0 | 0 | 0 | 111 | F35 M38 L40 Q60 C67 I68 T86 I89 | F35-I64 HydrophobicContact CD1-CD1 4.43Å; F35-I64 HydrophobicContact CE1-CD1 3.91Å; M38-I64 HydrophobicContact CE-CD1 4.28Å; M38-I64 HydrophobicContact SD-CB 3.95Å; M38-I64 HydrophobicContact SD-CD1 3.85Å; M38-I64 HydrophobicContact SD-CG1 4.5Å; M38-I64 HydrophobicContact SD-CG2 3.68Å; L40-I64 HydrophobicContact CD2-CG2 4.49Å; Q60-I64 HydrophobicContact CB-CD1 3.71Å; Q60-I64 HydrophobicContact CB-CG1 4.31Å; Q60-I64 HydrophobicContact CG-CD1 4.1Å; Q60-I64 WeakPolarHBondContact O-CB 3.41Å; Q60-I64 WeakPolarHBondContact O-CG1 3.19Å; Q60-I64 PolarHBondContact O-N 2.78Å; I64-C67 WeakPolarHBondContact O-CB 3.19Å; I64-C67 PolarHBondContact O-N 3.37Å; I64-I68 HydrophobicContact CG2-CD1 3.36Å; I64-I68 HydrophobicContact CG2-CG1 4.27Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.22Å; I64-I68 PolarHBondContact O-N 2.85Å; I64-T86 HydrophobicContact CG1-CG2 3.98Å; I64-I89 HydrophobicContact CD1-CB 4.48Å; I64-I89 HydrophobicContact CD1-CD1 4Å; I64-I89 HydrophobicContact CD1-CG2 4.24Å; I64-I89 HydrophobicContact CG2-CG2 4.11Å |
| 65 | I | 97.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.051 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -51.8 | -177.8 | -58.9 | -58.7 | 0 | 0 | 0 | 113.8 | W28 V32 M38 C67 I68 K69 | W28-I65 HydrophobicContact CZ2-CB 4.45Å; W28-I65 HydrophobicContact CZ2-CG2 3.79Å; V32-I65 HydrophobicContact CG2-CD1 4.41Å; V32-I65 HydrophobicContact CG2-CG1 3.86Å; M38-I65 HydrophobicContact CB-CD1 3.67Å; M38-I65 HydrophobicContact CG-CD1 3.85Å; M38-I65 HydrophobicContact CG-CG1 4.48Å; I65-C67 PolarHBondContact O-N 3.12Å; I65-I68 PolarHBondContact O-N 3.47Å; I65-I68 VanDerWaalsContact O-N 3.15Å; I65-K69 HydrophobicContact CG2-CD 3.79Å; I65-K69 VanDerWaalsContact CG2-CE 3.42Å; I65-K69 HydrophobicContact CG2-CG 4.28Å; I65-K69 WeakPolarHBondContact O-CG 3.48Å; I65-K69 PolarHBondContact O-N 2.86Å |
| 66 | P | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -34.6 | 179.2 | 22.9 | -32.4 | 0 | 0 | 0 | 111.8 | W28 R62 A63 K69 G70 Y71 V73 I233 I235 | W28-P66 HydrophobicContact CD2-CB 3.95Å; W28-P66 HydrophobicContact CD2-CG 4.17Å; W28-P66 HydrophobicContact CE3-CB 4.08Å; W28-P66 HydrophobicContact CG-CB 4.45Å; W28-P66 HydrophobicContact CG-CG 4.24Å; W28-P66 HydrophobicContact CH2-CB 4.49Å; W28-P66 HydrophobicContact CZ2-CB 4.37Å; W28-P66 HydrophobicContact CZ3-CB 4.33Å; R62-P66 WeakPolarHBondContact O-CD 3.44Å; R62-P66 WeakPolarHBondContact O-CG 3.3Å; A63-P66 WeakPolarHBondContact O-CD 3.33Å; A63-P66 WeakPolarHBondContact O-CG 3.41Å; P66-K69 PolarHBondContact O-N 3.32Å; P66-G70 PolarHBondContact O-N 2.93Å; P66-Y71 HydrophobicContact CB-CD2 4.31Å; P66-Y71 WeakPolarHBondContact O-CD2 3.45Å; P66-Y71 PolarHBondContact O-N 3.12Å; P66-Y71 VanDerWaalsContact O-N 3.14Å; P66-V73 HydrophobicContact CB-CG2 4.11Å; P66-V73 HydrophobicContact CG-CG2 4.39Å; P66-I233 HydrophobicContact CB-CB 4.37Å; P66-I233 HydrophobicContact CB-CG1 4.07Å; P66-I233 HydrophobicContact CB-CG2 4.2Å; P66-I233 HydrophobicContact CG-CG2 4.29Å; P66-I235 HydrophobicContact CG-CD1 4.47Å |
| 67 | C | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | A63 I64 I65 K69 G70 V73 S90 Q94 Q209 | A63-C67 WeakPolarHBondContact O-CB 3.33Å; A63-C67 PolarHBondContact O-N 2.66Å; A63-C67 PolarHBondContact O-SG 3.06Å; I64-C67 WeakPolarHBondContact O-CB 3.19Å; I64-C67 PolarHBondContact O-N 3.37Å; I65-C67 PolarHBondContact O-N 3.12Å; C67-K69 VanDerWaalsContact C-N 3.29Å; C67-K69 PolarHBondContact O-N 3.17Å; C67-G70 PolarHBondContact O-N 3.25Å; C67-G70 VanDerWaalsContact O-N 3.11Å; C67-V73 VanDerWaalsContact SG-CG2 3.56Å; C67-S90 VanDerWaalsContact CB-CB 3.49Å; C67-S90 VanDerWaalsContact CB-OG 3.24Å; C67-S90 WeakPolarHBondContact CB-OG 3.19Å; C67-Q94 PolarHBondContact O-NE2 2.99Å; C67-Q209 PolarHBondContact O-NE2 2.96Å |
| 68 | I | 97 | Very high | 93.3 | Very high | 39 Ų | 39 | 21.1 Ų | 21.1 | 20% | 0.2 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64 | -34.9 | 179.2 | -67.4 | 163.8 | 0 | 0 | 0 | 112.1 | L40 I64 I65 G70 Q93 | L40-I68 HydrophobicContact CD2-CD1 3.39Å; I64-I68 HydrophobicContact CG2-CD1 3.36Å; I64-I68 HydrophobicContact CG2-CG1 4.27Å; I64-I68 VanDerWaalsContact O-CG1 3.3Å; I64-I68 WeakPolarHBondContact O-CG1 3.22Å; I64-I68 PolarHBondContact O-N 2.85Å; I65-I68 PolarHBondContact O-N 3.47Å; I65-I68 VanDerWaalsContact O-N 3.15Å; I68-G70 PolarHBondContact O-N 3.42Å; I68-Q93 HydrophobicContact CB-CG 4.42Å; I68-Q93 HydrophobicContact CD1-CB 4.17Å; I68-Q93 HydrophobicContact CD1-CG 3.85Å; I68-Q93 HydrophobicContact CG1-CB 4Å; I68-Q93 HydrophobicContact CG1-CG 3.81Å; I68-Q93 HydrophobicContact CG2-CG 3.71Å |
| 69 | K | 96.5 | Very high | 92.2 | Very high | 112 Ų | 112 | 20.4 Ų | 20.4 | 49% | 0.487 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.1 | 176.8 | -72.2 | 176.5 | 177.9 | 171.6 | 0 | 113.4 | W28 E30 I65 P66 C67 Y71 | W28-K69 HydrophobicContact CH2-CD 3.67Å; W28-K69 HydrophobicContact CZ2-CD 4.13Å; E30-K69 IonicContact OE1-NZ 3.94Å; E30-K69 IonicContact OE2-NZ 2.71Å; E30-K69 PolarHBondContact OE2-NZ 2.73Å; I65-K69 HydrophobicContact CG2-CD 3.79Å; I65-K69 VanDerWaalsContact CG2-CE 3.42Å; I65-K69 HydrophobicContact CG2-CG 4.28Å; I65-K69 WeakPolarHBondContact O-CG 3.48Å; I65-K69 PolarHBondContact O-N 2.86Å; P66-K69 PolarHBondContact O-N 3.32Å; C67-K69 VanDerWaalsContact C-N 3.29Å; C67-K69 PolarHBondContact O-N 3.17Å; K69-Y71 HydrophobicContact CB-CD2 3.7Å; K69-Y71 HydrophobicContact CB-CE2 3.62Å; K69-Y71 HydrophobicContact CD-CE2 4.18Å |
| 70 | G | 96.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 21.1 Ų | 21.1 | 37% | 0.371 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 10.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P66 C67 I68 | P66-G70 PolarHBondContact O-N 2.93Å; C67-G70 PolarHBondContact O-N 3.25Å; C67-G70 VanDerWaalsContact O-N 3.11Å; I68-G70 PolarHBondContact O-N 3.42Å |
| 71 | Y | 97.6 | Very high | 90.2 | Very high | 111 Ų | 111 | 23 Ų | 23 | 44% | 0.435 | 13% | 0.125 | S | C | . | . | trans | -72.9 | 147.8 | 175.8 | -65.2 | -79.9 | 0 | 0 | 0 | 111.3 | W28 P66 K69 V73 Q209 I233 | W28-Y71 HydrophobicContact CH2-CE2 4.1Å; W28-Y71 HydrophobicContact CZ3-CD2 4.17Å; W28-Y71 AromaticContact CZ3-CE2 3.81Å; W28-Y71 HydrophobicContact CZ3-CE2 3.81Å; P66-Y71 HydrophobicContact CB-CD2 4.31Å; P66-Y71 WeakPolarHBondContact O-CD2 3.45Å; P66-Y71 PolarHBondContact O-N 3.12Å; P66-Y71 VanDerWaalsContact O-N 3.14Å; K69-Y71 HydrophobicContact CB-CD2 3.7Å; K69-Y71 HydrophobicContact CB-CE2 3.62Å; K69-Y71 HydrophobicContact CD-CE2 4.18Å; Y71-V73 WeakPolarHBondContact O-CG2 3.38Å; Y71-Q209 WeakPolarHBondContact O-CG 3.5Å; Y71-Q209 PolarHBondContact O-NE2 3.24Å; Y71-I233 HydrophobicContact CG-CG1 4.15Å | ||
| 72 | D | 98 | Very high | 89.5 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | trans | -66.3 | 137.1 | 163.8 | -65.7 | -18.5 | 0 | 0 | 0 | 108.3 | Q209 V210 M229 R230 P232 I233 | D72-Q209 WeakPolarHBondContact OD1-CA 3.44Å; D72-V210 CarbonylContact C-O 3.46Å; D72-V210 WeakPolarHBondContact CA-O 3.36Å; D72-V210 PolarHBondContact OD1-N 3.44Å; D72-M229 HydrophobicContact CB-CB 4.08Å; D72-M229 HydrophobicContact CB-CG 4.31Å; D72-M229 WeakPolarHBondContact OD2-CA 3.4Å; D72-R230 IonicContact OD1-NH2 3.03Å; D72-R230 PolarHBondContact OD1-NH2 3.34Å; D72-R230 IonicContact OD2-CZ 3.73Å; D72-R230 PolarHBondContact OD2-N 2.99Å; D72-R230 IonicContact OD2-NE 3.24Å; D72-R230 PolarHBondContact OD2-NE 3.15Å; D72-R230 IonicContact OD2-NH2 3.29Å; D72-R230 PolarHBondContact OD2-NH2 3.45Å; D72-P232 HydrophobicContact CB-CB 4.08Å; D72-P232 CarbonylContact O-C 3.58Å; D72-P232 VanDerWaalsContact O-CA 3.27Å; D72-P232 WeakPolarHBondContact O-CA 3.46Å; D72-I233 PolarHBondContact O-N 3.27Å | ||
| 73 | V | 97.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.8 | -174.2 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | P66 C67 Y71 A75 V210 V211 L212 M229 I233 I235 | P66-V73 HydrophobicContact CB-CG2 4.11Å; P66-V73 HydrophobicContact CG-CG2 4.39Å; C67-V73 VanDerWaalsContact SG-CG2 3.56Å; Y71-V73 WeakPolarHBondContact O-CG2 3.38Å; V73-A75 HydrophobicContact CG1-CB 4.46Å; V73-V210 PolarHBondContact N-O 3.05Å; V73-V211 HydrophobicContact CB-CG1 4.34Å; V73-V211 CarbonylContact O-C 3.53Å; V73-V211 WeakPolarHBondContact O-CA 3.2Å; V73-L212 PolarHBondContact O-N 3.01Å; V73-M229 WeakPolarHBondContact O-CE 3.38Å; V73-I233 CarbonylContact C-O 3.53Å; V73-I233 WeakPolarHBondContact CA-O 3.44Å; V73-I233 HydrophobicContact CG2-CB 4.25Å; V73-I235 HydrophobicContact CG1-CD1 4.4Å |
| 74 | I | 96.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 110.5 | 168.1 | -58 | 167.6 | 0 | 0 | 0 | 106.9 | L212 M217 T225 M229 P232 I233 R234 I235 L236 | I74-L212 WeakPolarHBondContact CA-O 3.18Å; I74-L212 HydrophobicContact CG2-CD2 4.35Å; I74-M217 HydrophobicContact CG2-CE 3.55Å; I74-M217 HydrophobicContact CG2-SD 4.03Å; I74-T225 HydrophobicContact CD1-CG2 3.47Å; I74-T225 VanDerWaalsContact CD1-CG2 3.47Å; I74-T225 HydrophobicContact CG1-CG2 3.81Å; I74-M229 HydrophobicContact CD1-SD 3.84Å; I74-M229 HydrophobicContact CG1-CE 4.01Å; I74-M229 HydrophobicContact CG1-SD 3.41Å; I74-M229 WeakPolarHBondContact CG1-SD 3.37Å; I74-P232 HydrophobicContact CD1-CB 3.93Å; I74-P232 HydrophobicContact CD1-CG 3.6Å; I74-P232 HydrophobicContact CG1-CB 4Å; I74-P232 HydrophobicContact CG1-CG 4.23Å; I74-I233 PolarHBondContact N-O 3.28Å; I74-R234 HydrophobicContact CD1-CG 4.15Å; I74-I235 PolarHBondContact O-N 3.32Å; I74-L236 HydrophobicContact CG2-CD2 4.07Å |
| 75 | A | 93.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | I59 V73 L212 L213 S214 | I59-A75 HydrophobicContact CD1-CB 4.14Å; V73-A75 HydrophobicContact CG1-CB 4.46Å; A75-L212 PolarHBondContact N-O 3.3Å; A75-L213 HydrophobicContact CB-CD2 4.27Å; A75-L213 HydrophobicContact CB-CG 4.3Å; A75-L213 WeakPolarHBondContact O-CA 3.2Å; A75-S214 PolarHBondContact O-N 2.99Å; A75-S214 VanDerWaalsContact O-N 3.11Å |
| 76 | Q | 89.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123 | 167.7 | -166.4 | -177.8 | -5.2 | 0 | 0 | 108.9 | S214 A215 M217 I235 L236 V237 | Q76-S214 VanDerWaalsContact CA-O 3.27Å; Q76-S214 WeakPolarHBondContact CA-O 2.94Å; Q76-A215 WeakPolarHBondContact CG-O 3.13Å; Q76-A215 PolarHBondContact NE2-O 2.98Å; Q76-M217 HydrophobicContact CB-CE 3.77Å; Q76-M217 HydrophobicContact CB-CG 4.34Å; Q76-M217 HydrophobicContact CG-CE 4.19Å; Q76-M217 HydrophobicContact CG-CG 4.16Å; Q76-I235 PolarHBondContact N-O 3.11Å; Q76-L236 HydrophobicContact CB-CD2 3.94Å; Q76-V237 WeakPolarHBondContact O-CG2 3.03Å |
| 77 | A | 79.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | trans | -155.5 | 154.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I59 T81 K83 S214 A215 | I59-A77 HydrophobicContact CB-CB 4.26Å; I59-A77 HydrophobicContact CD1-CB 4.23Å; I59-A77 HydrophobicContact CG1-CB 4Å; A77-T81 VanDerWaalsContact CB-OG1 3.32Å; A77-T81 WeakPolarHBondContact CB-OG1 3.41Å; A77-K83 HydrophobicContact CB-CD 3.89Å; A77-K83 HydrophobicContact CB-CG 3.81Å; A77-K83 WeakPolarHBondContact O-CD 3.18Å; A77-K83 VanDerWaalsContact O-CE 3.26Å; A77-K83 WeakPolarHBondContact O-CE 3.45Å; A77-K83 PolarHBondContact O-NZ 2.9Å; A77-S214 PolarHBondContact N-O 3.34Å; A77-A215 VanDerWaalsContact O-CA 3.31Å; A77-A215 WeakPolarHBondContact O-CA 3.33Å | ||
| 78 | Q | 71.5 | Confident | 88.8 | Confident | 28 Ų | 28 | 23.7 Ų | 23.7 | 13% | 0.131 | 14% | 0.135 | C | C | . | . | trans | -63 | 166.2 | 177.3 | -63.9 | 179.6 | -2.6 | 0 | 0 | 112.1 | T81 K83 E241 L242 T243 L244 | Q78-T81 HydrophobicContact CB-CG2 3.91Å; Q78-T81 PolarHBondContact O-OG1 2.7Å; Q78-K83 VanDerWaalsContact O-CE 3.25Å; Q78-K83 WeakPolarHBondContact O-CE 3.49Å; Q78-E241 PolarHBondContact NE2-O 3.17Å; Q78-L242 PolarHBondContact NE2-O 2.86Å; Q78-L242 VanDerWaalsContact NE2-O 3.1Å; Q78-T243 PolarHBondContact NE2-O 2.73Å; Q78-L244 VanDerWaalsContact OE1-CD2 3.29Å | ||
| 79 | S | 65.9 | Low | 88.8 | Confident | 15 Ų | 15 | 21.9 Ų | 21.9 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 139.1 | 172.9 | -80.2 | 0 | 0 | 0 | 0 | 111.1 | T81 | S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 2.89Å |
| 80 | G | 67.3 | Low | 88.9 | Confident | 24 Ų | 24 | 16.5 Ų | 16.5 | 25% | 0.247 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 0.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | G82 | G80-G82 VanDerWaalsContact C-N 3.28Å; G80-G82 PolarHBondContact O-N 3.33Å |
| 81 | T | 71.9 | Confident | 89 | Confident | 44 Ų | 44 | 14.9 Ų | 14.9 | 27% | 0.27 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -83.8 | 7.4 | -179 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | S57 I59 A77 Q78 S79 | S57-T81 VanDerWaalsContact CB-O 3.29Å; S57-T81 WeakPolarHBondContact CB-O 3.43Å; S57-T81 PolarHBondContact OG-O 2.75Å; I59-T81 WeakPolarHBondContact CG2-O 2.82Å; A77-T81 VanDerWaalsContact CB-OG1 3.32Å; A77-T81 WeakPolarHBondContact CB-OG1 3.41Å; Q78-T81 HydrophobicContact CB-CG2 3.91Å; Q78-T81 PolarHBondContact O-OG1 2.7Å; S79-T81 VanDerWaalsContact C-N 3.35Å; S79-T81 PolarHBondContact O-N 2.89Å |
| 82 | G | 81.4 | Confident | 89.1 | Confident | 17 Ų | 17 | 9.6 Ų | 9.6 | 18% | 0.175 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 93.7 | 13.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q60 G80 T84 A85 T86 | Q60-G82 PolarHBondContact NE2-O 3.39Å; G80-G82 VanDerWaalsContact C-N 3.28Å; G80-G82 PolarHBondContact O-N 3.33Å; G82-T84 PolarHBondContact O-N 2.9Å; G82-A85 PolarHBondContact O-N 3.02Å; G82-T86 PolarHBondContact O-N 3.35Å; G82-T86 PolarHBondContact O-OG1 2.95Å |
| 83 | K | 88.2 | Confident | 89.1 | Confident | 11 Ų | 11 | 10.7 Ų | 10.7 | 5% | 0.048 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -50.1 | -49.8 | 174.3 | -73.2 | -172.5 | -67.2 | -168.3 | 0 | 113.6 | A77 Q78 A85 T86 F87 L213 | A77-K83 HydrophobicContact CB-CD 3.89Å; A77-K83 HydrophobicContact CB-CG 3.81Å; A77-K83 WeakPolarHBondContact O-CD 3.18Å; A77-K83 VanDerWaalsContact O-CE 3.26Å; A77-K83 WeakPolarHBondContact O-CE 3.45Å; A77-K83 PolarHBondContact O-NZ 2.9Å; Q78-K83 VanDerWaalsContact O-CE 3.25Å; Q78-K83 WeakPolarHBondContact O-CE 3.49Å; K83-A85 PolarHBondContact O-N 3.45Å; K83-T86 VanDerWaalsContact O-CB 3.24Å; K83-T86 WeakPolarHBondContact O-CB 3.47Å; K83-T86 PolarHBondContact O-N 3.26Å; K83-T86 VanDerWaalsContact O-N 3.13Å; K83-F87 VanDerWaalsContact O-CD1 3.23Å; K83-F87 WeakPolarHBondContact O-CD1 3.45Å; K83-F87 PolarHBondContact O-N 3.18Å; K83-L213 HydrophobicContact CB-CD2 3.85Å; K83-L213 HydrophobicContact CD-CB 4.42Å; K83-L213 HydrophobicContact CG-CD2 4.21Å |
| 84 | T | 92.1 | Very high | 89.1 | Confident | 29 Ų | 29 | 13.8 Ų | 13.8 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | -178.9 | -52.9 | 0 | 0 | 0 | 0 | 112.1 | G82 T86 F87 A88 I117 V120 | G82-T84 PolarHBondContact O-N 2.9Å; T84-T86 VanDerWaalsContact C-N 3.32Å; T84-T86 PolarHBondContact O-N 3.2Å; T84-F87 VanDerWaalsContact CA-CE1 3.44Å; T84-F87 HydrophobicContact CG2-CE1 4.26Å; T84-F87 HydrophobicContact CG2-CZ 3.88Å; T84-A88 WeakPolarHBondContact O-CB 3.27Å; T84-A88 PolarHBondContact O-N 3.02Å; T84-I117 HydrophobicContact CG2-CB 4.42Å; T84-I117 HydrophobicContact CG2-CG1 3.92Å; T84-V120 HydrophobicContact CG2-CB 4.18Å; T84-V120 HydrophobicContact CG2-CG1 4.15Å; T84-V120 HydrophobicContact CG2-CG2 4.17Å |
| 85 | A | 93.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 13.9 Ų | 13.9 | 3% | 0.033 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.3 | -35.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F53 G82 K83 F87 A88 I89 | F53-A85 HydrophobicContact CE2-CB 3.64Å; F53-A85 HydrophobicContact CZ-CB 3.6Å; G82-A85 PolarHBondContact O-N 3.02Å; K83-A85 PolarHBondContact O-N 3.45Å; A85-F87 PolarHBondContact O-N 2.76Å; A85-A88 PolarHBondContact O-N 3.01Å; A85-I89 WeakPolarHBondContact O-CB 3.38Å; A85-I89 WeakPolarHBondContact O-CD1 3.44Å; A85-I89 WeakPolarHBondContact O-CG1 3.5Å; A85-I89 PolarHBondContact O-N 3.35Å |
| 86 | T | 95.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -55.1 | -55.8 | 178.3 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | Q60 A63 I64 G82 K83 T84 S90 | Q60-T86 WeakPolarHBondContact CG-OG1 3.25Å; A63-T86 HydrophobicContact CB-CG2 3.52Å; I64-T86 HydrophobicContact CG1-CG2 3.98Å; G82-T86 PolarHBondContact O-N 3.35Å; G82-T86 PolarHBondContact O-OG1 2.95Å; K83-T86 VanDerWaalsContact O-CB 3.24Å; K83-T86 WeakPolarHBondContact O-CB 3.47Å; K83-T86 PolarHBondContact O-N 3.26Å; K83-T86 VanDerWaalsContact O-N 3.13Å; T84-T86 VanDerWaalsContact C-N 3.32Å; T84-T86 PolarHBondContact O-N 3.2Å; T86-S90 WeakPolarHBondContact O-CB 3.2Å; T86-S90 PolarHBondContact O-N 2.94Å; T86-S90 PolarHBondContact O-OG 2.8Å |
| 87 | F | 96.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -75.6 | -30.9 | -179.9 | 70.2 | -107.9 | 0 | 0 | 0 | 112.2 | K83 T84 A85 S90 I91 V106 I117 V181 D183 L213 | K83-F87 VanDerWaalsContact O-CD1 3.23Å; K83-F87 WeakPolarHBondContact O-CD1 3.45Å; K83-F87 PolarHBondContact O-N 3.18Å; T84-F87 VanDerWaalsContact CA-CE1 3.44Å; T84-F87 HydrophobicContact CG2-CE1 4.26Å; T84-F87 HydrophobicContact CG2-CZ 3.88Å; A85-F87 PolarHBondContact O-N 2.76Å; F87-S90 PolarHBondContact O-N 3.33Å; F87-I91 HydrophobicContact CD2-CD1 3.89Å; F87-I91 WeakPolarHBondContact O-CB 3.46Å; F87-I91 VanDerWaalsContact O-CG1 3.23Å; F87-I91 WeakPolarHBondContact O-CG1 3.11Å; F87-I91 PolarHBondContact O-N 2.89Å; F87-V106 HydrophobicContact CE2-CG1 3.94Å; F87-V106 HydrophobicContact CE2-CG2 4.34Å; F87-V106 HydrophobicContact CZ-CG1 4.17Å; F87-I117 HydrophobicContact CE2-CG2 3.66Å; F87-I117 HydrophobicContact CZ-CD1 4.05Å; F87-I117 HydrophobicContact CZ-CG1 4.04Å; F87-I117 HydrophobicContact CZ-CG2 3.77Å; F87-V181 HydrophobicContact CB-CG1 4.04Å; F87-V181 HydrophobicContact CD1-CG1 4.13Å; F87-V181 HydrophobicContact CD2-CG1 4.04Å; F87-V181 HydrophobicContact CG-CG1 3.84Å; F87-D183 HydrophobicContact CE1-CB 3.99Å; F87-D183 HydrophobicContact CZ-CB 4.26Å; F87-L213 HydrophobicContact CB-CD1 4.07Å; F87-L213 HydrophobicContact CD1-CD1 3.49Å; F87-L213 VanDerWaalsContact CD1-CD1 3.49Å; F87-L213 HydrophobicContact CD1-CD2 3.86Å; F87-L213 HydrophobicContact CD1-CG 4.3Å; F87-L213 HydrophobicContact CE1-CD1 4.21Å; F87-L213 HydrophobicContact CG-CD1 4.1Å |
| 88 | A | 97.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T84 A85 S90 I91 L92 V120 I121 L124 | T84-A88 WeakPolarHBondContact O-CB 3.27Å; T84-A88 PolarHBondContact O-N 3.02Å; A85-A88 PolarHBondContact O-N 3.01Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 3.41Å; A88-I91 PolarHBondContact O-N 2.81Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 VanDerWaalsContact O-CG 3.24Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.49Å; A88-V120 HydrophobicContact CB-CG1 4.28Å; A88-I121 HydrophobicContact CB-CG1 3.72Å; A88-L124 HydrophobicContact CB-CD1 3.87Å |
| 89 | I | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 174.2 | -68.5 | 168.1 | 0 | 0 | 0 | 109.9 | F35 L40 L44 I48 I64 A85 I91 L92 Q93 L124 | F35-I89 HydrophobicContact CE1-CD1 3.85Å; L40-I89 HydrophobicContact CD1-CG2 3.95Å; L40-I89 HydrophobicContact CD2-CG2 4.14Å; L44-I89 HydrophobicContact CD2-CG2 4.11Å; I48-I89 HydrophobicContact CD1-CD1 3.75Å; I48-I89 HydrophobicContact CD1-CG1 3.88Å; I48-I89 HydrophobicContact CD1-CG2 4.07Å; I48-I89 HydrophobicContact CG1-CD1 3.94Å; I48-I89 HydrophobicContact CG1-CG1 4.01Å; I64-I89 HydrophobicContact CD1-CB 4.48Å; I64-I89 HydrophobicContact CD1-CD1 4Å; I64-I89 HydrophobicContact CD1-CG2 4.24Å; I64-I89 HydrophobicContact CG2-CG2 4.11Å; A85-I89 WeakPolarHBondContact O-CB 3.38Å; A85-I89 WeakPolarHBondContact O-CD1 3.44Å; A85-I89 WeakPolarHBondContact O-CG1 3.5Å; A85-I89 PolarHBondContact O-N 3.35Å; I89-I91 PolarHBondContact O-N 2.79Å; I89-L92 PolarHBondContact O-N 3.25Å; I89-Q93 WeakPolarHBondContact O-CB 3.27Å; I89-Q93 PolarHBondContact O-N 2.78Å; I89-L124 HydrophobicContact CG1-CD1 4.11Å |
| 90 | S | 98 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | -179 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | C67 T86 F87 A88 Q94 | C67-S90 VanDerWaalsContact CB-CB 3.49Å; C67-S90 VanDerWaalsContact CB-OG 3.24Å; C67-S90 WeakPolarHBondContact CB-OG 3.19Å; T86-S90 WeakPolarHBondContact O-CB 3.2Å; T86-S90 PolarHBondContact O-N 2.94Å; T86-S90 PolarHBondContact O-OG 2.8Å; F87-S90 PolarHBondContact O-N 3.33Å; A88-S90 VanDerWaalsContact C-N 3.32Å; A88-S90 PolarHBondContact O-N 3.41Å; S90-Q94 PolarHBondContact O-N 3Å; S90-Q94 PolarHBondContact O-NE2 2.82Å |
| 91 | I | 98.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -55.6 | 173.7 | -71.1 | 165.9 | 0 | 0 | 0 | 109.5 | F87 A88 I89 Q93 Q94 L95 A104 V106 I155 M179 V181 | F87-I91 HydrophobicContact CD2-CD1 3.89Å; F87-I91 WeakPolarHBondContact O-CB 3.46Å; F87-I91 VanDerWaalsContact O-CG1 3.23Å; F87-I91 WeakPolarHBondContact O-CG1 3.11Å; F87-I91 PolarHBondContact O-N 2.89Å; A88-I91 PolarHBondContact O-N 2.81Å; I89-I91 PolarHBondContact O-N 2.79Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 2.91Å; I91-Q94 PolarHBondContact O-N 3.04Å; I91-L95 HydrophobicContact CG2-CD2 4.32Å; I91-L95 HydrophobicContact CG2-CG 4.33Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 2.87Å; I91-L95 VanDerWaalsContact O-N 3.12Å; I91-A104 HydrophobicContact CB-CB 4.44Å; I91-A104 HydrophobicContact CD1-CB 4.31Å; I91-A104 HydrophobicContact CG1-CB 4.1Å; I91-A104 HydrophobicContact CG2-CB 3.51Å; I91-V106 HydrophobicContact CD1-CG2 3.51Å; I91-I155 HydrophobicContact CG2-CD1 3.47Å; I91-I155 VanDerWaalsContact CG2-CD1 3.47Å; I91-I155 HydrophobicContact CG2-CG1 3.72Å; I91-M179 HydrophobicContact CB-SD 4.33Å; I91-M179 HydrophobicContact CD1-SD 4.4Å; I91-M179 HydrophobicContact CG1-SD 3.33Å; I91-M179 WeakPolarHBondContact CG1-SD 3.27Å; I91-V181 HydrophobicContact CD1-CG2 3.98Å; I91-V181 HydrophobicContact CG1-CG2 4.31Å |
| 92 | L | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | -175.4 | -72.9 | 168.7 | 0 | 0 | 0 | 111.4 | L44 A88 I89 Q94 L95 I121 L124 M128 A130 I155 | L44-L92 HydrophobicContact CD1-CB 3.74Å; L44-L92 HydrophobicContact CD1-CD1 3.67Å; L44-L92 HydrophobicContact CD1-CG 4.35Å; L44-L92 HydrophobicContact CD2-CB 4.04Å; A88-L92 WeakPolarHBondContact O-CB 3.41Å; A88-L92 VanDerWaalsContact O-CG 3.24Å; A88-L92 WeakPolarHBondContact O-CG 3.35Å; A88-L92 PolarHBondContact O-N 3.49Å; I89-L92 PolarHBondContact O-N 3.25Å; L92-Q94 VanDerWaalsContact C-N 3.25Å; L92-Q94 PolarHBondContact O-N 3.14Å; L92-L95 HydrophobicContact CD2-CD1 4.11Å; L92-L95 PolarHBondContact O-N 3.34Å; L92-I121 HydrophobicContact CD2-CG2 4.36Å; L92-L124 HydrophobicContact CD1-CB 3.57Å; L92-M128 HydrophobicContact CB-CE 4.47Å; L92-M128 HydrophobicContact CB-SD 3.92Å; L92-M128 HydrophobicContact CD2-SD 4.18Å; L92-M128 WeakPolarHBondContact O-CE 3.4Å; L92-A130 HydrophobicContact CD2-CB 3.6Å; L92-I155 HydrophobicContact CD2-CD1 4.17Å |
| 93 | Q | 98.3 | Very high | 95.7 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 13% | 0.131 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -37.1 | 177.2 | -179.7 | 61 | 9.4 | 0 | 0 | 112.2 | N39 L40 K41 L44 I68 I89 I91 | N39-Q93 PolarHBondContact O-NE2 3.31Å; L40-Q93 HydrophobicContact CD2-CB 4.3Å; L40-Q93 HydrophobicContact CD2-CG 4.03Å; K41-Q93 WeakPolarHBondContact CE-O 3.13Å; K41-Q93 PolarHBondContact NZ-O 2.72Å; L44-Q93 HydrophobicContact CD2-CB 3.79Å; I68-Q93 HydrophobicContact CB-CG 4.42Å; I68-Q93 HydrophobicContact CD1-CB 4.17Å; I68-Q93 HydrophobicContact CD1-CG 3.85Å; I68-Q93 HydrophobicContact CG1-CB 4Å; I68-Q93 HydrophobicContact CG1-CG 3.81Å; I68-Q93 HydrophobicContact CG2-CG 3.71Å; I89-Q93 WeakPolarHBondContact O-CB 3.27Å; I89-Q93 PolarHBondContact O-N 2.78Å; I91-Q93 VanDerWaalsContact C-N 3.26Å; I91-Q93 PolarHBondContact O-N 2.91Å |
| 94 | Q | 97.3 | Very high | 96.2 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -87.9 | -8.8 | -178.2 | -70.8 | -175.3 | 72.6 | 0 | 0 | 114.5 | C67 S90 I91 L92 | C67-Q94 PolarHBondContact O-NE2 2.99Å; S90-Q94 PolarHBondContact O-N 3Å; S90-Q94 PolarHBondContact O-NE2 2.82Å; I91-Q94 PolarHBondContact O-N 3.04Å; L92-Q94 VanDerWaalsContact C-N 3.25Å; L92-Q94 PolarHBondContact O-N 3.14Å |
| 95 | L | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | trans | -66.3 | 138 | 179.2 | -73.1 | -171.9 | 0 | 0 | 0 | 113.1 | K41 I91 L92 I97 Q103 A130 H154 I155 | K41-L95 PolarHBondContact NZ-O 3.22Å; I91-L95 HydrophobicContact CG2-CD2 4.32Å; I91-L95 HydrophobicContact CG2-CG 4.33Å; I91-L95 WeakPolarHBondContact O-CG 3.46Å; I91-L95 PolarHBondContact O-N 2.87Å; I91-L95 VanDerWaalsContact O-N 3.12Å; L92-L95 HydrophobicContact CD2-CD1 4.11Å; L92-L95 PolarHBondContact O-N 3.34Å; L95-I97 HydrophobicContact CB-CD1 4.1Å; L95-I97 HydrophobicContact CD1-CD1 4.12Å; L95-Q103 HydrophobicContact CD2-CB 3.71Å; L95-A130 HydrophobicContact CD1-CB 4.07Å; L95-H154 HydrophobicContact CD1-CB 3.83Å; L95-H154 HydrophobicContact CD2-CB 4.11Å; L95-I155 HydrophobicContact CD1-CD1 3.84Å; L95-I155 HydrophobicContact CD1-CG1 3.99Å; L95-I155 HydrophobicContact CD2-CG1 4.22Å | ||
| 96 | E | 96.4 | Very high | 96.7 | Very high | 101 Ų | 101 | 30.3 Ų | 30.3 | 47% | 0.472 | 14% | 0.141 | S | C | . | . | trans | -94.2 | 96 | 162.8 | -68.1 | 168.9 | -140.1 | 0 | 0 | 108.6 | E98 F99 Q103 K178 | E96-E98 VanDerWaalsContact C-N 3.28Å; E96-E98 PolarHBondContact O-N 2.78Å; E96-F99 HydrophobicContact CB-CB 4.12Å; E96-F99 PolarHBondContact O-N 2.8Å; E96-Q103 PolarHBondContact O-NE2 3.28Å; E96-K178 IonicContact OE1-NZ 2.66Å; E96-K178 PolarHBondContact OE1-NZ 2.88Å | ||
| 97 | I | 95.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 16% | 0.164 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.4 | -171 | -65.2 | -59 | 0 | 0 | 0 | 113.9 | L95 F99 K100 M128 A130 H154 | L95-I97 HydrophobicContact CB-CD1 4.1Å; L95-I97 HydrophobicContact CD1-CD1 4.12Å; I97-F99 PolarHBondContact O-N 3.3Å; I97-K100 PolarHBondContact O-NZ 3.4Å; I97-M128 HydrophobicContact CD1-CB 4.06Å; I97-M128 HydrophobicContact CD1-CE 4.2Å; I97-M128 HydrophobicContact CG1-CB 4.34Å; I97-M128 HydrophobicContact CG1-CE 4.28Å; I97-M128 WeakPolarHBondContact CG2-O 3.36Å; I97-A130 HydrophobicContact CD1-CB 3.99Å; I97-H154 PolarHBondContact O-NE2 3.02Å; I97-H154 VanDerWaalsContact O-NE2 3.17Å |
| 98 | E | 94.5 | Very high | 96.7 | Very high | 172 Ų | 172 | 30.2 Ų | 30.2 | 80% | 0.804 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.4 | 178.3 | -59.7 | -52.9 | 140.5 | 0 | 0 | 112.1 | E96 K100 | E96-E98 VanDerWaalsContact C-N 3.28Å; E96-E98 PolarHBondContact O-N 2.78Å; E98-K100 PolarHBondContact O-N 2.83Å |
| 99 | F | 94.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 30.4 Ų | 30.4 | 29% | 0.285 | 14% | 0.142 | S | C | . | . | trans | -94.5 | 96 | -178 | -166 | -127.6 | 0 | 0 | 0 | 111.2 | E96 I97 E101 Q103 H154 W176 | E96-F99 HydrophobicContact CB-CB 4.12Å; E96-F99 PolarHBondContact O-N 2.8Å; I97-F99 PolarHBondContact O-N 3.3Å; F99-E101 HydrophobicContact CD1-CB 3.94Å; F99-E101 HydrophobicContact CD1-CG 4.25Å; F99-E101 HydrophobicContact CD2-CG 4.47Å; F99-E101 HydrophobicContact CE1-CB 3.7Å; F99-E101 HydrophobicContact CE1-CG 3.74Å; F99-E101 HydrophobicContact CE2-CG 3.97Å; F99-E101 HydrophobicContact CZ-CB 4.1Å; F99-E101 HydrophobicContact CZ-CG 3.59Å; F99-E101 PolarHBondContact O-N 3.49Å; F99-Q103 PolarHBondContact O-NE2 3.47Å; F99-H154 PolarHBondContact O-CD2 3.17Å; F99-W176 HydrophobicContact CE1-CB 3.97Å; F99-W176 AromaticContact CE1-CD1 3.92Å; F99-W176 AromaticContact CE1-CD2 3.53Å; F99-W176 HydrophobicContact CE1-CD2 3.53Å; F99-W176 AromaticContact CE1-CE2 3.88Å; F99-W176 AromaticContact CE1-CE3 3.9Å; F99-W176 HydrophobicContact CE1-CE3 3.9Å; F99-W176 AromaticContact CE1-CG 3.56Å; F99-W176 HydrophobicContact CE1-CG 3.56Å; F99-W176 AromaticContact CZ-CD1 3.93Å; F99-W176 AromaticContact CZ-CD2 3.66Å; F99-W176 HydrophobicContact CZ-CD2 3.66Å; F99-W176 AromaticContact CZ-CE2 3.47Å; F99-W176 VanDerWaalsContact CZ-CE2 3.47Å; F99-W176 HydrophobicContact CZ-CE3 4.17Å; F99-W176 AromaticContact CZ-CG 3.94Å; F99-W176 HydrophobicContact CZ-CG 3.94Å; F99-W176 HydrophobicContact CZ-CH2 4.33Å; F99-W176 AromaticContact CZ-CZ2 3.83Å; F99-W176 HydrophobicContact CZ-CZ2 3.83Å; F99-W176 HydrophobicContact CZ-CZ3 4.49Å; F99-W176 AromaticContact CZ-NE1 3.62Å | ||
| 100 | K | 91.3 | Very high | 96 | Very high | 91 Ų | 91 | 30.5 Ų | 30.5 | 40% | 0.396 | 14% | 0.142 | S | C | . | . | trans | -74 | 60.9 | -176.9 | -55.9 | -52 | -176.7 | -163.1 | 0 | 113.1 | I97 E98 H154 | I97-K100 PolarHBondContact O-NZ 3.4Å; E98-K100 PolarHBondContact O-N 2.83Å; K100-H154 WeakPolarHBondContact CD-NE2 3.32Å; K100-H154 PolarHBondContact NZ-NE2 3.1Å | ||
| 101 | E | 94.5 | Very high | 95.6 | Very high | 60 Ų | 60 | 33.6 Ų | 33.6 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -138 | 155.2 | 177.7 | -70.6 | -75.7 | -167.3 | 0 | 0 | 109.1 | F99 Q103 H154 W176 | F99-E101 HydrophobicContact CD1-CB 3.94Å; F99-E101 HydrophobicContact CD1-CG 4.25Å; F99-E101 HydrophobicContact CD2-CG 4.47Å; F99-E101 HydrophobicContact CE1-CB 3.7Å; F99-E101 HydrophobicContact CE1-CG 3.74Å; F99-E101 HydrophobicContact CE2-CG 3.97Å; F99-E101 HydrophobicContact CZ-CB 4.1Å; F99-E101 HydrophobicContact CZ-CG 3.59Å; F99-E101 PolarHBondContact O-N 3.49Å; E101-Q103 WeakPolarHBondContact O-CG 3.43Å; E101-Q103 PolarHBondContact O-N 3.45Å; E101-H154 WeakPolarHBondContact O-CA 3.41Å; E101-W176 HydrophobicContact CB-CB 4.04Å; E101-W176 HydrophobicContact CB-CG 4.07Å; E101-W176 VanDerWaalsContact CG-CD1 3.48Å; E101-W176 HydrophobicContact CG-CG 4.26Å |
| 102 | T | 96.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | trans | -70.8 | 119.8 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | P153 V156 L172 W176 I177 | T102-P153 WeakPolarHBondContact CA-O 3.39Å; T102-P153 WeakPolarHBondContact CB-O 3.38Å; T102-P153 PolarHBondContact N-O 2.84Å; T102-P153 PolarHBondContact OG1-O 2.8Å; T102-V156 HydrophobicContact CG2-CB 4.18Å; T102-V156 HydrophobicContact CG2-CG2 3.75Å; T102-L172 HydrophobicContact CG2-CD1 4.14Å; T102-W176 CarbonylContact O-C 3.38Å; T102-I177 HydrophobicContact CG2-CD1 4.27Å; T102-I177 HydrophobicContact CG2-CG1 4.13Å; T102-I177 WeakPolarHBondContact O-CG1 3.34Å; T102-I177 PolarHBondContact O-N 2.96Å | ||
| 103 | Q | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | trans | -112.1 | -22 | -175.2 | -68.3 | 172.8 | 57.2 | 0 | 0 | 113 | L95 E96 F99 E101 H154 W176 I177 K178 M179 | L95-Q103 HydrophobicContact CD2-CB 3.71Å; E96-Q103 PolarHBondContact O-NE2 3.28Å; F99-Q103 PolarHBondContact O-NE2 3.47Å; E101-Q103 WeakPolarHBondContact O-CG 3.43Å; E101-Q103 PolarHBondContact O-N 3.45Å; Q103-H154 PolarHBondContact N-O 3.27Å; Q103-W176 WeakPolarHBondContact CA-O 3.47Å; Q103-I177 CarbonylContact O-C 3.58Å; Q103-I177 WeakPolarHBondContact O-CA 3.33Å; Q103-K178 PolarHBondContact O-N 3.45Å; Q103-M179 PolarHBondContact O-N 3.32Å | ||
| 104 | A | 98.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | I91 H154 I155 V156 M179 | I91-A104 HydrophobicContact CB-CB 4.44Å; I91-A104 HydrophobicContact CD1-CB 4.31Å; I91-A104 HydrophobicContact CG1-CB 4.1Å; I91-A104 HydrophobicContact CG2-CB 3.51Å; A104-H154 PolarHBondContact N-O 3.29Å; A104-I155 HydrophobicContact CB-CG1 4.36Å; A104-I155 HydrophobicContact CB-CG2 4.35Å; A104-I155 WeakPolarHBondContact O-CA 3.45Å; A104-V156 PolarHBondContact O-N 2.95Å; A104-M179 WeakPolarHBondContact CA-O 3.27Å; A104-M179 HydrophobicContact CB-CB 4.33Å |
| 105 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.9 | 175.7 | 178.3 | 62.6 | 0 | 0 | 0 | 109.9 | L107 V156 V163 L172 I177 M179 F180 V181 I200 L204 | L105-L107 HydrophobicContact CD1-CD2 4.37Å; L105-L107 HydrophobicContact CG-CD2 4.35Å; L105-V156 CarbonylContact C-O 3.49Å; L105-V156 WeakPolarHBondContact CA-O 2.95Å; L105-V156 HydrophobicContact CD1-CB 4.01Å; L105-V156 HydrophobicContact CD1-CG1 3.88Å; L105-V163 HydrophobicContact CD1-CG1 3.75Å; L105-V163 HydrophobicContact CD1-CG2 4.31Å; L105-V163 HydrophobicContact CD2-CG1 3.97Å; L105-V163 HydrophobicContact CG-CG1 4.43Å; L105-L172 HydrophobicContact CD1-CD2 4.44Å; L105-I177 HydrophobicContact CB-CD1 4.22Å; L105-I177 HydrophobicContact CB-CG2 3.92Å; L105-M179 PolarHBondContact N-O 2.75Å; L105-F180 HydrophobicContact CB-CD2 4.14Å; L105-F180 HydrophobicContact CD2-CD2 3.9Å; L105-F180 HydrophobicContact CD2-CE2 3.83Å; L105-F180 HydrophobicContact CG-CD2 4.01Å; L105-F180 HydrophobicContact CG-CE2 4.14Å; L105-F180 CarbonylContact O-C 3.52Å; L105-F180 WeakPolarHBondContact O-CA 3.46Å; L105-V181 PolarHBondContact O-N 2.76Å; L105-I200 HydrophobicContact CD2-CG2 3.81Å; L105-L204 HydrophobicContact CD2-CD2 4.28Å |
| 106 | V | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.5 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | F87 I91 I117 I155 V156 V157 G158 V181 | F87-V106 HydrophobicContact CE2-CG1 3.94Å; F87-V106 HydrophobicContact CE2-CG2 4.34Å; F87-V106 HydrophobicContact CZ-CG1 4.17Å; I91-V106 HydrophobicContact CD1-CG2 3.51Å; V106-I117 HydrophobicContact CG1-CD1 4.36Å; V106-I117 HydrophobicContact CG1-CG2 4.33Å; V106-I155 HydrophobicContact CG2-CG2 4.43Å; V106-V156 PolarHBondContact N-O 2.87Å; V106-V157 HydrophobicContact CB-CB 4.31Å; V106-V157 HydrophobicContact CB-CG1 4.13Å; V106-V157 HydrophobicContact CB-CG2 4Å; V106-V157 HydrophobicContact CG1-CG1 4.28Å; V106-V157 HydrophobicContact CG2-CG2 4.15Å; V106-V157 CarbonylContact O-C 3.59Å; V106-V157 VanDerWaalsContact O-CA 3.29Å; V106-V157 WeakPolarHBondContact O-CA 3.21Å; V106-G158 PolarHBondContact O-N 3.41Å; V106-V181 CarbonylContact C-O 3.56Å; V106-V181 WeakPolarHBondContact CA-O 3.38Å; V106-V181 HydrophobicContact CB-CB 4.31Å; V106-V181 HydrophobicContact CG1-CB 4.07Å; V106-V181 HydrophobicContact CG1-CG1 4.18Å; V106-V181 HydrophobicContact CG2-CB 4.05Å; V106-V181 HydrophobicContact CG2-CG2 4.3Å |
| 107 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 139.5 | 170.6 | -54.9 | -173.9 | 0 | 0 | 0 | 110.7 | L105 G158 P160 V163 F180 V181 L182 D183 M188 I197 I200 | L105-L107 HydrophobicContact CD1-CD2 4.37Å; L105-L107 HydrophobicContact CG-CD2 4.35Å; L107-G158 WeakPolarHBondContact CA-O 3.18Å; L107-P160 HydrophobicContact CB-CG 4.46Å; L107-P160 HydrophobicContact CD1-CG 4.3Å; L107-V163 HydrophobicContact CD2-CB 4.01Å; L107-V163 HydrophobicContact CD2-CG1 3.97Å; L107-V163 HydrophobicContact CD2-CG2 3.84Å; L107-F180 HydrophobicContact CD1-CE2 3.63Å; L107-F180 HydrophobicContact CD1-CZ 3.55Å; L107-F180 HydrophobicContact CD2-CE2 4.43Å; L107-F180 HydrophobicContact CG-CE2 3.67Å; L107-F180 HydrophobicContact CG-CZ 4.09Å; L107-V181 PolarHBondContact N-O 3.27Å; L107-L182 HydrophobicContact CB-CD2 4.09Å; L107-L182 HydrophobicContact CD1-CD2 3.85Å; L107-L182 HydrophobicContact CG-CD2 4.26Å; L107-D183 PolarHBondContact O-N 3.05Å; L107-M188 HydrophobicContact CB-CE 4.21Å; L107-M188 HydrophobicContact CB-SD 3.74Å; L107-I197 HydrophobicContact CD1-CG1 4.09Å; L107-I200 HydrophobicContact CD1-CD1 3.8Å; L107-I200 HydrophobicContact CD2-CD1 4.2Å |
| 108 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -134.2 | 148.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T110 L113 A114 I117 G158 T159 P160 | A108-T110 VanDerWaalsContact C-N 3.3Å; A108-T110 PolarHBondContact O-N 2.81Å; A108-L113 HydrophobicContact CB-CB 4.3Å; A108-L113 HydrophobicContact CB-CD2 4.03Å; A108-L113 HydrophobicContact CB-CG 3.91Å; A108-A114 HydrophobicContact CB-CB 4.27Å; A108-I117 HydrophobicContact CB-CD1 3.82Å; A108-G158 PolarHBondContact N-O 3.3Å; A108-T159 WeakPolarHBondContact O-CA 3.49Å; A108-P160 WeakPolarHBondContact O-CD 3.46Å | ||
| 109 | P | 91.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.026 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -66.7 | -25.5 | -177.3 | 25.1 | -37.6 | 0 | 0 | 0 | 114.8 | L113 D183 E184 E187 M188 | P109-L113 HydrophobicContact CG-CD2 3.98Å; P109-D183 WeakPolarHBondContact CD-O 3.26Å; P109-E184 HydrophobicContact CG-CB 3.89Å; P109-E184 WeakPolarHBondContact CG-OE2 3.39Å; P109-E187 HydrophobicContact CB-CB 3.89Å; P109-E187 HydrophobicContact CB-CG 3.44Å; P109-E187 VanDerWaalsContact CB-CG 3.44Å; P109-E187 HydrophobicContact CG-CB 3.93Å; P109-E187 HydrophobicContact CG-CG 3.75Å; P109-M188 HydrophobicContact CB-CG 3.8Å; P109-M188 HydrophobicContact CG-CG 4.35Å |
| 110 | T | 89.4 | Confident | 93.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -130.7 | 156.9 | -173.3 | 74.7 | 0 | 0 | 0 | 0 | 112.2 | A108 E112 L113 A114 L332 | A108-T110 VanDerWaalsContact C-N 3.3Å; A108-T110 PolarHBondContact O-N 2.81Å; T110-E112 VanDerWaalsContact C-N 3.33Å; T110-L113 WeakPolarHBondContact OG1-CB 3.23Å; T110-L113 PolarHBondContact OG1-N 2.65Å; T110-L113 VanDerWaalsContact OG1-N 3.08Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.42Å; T110-L332 HydrophobicContact CG2-CD1 4.2Å |
| 111 | R | 89.7 | Confident | 94.2 | Very high | 65 Ų | 65 | 19 Ų | 19 | 25% | 0.245 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 179.3 | -58.5 | 175.9 | -176.9 | 171.1 | 1.4 | 110.5 | A114 Q115 I136 G137 T159 | R111-A114 PolarHBondContact O-N 3.32Å; R111-Q115 WeakPolarHBondContact O-CG 3.47Å; R111-Q115 PolarHBondContact O-N 2.97Å; R111-I136 HydrophobicContact CB-CB 4.1Å; R111-I136 HydrophobicContact CB-CD1 4.2Å; R111-I136 HydrophobicContact CB-CG2 4.16Å; R111-I136 HydrophobicContact CG-CB 4.03Å; R111-I136 HydrophobicContact CG-CG2 4.41Å; R111-G137 WeakPolarHBondContact CD-O 3.24Å; R111-G137 VanDerWaalsContact CZ-O 3.31Å; R111-G137 PolarHBondContact NE-O 3.32Å; R111-G137 VanDerWaalsContact NE-O 3.15Å; R111-T159 HydrophobicContact CG-CG2 3.96Å |
| 112 | E | 87.4 | Confident | 94.3 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 179.2 | -65.6 | 69.1 | -153 | 0 | 0 | 111.4 | T110 Q116 Q309 R312 M316 I337 | T110-E112 VanDerWaalsContact C-N 3.33Å; E112-Q116 WeakPolarHBondContact O-CB 3.5Å; E112-Q116 PolarHBondContact O-N 3.38Å; E112-Q309 PolarHBondContact OE1-NE2 3.27Å; E112-R312 IonicContact OE1-CZ 3.5Å; E112-R312 IonicContact OE1-NE 3.32Å; E112-R312 PolarHBondContact OE1-NE 3.44Å; E112-R312 IonicContact OE1-NH2 3.11Å; E112-R312 PolarHBondContact OE1-NH2 2.91Å; E112-R312 IonicContact OE2-CZ 3.73Å; E112-R312 IonicContact OE2-NH2 2.65Å; E112-R312 PolarHBondContact OE2-NH2 2.92Å; E112-M316 HydrophobicContact CG-CG 4.26Å; E112-I337 HydrophobicContact CB-CD1 3.85Å; E112-I337 HydrophobicContact CB-CG1 4.15Å; E112-I337 HydrophobicContact CG-CD1 4.18Å |
| 113 | L | 89.3 | Confident | 94.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 175.4 | 177.8 | 54.4 | 0 | 0 | 0 | 111 | A108 P109 T110 Q115 Q116 I117 E184 | A108-L113 HydrophobicContact CB-CB 4.3Å; A108-L113 HydrophobicContact CB-CD2 4.03Å; A108-L113 HydrophobicContact CB-CG 3.91Å; P109-L113 HydrophobicContact CG-CD2 3.98Å; T110-L113 WeakPolarHBondContact OG1-CB 3.23Å; T110-L113 PolarHBondContact OG1-N 2.65Å; T110-L113 VanDerWaalsContact OG1-N 3.08Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-Q115 PolarHBondContact O-N 3.46Å; L113-Q116 WeakPolarHBondContact O-CB 3.29Å; L113-Q116 PolarHBondContact O-N 2.88Å; L113-I117 HydrophobicContact CD1-CD1 3.93Å; L113-I117 HydrophobicContact CD1-CG1 3.89Å; L113-I117 HydrophobicContact CG-CD1 3.81Å; L113-I117 HydrophobicContact CG-CG1 4.29Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.18Å; L113-I117 PolarHBondContact O-N 2.92Å; L113-E184 HydrophobicContact CD2-CG 3.98Å; L113-E184 VanDerWaalsContact CD2-OE2 3.32Å; L113-E184 WeakPolarHBondContact CD2-OE2 3.32Å |
| 114 | A | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.9 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A108 T110 R111 I117 Q118 I136 V157 | A108-A114 HydrophobicContact CB-CB 4.27Å; T110-A114 WeakPolarHBondContact O-CB 3.45Å; T110-A114 PolarHBondContact O-N 3.42Å; R111-A114 PolarHBondContact O-N 3.32Å; A114-I117 PolarHBondContact O-N 3.36Å; A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 2.96Å; A114-I136 HydrophobicContact CB-CG2 3.65Å; A114-V157 HydrophobicContact CB-CG1 3.99Å; A114-V157 WeakPolarHBondContact O-CG1 3.38Å |
| 115 | Q | 92.2 | Very high | 94.3 | Very high | 44 Ų | 44 | 20.7 Ų | 20.7 | 21% | 0.206 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 174.2 | -72.2 | 174.5 | -22.6 | 0 | 0 | 112.5 | R111 L113 Q118 K119 I136 | R111-Q115 WeakPolarHBondContact O-CG 3.47Å; R111-Q115 PolarHBondContact O-N 2.97Å; L113-Q115 VanDerWaalsContact C-N 3.31Å; L113-Q115 PolarHBondContact O-N 3.46Å; Q115-Q118 WeakPolarHBondContact O-CB 3.24Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q115-K119 WeakPolarHBondContact O-CG 3.46Å; Q115-K119 PolarHBondContact O-N 3.04Å; Q115-K119 VanDerWaalsContact O-N 3.08Å; Q115-I136 HydrophobicContact CG-CD1 3.86Å |
| 116 | Q | 90.8 | Very high | 94.1 | Very high | 24 Ų | 24 | 26 Ų | 26 | 11% | 0.112 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -45.4 | 177.1 | -175.7 | 179 | -52.7 | 0 | 0 | 111.6 | E112 L113 Q118 K119 V120 G336 | E112-Q116 WeakPolarHBondContact O-CB 3.5Å; E112-Q116 PolarHBondContact O-N 3.38Å; L113-Q116 WeakPolarHBondContact O-CB 3.29Å; L113-Q116 PolarHBondContact O-N 2.88Å; Q116-Q118 VanDerWaalsContact C-N 3.32Å; Q116-Q118 PolarHBondContact O-N 3.05Å; Q116-K119 WeakPolarHBondContact O-CB 3.37Å; Q116-K119 PolarHBondContact O-N 3.34Å; Q116-V120 WeakPolarHBondContact O-CG2 3.48Å; Q116-V120 PolarHBondContact O-N 3.17Å; Q116-G336 PolarHBondContact NE2-O 3.49Å; Q116-G336 PolarHBondContact OE1-O 3.14Å |
| 117 | I | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 174.9 | -66.3 | 165.1 | 0 | 0 | 0 | 110.1 | T84 F87 V106 A108 L113 A114 K119 V120 I121 V157 D183 | T84-I117 HydrophobicContact CG2-CB 4.42Å; T84-I117 HydrophobicContact CG2-CG1 3.92Å; F87-I117 HydrophobicContact CE2-CG2 3.66Å; F87-I117 HydrophobicContact CZ-CD1 4.05Å; F87-I117 HydrophobicContact CZ-CG1 4.04Å; F87-I117 HydrophobicContact CZ-CG2 3.77Å; V106-I117 HydrophobicContact CG1-CD1 4.36Å; V106-I117 HydrophobicContact CG1-CG2 4.33Å; A108-I117 HydrophobicContact CB-CD1 3.82Å; L113-I117 HydrophobicContact CD1-CD1 3.93Å; L113-I117 HydrophobicContact CD1-CG1 3.89Å; L113-I117 HydrophobicContact CG-CD1 3.81Å; L113-I117 HydrophobicContact CG-CG1 4.29Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.18Å; L113-I117 PolarHBondContact O-N 2.92Å; A114-I117 PolarHBondContact O-N 3.36Å; I117-K119 VanDerWaalsContact C-N 3.29Å; I117-K119 PolarHBondContact O-N 3.02Å; I117-V120 PolarHBondContact O-N 3.28Å; I117-V120 VanDerWaalsContact O-N 3.16Å; I117-I121 HydrophobicContact CG2-CD1 3.72Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 WeakPolarHBondContact O-CG1 3.49Å; I117-I121 PolarHBondContact O-N 3.36Å; I117-V157 HydrophobicContact CB-CG1 3.89Å; I117-V157 HydrophobicContact CD1-CG1 4.27Å; I117-V157 HydrophobicContact CG2-CB 4.48Å; I117-V157 HydrophobicContact CG2-CG1 3.76Å; I117-V157 HydrophobicContact CG2-CG2 3.88Å; I117-D183 HydrophobicContact CD1-CB 4.19Å; I117-D183 WeakPolarHBondContact CD1-OD2 3.06Å |
| 118 | Q | 96.2 | Very high | 94 | Very high | 41 Ų | 41 | 31.2 Ų | 31.2 | 19% | 0.192 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.7 | -46 | 176 | -174.8 | -165.5 | 19 | 0 | 0 | 111.5 | A114 Q115 Q116 I121 L122 C132 A134 | A114-Q118 WeakPolarHBondContact O-CB 3.35Å; A114-Q118 PolarHBondContact O-N 2.96Å; Q115-Q118 WeakPolarHBondContact O-CB 3.24Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q116-Q118 VanDerWaalsContact C-N 3.32Å; Q116-Q118 PolarHBondContact O-N 3.05Å; Q118-I121 PolarHBondContact O-N 2.92Å; Q118-L122 HydrophobicContact CG-CD1 3.97Å; Q118-L122 HydrophobicContact CG-CG 4.42Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.3Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.43Å; Q118-C132 HydrophobicContact CG-CB 4.27Å; Q118-C132 PolarHBondContact NE2-O 2.68Å; Q118-A134 HydrophobicContact CB-CB 4.2Å; Q118-A134 HydrophobicContact CG-CB 4.33Å |
| 119 | K | 94.5 | Very high | 94 | Very high | 128 Ų | 128 | 33.4 Ų | 33.4 | 56% | 0.557 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -62.3 | -43 | 178.2 | -71.1 | 177.4 | -175.8 | -173.7 | 0 | 112.4 | Q115 Q116 I117 L122 A123 | Q115-K119 WeakPolarHBondContact O-CG 3.46Å; Q115-K119 PolarHBondContact O-N 3.04Å; Q115-K119 VanDerWaalsContact O-N 3.08Å; Q116-K119 WeakPolarHBondContact O-CB 3.37Å; Q116-K119 PolarHBondContact O-N 3.34Å; I117-K119 VanDerWaalsContact C-N 3.29Å; I117-K119 PolarHBondContact O-N 3.02Å; K119-L122 PolarHBondContact O-N 2.89Å; K119-A123 VanDerWaalsContact O-CB 3.32Å; K119-A123 WeakPolarHBondContact O-CB 3.31Å; K119-A123 PolarHBondContact O-N 3.5Å |
| 120 | V | 95.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | T84 A88 Q116 I117 L122 A123 L124 | T84-V120 HydrophobicContact CG2-CB 4.18Å; T84-V120 HydrophobicContact CG2-CG1 4.15Å; T84-V120 HydrophobicContact CG2-CG2 4.17Å; A88-V120 HydrophobicContact CB-CG1 4.28Å; Q116-V120 WeakPolarHBondContact O-CG2 3.48Å; Q116-V120 PolarHBondContact O-N 3.17Å; I117-V120 PolarHBondContact O-N 3.28Å; I117-V120 VanDerWaalsContact O-N 3.16Å; V120-L122 PolarHBondContact O-N 3.31Å; V120-A123 PolarHBondContact O-N 3.27Å; V120-L124 HydrophobicContact CG1-CD1 3.72Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 VanDerWaalsContact O-CG 3.31Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 3.47Å |
| 121 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.8 | -72.1 | 175.6 | 0 | 0 | 0 | 111.4 | A88 L92 I117 Q118 A123 L124 G125 C132 I155 V157 | A88-I121 HydrophobicContact CB-CG1 3.72Å; L92-I121 HydrophobicContact CD2-CG2 4.36Å; I117-I121 HydrophobicContact CG2-CD1 3.72Å; I117-I121 HydrophobicContact CG2-CG1 4.3Å; I117-I121 WeakPolarHBondContact O-CG1 3.49Å; I117-I121 PolarHBondContact O-N 3.36Å; Q118-I121 PolarHBondContact O-N 2.92Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.27Å; I121-L124 PolarHBondContact O-N 3.43Å; I121-G125 PolarHBondContact O-N 3.01Å; I121-C132 HydrophobicContact CG2-CB 3.77Å; I121-I155 HydrophobicContact CD1-CD1 4.48Å; I121-I155 HydrophobicContact CD1-CG2 4.1Å; I121-I155 HydrophobicContact CG2-CD1 3.31Å; I121-V157 HydrophobicContact CD1-CG2 3.83Å |
| 122 | L | 97.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 35% | 0.351 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 179.6 | -71.9 | 173.9 | 0 | 0 | 0 | 111.8 | Q118 K119 V120 G125 D126 C132 | Q118-L122 HydrophobicContact CG-CD1 3.97Å; Q118-L122 HydrophobicContact CG-CG 4.42Å; Q118-L122 WeakPolarHBondContact O-CB 3.4Å; Q118-L122 VanDerWaalsContact O-CG 3.3Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.43Å; K119-L122 PolarHBondContact O-N 2.89Å; V120-L122 PolarHBondContact O-N 3.31Å; L122-G125 CarbonylContact O-C 3.58Å; L122-G125 PolarHBondContact O-N 3.35Å; L122-D126 PolarHBondContact O-N 3.39Å; L122-C132 HydrophobicContact CD2-CB 3.78Å; L122-C132 HydrophobicContact CG-CB 4.02Å |
| 123 | A | 96.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 34 Ų | 34 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y51 K119 V120 I121 G125 | Y51-A123 HydrophobicContact CD2-CB 3.55Å; Y51-A123 HydrophobicContact CE2-CB 3.66Å; K119-A123 VanDerWaalsContact O-CB 3.32Å; K119-A123 WeakPolarHBondContact O-CB 3.31Å; K119-A123 PolarHBondContact O-N 3.5Å; V120-A123 PolarHBondContact O-N 3.27Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.27Å; A123-G125 VanDerWaalsContact C-N 3.31Å; A123-G125 PolarHBondContact O-N 3.36Å |
| 124 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.2 | -30.7 | 175.6 | -66.6 | 173.9 | 0 | 0 | 0 | 112.4 | G47 I48 Y51 F53 A88 I89 L92 V120 I121 | G47-L124 WeakPolarHBondContact CA-O 3.37Å; I48-L124 HydrophobicContact CG1-CD2 4.13Å; Y51-L124 HydrophobicContact CD1-CD2 4.4Å; Y51-L124 HydrophobicContact CD2-CD2 4.48Å; Y51-L124 HydrophobicContact CG-CD2 3.98Å; F53-L124 HydrophobicContact CD2-CD2 4.15Å; F53-L124 HydrophobicContact CE2-CD2 4.04Å; A88-L124 HydrophobicContact CB-CD1 3.87Å; I89-L124 HydrophobicContact CG1-CD1 4.11Å; L92-L124 HydrophobicContact CD1-CB 3.57Å; V120-L124 HydrophobicContact CG1-CD1 3.72Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 WeakPolarHBondContact O-CB 3.47Å; V120-L124 VanDerWaalsContact O-CG 3.31Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 3.47Å; I121-L124 PolarHBondContact O-N 3.43Å |
| 125 | G | 97.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I121 L122 A123 Y127 M128 G129 | I121-G125 PolarHBondContact O-N 3.01Å; L122-G125 CarbonylContact O-C 3.58Å; L122-G125 PolarHBondContact O-N 3.35Å; A123-G125 VanDerWaalsContact C-N 3.31Å; A123-G125 PolarHBondContact O-N 3.36Å; G125-Y127 VanDerWaalsContact C-N 3.32Å; G125-Y127 PolarHBondContact O-N 2.96Å; G125-M128 WeakPolarHBondContact O-CA 3.16Å; G125-M128 WeakPolarHBondContact O-CB 3.47Å; G125-M128 PolarHBondContact O-N 3.45Å; G125-G129 PolarHBondContact O-N 3.39Å |
| 126 | D | 95.3 | Very high | 95.4 | Very high | 112 Ų | 112 | 32.6 Ų | 32.6 | 60% | 0.599 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -56.4 | -45.3 | -171.4 | -170.6 | 46 | 0 | 0 | 0 | 111.9 | L122 M128 | L122-D126 PolarHBondContact O-N 3.39Å; D126-M128 PolarHBondContact O-N 2.84Å |
| 127 | Y | 96.8 | Very high | 95.1 | Very high | 92 Ų | 92 | 32.1 Ų | 32.1 | 36% | 0.361 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -79.1 | -0.2 | 178.2 | -58.4 | -76 | 0 | 0 | 0 | 114.6 | S43 R46 A50 G125 | S43-Y127 WeakPolarHBondContact CB-O 3.46Å; S43-Y127 WeakPolarHBondContact O-CB 3.18Å; R46-Y127 HydrophobicContact CB-CD2 4.01Å; R46-Y127 HydrophobicContact CB-CE2 4.45Å; R46-Y127 HydrophobicContact CB-CG 4.31Å; R46-Y127 HydrophobicContact CG-CD1 4.31Å; R46-Y127 HydrophobicContact CG-CD2 3.7Å; R46-Y127 HydrophobicContact CG-CE1 4.36Å; R46-Y127 HydrophobicContact CG-CE2 3.72Å; R46-Y127 HydrophobicContact CG-CG 3.99Å; A50-Y127 HydrophobicContact CB-CE2 3.75Å; G125-Y127 VanDerWaalsContact C-N 3.32Å; G125-Y127 PolarHBondContact O-N 2.96Å |
| 128 | M | 96.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -100.7 | -17 | 177.5 | -55.8 | -178.5 | 67 | 0 | 0 | 112.4 | K41 L44 L92 I97 G125 D126 A130 | K41-M128 HydrophobicContact CD-CE 3.82Å; L44-M128 HydrophobicContact CB-SD 3.8Å; L44-M128 HydrophobicContact CD1-SD 4.03Å; L44-M128 HydrophobicContact CG-SD 4.38Å; L92-M128 HydrophobicContact CB-CE 4.47Å; L92-M128 HydrophobicContact CB-SD 3.92Å; L92-M128 HydrophobicContact CD2-SD 4.18Å; L92-M128 WeakPolarHBondContact O-CE 3.4Å; I97-M128 HydrophobicContact CD1-CB 4.06Å; I97-M128 HydrophobicContact CD1-CE 4.2Å; I97-M128 HydrophobicContact CG1-CB 4.34Å; I97-M128 HydrophobicContact CG1-CE 4.28Å; I97-M128 WeakPolarHBondContact CG2-O 3.36Å; G125-M128 WeakPolarHBondContact O-CA 3.16Å; G125-M128 WeakPolarHBondContact O-CB 3.47Å; G125-M128 PolarHBondContact O-N 3.45Å; D126-M128 PolarHBondContact O-N 2.84Å; M128-A130 VanDerWaalsContact C-N 3.27Å; M128-A130 HydrophobicContact CB-CB 4.38Å |
| 129 | G | 93.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 35 Ų | 35 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 27.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G125 H154 | G125-G129 PolarHBondContact O-N 3.39Å; G129-H154 PolarHBondContact O-CE1 3.41Å |
| 130 | A | 95.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | trans | -73.5 | 130.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L92 L95 I97 M128 | L92-A130 HydrophobicContact CD2-CB 3.6Å; L95-A130 HydrophobicContact CD1-CB 4.07Å; I97-A130 HydrophobicContact CD1-CB 3.99Å; M128-A130 VanDerWaalsContact C-N 3.27Å; M128-A130 HydrophobicContact CB-CB 4.38Å | ||
| 131 | T | 95.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | trans | -99.8 | 137.4 | 175.1 | 54.9 | 0 | 0 | 0 | 0 | 110.5 | P153 H154 I155 | T131-P153 WeakPolarHBondContact OG1-CA 3.41Å; T131-H154 PolarHBondContact N-ND1 3.17Å; T131-H154 VanDerWaalsContact N-ND1 3.12Å; T131-H154 PolarHBondContact O-N 2.94Å; T131-H154 PolarHBondContact OG1-N 3.28Å; T131-H154 PolarHBondContact OG1-ND1 2.95Å; T131-I155 PolarHBondContact O-N 2.83Å | ||
| 132 | C | 96.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 131.9 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | Q118 I121 L122 I155 V157 | Q118-C132 HydrophobicContact CG-CB 4.27Å; Q118-C132 PolarHBondContact NE2-O 2.68Å; I121-C132 HydrophobicContact CG2-CB 3.77Å; L122-C132 HydrophobicContact CD2-CB 3.78Å; L122-C132 HydrophobicContact CG-CB 4.02Å; C132-I155 CarbonylContact C-O 3.55Å; C132-I155 VanDerWaalsContact CA-O 3.31Å; C132-I155 WeakPolarHBondContact CA-O 3.25Å; C132-I155 HydrophobicContact CB-CB 4.14Å; C132-V157 VanDerWaalsContact SG-CG2 3.58Å |
| 133 | H | 94.6 | Very high | 90.9 | Very high | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.3 | -178.5 | -175.4 | 62.9 | 0 | 0 | 0 | 112.1 | E144 P153 I155 V157 | H133-E144 IonicContact CD2-OE1 3.12Å; H133-E144 IonicContact CE1-OE1 3.66Å; H133-E144 IonicContact NE2-OE1 2.86Å; H133-E144 PolarHBondContact NE2-OE1 3.34Å; H133-E144 IonicContact NE2-OE2 2.72Å; H133-P153 HydrophobicContact CB-CB 3.85Å; H133-P153 HydrophobicContact CB-CG 3.64Å; H133-I155 PolarHBondContact N-O 3.43Å; H133-V157 PolarHBondContact O-N 3.13Å |
| 134 | A | 94.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 106.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q118 I136 V157 | Q118-A134 HydrophobicContact CB-CB 4.2Å; Q118-A134 HydrophobicContact CG-CB 4.33Å; A134-I136 PolarHBondContact O-N 3.17Å; A134-V157 CarbonylContact C-O 3.21Å; A134-V157 WeakPolarHBondContact CA-O 3.26Å |
| 135 | C | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 86 | -179.8 | -155.9 | 0 | 0 | 0 | 0 | 111.7 | E144 V156 V157 G158 T159 R162 V163 M166 | C135-E144 VanDerWaalsContact CA-OE1 3.32Å; C135-E144 WeakPolarHBondContact CA-OE1 3.49Å; C135-E144 PolarHBondContact SG-OE1 3.29Å; C135-V156 HydrophobicContact CB-CG1 3.8Å; C135-V157 PolarHBondContact N-O 3Å; C135-G158 WeakPolarHBondContact O-CA 3.23Å; C135-T159 PolarHBondContact O-N 3.07Å; C135-R162 VanDerWaalsContact SG-CG 3.58Å; C135-V163 HydrophobicContact CB-CG2 4.2Å; C135-M166 WeakPolarHBondContact SG-CG 3.38Å |
| 136 | I | 91.8 | Very high | 88.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -121.2 | 150.4 | -171.1 | 58.3 | 171.4 | 0 | 0 | 0 | 112.7 | R111 A114 Q115 A134 T139 T159 R162 | R111-I136 HydrophobicContact CB-CB 4.1Å; R111-I136 HydrophobicContact CB-CD1 4.2Å; R111-I136 HydrophobicContact CB-CG2 4.16Å; R111-I136 HydrophobicContact CG-CB 4.03Å; R111-I136 HydrophobicContact CG-CG2 4.41Å; A114-I136 HydrophobicContact CB-CG2 3.65Å; Q115-I136 HydrophobicContact CG-CD1 3.86Å; A134-I136 PolarHBondContact O-N 3.17Å; I136-T139 HydrophobicContact CD1-CG2 4.34Å; I136-T139 HydrophobicContact CG1-CG2 3.97Å; I136-T139 PolarHBondContact O-OG1 3.17Å; I136-T139 VanDerWaalsContact O-OG1 3.09Å; I136-T159 HydrophobicContact CG2-CG2 4.43Å; I136-R162 PolarHBondContact O-NH1 3.29Å | ||
| 137 | G | 84.9 | Confident | 88 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 166.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R111 T139 | R111-G137 WeakPolarHBondContact CD-O 3.24Å; R111-G137 VanDerWaalsContact CZ-O 3.31Å; R111-G137 PolarHBondContact NE-O 3.32Å; R111-G137 VanDerWaalsContact NE-O 3.15Å; G137-T139 PolarHBondContact O-N 3.32Å |
| 138 | G | 79.3 | Confident | 87.3 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -9.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 139 | T | 77.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -90.6 | 154.3 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | I136 G137 V141 E144 R162 | I136-T139 HydrophobicContact CD1-CG2 4.34Å; I136-T139 HydrophobicContact CG1-CG2 3.97Å; I136-T139 PolarHBondContact O-OG1 3.17Å; I136-T139 VanDerWaalsContact O-OG1 3.09Å; G137-T139 PolarHBondContact O-N 3.32Å; T139-V141 PolarHBondContact O-N 3.18Å; T139-E144 PolarHBondContact OG1-OE2 3.11Å; T139-E144 VanDerWaalsContact OG1-OE2 3.1Å; T139-R162 PolarHBondContact O-NH1 3.49Å; T139-R162 PolarHBondContact O-NH2 2.91Å; T139-R162 PolarHBondContact OG1-NH1 3.33Å |
| 140 | N | 82.2 | Confident | 85.9 | Confident | 95 Ų | 95 | 52.7 Ų | 52.7 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | trans | -63.2 | 116 | 176.5 | -174.8 | -40.5 | 0 | 0 | 0 | 110.2 | R142 N143 E144 | N140-R142 PolarHBondContact O-N 3.37Å; N140-R142 VanDerWaalsContact OD1-CB 3.27Å; N140-R142 WeakPolarHBondContact OD1-CB 3.27Å; N140-R142 PolarHBondContact OD1-N 3.12Å; N140-N143 HydrophobicContact CB-CB 4.28Å; N140-N143 PolarHBondContact O-N 3.49Å; N140-N143 VanDerWaalsContact O-N 3.11Å; N140-E144 PolarHBondContact O-N 3.12Å | ||
| 141 | V | 82.5 | Confident | 85.3 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -36.1 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 112 | T139 E144 M145 M166 | T139-V141 PolarHBondContact O-N 3.18Å; V141-E144 VanDerWaalsContact O-CB 3.28Å; V141-E144 WeakPolarHBondContact O-CB 3.46Å; V141-E144 PolarHBondContact O-N 3.08Å; V141-M145 HydrophobicContact CG1-CG 4.28Å; V141-M145 HydrophobicContact CG1-SD 3.98Å; V141-M145 WeakPolarHBondContact O-CB 3.27Å; V141-M145 WeakPolarHBondContact O-CG 3.39Å; V141-M145 PolarHBondContact O-N 3.05Å; V141-M166 HydrophobicContact CG1-CE 4.02Å |
| 142 | R | 83.9 | Confident | 85 | Confident | 173 Ų | 173 | 57 Ų | 57 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 179 | -170.6 | 178.5 | -176.8 | 166.7 | 1.7 | 112.1 | N140 E144 M145 Q146 | N140-R142 PolarHBondContact O-N 3.37Å; N140-R142 VanDerWaalsContact OD1-CB 3.27Å; N140-R142 WeakPolarHBondContact OD1-CB 3.27Å; N140-R142 PolarHBondContact OD1-N 3.12Å; R142-E144 VanDerWaalsContact C-N 3.33Å; R142-M145 PolarHBondContact O-N 3.24Å; R142-Q146 WeakPolarHBondContact O-CB 3.33Å; R142-Q146 VanDerWaalsContact O-CG 3.3Å; R142-Q146 WeakPolarHBondContact O-CG 3.47Å; R142-Q146 PolarHBondContact O-N 3.48Å |
| 143 | N | 81.6 | Confident | 84.9 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 176.3 | -66.4 | -0.9 | 0 | 0 | 0 | 110.6 | N140 Q146 K147 | N140-N143 HydrophobicContact CB-CB 4.28Å; N140-N143 PolarHBondContact O-N 3.49Å; N140-N143 VanDerWaalsContact O-N 3.11Å; N143-Q146 PolarHBondContact O-N 3.3Å; N143-K147 WeakPolarHBondContact O-CG 3.39Å; N143-K147 PolarHBondContact O-N 3.22Å |
| 144 | E | 80.2 | Confident | 85 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 174.4 | -162.7 | 71.2 | -159.3 | 0 | 0 | 111.3 | H133 C135 T139 N140 V141 R142 K147 L148 M166 | H133-E144 IonicContact CD2-OE1 3.12Å; H133-E144 IonicContact CE1-OE1 3.66Å; H133-E144 IonicContact NE2-OE1 2.86Å; H133-E144 PolarHBondContact NE2-OE1 3.34Å; H133-E144 IonicContact NE2-OE2 2.72Å; C135-E144 VanDerWaalsContact CA-OE1 3.32Å; C135-E144 WeakPolarHBondContact CA-OE1 3.49Å; C135-E144 PolarHBondContact SG-OE1 3.29Å; T139-E144 PolarHBondContact OG1-OE2 3.11Å; T139-E144 VanDerWaalsContact OG1-OE2 3.1Å; N140-E144 PolarHBondContact O-N 3.12Å; V141-E144 VanDerWaalsContact O-CB 3.28Å; V141-E144 WeakPolarHBondContact O-CB 3.46Å; V141-E144 PolarHBondContact O-N 3.08Å; R142-E144 VanDerWaalsContact C-N 3.33Å; E144-K147 PolarHBondContact O-N 3.07Å; E144-L148 PolarHBondContact O-N 3.19Å; E144-L148 VanDerWaalsContact O-N 3.1Å; E144-M166 HydrophobicContact CG-SD 4Å |
| 145 | M | 82.8 | Confident | 85.2 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 17% | 0.167 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 175.8 | -72.2 | 168 | 48.4 | 0 | 0 | 111.9 | V141 R142 K147 L148 Q149 Y171 | V141-M145 HydrophobicContact CG1-CG 4.28Å; V141-M145 HydrophobicContact CG1-SD 3.98Å; V141-M145 WeakPolarHBondContact O-CB 3.27Å; V141-M145 WeakPolarHBondContact O-CG 3.39Å; V141-M145 PolarHBondContact O-N 3.05Å; R142-M145 PolarHBondContact O-N 3.24Å; M145-K147 VanDerWaalsContact C-N 3.27Å; M145-K147 PolarHBondContact O-N 3.13Å; M145-L148 PolarHBondContact O-N 3.02Å; M145-Q149 WeakPolarHBondContact O-CB 3.37Å; M145-Q149 VanDerWaalsContact O-CG 3.29Å; M145-Q149 WeakPolarHBondContact O-CG 3.26Å; M145-Q149 PolarHBondContact O-N 3.48Å; M145-Y171 HydrophobicContact CB-CD2 4.48Å; M145-Y171 HydrophobicContact CB-CG 4.45Å; M145-Y171 HydrophobicContact CE-CD1 4.26Å; M145-Y171 HydrophobicContact CE-CD2 4.46Å; M145-Y171 HydrophobicContact CE-CE1 3.48Å; M145-Y171 VanDerWaalsContact CE-CE1 3.48Å; M145-Y171 HydrophobicContact CE-CE2 3.66Å; M145-Y171 WeakPolarHBondContact CE-OH 3.43Å; M145-Y171 HydrophobicContact CG-CD1 4.13Å; M145-Y171 HydrophobicContact CG-CD2 3.38Å; M145-Y171 HydrophobicContact CG-CE1 4.19Å; M145-Y171 HydrophobicContact CG-CE2 3.37Å; M145-Y171 HydrophobicContact CG-CG 3.77Å; M145-Y171 HydrophobicContact SD-CD2 3.96Å; M145-Y171 HydrophobicContact SD-CE1 4.22Å; M145-Y171 HydrophobicContact SD-CE2 3.27Å; M145-Y171 WeakPolarHBondContact SD-CE2 3.49Å |
| 146 | Q | 82.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 55.1 Ų | 55.1 | 48% | 0.481 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | -178.9 | -77 | 175.5 | -17.1 | 0 | 0 | 111.7 | R142 N143 A150 | R142-Q146 WeakPolarHBondContact O-CB 3.33Å; R142-Q146 VanDerWaalsContact O-CG 3.3Å; R142-Q146 WeakPolarHBondContact O-CG 3.47Å; R142-Q146 PolarHBondContact O-N 3.48Å; N143-Q146 PolarHBondContact O-N 3.3Å; Q146-A150 WeakPolarHBondContact O-CB 3.43Å; Q146-A150 PolarHBondContact O-N 3.13Å |
| 147 | K | 80.8 | Confident | 85.6 | Confident | 129 Ų | 129 | 54.8 Ų | 54.8 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -50.4 | 176.4 | -74.8 | -180 | 177.1 | -171.8 | 0 | 112.1 | N143 E144 M145 Q149 A150 E151 | N143-K147 WeakPolarHBondContact O-CG 3.39Å; N143-K147 PolarHBondContact O-N 3.22Å; E144-K147 PolarHBondContact O-N 3.07Å; M145-K147 VanDerWaalsContact C-N 3.27Å; M145-K147 PolarHBondContact O-N 3.13Å; K147-Q149 PolarHBondContact O-N 3.11Å; K147-A150 PolarHBondContact O-N 3.03Å; K147-E151 PolarHBondContact O-N 2.86Å |
| 148 | L | 82.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -29.7 | -179.9 | -69.8 | 173.9 | 0 | 0 | 0 | 112.9 | E144 M145 P153 V156 M166 | E144-L148 PolarHBondContact O-N 3.19Å; E144-L148 VanDerWaalsContact O-N 3.1Å; M145-L148 PolarHBondContact O-N 3.02Å; L148-P153 HydrophobicContact CD2-CG 3.95Å; L148-V156 HydrophobicContact CD2-CG2 4.25Å; L148-M166 HydrophobicContact CD1-CB 4.24Å; L148-M166 HydrophobicContact CD1-CG 3.95Å; L148-M166 HydrophobicContact CD1-SD 4.16Å |
| 149 | Q | 79.6 | Confident | 86.9 | Confident | 121 Ų | 121 | 52.3 Ų | 52.3 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -87 | -29.8 | 179.4 | -70.9 | -177.1 | -41.4 | 0 | 0 | 114 | M145 K147 | M145-Q149 WeakPolarHBondContact O-CB 3.37Å; M145-Q149 VanDerWaalsContact O-CG 3.29Å; M145-Q149 WeakPolarHBondContact O-CG 3.26Å; M145-Q149 PolarHBondContact O-N 3.48Å; K147-Q149 PolarHBondContact O-N 3.11Å |
| 150 | A | 80.7 | Confident | 87.7 | Confident | 88 Ų | 88 | 50 Ų | 50 | 73% | 0.727 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -72.7 | -45.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q146 K147 | Q146-A150 WeakPolarHBondContact O-CB 3.43Å; Q146-A150 PolarHBondContact O-N 3.13Å; K147-A150 PolarHBondContact O-N 3.03Å |
| 151 | E | 82.8 | Confident | 88.3 | Confident | 115 Ų | 115 | 47.3 Ų | 47.3 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -148.6 | 111.6 | 176 | -171.4 | 175 | -173.7 | 0 | 0 | 108.6 | K147 P153 | K147-E151 PolarHBondContact O-N 2.86Å; E151-P153 WeakPolarHBondContact O-CD 3.45Å |
| 152 | A | 88.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | trans | -65.6 | 118.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 153 | P | 94.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | trans | -70.2 | 146.1 | 179.1 | 31.1 | -36 | 0 | 0 | 0 | 109.6 | T102 T131 H133 L148 E151 I155 V156 | T102-P153 WeakPolarHBondContact CA-O 3.39Å; T102-P153 WeakPolarHBondContact CB-O 3.38Å; T102-P153 PolarHBondContact N-O 2.84Å; T102-P153 PolarHBondContact OG1-O 2.8Å; T131-P153 WeakPolarHBondContact OG1-CA 3.41Å; H133-P153 HydrophobicContact CB-CB 3.85Å; H133-P153 HydrophobicContact CB-CG 3.64Å; L148-P153 HydrophobicContact CD2-CG 3.95Å; E151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-I155 PolarHBondContact O-N 2.73Å; P153-V156 HydrophobicContact CG-CG2 3.78Å | ||
| 154 | H | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -62.2 | -32.6 | 175 | -52 | 135.6 | 0 | 0 | 0 | 111.7 | L95 I97 F99 K100 E101 Q103 A104 G129 T131 | L95-H154 HydrophobicContact CD1-CB 3.83Å; L95-H154 HydrophobicContact CD2-CB 4.11Å; I97-H154 PolarHBondContact O-NE2 3.02Å; I97-H154 VanDerWaalsContact O-NE2 3.17Å; F99-H154 PolarHBondContact O-CD2 3.17Å; K100-H154 WeakPolarHBondContact CD-NE2 3.32Å; K100-H154 PolarHBondContact NZ-NE2 3.1Å; E101-H154 WeakPolarHBondContact O-CA 3.41Å; Q103-H154 PolarHBondContact N-O 3.27Å; A104-H154 PolarHBondContact N-O 3.29Å; G129-H154 PolarHBondContact O-CE1 3.41Å; T131-H154 PolarHBondContact N-ND1 3.17Å; T131-H154 VanDerWaalsContact N-ND1 3.12Å; T131-H154 PolarHBondContact O-N 2.94Å; T131-H154 PolarHBondContact OG1-N 3.28Å; T131-H154 PolarHBondContact OG1-ND1 2.95Å |
| 155 | I | 98.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.1 | -177.7 | -52.9 | 165.2 | 0 | 0 | 0 | 109.9 | I91 L92 L95 A104 V106 I121 T131 C132 H133 P153 V157 | I91-I155 HydrophobicContact CG2-CD1 3.47Å; I91-I155 VanDerWaalsContact CG2-CD1 3.47Å; I91-I155 HydrophobicContact CG2-CG1 3.72Å; L92-I155 HydrophobicContact CD2-CD1 4.17Å; L95-I155 HydrophobicContact CD1-CD1 3.84Å; L95-I155 HydrophobicContact CD1-CG1 3.99Å; L95-I155 HydrophobicContact CD2-CG1 4.22Å; A104-I155 HydrophobicContact CB-CG1 4.36Å; A104-I155 HydrophobicContact CB-CG2 4.35Å; A104-I155 WeakPolarHBondContact O-CA 3.45Å; V106-I155 HydrophobicContact CG2-CG2 4.43Å; I121-I155 HydrophobicContact CD1-CD1 4.48Å; I121-I155 HydrophobicContact CD1-CG2 4.1Å; I121-I155 HydrophobicContact CG2-CD1 3.31Å; T131-I155 PolarHBondContact O-N 2.83Å; C132-I155 CarbonylContact C-O 3.55Å; C132-I155 VanDerWaalsContact CA-O 3.31Å; C132-I155 WeakPolarHBondContact CA-O 3.25Å; C132-I155 HydrophobicContact CB-CB 4.14Å; H133-I155 PolarHBondContact N-O 3.43Å; P153-I155 PolarHBondContact O-N 2.73Å; I155-V157 HydrophobicContact CG2-CG2 4.1Å |
| 156 | V | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129 | 166.3 | 173.8 | 0 | 0 | 0 | 0 | 109 | T102 A104 L105 V106 C135 L148 P153 L172 | T102-V156 HydrophobicContact CG2-CB 4.18Å; T102-V156 HydrophobicContact CG2-CG2 3.75Å; A104-V156 PolarHBondContact O-N 2.95Å; L105-V156 CarbonylContact C-O 3.49Å; L105-V156 WeakPolarHBondContact CA-O 2.95Å; L105-V156 HydrophobicContact CD1-CB 4.01Å; L105-V156 HydrophobicContact CD1-CG1 3.88Å; V106-V156 PolarHBondContact N-O 2.87Å; C135-V156 HydrophobicContact CB-CG1 3.8Å; L148-V156 HydrophobicContact CD2-CG2 4.25Å; P153-V156 HydrophobicContact CG-CG2 3.78Å; V156-L172 HydrophobicContact CB-CD2 4.42Å; V156-L172 HydrophobicContact CG1-CD2 4.16Å; V156-L172 HydrophobicContact CG2-CD1 3.84Å; V156-L172 HydrophobicContact CG2-CD2 4.35Å |
| 157 | V | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.9 | 172.7 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | V106 A114 I117 I121 C132 H133 A134 C135 I155 | V106-V157 HydrophobicContact CB-CB 4.31Å; V106-V157 HydrophobicContact CB-CG1 4.13Å; V106-V157 HydrophobicContact CB-CG2 4Å; V106-V157 HydrophobicContact CG1-CG1 4.28Å; V106-V157 HydrophobicContact CG2-CG2 4.15Å; V106-V157 CarbonylContact O-C 3.59Å; V106-V157 VanDerWaalsContact O-CA 3.29Å; V106-V157 WeakPolarHBondContact O-CA 3.21Å; A114-V157 HydrophobicContact CB-CG1 3.99Å; A114-V157 WeakPolarHBondContact O-CG1 3.38Å; I117-V157 HydrophobicContact CB-CG1 3.89Å; I117-V157 HydrophobicContact CD1-CG1 4.27Å; I117-V157 HydrophobicContact CG2-CB 4.48Å; I117-V157 HydrophobicContact CG2-CG1 3.76Å; I117-V157 HydrophobicContact CG2-CG2 3.88Å; I121-V157 HydrophobicContact CD1-CG2 3.83Å; C132-V157 VanDerWaalsContact SG-CG2 3.58Å; H133-V157 PolarHBondContact O-N 3.13Å; A134-V157 CarbonylContact C-O 3.21Å; A134-V157 WeakPolarHBondContact CA-O 3.26Å; C135-V157 PolarHBondContact N-O 3Å; I155-V157 HydrophobicContact CG2-CG2 4.1Å |
| 158 | G | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.9 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | V106 L107 A108 C135 | V106-G158 PolarHBondContact O-N 3.41Å; L107-G158 WeakPolarHBondContact CA-O 3.18Å; A108-G158 PolarHBondContact N-O 3.3Å; C135-G158 WeakPolarHBondContact O-CA 3.23Å |
| 159 | T | 94.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 34.1 Ų | 34.1 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | trans | -79.8 | 140.5 | 170.9 | 54.5 | 0 | 0 | 0 | 0 | 109.9 | A108 R111 C135 I136 G161 R162 V163 | A108-T159 WeakPolarHBondContact O-CA 3.49Å; R111-T159 HydrophobicContact CG-CG2 3.96Å; C135-T159 PolarHBondContact O-N 3.07Å; I136-T159 HydrophobicContact CG2-CG2 4.43Å; T159-G161 VanDerWaalsContact C-N 3.34Å; T159-G161 PolarHBondContact O-N 3.27Å; T159-R162 PolarHBondContact O-N 2.79Å; T159-R162 VanDerWaalsContact O-N 3.08Å; T159-V163 PolarHBondContact O-N 3.39Å; T159-V163 VanDerWaalsContact O-N 3.11Å | ||
| 160 | P | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -48.6 | -49.2 | -174.4 | -31 | 34.4 | 0 | 0 | 0 | 114 | L107 A108 R162 V163 F164 M188 F193 Q196 I197 I200 | L107-P160 HydrophobicContact CB-CG 4.46Å; L107-P160 HydrophobicContact CD1-CG 4.3Å; A108-P160 WeakPolarHBondContact O-CD 3.46Å; P160-R162 PolarHBondContact O-N 2.78Å; P160-V163 PolarHBondContact O-N 3.4Å; P160-F164 VanDerWaalsContact O-CB 3.27Å; P160-F164 WeakPolarHBondContact O-CB 3.14Å; P160-F164 PolarHBondContact O-N 2.96Å; P160-M188 HydrophobicContact CG-SD 3.9Å; P160-F193 HydrophobicContact CB-CB 4.11Å; P160-F193 HydrophobicContact CB-CD1 4.09Å; P160-F193 HydrophobicContact CB-CG 4.05Å; P160-F193 HydrophobicContact CG-CB 3.94Å; P160-F193 HydrophobicContact CG-CD1 4.3Å; P160-F193 HydrophobicContact CG-CD2 3.94Å; P160-F193 HydrophobicContact CG-CG 3.83Å; P160-Q196 HydrophobicContact CB-CB 4.1Å; P160-I197 HydrophobicContact CG-CG1 4.35Å; P160-I200 HydrophobicContact CB-CD1 4.32Å |
| 161 | G | 94.3 | Very high | 93.8 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 38% | 0.381 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.2 | -38.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T159 D165 | T159-G161 VanDerWaalsContact C-N 3.34Å; T159-G161 PolarHBondContact O-N 3.27Å; G161-D165 PolarHBondContact O-N 3.12Å |
| 162 | R | 93.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 32.5 Ų | 32.5 | 10% | 0.102 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.8 | -40.2 | 179.5 | 177.5 | 57.8 | 70.8 | 97.3 | -1.2 | 111.7 | C135 I136 T139 T159 P160 F164 D165 M166 | C135-R162 VanDerWaalsContact SG-CG 3.58Å; I136-R162 PolarHBondContact O-NH1 3.29Å; T139-R162 PolarHBondContact O-NH1 3.49Å; T139-R162 PolarHBondContact O-NH2 2.91Å; T139-R162 PolarHBondContact OG1-NH1 3.33Å; T159-R162 PolarHBondContact O-N 2.79Å; T159-R162 VanDerWaalsContact O-N 3.08Å; P160-R162 PolarHBondContact O-N 2.78Å; R162-F164 VanDerWaalsContact C-N 3.32Å; R162-F164 PolarHBondContact O-N 3.2Å; R162-D165 PolarHBondContact O-N 3.42Å; R162-M166 WeakPolarHBondContact O-CG 3.41Å; R162-M166 PolarHBondContact O-N 2.98Å |
| 163 | V | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -46.1 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | L105 L107 C135 T159 P160 D165 M166 L167 L172 I200 | L105-V163 HydrophobicContact CD1-CG1 3.75Å; L105-V163 HydrophobicContact CD1-CG2 4.31Å; L105-V163 HydrophobicContact CD2-CG1 3.97Å; L105-V163 HydrophobicContact CG-CG1 4.43Å; L107-V163 HydrophobicContact CD2-CB 4.01Å; L107-V163 HydrophobicContact CD2-CG1 3.97Å; L107-V163 HydrophobicContact CD2-CG2 3.84Å; C135-V163 HydrophobicContact CB-CG2 4.2Å; T159-V163 PolarHBondContact O-N 3.39Å; T159-V163 VanDerWaalsContact O-N 3.11Å; P160-V163 PolarHBondContact O-N 3.4Å; V163-D165 VanDerWaalsContact C-N 3.35Å; V163-D165 PolarHBondContact O-N 3.34Å; V163-M166 PolarHBondContact O-N 3.12Å; V163-L167 HydrophobicContact CG1-CD1 3.92Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.49Å; V163-L172 HydrophobicContact CG1-CD2 4.45Å; V163-I200 HydrophobicContact CB-CD1 4.22Å; V163-I200 HydrophobicContact CG1-CD1 4.01Å; V163-I200 HydrophobicContact CG1-CG1 4.47Å |
| 164 | F | 95.5 | Very high | 94.6 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 17% | 0.167 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -45.3 | 176.7 | 177.5 | -117.9 | 0 | 0 | 0 | 112.3 | P160 R162 M166 L167 N168 E199 I200 | P160-F164 VanDerWaalsContact O-CB 3.27Å; P160-F164 WeakPolarHBondContact O-CB 3.14Å; P160-F164 PolarHBondContact O-N 2.96Å; R162-F164 VanDerWaalsContact C-N 3.32Å; R162-F164 PolarHBondContact O-N 3.2Å; F164-M166 PolarHBondContact O-N 3.47Å; F164-L167 PolarHBondContact O-N 2.93Å; F164-N168 WeakPolarHBondContact CD1-ND2 3.2Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.4Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.36Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.48Å; F164-N168 WeakPolarHBondContact O-CB 3.42Å; F164-N168 PolarHBondContact O-N 3.17Å; F164-E199 HydrophobicContact CD2-CB 3.99Å; F164-E199 WeakPolarHBondContact CE1-OE2 3.49Å; F164-E199 HydrophobicContact CE2-CB 3.45Å; F164-E199 VanDerWaalsContact CE2-CB 3.45Å; F164-E199 HydrophobicContact CE2-CG 4.23Å; F164-E199 WeakPolarHBondContact CE2-OE2 3.49Å; F164-E199 HydrophobicContact CZ-CB 4.03Å; F164-E199 VanDerWaalsContact CZ-CD 3.44Å; F164-E199 HydrophobicContact CZ-CG 4.33Å; F164-E199 WeakPolarHBondContact CZ-OE2 3.39Å; F164-I200 HydrophobicContact CB-CD1 4.1Å; F164-I200 HydrophobicContact CB-CG1 3.92Å; F164-I200 HydrophobicContact CD2-CG1 4.19Å |
| 165 | D | 93.7 | Very high | 94.5 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -44.1 | 175.8 | -173.4 | 47.9 | 0 | 0 | 0 | 111.7 | G161 R162 V163 N168 R169 | G161-D165 PolarHBondContact O-N 3.12Å; R162-D165 PolarHBondContact O-N 3.42Å; V163-D165 VanDerWaalsContact C-N 3.35Å; V163-D165 PolarHBondContact O-N 3.34Å; D165-N168 PolarHBondContact O-N 2.87Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 VanDerWaalsContact O-CG 3.32Å; D165-R169 WeakPolarHBondContact O-CG 3.39Å; D165-R169 PolarHBondContact O-N 2.97Å; D165-R169 IonicContact OD1-CZ 2.7Å; D165-R169 IonicContact OD1-NE 2.63Å; D165-R169 PolarHBondContact OD1-NE 3.49Å; D165-R169 IonicContact OD1-NH2 2.81Å; D165-R169 PolarHBondContact OD1-NH2 3.35Å; D165-R169 VanDerWaalsContact OD1-NH2 3.11Å; D165-R169 IonicContact OD2-CZ 3.84Å; D165-R169 IonicContact OD2-NE 3.45Å; D165-R169 PolarHBondContact OD2-NE 2.97Å; D165-R169 IonicContact OD2-NH2 2.88Å; D165-R169 PolarHBondContact OD2-NH2 3.11Å |
| 166 | M | 93.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67 | -37.7 | 178.9 | -66 | -54.2 | 93 | 0 | 0 | 112.9 | C135 V141 E144 L148 R162 V163 F164 R170 Y171 L172 | C135-M166 WeakPolarHBondContact SG-CG 3.38Å; V141-M166 HydrophobicContact CG1-CE 4.02Å; E144-M166 HydrophobicContact CG-SD 4Å; L148-M166 HydrophobicContact CD1-CB 4.24Å; L148-M166 HydrophobicContact CD1-CG 3.95Å; L148-M166 HydrophobicContact CD1-SD 4.16Å; R162-M166 WeakPolarHBondContact O-CG 3.41Å; R162-M166 PolarHBondContact O-N 2.98Å; V163-M166 PolarHBondContact O-N 3.12Å; F164-M166 PolarHBondContact O-N 3.47Å; M166-R170 PolarHBondContact O-N 3.13Å; M166-Y171 HydrophobicContact CE-CD2 4.29Å; M166-Y171 PolarHBondContact O-N 3.48Å; M166-Y171 HydrophobicContact SD-CD2 4.05Å; M166-L172 HydrophobicContact CB-CB 4.04Å; M166-L172 PolarHBondContact O-N 3.5Å; M166-L172 VanDerWaalsContact O-N 3.1Å |
| 167 | L | 94.2 | Very high | 94.3 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 173.8 | -73.1 | 168.1 | 0 | 0 | 0 | 111.6 | V163 F164 R169 R170 L172 P174 I200 K203 | V163-L167 HydrophobicContact CG1-CD1 3.92Å; V163-L167 HydrophobicContact CG1-CG 4.45Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 3.49Å; F164-L167 PolarHBondContact O-N 2.93Å; L167-R169 PolarHBondContact O-N 3.41Å; L167-R170 PolarHBondContact O-N 2.93Å; L167-R170 VanDerWaalsContact O-N 3.08Å; L167-L172 HydrophobicContact CD2-CB 4.04Å; L167-L172 HydrophobicContact CD2-CD2 3.91Å; L167-L172 HydrophobicContact CD2-CG 3.79Å; L167-L172 HydrophobicContact CG-CB 4.38Å; L167-L172 HydrophobicContact CG-CD2 4.08Å; L167-L172 HydrophobicContact CG-CG 4.38Å; L167-P174 HydrophobicContact CD2-CB 4.09Å; L167-P174 HydrophobicContact CD2-CG 4.41Å; L167-I200 HydrophobicContact CD1-CB 4.38Å; L167-I200 HydrophobicContact CD1-CG1 4.13Å; L167-I200 HydrophobicContact CD1-CG2 3.89Å; L167-K203 HydrophobicContact CB-CD 3.88Å; L167-K203 HydrophobicContact CD1-CD 4.41Å |
| 168 | N | 93.7 | Very high | 94.3 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 179.9 | -85 | -23.4 | 0 | 0 | 0 | 112.8 | F164 D165 R170 K203 | F164-N168 WeakPolarHBondContact CD1-ND2 3.2Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.4Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.36Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.48Å; F164-N168 WeakPolarHBondContact O-CB 3.42Å; F164-N168 PolarHBondContact O-N 3.17Å; D165-N168 PolarHBondContact O-N 2.87Å; N168-R170 PolarHBondContact O-N 3.24Å; N168-K203 WeakPolarHBondContact OD1-CE 3.32Å; N168-K203 PolarHBondContact OD1-NZ 3.38Å |
| 169 | R | 91.4 | Very high | 94.4 | Very high | 127 Ų | 127 | 50.4 Ų | 50.4 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -0.2 | 177.4 | -61.9 | -177.1 | -167.3 | -150.2 | 4.7 | 113.3 | D165 L167 Y171 | D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 VanDerWaalsContact O-CG 3.32Å; D165-R169 WeakPolarHBondContact O-CG 3.39Å; D165-R169 PolarHBondContact O-N 2.97Å; D165-R169 IonicContact OD1-CZ 2.7Å; D165-R169 IonicContact OD1-NE 2.63Å; D165-R169 PolarHBondContact OD1-NE 3.49Å; D165-R169 IonicContact OD1-NH2 2.81Å; D165-R169 PolarHBondContact OD1-NH2 3.35Å; D165-R169 VanDerWaalsContact OD1-NH2 3.11Å; D165-R169 IonicContact OD2-CZ 3.84Å; D165-R169 IonicContact OD2-NE 3.45Å; D165-R169 PolarHBondContact OD2-NE 2.97Å; D165-R169 IonicContact OD2-NH2 2.88Å; D165-R169 PolarHBondContact OD2-NH2 3.11Å; L167-R169 PolarHBondContact O-N 3.41Å; R169-Y171 HydrophobicContact CB-CD2 3.4Å; R169-Y171 HydrophobicContact CB-CE2 3.3Å; R169-Y171 HydrophobicContact CB-CG 4.22Å; R169-Y171 VanDerWaalsContact CD-CE2 3.47Å; R169-Y171 HydrophobicContact CG-CD2 4.36Å; R169-Y171 HydrophobicContact CG-CE2 4.03Å; R169-Y171 PolarHBondContact O-N 3.15Å |
| 170 | R | 91.4 | Very high | 94.6 | Very high | 225 Ų | 225 | 49.7 Ų | 49.7 | 85% | 0.849 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 27.4 | -179.7 | -50.7 | 179.7 | 179.3 | -174.6 | -1.6 | 113.8 | M166 L167 N168 | M166-R170 PolarHBondContact O-N 3.13Å; L167-R170 PolarHBondContact O-N 2.93Å; L167-R170 VanDerWaalsContact O-N 3.08Å; N168-R170 PolarHBondContact O-N 3.24Å |
| 171 | Y | 90.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 49.7 Ų | 49.7 | 24% | 0.239 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -84.2 | -23.4 | 170.7 | -57.9 | -47 | 0 | 0 | 0 | 112.3 | M145 M166 R169 | M145-Y171 HydrophobicContact CB-CD2 4.48Å; M145-Y171 HydrophobicContact CB-CG 4.45Å; M145-Y171 HydrophobicContact CE-CD1 4.26Å; M145-Y171 HydrophobicContact CE-CD2 4.46Å; M145-Y171 HydrophobicContact CE-CE1 3.48Å; M145-Y171 VanDerWaalsContact CE-CE1 3.48Å; M145-Y171 HydrophobicContact CE-CE2 3.66Å; M145-Y171 WeakPolarHBondContact CE-OH 3.43Å; M145-Y171 HydrophobicContact CG-CD1 4.13Å; M145-Y171 HydrophobicContact CG-CD2 3.38Å; M145-Y171 HydrophobicContact CG-CE1 4.19Å; M145-Y171 HydrophobicContact CG-CE2 3.37Å; M145-Y171 HydrophobicContact CG-CG 3.77Å; M145-Y171 HydrophobicContact SD-CD2 3.96Å; M145-Y171 HydrophobicContact SD-CE1 4.22Å; M145-Y171 HydrophobicContact SD-CE2 3.27Å; M145-Y171 WeakPolarHBondContact SD-CE2 3.49Å; M166-Y171 HydrophobicContact CE-CD2 4.29Å; M166-Y171 PolarHBondContact O-N 3.48Å; M166-Y171 HydrophobicContact SD-CD2 4.05Å; R169-Y171 HydrophobicContact CB-CD2 3.4Å; R169-Y171 HydrophobicContact CB-CE2 3.3Å; R169-Y171 HydrophobicContact CB-CG 4.22Å; R169-Y171 VanDerWaalsContact CD-CE2 3.47Å; R169-Y171 HydrophobicContact CG-CD2 4.36Å; R169-Y171 HydrophobicContact CG-CE2 4.03Å; R169-Y171 PolarHBondContact O-N 3.15Å |
| 172 | L | 93.2 | Very high | 94.8 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -109.7 | 123 | 167 | -180 | 56.9 | 0 | 0 | 0 | 108.9 | T102 L105 V156 V163 M166 L167 | T102-L172 HydrophobicContact CG2-CD1 4.14Å; L105-L172 HydrophobicContact CD1-CD2 4.44Å; V156-L172 HydrophobicContact CB-CD2 4.42Å; V156-L172 HydrophobicContact CG1-CD2 4.16Å; V156-L172 HydrophobicContact CG2-CD1 3.84Å; V156-L172 HydrophobicContact CG2-CD2 4.35Å; V163-L172 HydrophobicContact CG1-CD2 4.45Å; M166-L172 HydrophobicContact CB-CB 4.04Å; M166-L172 PolarHBondContact O-N 3.5Å; M166-L172 VanDerWaalsContact O-N 3.1Å; L167-L172 HydrophobicContact CD2-CB 4.04Å; L167-L172 HydrophobicContact CD2-CD2 3.91Å; L167-L172 HydrophobicContact CD2-CG 3.79Å; L167-L172 HydrophobicContact CG-CB 4.38Å; L167-L172 HydrophobicContact CG-CD2 4.08Å; L167-L172 HydrophobicContact CG-CG 4.38Å |
| 173 | S | 93.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | trans | -86.7 | 123 | 175.3 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | K175 | S173-K175 VanDerWaalsContact C-N 3.26Å; S173-K175 PolarHBondContact O-N 3.01Å; S173-K175 WeakPolarHBondContact OG-CB 3.45Å; S173-K175 PolarHBondContact OG-N 3.25Å | ||
| 174 | P | 95.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 25% | 0.247 | 21% | 0.209 | C | C | . | . | trans | -81.7 | -5.5 | 175.6 | 33.4 | -35.2 | 0 | 0 | 0 | 113.4 | L167 W176 I177 K203 L204 | L167-P174 HydrophobicContact CD2-CB 4.09Å; L167-P174 HydrophobicContact CD2-CG 4.41Å; P174-W176 VanDerWaalsContact C-N 3.25Å; P174-W176 PolarHBondContact O-N 3.38Å; P174-W176 VanDerWaalsContact O-N 3.13Å; P174-I177 HydrophobicContact CB-CD1 4.36Å; P174-I177 PolarHBondContact O-N 3.29Å; P174-K203 VanDerWaalsContact CB-O 3.27Å; P174-K203 WeakPolarHBondContact CB-O 3.19Å; P174-K203 WeakPolarHBondContact CG-O 3.4Å; P174-L204 HydrophobicContact CB-CD2 4.04Å | ||
| 175 | K | 95.1 | Very high | 94.5 | Very high | 139 Ų | 139 | 45.6 Ų | 45.6 | 60% | 0.604 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -39.2 | -166.9 | -177.4 | 179.2 | 175.4 | -174.2 | 0 | 113.5 | S173 | S173-K175 VanDerWaalsContact C-N 3.26Å; S173-K175 PolarHBondContact O-N 3.01Å; S173-K175 WeakPolarHBondContact OG-CB 3.45Å; S173-K175 PolarHBondContact OG-N 3.25Å |
| 176 | W | 95.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 44 Ų | 44 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 4.1 | -171.8 | -59.2 | 118.8 | 0 | 0 | 0 | 113.8 | F99 E101 T102 Q103 P174 K178 | F99-W176 HydrophobicContact CE1-CB 3.97Å; F99-W176 AromaticContact CE1-CD1 3.92Å; F99-W176 AromaticContact CE1-CD2 3.53Å; F99-W176 HydrophobicContact CE1-CD2 3.53Å; F99-W176 AromaticContact CE1-CE2 3.88Å; F99-W176 AromaticContact CE1-CE3 3.9Å; F99-W176 HydrophobicContact CE1-CE3 3.9Å; F99-W176 AromaticContact CE1-CG 3.56Å; F99-W176 HydrophobicContact CE1-CG 3.56Å; F99-W176 AromaticContact CZ-CD1 3.93Å; F99-W176 AromaticContact CZ-CD2 3.66Å; F99-W176 HydrophobicContact CZ-CD2 3.66Å; F99-W176 AromaticContact CZ-CE2 3.47Å; F99-W176 VanDerWaalsContact CZ-CE2 3.47Å; F99-W176 HydrophobicContact CZ-CE3 4.17Å; F99-W176 AromaticContact CZ-CG 3.94Å; F99-W176 HydrophobicContact CZ-CG 3.94Å; F99-W176 HydrophobicContact CZ-CH2 4.33Å; F99-W176 AromaticContact CZ-CZ2 3.83Å; F99-W176 HydrophobicContact CZ-CZ2 3.83Å; F99-W176 HydrophobicContact CZ-CZ3 4.49Å; F99-W176 AromaticContact CZ-NE1 3.62Å; E101-W176 HydrophobicContact CB-CB 4.04Å; E101-W176 HydrophobicContact CB-CG 4.07Å; E101-W176 VanDerWaalsContact CG-CD1 3.48Å; E101-W176 HydrophobicContact CG-CG 4.26Å; T102-W176 CarbonylContact O-C 3.38Å; Q103-W176 WeakPolarHBondContact CA-O 3.47Å; P174-W176 VanDerWaalsContact C-N 3.25Å; P174-W176 PolarHBondContact O-N 3.38Å; P174-W176 VanDerWaalsContact O-N 3.13Å; W176-K178 PolarHBondContact O-N 2.94Å |
| 177 | I | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -71.4 | 115.1 | 178.4 | -55.5 | -178.2 | 0 | 0 | 0 | 108 | T102 Q103 L105 P174 M179 L204 N205 I208 | T102-I177 HydrophobicContact CG2-CD1 4.27Å; T102-I177 HydrophobicContact CG2-CG1 4.13Å; T102-I177 WeakPolarHBondContact O-CG1 3.34Å; T102-I177 PolarHBondContact O-N 2.96Å; Q103-I177 CarbonylContact O-C 3.58Å; Q103-I177 WeakPolarHBondContact O-CA 3.33Å; L105-I177 HydrophobicContact CB-CD1 4.22Å; L105-I177 HydrophobicContact CB-CG2 3.92Å; P174-I177 HydrophobicContact CB-CD1 4.36Å; P174-I177 PolarHBondContact O-N 3.29Å; I177-M179 WeakPolarHBondContact CG2-O 3.39Å; I177-L204 HydrophobicContact CB-CD2 4.44Å; I177-L204 HydrophobicContact CD1-CD2 4.03Å; I177-L204 HydrophobicContact CG2-CD2 4.39Å; I177-N205 PolarHBondContact O-ND2 2.92Å; I177-I208 HydrophobicContact CB-CD1 4.41Å; I177-I208 HydrophobicContact CG2-CD1 3.85Å; I177-I208 WeakPolarHBondContact O-CD1 3.46Å | ||
| 178 | K | 97.2 | Very high | 93.9 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 38% | 0.378 | 19% | 0.193 | S | C | . | . | trans | -103.2 | -23.3 | -179 | -62.7 | 174.6 | -171.8 | 175.1 | 0 | 112.5 | E96 Q103 W176 I208 Q209 | E96-K178 IonicContact OE1-NZ 2.66Å; E96-K178 PolarHBondContact OE1-NZ 2.88Å; Q103-K178 PolarHBondContact O-N 3.45Å; W176-K178 PolarHBondContact O-N 2.94Å; K178-I208 WeakPolarHBondContact O-CD1 3.19Å; K178-Q209 PolarHBondContact O-N 3.32Å | ||
| 179 | M | 98.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.9 | 178.2 | -175.8 | -178.1 | -83.3 | 0 | 0 | 111.9 | I91 Q103 A104 L105 I177 V181 Q209 V211 | I91-M179 HydrophobicContact CB-SD 4.33Å; I91-M179 HydrophobicContact CD1-SD 4.4Å; I91-M179 HydrophobicContact CG1-SD 3.33Å; I91-M179 WeakPolarHBondContact CG1-SD 3.27Å; Q103-M179 PolarHBondContact O-N 3.32Å; A104-M179 WeakPolarHBondContact CA-O 3.27Å; A104-M179 HydrophobicContact CB-CB 4.33Å; L105-M179 PolarHBondContact N-O 2.75Å; I177-M179 WeakPolarHBondContact CG2-O 3.39Å; M179-V181 HydrophobicContact CG-CG2 3.86Å; M179-V181 HydrophobicContact SD-CG2 3.82Å; M179-Q209 WeakPolarHBondContact CA-O 3.24Å; M179-V211 HydrophobicContact CE-CG2 4.27Å; M179-V211 HydrophobicContact CG-CG2 4.49Å; M179-V211 HydrophobicContact SD-CG2 4.38Å |
| 180 | F | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.8 | 175.4 | -178.3 | -130.7 | 0 | 0 | 0 | 110.3 | L105 L107 L182 I197 I200 F201 L204 I208 Q209 V210 V211 | L105-F180 HydrophobicContact CB-CD2 4.14Å; L105-F180 HydrophobicContact CD2-CD2 3.9Å; L105-F180 HydrophobicContact CD2-CE2 3.83Å; L105-F180 HydrophobicContact CG-CD2 4.01Å; L105-F180 HydrophobicContact CG-CE2 4.14Å; L105-F180 CarbonylContact O-C 3.52Å; L105-F180 WeakPolarHBondContact O-CA 3.46Å; L107-F180 HydrophobicContact CD1-CE2 3.63Å; L107-F180 HydrophobicContact CD1-CZ 3.55Å; L107-F180 HydrophobicContact CD2-CE2 4.43Å; L107-F180 HydrophobicContact CG-CE2 3.67Å; L107-F180 HydrophobicContact CG-CZ 4.09Å; F180-L182 HydrophobicContact CE1-CD1 4.32Å; F180-L182 HydrophobicContact CE1-CD2 3.91Å; F180-L182 HydrophobicContact CE1-CG 4.12Å; F180-L182 HydrophobicContact CE2-CD2 4.39Å; F180-L182 HydrophobicContact CZ-CD2 3.69Å; F180-L182 HydrophobicContact CZ-CG 4.35Å; F180-I197 HydrophobicContact CZ-CG2 4.42Å; F180-I200 HydrophobicContact CE2-CG2 3.94Å; F180-I200 HydrophobicContact CZ-CG2 4.05Å; F180-F201 AromaticContact CD1-CD2 3.99Å; F180-F201 HydrophobicContact CD1-CD2 3.99Å; F180-F201 HydrophobicContact CE1-CB 4.46Å; F180-F201 HydrophobicContact CE1-CD2 4.09Å; F180-L204 HydrophobicContact CB-CD1 3.81Å; F180-L204 HydrophobicContact CD1-CD1 4.01Å; F180-L204 HydrophobicContact CD2-CD1 3.73Å; F180-L204 HydrophobicContact CE1-CD1 4.48Å; F180-L204 HydrophobicContact CE2-CD1 4.22Å; F180-L204 HydrophobicContact CG-CD1 3.59Å; F180-I208 HydrophobicContact CB-CD1 4.24Å; F180-I208 HydrophobicContact CB-CG1 3.73Å; F180-Q209 PolarHBondContact N-O 2.75Å; F180-V210 HydrophobicContact CD1-CG1 4.28Å; F180-V210 CarbonylContact O-C 3.41Å; F180-V210 WeakPolarHBondContact O-CA 3.05Å; F180-V211 PolarHBondContact O-N 3.14Å |
| 181 | V | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.4 | -175.9 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | F87 I91 L105 V106 L107 M179 V211 L213 | F87-V181 HydrophobicContact CB-CG1 4.04Å; F87-V181 HydrophobicContact CD1-CG1 4.13Å; F87-V181 HydrophobicContact CD2-CG1 4.04Å; F87-V181 HydrophobicContact CG-CG1 3.84Å; I91-V181 HydrophobicContact CD1-CG2 3.98Å; I91-V181 HydrophobicContact CG1-CG2 4.31Å; L105-V181 PolarHBondContact O-N 2.76Å; V106-V181 CarbonylContact C-O 3.56Å; V106-V181 WeakPolarHBondContact CA-O 3.38Å; V106-V181 HydrophobicContact CB-CB 4.31Å; V106-V181 HydrophobicContact CG1-CB 4.07Å; V106-V181 HydrophobicContact CG1-CG1 4.18Å; V106-V181 HydrophobicContact CG2-CB 4.05Å; V106-V181 HydrophobicContact CG2-CG2 4.3Å; L107-V181 PolarHBondContact N-O 3.27Å; M179-V181 HydrophobicContact CG-CG2 3.86Å; M179-V181 HydrophobicContact SD-CG2 3.82Å; V181-V211 CarbonylContact C-O 3.55Å; V181-V211 VanDerWaalsContact CA-O 3.26Å; V181-V211 WeakPolarHBondContact CA-O 3.43Å; V181-V211 HydrophobicContact CG1-CB 4.42Å; V181-V211 HydrophobicContact CG2-CB 4.19Å; V181-L213 HydrophobicContact CG1-CD1 3.56Å |
| 182 | L | 96.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 99.9 | 173.1 | -62.9 | 169.6 | 0 | 0 | 0 | 108.4 | L107 F180 A185 M188 I197 V211 L212 L213 V224 | L107-L182 HydrophobicContact CB-CD2 4.09Å; L107-L182 HydrophobicContact CD1-CD2 3.85Å; L107-L182 HydrophobicContact CG-CD2 4.26Å; F180-L182 HydrophobicContact CE1-CD1 4.32Å; F180-L182 HydrophobicContact CE1-CD2 3.91Å; F180-L182 HydrophobicContact CE1-CG 4.12Å; F180-L182 HydrophobicContact CE2-CD2 4.39Å; F180-L182 HydrophobicContact CZ-CD2 3.69Å; F180-L182 HydrophobicContact CZ-CG 4.35Å; L182-A185 HydrophobicContact CB-CB 4.24Å; L182-M188 HydrophobicContact CB-CE 3.73Å; L182-M188 HydrophobicContact CD2-CE 3.67Å; L182-M188 HydrophobicContact CG-CE 4.31Å; L182-I197 HydrophobicContact CD1-CG2 4.35Å; L182-I197 HydrophobicContact CD2-CD1 4.35Å; L182-I197 HydrophobicContact CD2-CG1 4.4Å; L182-I197 HydrophobicContact CD2-CG2 3.87Å; L182-V211 PolarHBondContact N-O 2.68Å; L182-L212 HydrophobicContact CB-CG 4.36Å; L182-L212 HydrophobicContact CD1-CD1 4.11Å; L182-L213 PolarHBondContact O-N 2.78Å; L182-V224 HydrophobicContact CD1-CG1 4.19Å |
| 183 | D | 94.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.5 | 174.3 | -165.6 | 19.5 | 0 | 0 | 0 | 110.4 | F87 L107 P109 I117 A185 M188 | F87-D183 HydrophobicContact CE1-CB 3.99Å; F87-D183 HydrophobicContact CZ-CB 4.26Å; L107-D183 PolarHBondContact O-N 3.05Å; P109-D183 WeakPolarHBondContact CD-O 3.26Å; I117-D183 HydrophobicContact CD1-CB 4.19Å; I117-D183 WeakPolarHBondContact CD1-OD2 3.06Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-M188 WeakPolarHBondContact O-CE 3.33Å |
| 184 | E | 90.4 | Very high | 93 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 52.4 | -172.3 | -57.7 | -171.2 | 159.6 | 0 | 0 | 112.8 | P109 L113 D186 E187 M188 L213 R335 G336 | P109-E184 HydrophobicContact CG-CB 3.89Å; P109-E184 WeakPolarHBondContact CG-OE2 3.39Å; L113-E184 HydrophobicContact CD2-CG 3.98Å; L113-E184 VanDerWaalsContact CD2-OE2 3.32Å; L113-E184 WeakPolarHBondContact CD2-OE2 3.32Å; E184-D186 VanDerWaalsContact C-N 3.29Å; E184-D186 PolarHBondContact O-N 3.06Å; E184-E187 HydrophobicContact CB-CB 4.11Å; E184-E187 WeakPolarHBondContact O-CA 3.5Å; E184-E187 WeakPolarHBondContact O-CB 3.37Å; E184-E187 PolarHBondContact O-N 2.6Å; E184-M188 PolarHBondContact O-N 2.98Å; E184-M188 VanDerWaalsContact O-N 3.1Å; E184-L213 PolarHBondContact N-O 3.22Å; E184-R335 WeakPolarHBondContact OE2-CB 3.46Å; E184-G336 WeakPolarHBondContact OE1-CA 3.31Å; E184-G336 PolarHBondContact OE1-N 3.22Å |
| 185 | A | 92.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -38.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L182 D183 E187 M188 L189 L212 L213 | L182-A185 HydrophobicContact CB-CB 4.24Å; D183-A185 PolarHBondContact O-N 3.31Å; A185-E187 PolarHBondContact O-N 3.36Å; A185-M188 HydrophobicContact CB-CE 4.44Å; A185-M188 PolarHBondContact O-N 3.07Å; A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.29Å; A185-L189 PolarHBondContact O-N 2.9Å; A185-L212 HydrophobicContact CB-CD1 3.74Å; A185-L212 HydrophobicContact CB-CD2 3.86Å; A185-L212 HydrophobicContact CB-CG 3.61Å; A185-L213 PolarHBondContact N-O 3.32Å; A185-L213 VanDerWaalsContact N-O 3.13Å |
| 186 | D | 89.6 | Confident | 92.8 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.032 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.9 | -38 | 172.7 | 58.4 | -36.1 | 0 | 0 | 0 | 112.4 | E184 S190 S214 T216 P218 V221 R335 H359 | E184-D186 VanDerWaalsContact C-N 3.29Å; E184-D186 PolarHBondContact O-N 3.06Å; D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.93Å; D186-S214 VanDerWaalsContact CB-OG 3.27Å; D186-S214 WeakPolarHBondContact CB-OG 3.49Å; D186-S214 PolarHBondContact OD1-OG 3.1Å; D186-T216 VanDerWaalsContact CB-OG1 3.27Å; D186-T216 WeakPolarHBondContact CB-OG1 3.19Å; D186-T216 PolarHBondContact OD2-OG1 2.93Å; D186-P218 HydrophobicContact CB-CG 4.33Å; D186-V221 VanDerWaalsContact CA-CG2 3.46Å; D186-V221 HydrophobicContact CB-CG2 3.81Å; D186-R335 IonicContact OD1-NH1 3.83Å; D186-R335 PolarHBondContact OD1-NH1 3.22Å; D186-R335 IonicContact OD2-CZ 3.58Å; D186-R335 IonicContact OD2-NH1 3.72Å; D186-R335 PolarHBondContact OD2-NH1 3.26Å; D186-R335 IonicContact OD2-NH2 2.78Å; D186-H359 IonicContact OD2-CE1 2.87Å; D186-H359 IonicContact OD2-NE2 3.48Å; D186-H359 PolarHBondContact OD2-NE2 2.76Å |
| 187 | E | 87.9 | Confident | 92.7 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.6 | -41 | 177.6 | -173.3 | 60.1 | 169.8 | 0 | 0 | 112.3 | P109 E184 A185 L189 S190 R191 R335 | P109-E187 HydrophobicContact CB-CB 3.89Å; P109-E187 HydrophobicContact CB-CG 3.44Å; P109-E187 VanDerWaalsContact CB-CG 3.44Å; P109-E187 HydrophobicContact CG-CB 3.93Å; P109-E187 HydrophobicContact CG-CG 3.75Å; E184-E187 HydrophobicContact CB-CB 4.11Å; E184-E187 WeakPolarHBondContact O-CA 3.5Å; E184-E187 WeakPolarHBondContact O-CB 3.37Å; E184-E187 PolarHBondContact O-N 2.6Å; A185-E187 PolarHBondContact O-N 3.36Å; E187-L189 PolarHBondContact O-N 2.84Å; E187-S190 PolarHBondContact O-N 2.93Å; E187-S190 PolarHBondContact O-OG 3.37Å; E187-S190 PolarHBondContact OE2-OG 2.72Å; E187-R191 HydrophobicContact CG-CG 4.44Å; E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 VanDerWaalsContact O-CG 3.32Å; E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 3.49Å; E187-R191 IonicContact OE1-CZ 2.84Å; E187-R191 IonicContact OE1-NE 3.28Å; E187-R191 PolarHBondContact OE1-NE 2.86Å; E187-R191 IonicContact OE1-NH2 3.27Å; E187-R191 PolarHBondContact OE1-NH2 3.46Å; E187-R335 VanDerWaalsContact CD-CD 3.43Å; E187-R335 WeakPolarHBondContact OE2-CD 3.01Å; E187-R335 IonicContact OE2-CZ 3.91Å; E187-R335 IonicContact OE2-NE 3.83Å; E187-R335 PolarHBondContact OE2-NE 2.92Å; E187-R335 IonicContact OE2-NH1 3.37Å; E187-R335 PolarHBondContact OE2-NH1 3.35Å; E187-R335 IonicContact OE2-NH2 2.76Å; E187-R335 PolarHBondContact OE2-NH2 3.44Å |
| 188 | M | 91.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 179.4 | -68.2 | -169.1 | -74 | 0 | 0 | 110.6 | L107 P109 P160 L182 D183 E184 A185 R191 F193 I197 | L107-M188 HydrophobicContact CB-CE 4.21Å; L107-M188 HydrophobicContact CB-SD 3.74Å; P109-M188 HydrophobicContact CB-CG 3.8Å; P109-M188 HydrophobicContact CG-CG 4.35Å; P160-M188 HydrophobicContact CG-SD 3.9Å; L182-M188 HydrophobicContact CB-CE 3.73Å; L182-M188 HydrophobicContact CD2-CE 3.67Å; L182-M188 HydrophobicContact CG-CE 4.31Å; D183-M188 WeakPolarHBondContact O-CE 3.33Å; E184-M188 PolarHBondContact O-N 2.98Å; E184-M188 VanDerWaalsContact O-N 3.1Å; A185-M188 HydrophobicContact CB-CE 4.44Å; A185-M188 PolarHBondContact O-N 3.07Å; M188-R191 PolarHBondContact O-N 2.82Å; M188-F193 HydrophobicContact CB-CB 4.32Å; M188-F193 HydrophobicContact CB-CD2 4.19Å; M188-F193 HydrophobicContact CG-CD2 4.44Å; M188-F193 VanDerWaalsContact O-CB 3.25Å; M188-F193 WeakPolarHBondContact O-CB 3.2Å; M188-F193 PolarHBondContact O-N 2.87Å; M188-I197 HydrophobicContact CB-CD1 3.77Å; M188-I197 HydrophobicContact CE-CD1 4.24Å; M188-I197 HydrophobicContact SD-CD1 4.2Å |
| 189 | L | 91.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.9 | -41.7 | 176.8 | -60.6 | 178.9 | 0 | 0 | 0 | 112.5 | A185 E187 R191 G192 K194 I197 D220 V221 V224 | A185-L189 VanDerWaalsContact O-CG 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.29Å; A185-L189 PolarHBondContact O-N 2.9Å; E187-L189 PolarHBondContact O-N 2.84Å; L189-R191 PolarHBondContact O-N 2.96Å; L189-G192 PolarHBondContact O-N 2.73Å; L189-K194 HydrophobicContact CD2-CB 3.82Å; L189-K194 HydrophobicContact CD2-CG 4.02Å; L189-I197 HydrophobicContact CD2-CD1 4.22Å; L189-D220 VanDerWaalsContact CD1-C 3.49Å; L189-D220 HydrophobicContact CD1-CB 4Å; L189-D220 WeakPolarHBondContact CD1-O 3.27Å; L189-V221 HydrophobicContact CD1-CB 4.27Å; L189-V221 HydrophobicContact CD1-CG2 3.7Å; L189-V224 HydrophobicContact CD1-CB 4.39Å; L189-V224 HydrophobicContact CD1-CG2 3.68Å; L189-V224 HydrophobicContact CD2-CG2 3.85Å; L189-V224 HydrophobicContact CG-CG2 4.39Å |
| 190 | S | 85.7 | Confident | 92.4 | Very high | 70 Ų | 70 | 33.6 Ų | 33.6 | 49% | 0.49 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.3 | -32.3 | 176.1 | 78.7 | 0 | 0 | 0 | 0 | 112.3 | D186 E187 G192 | D186-S190 WeakPolarHBondContact O-CB 3.35Å; D186-S190 PolarHBondContact O-N 2.93Å; E187-S190 PolarHBondContact O-N 2.93Å; E187-S190 PolarHBondContact O-OG 3.37Å; E187-S190 PolarHBondContact OE2-OG 2.72Å; S190-G192 VanDerWaalsContact C-N 3.27Å; S190-G192 PolarHBondContact O-N 3.05Å |
| 191 | R | 84.7 | Confident | 92.3 | Very high | 76 Ų | 76 | 35.7 Ų | 35.7 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.2 | 176.9 | -69 | -177.3 | -177.7 | -141.6 | 6.8 | 114.7 | E187 M188 L189 F193 L332 | E187-R191 HydrophobicContact CG-CG 4.44Å; E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 VanDerWaalsContact O-CG 3.32Å; E187-R191 WeakPolarHBondContact O-CG 3.42Å; E187-R191 PolarHBondContact O-N 3.49Å; E187-R191 IonicContact OE1-CZ 2.84Å; E187-R191 IonicContact OE1-NE 3.28Å; E187-R191 PolarHBondContact OE1-NE 2.86Å; E187-R191 IonicContact OE1-NH2 3.27Å; E187-R191 PolarHBondContact OE1-NH2 3.46Å; M188-R191 PolarHBondContact O-N 2.82Å; L189-R191 PolarHBondContact O-N 2.96Å; R191-F193 HydrophobicContact CB-CD2 3.98Å; R191-F193 HydrophobicContact CB-CE2 3.96Å; R191-L332 PolarHBondContact NH2-O 3.44Å |
| 192 | G | 89.7 | Confident | 92.2 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 47% | 0.474 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 19.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L189 S190 K194 Q196 | L189-G192 PolarHBondContact O-N 2.73Å; S190-G192 VanDerWaalsContact C-N 3.27Å; S190-G192 PolarHBondContact O-N 3.05Å; G192-K194 PolarHBondContact O-N 3.16Å; G192-Q196 PolarHBondContact O-OE1 2.97Å |
| 193 | F | 91.3 | Very high | 92.1 | Very high | 48 Ų | 48 | 45.1 Ų | 45.1 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 8.7 | 175.3 | -62.8 | -52.6 | 0 | 0 | 0 | 114.2 | P160 M188 R191 D195 Q196 I197 | P160-F193 HydrophobicContact CB-CB 4.11Å; P160-F193 HydrophobicContact CB-CD1 4.09Å; P160-F193 HydrophobicContact CB-CG 4.05Å; P160-F193 HydrophobicContact CG-CB 3.94Å; P160-F193 HydrophobicContact CG-CD1 4.3Å; P160-F193 HydrophobicContact CG-CD2 3.94Å; P160-F193 HydrophobicContact CG-CG 3.83Å; M188-F193 HydrophobicContact CB-CB 4.32Å; M188-F193 HydrophobicContact CB-CD2 4.19Å; M188-F193 HydrophobicContact CG-CD2 4.44Å; M188-F193 VanDerWaalsContact O-CB 3.25Å; M188-F193 WeakPolarHBondContact O-CB 3.2Å; M188-F193 PolarHBondContact O-N 2.87Å; R191-F193 HydrophobicContact CB-CD2 3.98Å; R191-F193 HydrophobicContact CB-CE2 3.96Å; F193-D195 VanDerWaalsContact C-N 3.31Å; F193-D195 PolarHBondContact O-N 3.34Å; F193-Q196 PolarHBondContact O-N 2.85Å; F193-I197 HydrophobicContact CB-CD1 4.25Å; F193-I197 HydrophobicContact CB-CG1 4.39Å; F193-I197 WeakPolarHBondContact O-CB 3.33Å; F193-I197 VanDerWaalsContact O-CG1 3.24Å; F193-I197 WeakPolarHBondContact O-CG1 3.44Å; F193-I197 PolarHBondContact O-N 3.18Å |
| 194 | K | 91.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 45.8 Ų | 45.8 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53 | -48.4 | -177.9 | -171 | 171.4 | -172.4 | 167.3 | 0 | 111.5 | L189 G192 Y198 D220 E223 | L189-K194 HydrophobicContact CD2-CB 3.82Å; L189-K194 HydrophobicContact CD2-CG 4.02Å; G192-K194 PolarHBondContact O-N 3.16Å; K194-Y198 PolarHBondContact O-N 3.27Å; K194-Y198 VanDerWaalsContact O-N 3.13Å; K194-D220 IonicContact NZ-OD1 3.16Å; K194-D220 PolarHBondContact NZ-OD1 3.3Å; K194-E223 IonicContact NZ-OE2 3.67Å; K194-E223 PolarHBondContact NZ-OE2 3.24Å |
| 195 | D | 92.2 | Very high | 92.3 | Very high | 113 Ų | 113 | 47.6 Ų | 47.6 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.8 | -45.8 | -178.3 | -65.1 | -21.5 | 0 | 0 | 0 | 111.5 | F193 I197 Y198 E199 | F193-D195 VanDerWaalsContact C-N 3.31Å; F193-D195 PolarHBondContact O-N 3.34Å; D195-I197 VanDerWaalsContact C-N 3.34Å; D195-I197 PolarHBondContact O-N 2.86Å; D195-Y198 WeakPolarHBondContact O-CB 3.36Å; D195-Y198 PolarHBondContact O-N 3.37Å; D195-Y198 VanDerWaalsContact O-N 3.11Å; D195-E199 WeakPolarHBondContact O-CG 3.44Å; D195-E199 PolarHBondContact O-N 3.47Å |
| 196 | Q | 93.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 54 Ų | 54 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 179.5 | -67.2 | 79.1 | 17.2 | 0 | 0 | 112.1 | P160 G192 F193 Y198 E199 I200 | P160-Q196 HydrophobicContact CB-CB 4.1Å; G192-Q196 PolarHBondContact O-OE1 2.97Å; F193-Q196 PolarHBondContact O-N 2.85Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Q196-E199 PolarHBondContact O-N 3.05Å; Q196-I200 WeakPolarHBondContact O-CB 3.31Å; Q196-I200 WeakPolarHBondContact O-CD1 3.31Å; Q196-I200 WeakPolarHBondContact O-CG1 3.45Å; Q196-I200 PolarHBondContact O-N 3.15Å |
| 197 | I | 95.2 | Very high | 92.5 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.3 | -67.8 | 167 | 0 | 0 | 0 | 109.9 | L107 P160 F180 L182 M188 L189 F193 D195 I200 F201 F228 | L107-I197 HydrophobicContact CD1-CG1 4.09Å; P160-I197 HydrophobicContact CG-CG1 4.35Å; F180-I197 HydrophobicContact CZ-CG2 4.42Å; L182-I197 HydrophobicContact CD1-CG2 4.35Å; L182-I197 HydrophobicContact CD2-CD1 4.35Å; L182-I197 HydrophobicContact CD2-CG1 4.4Å; L182-I197 HydrophobicContact CD2-CG2 3.87Å; M188-I197 HydrophobicContact CB-CD1 3.77Å; M188-I197 HydrophobicContact CE-CD1 4.24Å; M188-I197 HydrophobicContact SD-CD1 4.2Å; L189-I197 HydrophobicContact CD2-CD1 4.22Å; F193-I197 HydrophobicContact CB-CD1 4.25Å; F193-I197 HydrophobicContact CB-CG1 4.39Å; F193-I197 WeakPolarHBondContact O-CB 3.33Å; F193-I197 VanDerWaalsContact O-CG1 3.24Å; F193-I197 WeakPolarHBondContact O-CG1 3.44Å; F193-I197 PolarHBondContact O-N 3.18Å; D195-I197 VanDerWaalsContact C-N 3.34Å; D195-I197 PolarHBondContact O-N 2.86Å; I197-I200 PolarHBondContact O-N 3.37Å; I197-F201 WeakPolarHBondContact O-CB 3.14Å; I197-F201 PolarHBondContact O-N 2.97Å; I197-F228 HydrophobicContact CG2-CE2 3.64Å; I197-F228 HydrophobicContact CG2-CZ 4.29Å |
| 198 | Y | 94.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 57.7 Ų | 57.7 | 41% | 0.408 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.9 | -174.7 | -97.1 | 0 | 0 | 0 | 112 | K194 D195 Q196 I200 F201 Q202 F228 | K194-Y198 PolarHBondContact O-N 3.27Å; K194-Y198 VanDerWaalsContact O-N 3.13Å; D195-Y198 WeakPolarHBondContact O-CB 3.36Å; D195-Y198 PolarHBondContact O-N 3.37Å; D195-Y198 VanDerWaalsContact O-N 3.11Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Y198-I200 VanDerWaalsContact C-N 3.34Å; Y198-I200 PolarHBondContact O-N 2.73Å; Y198-F201 PolarHBondContact O-N 3.12Å; Y198-Q202 HydrophobicContact CD1-CG 4.33Å; Y198-Q202 HydrophobicContact CE1-CG 4.06Å; Y198-Q202 WeakPolarHBondContact O-CG 3.48Å; Y198-Q202 PolarHBondContact O-N 2.99Å; Y198-Q202 PolarHBondContact OH-NE2 3.36Å; Y198-F228 AromaticContact CD2-CE1 3.53Å; Y198-F228 HydrophobicContact CD2-CE1 3.53Å; Y198-F228 AromaticContact CD2-CZ 3.78Å; Y198-F228 HydrophobicContact CD2-CZ 3.78Å; Y198-F228 HydrophobicContact CE2-CE1 4.11Å; Y198-F228 HydrophobicContact CG-CE1 4.47Å; Y198-F228 HydrophobicContact CG-CZ 4.42Å |
| 199 | E | 95.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66 | -34.4 | 178.3 | -66.3 | 177.4 | 130.5 | 0 | 0 | 113.1 | F164 D195 Q196 K203 | F164-E199 HydrophobicContact CD2-CB 3.99Å; F164-E199 WeakPolarHBondContact CE1-OE2 3.49Å; F164-E199 HydrophobicContact CE2-CB 3.45Å; F164-E199 VanDerWaalsContact CE2-CB 3.45Å; F164-E199 HydrophobicContact CE2-CG 4.23Å; F164-E199 WeakPolarHBondContact CE2-OE2 3.49Å; F164-E199 HydrophobicContact CZ-CB 4.03Å; F164-E199 VanDerWaalsContact CZ-CD 3.44Å; F164-E199 HydrophobicContact CZ-CG 4.33Å; F164-E199 WeakPolarHBondContact CZ-OE2 3.39Å; D195-E199 WeakPolarHBondContact O-CG 3.44Å; D195-E199 PolarHBondContact O-N 3.47Å; Q196-E199 PolarHBondContact O-N 3.05Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å |
| 200 | I | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 171.5 | -71.5 | 166.1 | 0 | 0 | 0 | 109.5 | L105 L107 P160 V163 F164 L167 F180 Q196 I197 Y198 Q202 K203 | L105-I200 HydrophobicContact CD2-CG2 3.81Å; L107-I200 HydrophobicContact CD1-CD1 3.8Å; L107-I200 HydrophobicContact CD2-CD1 4.2Å; P160-I200 HydrophobicContact CB-CD1 4.32Å; V163-I200 HydrophobicContact CB-CD1 4.22Å; V163-I200 HydrophobicContact CG1-CD1 4.01Å; V163-I200 HydrophobicContact CG1-CG1 4.47Å; F164-I200 HydrophobicContact CB-CD1 4.1Å; F164-I200 HydrophobicContact CB-CG1 3.92Å; F164-I200 HydrophobicContact CD2-CG1 4.19Å; L167-I200 HydrophobicContact CD1-CB 4.38Å; L167-I200 HydrophobicContact CD1-CG1 4.13Å; L167-I200 HydrophobicContact CD1-CG2 3.89Å; F180-I200 HydrophobicContact CE2-CG2 3.94Å; F180-I200 HydrophobicContact CZ-CG2 4.05Å; Q196-I200 WeakPolarHBondContact O-CB 3.31Å; Q196-I200 WeakPolarHBondContact O-CD1 3.31Å; Q196-I200 WeakPolarHBondContact O-CG1 3.45Å; Q196-I200 PolarHBondContact O-N 3.15Å; I197-I200 PolarHBondContact O-N 3.37Å; Y198-I200 VanDerWaalsContact C-N 3.34Å; Y198-I200 PolarHBondContact O-N 2.73Å; I200-Q202 VanDerWaalsContact C-N 3.27Å; I200-Q202 PolarHBondContact O-N 3.28Å; I200-K203 WeakPolarHBondContact O-CB 3.35Å; I200-K203 PolarHBondContact O-N 2.86Å |
| 201 | F | 95.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 54 Ų | 54 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.7 | -41.5 | -178.1 | -176.8 | -100.1 | 0 | 0 | 0 | 112 | F180 I197 Y198 K203 L204 I208 V210 F228 | F180-F201 AromaticContact CD1-CD2 3.99Å; F180-F201 HydrophobicContact CD1-CD2 3.99Å; F180-F201 HydrophobicContact CE1-CB 4.46Å; F180-F201 HydrophobicContact CE1-CD2 4.09Å; I197-F201 WeakPolarHBondContact O-CB 3.14Å; I197-F201 PolarHBondContact O-N 2.97Å; Y198-F201 PolarHBondContact O-N 3.12Å; F201-K203 PolarHBondContact O-N 3.45Å; F201-K203 VanDerWaalsContact O-N 3.11Å; F201-L204 WeakPolarHBondContact O-CB 3.45Å; F201-L204 PolarHBondContact O-N 3.24Å; F201-I208 HydrophobicContact CE2-CG2 3.73Å; F201-I208 HydrophobicContact CZ-CG2 4.26Å; F201-V210 HydrophobicContact CE2-CG2 3.73Å; F201-F228 HydrophobicContact CB-CD1 4.33Å; F201-F228 HydrophobicContact CB-CE1 4.1Å; F201-F228 HydrophobicContact CB-CZ 4.29Å; F201-F228 AromaticContact CD1-CD1 3.38Å; F201-F228 HydrophobicContact CD1-CD1 3.38Å; F201-F228 AromaticContact CD1-CE1 3.69Å; F201-F228 HydrophobicContact CD1-CE1 3.69Å; F201-F228 HydrophobicContact CD1-CG 4.13Å; F201-F228 HydrophobicContact CD2-CB 4.2Å; F201-F228 HydrophobicContact CD2-CD1 4.14Å; F201-F228 HydrophobicContact CD2-CG 4.06Å; F201-F228 HydrophobicContact CE1-CB 4.31Å; F201-F228 AromaticContact CE1-CD1 3.59Å; F201-F228 HydrophobicContact CE1-CD1 3.59Å; F201-F228 HydrophobicContact CE1-CE1 4.31Å; F201-F228 HydrophobicContact CE1-CG 4.23Å; F201-F228 HydrophobicContact CE2-CB 3.84Å; F201-F228 HydrophobicContact CE2-CD1 4.31Å; F201-F228 HydrophobicContact CE2-CG 4.17Å; F201-F228 AromaticContact CG-CD1 3.68Å; F201-F228 HydrophobicContact CG-CD1 3.68Å; F201-F228 AromaticContact CG-CE1 3.92Å; F201-F228 HydrophobicContact CG-CE1 3.92Å; F201-F228 HydrophobicContact CG-CG 4.04Å; F201-F228 HydrophobicContact CG-CZ 4.49Å; F201-F228 HydrophobicContact CZ-CB 3.9Å; F201-F228 HydrophobicContact CZ-CD1 4.06Å; F201-F228 HydrophobicContact CZ-CG 4.25Å; F201-F228 WeakPolarHBondContact CZ-O 3.48Å |
| 202 | Q | 94.7 | Very high | 94.7 | Very high | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.57 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.5 | 176.7 | -73.7 | -173.1 | -32.4 | 0 | 0 | 114.9 | Y198 I200 | Y198-Q202 HydrophobicContact CD1-CG 4.33Å; Y198-Q202 HydrophobicContact CE1-CG 4.06Å; Y198-Q202 WeakPolarHBondContact O-CG 3.48Å; Y198-Q202 PolarHBondContact O-N 2.99Å; Y198-Q202 PolarHBondContact OH-NE2 3.36Å; I200-Q202 VanDerWaalsContact C-N 3.27Å; I200-Q202 PolarHBondContact O-N 3.28Å |
| 203 | K | 95.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 34% | 0.339 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12.3 | 177 | -64.8 | 174.5 | -171.5 | -66.8 | 0 | 113.1 | L167 N168 P174 E199 I200 F201 | L167-K203 HydrophobicContact CB-CD 3.88Å; L167-K203 HydrophobicContact CD1-CD 4.41Å; N168-K203 WeakPolarHBondContact OD1-CE 3.32Å; N168-K203 PolarHBondContact OD1-NZ 3.38Å; P174-K203 VanDerWaalsContact CB-O 3.27Å; P174-K203 WeakPolarHBondContact CB-O 3.19Å; P174-K203 WeakPolarHBondContact CG-O 3.4Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; I200-K203 WeakPolarHBondContact O-CB 3.35Å; I200-K203 PolarHBondContact O-N 2.86Å; F201-K203 PolarHBondContact O-N 3.45Å; F201-K203 VanDerWaalsContact O-N 3.11Å |
| 204 | L | 96.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -82.2 | 165.6 | 179.3 | -55.3 | -178.6 | 0 | 0 | 0 | 110.5 | L105 P174 I177 F180 F201 I208 | L105-L204 HydrophobicContact CD2-CD2 4.28Å; P174-L204 HydrophobicContact CB-CD2 4.04Å; I177-L204 HydrophobicContact CB-CD2 4.44Å; I177-L204 HydrophobicContact CD1-CD2 4.03Å; I177-L204 HydrophobicContact CG2-CD2 4.39Å; F180-L204 HydrophobicContact CB-CD1 3.81Å; F180-L204 HydrophobicContact CD1-CD1 4.01Å; F180-L204 HydrophobicContact CD2-CD1 3.73Å; F180-L204 HydrophobicContact CE1-CD1 4.48Å; F180-L204 HydrophobicContact CE2-CD1 4.22Å; F180-L204 HydrophobicContact CG-CD1 3.59Å; F201-L204 WeakPolarHBondContact O-CB 3.45Å; F201-L204 PolarHBondContact O-N 3.24Å; L204-I208 HydrophobicContact CB-CB 4.44Å; L204-I208 HydrophobicContact CB-CD1 4.47Å; L204-I208 HydrophobicContact CB-CG1 4.35Å; L204-I208 HydrophobicContact CB-CG2 4.48Å; L204-I208 HydrophobicContact CD1-CD1 4.36Å; L204-I208 HydrophobicContact CD1-CG1 4.13Å |
| 205 | N | 93.8 | Very high | 94.4 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 24% | 0.241 | 22% | 0.219 | C | C | . | . | trans | -68.1 | 155 | 177 | 62.4 | 42.8 | 0 | 0 | 0 | 111.5 | I177 S207 I208 | I177-N205 PolarHBondContact O-ND2 2.92Å; N205-S207 PolarHBondContact O-N 3.44Å; N205-S207 PolarHBondContact OD1-OG 2.89Å; N205-I208 VanDerWaalsContact O-CB 3.25Å; N205-I208 WeakPolarHBondContact O-CB 3.3Å; N205-I208 WeakPolarHBondContact O-CG2 3.29Å; N205-I208 PolarHBondContact O-N 3.32Å; N205-I208 WeakPolarHBondContact OD1-CA 3.45Å; N205-I208 VanDerWaalsContact OD1-CB 3.27Å; N205-I208 WeakPolarHBondContact OD1-CB 3.35Å; N205-I208 PolarHBondContact OD1-N 2.73Å | ||
| 206 | T | 91.5 | Very high | 93.9 | Very high | 139 Ų | 139 | 37.9 Ų | 37.9 | 85% | 0.853 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.5 | -178.6 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | I208 R230 | T206-I208 VanDerWaalsContact C-N 3.32Å; T206-R230 PolarHBondContact O-NH1 3.24Å; T206-R230 VanDerWaalsContact O-NH1 3.14Å |
| 207 | S | 93.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 36.7 Ų | 36.7 | 59% | 0.594 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.6 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | N205 Q209 R230 | N205-S207 PolarHBondContact O-N 3.44Å; N205-S207 PolarHBondContact OD1-OG 2.89Å; S207-Q209 PolarHBondContact O-N 3.3Å; S207-R230 VanDerWaalsContact C-NH1 3.33Å; S207-R230 PolarHBondContact O-NH1 3.06Å |
| 208 | I | 97.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | trans | -54.6 | 130.3 | -170.5 | -170.2 | 75.8 | 0 | 0 | 0 | 111.5 | I177 K178 F180 F201 L204 N205 T206 V210 R230 | I177-I208 HydrophobicContact CB-CD1 4.41Å; I177-I208 HydrophobicContact CG2-CD1 3.85Å; I177-I208 WeakPolarHBondContact O-CD1 3.46Å; K178-I208 WeakPolarHBondContact O-CD1 3.19Å; F180-I208 HydrophobicContact CB-CD1 4.24Å; F180-I208 HydrophobicContact CB-CG1 3.73Å; F201-I208 HydrophobicContact CE2-CG2 3.73Å; F201-I208 HydrophobicContact CZ-CG2 4.26Å; L204-I208 HydrophobicContact CB-CB 4.44Å; L204-I208 HydrophobicContact CB-CD1 4.47Å; L204-I208 HydrophobicContact CB-CG1 4.35Å; L204-I208 HydrophobicContact CB-CG2 4.48Å; L204-I208 HydrophobicContact CD1-CD1 4.36Å; L204-I208 HydrophobicContact CD1-CG1 4.13Å; N205-I208 VanDerWaalsContact O-CB 3.25Å; N205-I208 WeakPolarHBondContact O-CB 3.3Å; N205-I208 WeakPolarHBondContact O-CG2 3.29Å; N205-I208 PolarHBondContact O-N 3.32Å; N205-I208 WeakPolarHBondContact OD1-CA 3.45Å; N205-I208 VanDerWaalsContact OD1-CB 3.27Å; N205-I208 WeakPolarHBondContact OD1-CB 3.35Å; N205-I208 PolarHBondContact OD1-N 2.73Å; T206-I208 VanDerWaalsContact C-N 3.32Å; I208-V210 HydrophobicContact CG2-CG2 4.25Å; I208-R230 PolarHBondContact O-NH2 3.41Å | ||
| 209 | Q | 98.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 134.4 | 169.1 | -177.7 | -172.4 | 10 | 0 | 0 | 109.6 | C67 Y71 D72 K178 M179 F180 S207 | C67-Q209 PolarHBondContact O-NE2 2.96Å; Y71-Q209 WeakPolarHBondContact O-CG 3.5Å; Y71-Q209 PolarHBondContact O-NE2 3.24Å; D72-Q209 WeakPolarHBondContact OD1-CA 3.44Å; K178-Q209 PolarHBondContact O-N 3.32Å; M179-Q209 WeakPolarHBondContact CA-O 3.24Å; F180-Q209 PolarHBondContact N-O 2.75Å; S207-Q209 PolarHBondContact O-N 3.3Å |
| 210 | V | 97.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 125.4 | 178.7 | -171.2 | 0 | 0 | 0 | 0 | 111 | D72 V73 F180 F201 I208 M229 | D72-V210 CarbonylContact C-O 3.46Å; D72-V210 WeakPolarHBondContact CA-O 3.36Å; D72-V210 PolarHBondContact OD1-N 3.44Å; V73-V210 PolarHBondContact N-O 3.05Å; F180-V210 HydrophobicContact CD1-CG1 4.28Å; F180-V210 CarbonylContact O-C 3.41Å; F180-V210 WeakPolarHBondContact O-CA 3.05Å; F201-V210 HydrophobicContact CE2-CG2 3.73Å; I208-V210 HydrophobicContact CG2-CG2 4.25Å; V210-M229 HydrophobicContact CB-CE 4.06Å; V210-M229 HydrophobicContact CB-CG 4.07Å; V210-M229 HydrophobicContact CG1-CE 3.57Å; V210-M229 HydrophobicContact CG1-CG 4.1Å |
| 211 | V | 97.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.1 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | V73 M179 F180 V181 L182 L213 | V73-V211 HydrophobicContact CB-CG1 4.34Å; V73-V211 CarbonylContact O-C 3.53Å; V73-V211 WeakPolarHBondContact O-CA 3.2Å; M179-V211 HydrophobicContact CE-CG2 4.27Å; M179-V211 HydrophobicContact CG-CG2 4.49Å; M179-V211 HydrophobicContact SD-CG2 4.38Å; F180-V211 PolarHBondContact O-N 3.14Å; V181-V211 CarbonylContact C-O 3.55Å; V181-V211 VanDerWaalsContact CA-O 3.26Å; V181-V211 WeakPolarHBondContact CA-O 3.43Å; V181-V211 HydrophobicContact CG1-CB 4.42Å; V181-V211 HydrophobicContact CG2-CB 4.19Å; L182-V211 PolarHBondContact N-O 2.68Å; V211-L213 HydrophobicContact CG1-CD1 3.79Å; V211-L213 HydrophobicContact CG1-CG 4.38Å |
| 212 | L | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.6 | 177.7 | -174.5 | 151.3 | 0 | 0 | 0 | 109.6 | V73 I74 A75 L182 A185 M217 V221 V224 T225 M229 | V73-L212 PolarHBondContact O-N 3.01Å; I74-L212 WeakPolarHBondContact CA-O 3.18Å; I74-L212 HydrophobicContact CG2-CD2 4.35Å; A75-L212 PolarHBondContact N-O 3.3Å; L182-L212 HydrophobicContact CB-CG 4.36Å; L182-L212 HydrophobicContact CD1-CD1 4.11Å; A185-L212 HydrophobicContact CB-CD1 3.74Å; A185-L212 HydrophobicContact CB-CD2 3.86Å; A185-L212 HydrophobicContact CB-CG 3.61Å; L212-M217 HydrophobicContact CD2-CE 3.95Å; L212-M217 HydrophobicContact CD2-SD 4.34Å; L212-V221 HydrophobicContact CD1-CG1 4.08Å; L212-V221 HydrophobicContact CD2-CG1 3.78Å; L212-V224 HydrophobicContact CD1-CG1 4.03Å; L212-T225 HydrophobicContact CD1-CG2 3.89Å; L212-M229 HydrophobicContact CB-CE 3.35Å |
| 213 | L | 94 | Very high | 91.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.6 | 174.2 | -55.2 | 99.2 | 0 | 0 | 0 | 109.9 | A75 K83 F87 V181 L182 E184 A185 V211 | A75-L213 HydrophobicContact CB-CD2 4.27Å; A75-L213 HydrophobicContact CB-CG 4.3Å; A75-L213 WeakPolarHBondContact O-CA 3.2Å; K83-L213 HydrophobicContact CB-CD2 3.85Å; K83-L213 HydrophobicContact CD-CB 4.42Å; K83-L213 HydrophobicContact CG-CD2 4.21Å; F87-L213 HydrophobicContact CB-CD1 4.07Å; F87-L213 HydrophobicContact CD1-CD1 3.49Å; F87-L213 VanDerWaalsContact CD1-CD1 3.49Å; F87-L213 HydrophobicContact CD1-CD2 3.86Å; F87-L213 HydrophobicContact CD1-CG 4.3Å; F87-L213 HydrophobicContact CE1-CD1 4.21Å; F87-L213 HydrophobicContact CG-CD1 4.1Å; V181-L213 HydrophobicContact CG1-CD1 3.56Å; L182-L213 PolarHBondContact O-N 2.78Å; E184-L213 PolarHBondContact N-O 3.22Å; A185-L213 PolarHBondContact N-O 3.32Å; A185-L213 VanDerWaalsContact N-O 3.13Å; V211-L213 HydrophobicContact CG1-CD1 3.79Å; V211-L213 HydrophobicContact CG1-CG 4.38Å |
| 214 | S | 89.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.9 | 176.7 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | A75 Q76 A77 D186 T216 | A75-S214 PolarHBondContact O-N 2.99Å; A75-S214 VanDerWaalsContact O-N 3.11Å; Q76-S214 VanDerWaalsContact CA-O 3.27Å; Q76-S214 WeakPolarHBondContact CA-O 2.94Å; A77-S214 PolarHBondContact N-O 3.34Å; D186-S214 VanDerWaalsContact CB-OG 3.27Å; D186-S214 WeakPolarHBondContact CB-OG 3.49Å; D186-S214 PolarHBondContact OD1-OG 3.1Å; S214-T216 WeakPolarHBondContact CB-O 3.41Å; S214-T216 PolarHBondContact OG-N 3.05Å; S214-T216 PolarHBondContact OG-O 2.88Å |
| 215 | A | 82.9 | Confident | 91 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -81.9 | -29.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q76 A77 I358 H359 | Q76-A215 WeakPolarHBondContact CG-O 3.13Å; Q76-A215 PolarHBondContact NE2-O 2.98Å; A77-A215 VanDerWaalsContact O-CA 3.31Å; A77-A215 WeakPolarHBondContact O-CA 3.33Å; A215-I358 HydrophobicContact CB-CD1 4.41Å; A215-H359 WeakPolarHBondContact CB-CE1 3.29Å |
| 216 | T | 82.6 | Confident | 90.9 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | trans | -127.6 | 153 | -174.8 | 68.5 | 0 | 0 | 0 | 0 | 110.1 | D186 S214 P218 E355 I358 | D186-T216 VanDerWaalsContact CB-OG1 3.27Å; D186-T216 WeakPolarHBondContact CB-OG1 3.19Å; D186-T216 PolarHBondContact OD2-OG1 2.93Å; S214-T216 WeakPolarHBondContact CB-O 3.41Å; S214-T216 PolarHBondContact OG-N 3.05Å; S214-T216 PolarHBondContact OG-O 2.88Å; T216-P218 WeakPolarHBondContact O-CD 3.32Å; T216-P218 WeakPolarHBondContact OG1-CD 3.45Å; T216-E355 HydrophobicContact CG2-CB 4.39Å; T216-E355 HydrophobicContact CG2-CG 4.32Å; T216-I358 HydrophobicContact CG2-CD1 3.87Å | ||
| 217 | M | 87.7 | Confident | 90.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 17% | 0.167 | 21% | 0.212 | C | C | . | . | trans | -121.8 | 64.1 | 178.6 | -66.7 | -65.7 | 168 | 0 | 0 | 110.6 | I74 Q76 L212 V221 L222 L236 | I74-M217 HydrophobicContact CG2-CE 3.55Å; I74-M217 HydrophobicContact CG2-SD 4.03Å; Q76-M217 HydrophobicContact CB-CE 3.77Å; Q76-M217 HydrophobicContact CB-CG 4.34Å; Q76-M217 HydrophobicContact CG-CE 4.19Å; Q76-M217 HydrophobicContact CG-CG 4.16Å; L212-M217 HydrophobicContact CD2-CE 3.95Å; L212-M217 HydrophobicContact CD2-SD 4.34Å; M217-V221 HydrophobicContact SD-CG1 3.56Å; M217-V221 VanDerWaalsContact SD-CG1 3.56Å; M217-L222 HydrophobicContact CB-CD2 4.36Å; M217-L236 HydrophobicContact CE-CD2 4.44Å; M217-L236 HydrophobicContact CG-CD2 4.32Å | ||
| 218 | P | 85.6 | Confident | 90.6 | Very high | 45 Ų | 45 | 37 Ų | 37 | 29% | 0.292 | 19% | 0.186 | S | C | . | . | trans | -65.9 | 164.8 | 173.4 | 31.2 | -36.2 | 0 | 0 | 0 | 110.5 | D186 T216 D220 V221 L222 | D186-P218 HydrophobicContact CB-CG 4.33Å; T216-P218 WeakPolarHBondContact O-CD 3.32Å; T216-P218 WeakPolarHBondContact OG1-CD 3.45Å; P218-D220 PolarHBondContact O-N 3.49Å; P218-D220 VanDerWaalsContact O-N 3.15Å; P218-V221 HydrophobicContact CG-CB 4.26Å; P218-V221 HydrophobicContact CG-CG2 3.74Å; P218-V221 PolarHBondContact O-N 2.94Å; P218-L222 PolarHBondContact O-N 2.88Å; P218-L222 VanDerWaalsContact O-N 3.12Å | ||
| 219 | T | 87.8 | Confident | 90.4 | Very high | 102 Ų | 102 | 37.7 Ų | 37.7 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -52.5 | -40.6 | -177 | -50.6 | 0 | 0 | 0 | 0 | 112.8 | V221 L222 E223 | T219-V221 VanDerWaalsContact C-N 3.35Å; T219-V221 PolarHBondContact O-N 3.49Å; T219-L222 CarbonylContact O-C 3.46Å; T219-L222 WeakPolarHBondContact O-CB 3.41Å; T219-L222 PolarHBondContact O-N 2.89Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.45Å |
| 220 | D | 87.3 | Confident | 90.2 | Very high | 77 Ų | 77 | 43 Ų | 43 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.8 | -80.1 | -55.5 | 0 | 0 | 0 | 113.3 | L189 K194 P218 E223 V224 | L189-D220 VanDerWaalsContact CD1-C 3.49Å; L189-D220 HydrophobicContact CD1-CB 4Å; L189-D220 WeakPolarHBondContact CD1-O 3.27Å; K194-D220 IonicContact NZ-OD1 3.16Å; K194-D220 PolarHBondContact NZ-OD1 3.3Å; P218-D220 PolarHBondContact O-N 3.49Å; P218-D220 VanDerWaalsContact O-N 3.15Å; D220-E223 PolarHBondContact O-N 3.19Å; D220-V224 WeakPolarHBondContact O-CG2 3.36Å; D220-V224 PolarHBondContact O-N 3.35Å; D220-V224 VanDerWaalsContact O-N 3.12Å |
| 221 | V | 89.7 | Confident | 90 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | D186 L189 L212 M217 P218 T219 E223 V224 T225 | D186-V221 VanDerWaalsContact CA-CG2 3.46Å; D186-V221 HydrophobicContact CB-CG2 3.81Å; L189-V221 HydrophobicContact CD1-CB 4.27Å; L189-V221 HydrophobicContact CD1-CG2 3.7Å; L212-V221 HydrophobicContact CD1-CG1 4.08Å; L212-V221 HydrophobicContact CD2-CG1 3.78Å; M217-V221 HydrophobicContact SD-CG1 3.56Å; M217-V221 VanDerWaalsContact SD-CG1 3.56Å; P218-V221 HydrophobicContact CG-CB 4.26Å; P218-V221 HydrophobicContact CG-CG2 3.74Å; P218-V221 PolarHBondContact O-N 2.94Å; T219-V221 VanDerWaalsContact C-N 3.35Å; T219-V221 PolarHBondContact O-N 3.49Å; V221-E223 VanDerWaalsContact C-N 3.31Å; V221-E223 PolarHBondContact O-N 3.43Å; V221-V224 WeakPolarHBondContact O-CB 3.3Å; V221-V224 PolarHBondContact O-N 3.46Å; V221-T225 WeakPolarHBondContact O-CG2 3.41Å; V221-T225 PolarHBondContact O-N 3.34Å; V221-T225 VanDerWaalsContact O-N 3.08Å |
| 222 | L | 89.6 | Confident | 90 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 38% | 0.382 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.1 | -37.5 | 176.1 | -64.1 | 174.4 | 0 | 0 | 0 | 112 | M217 P218 T219 T225 K226 | M217-L222 HydrophobicContact CB-CD2 4.36Å; P218-L222 PolarHBondContact O-N 2.88Å; P218-L222 VanDerWaalsContact O-N 3.12Å; T219-L222 CarbonylContact O-C 3.46Å; T219-L222 WeakPolarHBondContact O-CB 3.41Å; T219-L222 PolarHBondContact O-N 2.89Å; L222-T225 PolarHBondContact O-N 3.4Å; L222-T225 PolarHBondContact O-OG1 3.33Å; L222-K226 WeakPolarHBondContact O-CG 3.29Å; L222-K226 PolarHBondContact O-N 2.95Å |
| 223 | E | 88.9 | Confident | 90 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 36% | 0.355 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 173.8 | -75.7 | -175.7 | 177.1 | 0 | 0 | 112.7 | K194 T219 D220 V221 T225 K226 K227 | K194-E223 IonicContact NZ-OE2 3.67Å; K194-E223 PolarHBondContact NZ-OE2 3.24Å; T219-E223 WeakPolarHBondContact O-CG 3.25Å; T219-E223 PolarHBondContact O-N 3.45Å; D220-E223 PolarHBondContact O-N 3.19Å; V221-E223 VanDerWaalsContact C-N 3.31Å; V221-E223 PolarHBondContact O-N 3.43Å; E223-T225 VanDerWaalsContact C-N 3.33Å; E223-T225 PolarHBondContact O-N 3.08Å; E223-K226 PolarHBondContact O-N 2.9Å; E223-K227 PolarHBondContact O-N 2.93Å |
| 224 | V | 88.8 | Confident | 90 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 175.5 | 162.6 | 0 | 0 | 0 | 0 | 110.7 | L182 L189 L212 D220 V221 K226 K227 F228 | L182-V224 HydrophobicContact CD1-CG1 4.19Å; L189-V224 HydrophobicContact CD1-CB 4.39Å; L189-V224 HydrophobicContact CD1-CG2 3.68Å; L189-V224 HydrophobicContact CD2-CG2 3.85Å; L189-V224 HydrophobicContact CG-CG2 4.39Å; L212-V224 HydrophobicContact CD1-CG1 4.03Å; D220-V224 WeakPolarHBondContact O-CG2 3.36Å; D220-V224 PolarHBondContact O-N 3.35Å; D220-V224 VanDerWaalsContact O-N 3.12Å; V221-V224 WeakPolarHBondContact O-CB 3.3Å; V221-V224 PolarHBondContact O-N 3.46Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.84Å; V224-K227 PolarHBondContact O-N 3.44Å; V224-K227 VanDerWaalsContact O-N 3.17Å; V224-F228 HydrophobicContact CB-CE2 4.47Å; V224-F228 HydrophobicContact CG1-CD2 3.52Å; V224-F228 HydrophobicContact CG1-CE2 3.63Å; V224-F228 HydrophobicContact CG2-CE2 4.48Å; V224-F228 PolarHBondContact O-N 3.39Å |
| 225 | T | 90.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 112.3 | I74 L212 V221 L222 E223 K227 F228 M229 | I74-T225 HydrophobicContact CD1-CG2 3.47Å; I74-T225 VanDerWaalsContact CD1-CG2 3.47Å; I74-T225 HydrophobicContact CG1-CG2 3.81Å; L212-T225 HydrophobicContact CD1-CG2 3.89Å; V221-T225 WeakPolarHBondContact O-CG2 3.41Å; V221-T225 PolarHBondContact O-N 3.34Å; V221-T225 VanDerWaalsContact O-N 3.08Å; L222-T225 PolarHBondContact O-N 3.4Å; L222-T225 PolarHBondContact O-OG1 3.33Å; E223-T225 VanDerWaalsContact C-N 3.33Å; E223-T225 PolarHBondContact O-N 3.08Å; T225-K227 VanDerWaalsContact C-N 3.25Å; T225-K227 PolarHBondContact O-N 2.75Å; T225-F228 PolarHBondContact O-N 3.1Å; T225-M229 HydrophobicContact CG2-SD 3.87Å; T225-M229 VanDerWaalsContact O-CB 3.27Å; T225-M229 WeakPolarHBondContact O-CB 3.46Å; T225-M229 PolarHBondContact O-N 3.1Å |
| 226 | K | 90.8 | Very high | 90.5 | Very high | 173 Ų | 173 | 58.9 Ų | 58.9 | 75% | 0.752 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65 | -27.1 | 179 | -70.4 | 174.9 | -176.9 | 177.7 | 0 | 113.5 | L222 E223 V224 | L222-K226 WeakPolarHBondContact O-CG 3.29Å; L222-K226 PolarHBondContact O-N 2.95Å; E223-K226 PolarHBondContact O-N 2.9Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.84Å |
| 227 | K | 88.9 | Confident | 90.3 | Very high | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -89.6 | -33.7 | -178.7 | -70.6 | -177.1 | -178.8 | -179.8 | 0 | 113.1 | E223 V224 T225 | E223-K227 PolarHBondContact O-N 2.93Å; V224-K227 PolarHBondContact O-N 3.44Å; V224-K227 VanDerWaalsContact O-N 3.17Å; T225-K227 VanDerWaalsContact C-N 3.25Å; T225-K227 PolarHBondContact O-N 2.75Å |
| 228 | F | 89.8 | Confident | 89.3 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -104.5 | -20.5 | -170.2 | -59.3 | -22 | 0 | 0 | 0 | 114.4 | I197 Y198 F201 V224 T225 | I197-F228 HydrophobicContact CG2-CE2 3.64Å; I197-F228 HydrophobicContact CG2-CZ 4.29Å; Y198-F228 AromaticContact CD2-CE1 3.53Å; Y198-F228 HydrophobicContact CD2-CE1 3.53Å; Y198-F228 AromaticContact CD2-CZ 3.78Å; Y198-F228 HydrophobicContact CD2-CZ 3.78Å; Y198-F228 HydrophobicContact CE2-CE1 4.11Å; Y198-F228 HydrophobicContact CG-CE1 4.47Å; Y198-F228 HydrophobicContact CG-CZ 4.42Å; F201-F228 HydrophobicContact CB-CD1 4.33Å; F201-F228 HydrophobicContact CB-CE1 4.1Å; F201-F228 HydrophobicContact CB-CZ 4.29Å; F201-F228 AromaticContact CD1-CD1 3.38Å; F201-F228 HydrophobicContact CD1-CD1 3.38Å; F201-F228 AromaticContact CD1-CE1 3.69Å; F201-F228 HydrophobicContact CD1-CE1 3.69Å; F201-F228 HydrophobicContact CD1-CG 4.13Å; F201-F228 HydrophobicContact CD2-CB 4.2Å; F201-F228 HydrophobicContact CD2-CD1 4.14Å; F201-F228 HydrophobicContact CD2-CG 4.06Å; F201-F228 HydrophobicContact CE1-CB 4.31Å; F201-F228 AromaticContact CE1-CD1 3.59Å; F201-F228 HydrophobicContact CE1-CD1 3.59Å; F201-F228 HydrophobicContact CE1-CE1 4.31Å; F201-F228 HydrophobicContact CE1-CG 4.23Å; F201-F228 HydrophobicContact CE2-CB 3.84Å; F201-F228 HydrophobicContact CE2-CD1 4.31Å; F201-F228 HydrophobicContact CE2-CG 4.17Å; F201-F228 AromaticContact CG-CD1 3.68Å; F201-F228 HydrophobicContact CG-CD1 3.68Å; F201-F228 AromaticContact CG-CE1 3.92Å; F201-F228 HydrophobicContact CG-CE1 3.92Å; F201-F228 HydrophobicContact CG-CG 4.04Å; F201-F228 HydrophobicContact CG-CZ 4.49Å; F201-F228 HydrophobicContact CZ-CB 3.9Å; F201-F228 HydrophobicContact CZ-CD1 4.06Å; F201-F228 HydrophobicContact CZ-CG 4.25Å; F201-F228 WeakPolarHBondContact CZ-O 3.48Å; V224-F228 HydrophobicContact CB-CE2 4.47Å; V224-F228 HydrophobicContact CG1-CD2 3.52Å; V224-F228 HydrophobicContact CG1-CE2 3.63Å; V224-F228 HydrophobicContact CG2-CE2 4.48Å; V224-F228 PolarHBondContact O-N 3.39Å; T225-F228 PolarHBondContact O-N 3.1Å |
| 229 | M | 94.7 | Very high | 88.1 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | trans | -111.9 | 149 | -170.2 | -57.5 | 178.2 | 152.6 | 0 | 0 | 112.5 | D72 V73 I74 V210 L212 T225 P232 | D72-M229 HydrophobicContact CB-CB 4.08Å; D72-M229 HydrophobicContact CB-CG 4.31Å; D72-M229 WeakPolarHBondContact OD2-CA 3.4Å; V73-M229 WeakPolarHBondContact O-CE 3.38Å; I74-M229 HydrophobicContact CD1-SD 3.84Å; I74-M229 HydrophobicContact CG1-CE 4.01Å; I74-M229 HydrophobicContact CG1-SD 3.41Å; I74-M229 WeakPolarHBondContact CG1-SD 3.37Å; V210-M229 HydrophobicContact CB-CE 4.06Å; V210-M229 HydrophobicContact CB-CG 4.07Å; V210-M229 HydrophobicContact CG1-CE 3.57Å; V210-M229 HydrophobicContact CG1-CG 4.1Å; L212-M229 HydrophobicContact CB-CE 3.35Å; T225-M229 HydrophobicContact CG2-SD 3.87Å; T225-M229 VanDerWaalsContact O-CB 3.27Å; T225-M229 WeakPolarHBondContact O-CB 3.46Å; T225-M229 PolarHBondContact O-N 3.1Å; M229-P232 HydrophobicContact CB-CB 4.07Å; M229-P232 HydrophobicContact CB-CG 4.01Å; M229-P232 HydrophobicContact SD-CB 3.92Å; M229-P232 HydrophobicContact SD-CG 4.19Å | ||
| 230 | R | 93.3 | Very high | 86.6 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -114.1 | 111.8 | 177 | -59.8 | 147.7 | -61.6 | -179.9 | 13.2 | 107.8 | D72 T206 S207 I208 | D72-R230 IonicContact OD1-NH2 3.03Å; D72-R230 PolarHBondContact OD1-NH2 3.34Å; D72-R230 IonicContact OD2-CZ 3.73Å; D72-R230 PolarHBondContact OD2-N 2.99Å; D72-R230 IonicContact OD2-NE 3.24Å; D72-R230 PolarHBondContact OD2-NE 3.15Å; D72-R230 IonicContact OD2-NH2 3.29Å; D72-R230 PolarHBondContact OD2-NH2 3.45Å; T206-R230 PolarHBondContact O-NH1 3.24Å; T206-R230 VanDerWaalsContact O-NH1 3.14Å; S207-R230 VanDerWaalsContact C-NH1 3.33Å; S207-R230 PolarHBondContact O-NH1 3.06Å; I208-R230 PolarHBondContact O-NH2 3.41Å |
| 231 | D | 93.7 | Very high | 85.2 | Confident | 144 Ų | 144 | 69.3 Ų | 69.3 | 77% | 0.77 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 41.6 | 60.5 | 179.6 | -165.4 | 28.9 | 0 | 0 | 0 | 113.9 | ||
| 232 | P | 96.6 | Very high | 83.7 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | trans | -70 | 144.4 | -170.2 | 27.6 | -34.3 | 0 | 0 | 0 | 112.1 | N27 D72 I74 M229 R234 | N27-P232 PolarHBondContact ND2-O 3.15Å; D72-P232 HydrophobicContact CB-CB 4.08Å; D72-P232 CarbonylContact O-C 3.58Å; D72-P232 VanDerWaalsContact O-CA 3.27Å; D72-P232 WeakPolarHBondContact O-CA 3.46Å; I74-P232 HydrophobicContact CD1-CB 3.93Å; I74-P232 HydrophobicContact CD1-CG 3.6Å; I74-P232 HydrophobicContact CG1-CB 4Å; I74-P232 HydrophobicContact CG1-CG 4.23Å; M229-P232 HydrophobicContact CB-CB 4.07Å; M229-P232 HydrophobicContact CB-CG 4.01Å; M229-P232 HydrophobicContact SD-CB 3.92Å; M229-P232 HydrophobicContact SD-CG 4.19Å; P232-R234 PolarHBondContact O-N 2.71Å | ||
| 233 | I | 97.2 | Very high | 82.1 | Confident | 15 Ų | 15 | 68 Ų | 68 | 8% | 0.077 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.3 | 161.2 | -62.1 | -53.9 | 0 | 0 | 0 | 108.5 | N27 W28 P66 Y71 D72 V73 I74 I235 | N27-I233 VanDerWaalsContact OD1-CA 3.25Å; N27-I233 WeakPolarHBondContact OD1-CA 3.46Å; W28-I233 HydrophobicContact CB-CD1 4.47Å; W28-I233 HydrophobicContact CB-CG2 3.52Å; W28-I233 HydrophobicContact CE3-CD1 3.78Å; W28-I233 HydrophobicContact CE3-CG1 4.1Å; W28-I233 HydrophobicContact CG-CG2 4.23Å; P66-I233 HydrophobicContact CB-CB 4.37Å; P66-I233 HydrophobicContact CB-CG1 4.07Å; P66-I233 HydrophobicContact CB-CG2 4.2Å; P66-I233 HydrophobicContact CG-CG2 4.29Å; Y71-I233 HydrophobicContact CG-CG1 4.15Å; D72-I233 PolarHBondContact O-N 3.27Å; V73-I233 CarbonylContact C-O 3.53Å; V73-I233 WeakPolarHBondContact CA-O 3.44Å; V73-I233 HydrophobicContact CG2-CB 4.25Å; I74-I233 PolarHBondContact N-O 3.28Å; I233-I235 HydrophobicContact CG2-CD1 4.31Å; I233-I235 HydrophobicContact CG2-CG1 4.11Å |
| 234 | R | 94.8 | Very high | 80.9 | Confident | 126 Ų | 126 | 65.3 Ų | 65.3 | 48% | 0.475 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.5 | -179.9 | -63.4 | 179 | -172 | 139.6 | 7.9 | 107.5 | S26 N27 I74 P232 L236 | S26-R234 WeakPolarHBondContact CA-O 3.5Å; S26-R234 PolarHBondContact OG-O 3.22Å; N27-R234 PolarHBondContact N-O 3.38Å; N27-R234 VanDerWaalsContact N-O 3.15Å; N27-R234 PolarHBondContact OD1-N 2.88Å; N27-R234 PolarHBondContact OD1-O 2.95Å; I74-R234 HydrophobicContact CD1-CG 4.15Å; P232-R234 PolarHBondContact O-N 2.71Å; R234-L236 HydrophobicContact CB-CD1 4.41Å; R234-L236 HydrophobicContact CB-CG 4.18Å |
| 235 | I | 93 | Very high | 79.7 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 93.3 | 172.7 | -56.9 | 165.9 | 0 | 0 | 0 | 104.8 | I24 I59 R62 A63 P66 V73 I74 Q76 I233 | I24-I235 HydrophobicContact CG2-CG2 3.55Å; I59-I235 HydrophobicContact CD1-CB 4.35Å; I59-I235 HydrophobicContact CD1-CG2 3.64Å; R62-I235 HydrophobicContact CB-CD1 3.97Å; R62-I235 HydrophobicContact CB-CG2 4.2Å; R62-I235 WeakPolarHBondContact O-CD1 3.39Å; A63-I235 VanDerWaalsContact CA-CD1 3.46Å; A63-I235 HydrophobicContact CB-CD1 3.56Å; P66-I235 HydrophobicContact CG-CD1 4.47Å; V73-I235 HydrophobicContact CG1-CD1 4.4Å; I74-I235 PolarHBondContact O-N 3.32Å; Q76-I235 PolarHBondContact N-O 3.11Å; I233-I235 HydrophobicContact CG2-CD1 4.31Å; I233-I235 HydrophobicContact CG2-CG1 4.11Å |
| 236 | L | 89 | Confident | 78.9 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.225 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 149.3 | -171.2 | -56 | -179.2 | 0 | 0 | 0 | 110.6 | I24 E25 I74 Q76 M217 R234 | I24-L236 CarbonylContact C-O 3.3Å; I24-L236 VanDerWaalsContact CA-O 3.27Å; I24-L236 WeakPolarHBondContact CA-O 3.43Å; E25-L236 PolarHBondContact N-O 3.25Å; E25-L236 PolarHBondContact O-N 3.11Å; I74-L236 HydrophobicContact CG2-CD2 4.07Å; Q76-L236 HydrophobicContact CB-CD2 3.94Å; M217-L236 HydrophobicContact CE-CD2 4.44Å; M217-L236 HydrophobicContact CG-CD2 4.32Å; R234-L236 HydrophobicContact CB-CD1 4.41Å; R234-L236 HydrophobicContact CB-CG 4.18Å |
| 237 | V | 78.8 | Confident | 78.4 | Confident | 17 Ų | 17 | 65.4 Ų | 65.4 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.6 | 174 | 174.4 | 0 | 0 | 0 | 0 | 107.9 | V23 Q76 K239 E241 L242 | V23-V237 HydrophobicContact CG1-CG1 3.89Å; Q76-V237 WeakPolarHBondContact O-CG2 3.03Å; V237-K239 PolarHBondContact O-N 3.06Å; V237-E241 HydrophobicContact CG1-CB 4.4Å; V237-L242 HydrophobicContact CB-CD2 4.43Å; V237-L242 HydrophobicContact CG1-CD2 4.24Å |
| 238 | K | 67.3 | Low | 78.4 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | trans | -55.8 | 136.1 | 174 | -75.1 | 179.6 | -179.3 | 164.7 | 0 | 110.1 | G22 V23 E25 E240 E241 | G22-K238 WeakPolarHBondContact O-CE 3.32Å; G22-K238 PolarHBondContact O-NZ 3.22Å; V23-K238 PolarHBondContact O-N 3.08Å; E25-K238 HydrophobicContact CG-CG 4.06Å; K238-E240 PolarHBondContact O-N 2.98Å; K238-E240 VanDerWaalsContact O-N 3.14Å; K238-E241 PolarHBondContact O-N 3.22Å | ||
| 239 | K | 61 | Low | 78.5 | Confident | 173 Ų | 173 | 63.5 Ų | 63.5 | 75% | 0.752 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -55.4 | -36.3 | -175.2 | -71.4 | -177.1 | 178.3 | 179.9 | 0 | 113.2 | V237 E241 L242 | V237-K239 PolarHBondContact O-N 3.06Å; K239-E241 PolarHBondContact O-N 3.16Å; K239-L242 PolarHBondContact O-N 2.9Å |
| 240 | E | 55.8 | Low | 78.5 | Confident | 146 Ų | 146 | 62.9 Ų | 62.9 | 68% | 0.682 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -65 | -18.9 | -177.3 | -65.1 | 169 | -171.3 | 0 | 0 | 112.7 | K238 | K238-E240 PolarHBondContact O-N 2.98Å; K238-E240 VanDerWaalsContact O-N 3.14Å |
| 241 | E | 58 | Low | 78.7 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -111 | 16.2 | -176.1 | -57.5 | -170 | -142.4 | 0 | 0 | 112.5 | V23 Q78 V237 K238 K239 T243 | V23-E241 WeakPolarHBondContact CB-OE2 3.49Å; V23-E241 HydrophobicContact CG1-CB 4.03Å; V23-E241 HydrophobicContact CG1-CG 4.47Å; V23-E241 WeakPolarHBondContact CG1-OE2 3.21Å; V23-E241 WeakPolarHBondContact CG2-OE2 3.48Å; Q78-E241 PolarHBondContact NE2-O 3.17Å; V237-E241 HydrophobicContact CG1-CB 4.4Å; K238-E241 PolarHBondContact O-N 3.22Å; K239-E241 PolarHBondContact O-N 3.16Å; E241-T243 PolarHBondContact O-N 3.16Å |
| 242 | L | 57 | Low | 78.8 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -76.1 | -7.7 | 173.1 | -73 | 169.4 | 0 | 0 | 0 | 113 | Q78 V237 K239 Y392 | Q78-L242 PolarHBondContact NE2-O 2.86Å; Q78-L242 VanDerWaalsContact NE2-O 3.1Å; V237-L242 HydrophobicContact CB-CD2 4.43Å; V237-L242 HydrophobicContact CG1-CD2 4.24Å; K239-L242 PolarHBondContact O-N 2.9Å; L242-Y392 HydrophobicContact CB-CD1 4.46Å | ||
| 243 | T | 56.6 | Low | 78.7 | Confident | 34 Ų | 34 | 56 Ų | 56 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -68.2 | 143 | 174.2 | 55 | 0 | 0 | 0 | 0 | 110.3 | Q78 E241 E245 Y392 | Q78-T243 PolarHBondContact NE2-O 2.73Å; E241-T243 PolarHBondContact O-N 3.16Å; T243-E245 PolarHBondContact O-N 3.26Å; T243-E245 VanDerWaalsContact O-N 3.17Å; T243-Y392 WeakPolarHBondContact CG2-O 3.36Å |
| 244 | L | 63.2 | Low | 78.6 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | trans | -87.4 | 86.9 | -178.8 | -71.3 | 148.2 | 0 | 0 | 0 | 108 | Q78 G246 I247 I358 I361 G362 | Q78-L244 VanDerWaalsContact OE1-CD2 3.29Å; L244-G246 PolarHBondContact O-N 2.94Å; L244-G246 VanDerWaalsContact O-N 3.12Å; L244-I247 HydrophobicContact CB-CB 4.38Å; L244-I247 HydrophobicContact CB-CD1 3.64Å; L244-I247 HydrophobicContact CB-CG1 3.84Å; L244-I247 HydrophobicContact CD1-CD1 3.81Å; L244-I247 HydrophobicContact CG-CD1 4.2Å; L244-I247 PolarHBondContact O-N 3.06Å; L244-I358 HydrophobicContact CD1-CB 4.42Å; L244-I361 HydrophobicContact CD1-CD1 4.24Å; L244-I361 HydrophobicContact CD1-CG1 3.85Å; L244-G362 VanDerWaalsContact CD1-CA 3.41Å | ||
| 245 | E | 63.7 | Low | 78.5 | Confident | 145 Ų | 145 | 54.3 Ų | 54.3 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 118.8 | 168 | -67.4 | -171.4 | 162.6 | 0 | 0 | 108.7 | T243 | T243-E245 PolarHBondContact O-N 3.26Å; T243-E245 VanDerWaalsContact O-N 3.17Å |
| 246 | G | 73.5 | Confident | 78.6 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.3 | -8.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L244 K370 G371 | L244-G246 PolarHBondContact O-N 2.94Å; L244-G246 VanDerWaalsContact O-N 3.12Å; G246-K370 WeakPolarHBondContact O-CA 3.36Å; G246-G371 PolarHBondContact O-N 3.37Å |
| 247 | I | 81.5 | Confident | 78.9 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 113.2 | 175 | -50.6 | -171.3 | 0 | 0 | 0 | 110.5 | L244 Q249 I361 G371 A373 | L244-I247 HydrophobicContact CB-CB 4.38Å; L244-I247 HydrophobicContact CB-CD1 3.64Å; L244-I247 HydrophobicContact CB-CG1 3.84Å; L244-I247 HydrophobicContact CD1-CD1 3.81Å; L244-I247 HydrophobicContact CG-CD1 4.2Å; L244-I247 PolarHBondContact O-N 3.06Å; I247-Q249 HydrophobicContact CG2-CG 4.34Å; I247-I361 HydrophobicContact CD1-CG1 4.47Å; I247-I361 WeakPolarHBondContact CD1-O 3.11Å; I247-G371 CarbonylContact C-O 3.5Å; I247-G371 WeakPolarHBondContact CA-O 3.49Å; I247-A373 HydrophobicContact CG2-CB 3.98Å |
| 248 | K | 87.6 | Confident | 79.6 | Confident | 86 Ų | 86 | 67 Ų | 67 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128.8 | 169.4 | -66.4 | -178 | -180 | 171 | 0 | 108.9 | F250 G371 V372 A373 L406 | K248-F250 HydrophobicContact CB-CE2 3.71Å; K248-F250 HydrophobicContact CB-CZ 3.96Å; K248-F250 HydrophobicContact CD-CE2 4.35Å; K248-F250 HydrophobicContact CD-CZ 4.19Å; K248-G371 PolarHBondContact N-O 3.37Å; K248-V372 HydrophobicContact CB-CG2 4.38Å; K248-V372 CarbonylContact O-C 3.57Å; K248-V372 WeakPolarHBondContact O-CA 3.22Å; K248-A373 PolarHBondContact O-N 2.7Å; K248-L406 HydrophobicContact CD-CB 4.31Å; K248-L406 HydrophobicContact CD-CD2 4.45Å |
| 249 | Q | 92.1 | Very high | 81 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 118.5 | -174.1 | -65.1 | 166.7 | 77 | 0 | 0 | 108.8 | I247 Y357 I361 A373 T394 V396 E397 | I247-Q249 HydrophobicContact CG2-CG 4.34Å; Q249-Y357 VanDerWaalsContact OE1-CE1 3.32Å; Q249-Y357 PolarHBondContact OE1-OH 3.38Å; Q249-I361 HydrophobicContact CG-CD1 4.12Å; Q249-A373 HydrophobicContact CG-CB 4.42Å; Q249-T394 PolarHBondContact NE2-OG1 3.42Å; Q249-V396 HydrophobicContact CB-CB 4.49Å; Q249-V396 HydrophobicContact CB-CG1 4.28Å; Q249-V396 HydrophobicContact CB-CG2 4.12Å; Q249-E397 PolarHBondContact O-N 3.09Å |
| 250 | F | 94.6 | Very high | 82.8 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.6 | 178.9 | -59.3 | -67 | 0 | 0 | 0 | 111.6 | K248 V372 A373 I374 N375 V396 E397 M399 P400 L406 | K248-F250 HydrophobicContact CB-CE2 3.71Å; K248-F250 HydrophobicContact CB-CZ 3.96Å; K248-F250 HydrophobicContact CD-CE2 4.35Å; K248-F250 HydrophobicContact CD-CZ 4.19Å; F250-V372 HydrophobicContact CD2-CG1 3.71Å; F250-V372 HydrophobicContact CE2-CG1 3.9Å; F250-A373 PolarHBondContact N-O 3.06Å; F250-I374 CarbonylContact O-C 3.57Å; F250-I374 WeakPolarHBondContact O-CA 3.45Å; F250-N375 PolarHBondContact O-N 3.29Å; F250-N375 PolarHBondContact O-ND2 2.79Å; F250-V396 VanDerWaalsContact C-CG1 3.47Å; F250-E397 CarbonylContact C-O 3.53Å; F250-E397 WeakPolarHBondContact CA-O 3.42Å; F250-E397 HydrophobicContact CD1-CB 4.03Å; F250-E397 HydrophobicContact CE1-CB 4.25Å; F250-M399 HydrophobicContact CB-CB 3.98Å; F250-M399 HydrophobicContact CB-CG 4.18Å; F250-M399 HydrophobicContact CG-CB 4.47Å; F250-M399 HydrophobicContact CG-CG 4.35Å; F250-P400 HydrophobicContact CE1-CG 4.4Å; F250-L406 HydrophobicContact CE1-CD1 4.27Å; F250-L406 HydrophobicContact CE2-CD1 3.99Å; F250-L406 HydrophobicContact CZ-CD1 3.49Å; F250-L406 VanDerWaalsContact CZ-CD1 3.49Å |
| 251 | Y | 96.6 | Very high | 84.7 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 22% | 0.224 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.5 | 163.9 | 76.4 | -94.6 | 0 | 0 | 0 | 111.5 | N253 N375 V377 L385 V396 E397 E398 M399 | Y251-N253 HydrophobicContact CE2-CB 4.27Å; Y251-N375 CarbonylContact C-O 3.56Å; Y251-N375 WeakPolarHBondContact CA-O 3.32Å; Y251-V377 HydrophobicContact CG-CG2 4.48Å; Y251-L385 HydrophobicContact CD1-CD2 3.97Å; Y251-L385 HydrophobicContact CG-CD2 4Å; Y251-V396 HydrophobicContact CD1-CG1 4.15Å; Y251-V396 WeakPolarHBondContact CD1-O 3.38Å; Y251-V396 WeakPolarHBondContact CE1-O 3.44Å; Y251-E397 WeakPolarHBondContact CD1-O 3.29Å; Y251-E397 PolarHBondContact N-O 3.33Å; Y251-E398 HydrophobicContact CE1-CB 3.9Å; Y251-E398 HydrophobicContact CE2-CB 4.15Å; Y251-E398 HydrophobicContact CE2-CG 3.92Å; Y251-E398 PolarHBondContact OH-OE2 2.66Å; Y251-M399 WeakPolarHBondContact O-CB 3.44Å; Y251-M399 PolarHBondContact O-N 2.99Å |
| 252 | I | 96.5 | Very high | 86.5 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.6 | 165.8 | -54 | -179.2 | 0 | 0 | 0 | 106.9 | V254 T263 L267 I374 N375 F376 V377 M399 | I252-V254 HydrophobicContact CG2-CG1 4.21Å; I252-V254 PolarHBondContact O-N 3.28Å; I252-V254 VanDerWaalsContact O-N 3.16Å; I252-T263 HydrophobicContact CD1-CG2 3.8Å; I252-T263 HydrophobicContact CG2-CG2 3.91Å; I252-L267 HydrophobicContact CD1-CD1 3.91Å; I252-L267 HydrophobicContact CD1-CD2 4.08Å; I252-L267 HydrophobicContact CD1-CG 4.25Å; I252-I374 HydrophobicContact CD1-CG2 3.94Å; I252-I374 HydrophobicContact CG1-CG2 3.97Å; I252-N375 PolarHBondContact N-O 3.37Å; I252-F376 HydrophobicContact CB-CD1 4.26Å; I252-F376 HydrophobicContact CD1-CD1 4.37Å; I252-F376 HydrophobicContact CD1-CE1 3.84Å; I252-F376 HydrophobicContact CG1-CE1 4.49Å; I252-V377 PolarHBondContact O-N 3.1Å; I252-M399 HydrophobicContact CD1-CE 3.4Å; I252-M399 HydrophobicContact CD1-SD 3.57Å; I252-M399 VanDerWaalsContact CD1-SD 3.57Å; I252-M399 HydrophobicContact CG1-CB 3.89Å; I252-M399 HydrophobicContact CG1-CE 3.87Å; I252-M399 HydrophobicContact CG1-SD 3.83Å |
| 253 | N | 95.2 | Very high | 88.3 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 101.4 | 171 | -176.2 | 16.3 | 0 | 0 | 0 | 108.7 | Y251 E255 V377 | Y251-N253 HydrophobicContact CE2-CB 4.27Å; N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact OD1-N 3.33Å; N253-E255 VanDerWaalsContact OD1-N 3.12Å; N253-V377 CarbonylContact C-O 3.58Å; N253-V377 WeakPolarHBondContact CA-O 3.32Å; N253-V377 PolarHBondContact OD1-O 3.25Å |
| 254 | V | 95.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -5.8 | 178.2 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | I252 R256 K260 T263 F376 V377 T378 | I252-V254 HydrophobicContact CG2-CG1 4.21Å; I252-V254 PolarHBondContact O-N 3.28Å; I252-V254 VanDerWaalsContact O-N 3.16Å; V254-R256 PolarHBondContact O-N 2.93Å; V254-K260 HydrophobicContact CB-CG 4.25Å; V254-K260 HydrophobicContact CG1-CG 4.24Å; V254-K260 HydrophobicContact CG2-CD 4.5Å; V254-K260 HydrophobicContact CG2-CG 3.67Å; V254-T263 HydrophobicContact CG1-CG2 4.08Å; V254-F376 HydrophobicContact CG1-CB 4.37Å; V254-F376 HydrophobicContact CG1-CG 4.3Å; V254-V377 VanDerWaalsContact CG2-O 3.29Å; V254-V377 WeakPolarHBondContact CG2-O 3.38Å; V254-V377 PolarHBondContact N-O 3.19Å; V254-T378 HydrophobicContact CG2-CG2 3.97Å |
| 255 | E | 92.7 | Very high | 91.6 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | -54.3 | -173.6 | -56.9 | -175.2 | -178.5 | 0 | 0 | 114.7 | N253 W259 E379 | N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact OD1-N 3.33Å; N253-E255 VanDerWaalsContact OD1-N 3.12Å; E255-W259 HydrophobicContact CB-CE3 4.22Å; E255-W259 HydrophobicContact CB-CZ3 3.89Å; E255-W259 HydrophobicContact CG-CZ3 4.22Å; E255-W259 WeakPolarHBondContact OE2-CZ3 3.33Å; E255-E379 PolarHBondContact O-N 3.23Å |
| 256 | R | 93.9 | Very high | 92.9 | Very high | 135 Ų | 135 | 49.8 Ų | 49.8 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -120.7 | 148.1 | -175.9 | -56.4 | -173.8 | -175.8 | -170.5 | 1.4 | 112 | V254 E258 W259 | V254-R256 PolarHBondContact O-N 2.93Å; R256-E258 VanDerWaalsContact C-N 3.33Å; R256-E258 HydrophobicContact CB-CG 4.08Å; R256-E258 WeakPolarHBondContact CD-OE1 3.41Å; R256-E258 IonicContact NH1-OE1 2.79Å; R256-E258 PolarHBondContact O-N 3.42Å; R256-W259 HydrophobicContact CB-CD2 4.23Å; R256-W259 HydrophobicContact CB-CG 4.35Å; R256-W259 HydrophobicContact CG-CZ2 4.48Å; R256-W259 PolarHBondContact O-N 3.33Å |
| 257 | E | 95.2 | Very high | 93.7 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 34% | 0.336 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -60.4 | -40 | 179.1 | -179.6 | 56 | -146.7 | 0 | 0 | 112.7 | W259 K260 K285 | E257-W259 PolarHBondContact O-N 2.83Å; E257-K260 WeakPolarHBondContact O-CB 3.44Å; E257-K260 PolarHBondContact O-N 2.78Å; E257-K260 WeakPolarHBondContact OE2-CD 3.39Å; E257-K260 VanDerWaalsContact OE2-CE 3.3Å; E257-K260 WeakPolarHBondContact OE2-CE 3.39Å; E257-K260 IonicContact OE2-NZ 3.54Å; E257-K260 PolarHBondContact OE2-NZ 2.88Å; E257-K285 WeakPolarHBondContact OE1-CE 3.42Å; E257-K285 IonicContact OE1-NZ 2.75Å; E257-K285 PolarHBondContact OE1-NZ 2.78Å; E257-K285 IonicContact OE2-NZ 3.9Å |
| 258 | E | 94.7 | Very high | 94 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -62 | -23.5 | 179.5 | 60.3 | -122.2 | -149.7 | 0 | 0 | 114.3 | R256 | R256-E258 VanDerWaalsContact C-N 3.33Å; R256-E258 HydrophobicContact CB-CG 4.08Å; R256-E258 WeakPolarHBondContact CD-OE1 3.41Å; R256-E258 IonicContact NH1-OE1 2.79Å; R256-E258 PolarHBondContact O-N 3.42Å |
| 259 | W | 96.6 | Very high | 93.8 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -84.1 | -15.7 | -177.4 | -63.3 | -7.7 | 0 | 0 | 0 | 113 | E255 R256 E257 L261 D262 T263 | E255-W259 HydrophobicContact CB-CE3 4.22Å; E255-W259 HydrophobicContact CB-CZ3 3.89Å; E255-W259 HydrophobicContact CG-CZ3 4.22Å; E255-W259 WeakPolarHBondContact OE2-CZ3 3.33Å; R256-W259 HydrophobicContact CB-CD2 4.23Å; R256-W259 HydrophobicContact CB-CG 4.35Å; R256-W259 HydrophobicContact CG-CZ2 4.48Å; R256-W259 PolarHBondContact O-N 3.33Å; E257-W259 PolarHBondContact O-N 2.83Å; W259-L261 VanDerWaalsContact C-N 3.25Å; W259-L261 PolarHBondContact O-N 2.87Å; W259-D262 PolarHBondContact O-N 2.61Å; W259-T263 PolarHBondContact O-N 3.05Å; W259-T263 PolarHBondContact O-OG1 2.98Å; W259-T263 VanDerWaalsContact O-OG1 3.05Å |
| 260 | K | 97.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.009 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 178.8 | -72.1 | -174.5 | 173.8 | 168.6 | 0 | 113.3 | V254 E257 L264 Y348 D349 F376 D381 | V254-K260 HydrophobicContact CB-CG 4.25Å; V254-K260 HydrophobicContact CG1-CG 4.24Å; V254-K260 HydrophobicContact CG2-CD 4.5Å; V254-K260 HydrophobicContact CG2-CG 3.67Å; E257-K260 WeakPolarHBondContact O-CB 3.44Å; E257-K260 PolarHBondContact O-N 2.78Å; E257-K260 WeakPolarHBondContact OE2-CD 3.39Å; E257-K260 VanDerWaalsContact OE2-CE 3.3Å; E257-K260 WeakPolarHBondContact OE2-CE 3.39Å; E257-K260 IonicContact OE2-NZ 3.54Å; E257-K260 PolarHBondContact OE2-NZ 2.88Å; K260-L264 WeakPolarHBondContact O-CB 3.39Å; K260-L264 PolarHBondContact O-N 3.07Å; K260-Y348 HydrophobicContact CB-CD1 4.5Å; K260-Y348 HydrophobicContact CB-CE1 3.73Å; K260-Y348 HydrophobicContact CB-CE2 3.77Å; K260-Y348 VanDerWaalsContact CB-OH 3.28Å; K260-Y348 WeakPolarHBondContact CB-OH 3.12Å; K260-Y348 HydrophobicContact CD-CD1 3.91Å; K260-Y348 HydrophobicContact CD-CE1 3.65Å; K260-Y348 VanDerWaalsContact CD-O 3.3Å; K260-Y348 WeakPolarHBondContact CD-O 3.24Å; K260-Y348 WeakPolarHBondContact CE-O 3.35Å; K260-Y348 HydrophobicContact CG-CE1 4.35Å; K260-Y348 PolarHBondContact NZ-O 3.37Å; K260-D349 IonicContact NZ-OD1 2.57Å; K260-D349 PolarHBondContact NZ-OD1 3.25Å; K260-F376 HydrophobicContact CB-CD2 3.82Å; K260-F376 HydrophobicContact CB-CE2 4.3Å; K260-F376 HydrophobicContact CD-CB 4.11Å; K260-F376 HydrophobicContact CD-CD2 4.21Å; K260-F376 HydrophobicContact CG-CB 4.13Å; K260-F376 HydrophobicContact CG-CD2 3.85Å; K260-F376 HydrophobicContact CG-CG 4.42Å; K260-F376 VanDerWaalsContact O-CE2 3.26Å; K260-F376 WeakPolarHBondContact O-CE2 3.34Å; K260-D381 IonicContact NZ-OD2 2.63Å |
| 261 | L | 96.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -45.9 | -179.7 | 176.5 | 62.6 | 0 | 0 | 0 | 111.4 | W259 L264 C265 W288 L289 K292 M293 Y348 | W259-L261 VanDerWaalsContact C-N 3.25Å; W259-L261 PolarHBondContact O-N 2.87Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.08Å; L261-C265 PolarHBondContact O-N 3.24Å; L261-C265 VanDerWaalsContact O-N 3.09Å; L261-C265 PolarHBondContact O-SG 3.48Å; L261-C265 VanDerWaalsContact O-SG 3.37Å; L261-W288 HydrophobicContact CB-CH2 4.3Å; L261-W288 HydrophobicContact CD2-CH2 4.43Å; L261-L289 HydrophobicContact CD1-CD1 3.77Å; L261-K292 HydrophobicContact CD1-CB 3.96Å; L261-K292 HydrophobicContact CD2-CB 3.85Å; L261-K292 HydrophobicContact CD2-CD 4.39Å; L261-K292 HydrophobicContact CD2-CG 4.05Å; L261-M293 HydrophobicContact CD1-SD 4.49Å; L261-Y348 PolarHBondContact N-OH 3.12Å |
| 262 | D | 95.5 | Very high | 91.6 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 179.3 | -66.4 | -27.8 | 0 | 0 | 0 | 110.5 | W259 L264 C265 D266 R296 | W259-D262 PolarHBondContact O-N 2.61Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 2.99Å; D262-C265 PolarHBondContact O-N 3.24Å; D262-C265 VanDerWaalsContact O-N 3.08Å; D262-D266 PolarHBondContact O-N 3.24Å; D262-R296 IonicContact OD1-CZ 3.2Å; D262-R296 IonicContact OD1-NH1 2.77Å; D262-R296 PolarHBondContact OD1-NH1 3.09Å; D262-R296 IonicContact OD1-NH2 2.69Å; D262-R296 PolarHBondContact OD1-NH2 3.15Å |
| 263 | T | 95.5 | Very high | 90.6 | Very high | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 173.4 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | I252 V254 W259 D266 L267 F376 | I252-T263 HydrophobicContact CD1-CG2 3.8Å; I252-T263 HydrophobicContact CG2-CG2 3.91Å; V254-T263 HydrophobicContact CG1-CG2 4.08Å; W259-T263 PolarHBondContact O-N 3.05Å; W259-T263 PolarHBondContact O-OG1 2.98Å; W259-T263 VanDerWaalsContact O-OG1 3.05Å; T263-D266 PolarHBondContact O-N 3.34Å; T263-L267 WeakPolarHBondContact O-CG 3.35Å; T263-L267 PolarHBondContact O-N 3.28Å; T263-L267 VanDerWaalsContact O-N 3.09Å; T263-F376 HydrophobicContact CG2-CE1 3.86Å; T263-F376 HydrophobicContact CG2-CE2 4.44Å; T263-F376 HydrophobicContact CG2-CZ 3.78Å |
| 264 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 175.8 | -173.4 | 64.1 | 0 | 0 | 0 | 111.1 | K260 L261 D262 D266 L267 Y268 I278 L289 M293 I346 Y348 F376 | K260-L264 WeakPolarHBondContact O-CB 3.39Å; K260-L264 PolarHBondContact O-N 3.07Å; L261-L264 WeakPolarHBondContact O-CB 3.43Å; L261-L264 PolarHBondContact O-N 3.08Å; D262-L264 VanDerWaalsContact C-N 3.28Å; D262-L264 PolarHBondContact O-N 2.99Å; L264-D266 PolarHBondContact O-N 3.04Å; L264-L267 WeakPolarHBondContact O-CB 3.39Å; L264-L267 PolarHBondContact O-N 3.23Å; L264-Y268 HydrophobicContact CD1-CD2 4.18Å; L264-Y268 HydrophobicContact CD1-CE2 3.84Å; L264-Y268 HydrophobicContact CG-CD2 4.11Å; L264-Y268 HydrophobicContact CG-CE2 4.06Å; L264-Y268 VanDerWaalsContact O-CD2 3.31Å; L264-Y268 WeakPolarHBondContact O-CD2 3.42Å; L264-Y268 PolarHBondContact O-N 2.88Å; L264-Y268 VanDerWaalsContact O-N 3.13Å; L264-I278 HydrophobicContact CD1-CD1 4.02Å; L264-I278 HydrophobicContact CD2-CD1 3.98Å; L264-L289 HydrophobicContact CD2-CD1 3.94Å; L264-L289 HydrophobicContact CD2-CD2 4.02Å; L264-L289 HydrophobicContact CD2-CG 4.4Å; L264-M293 HydrophobicContact CD2-CE 4.13Å; L264-M293 HydrophobicContact CD2-CG 4.46Å; L264-M293 HydrophobicContact CD2-SD 3.74Å; L264-M293 HydrophobicContact CG-CE 4.44Å; L264-M293 HydrophobicContact CG-SD 4.32Å; L264-I346 HydrophobicContact CD1-CD1 3.62Å; L264-I346 HydrophobicContact CD1-CG2 4.17Å; L264-Y348 HydrophobicContact CB-CE2 4.34Å; L264-Y348 HydrophobicContact CD2-CD2 4.06Å; L264-Y348 HydrophobicContact CD2-CE2 4.03Å; L264-F376 HydrophobicContact CB-CE2 3.95Å; L264-F376 HydrophobicContact CB-CZ 4.15Å; L264-F376 HydrophobicContact CD1-CE2 4.3Å; L264-F376 HydrophobicContact CD1-CZ 4.17Å |
| 265 | C | 92.8 | Very high | 89.6 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 179.2 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | L261 D262 L267 Y268 E269 R296 F298 | L261-C265 PolarHBondContact O-N 3.24Å; L261-C265 VanDerWaalsContact O-N 3.09Å; L261-C265 PolarHBondContact O-SG 3.48Å; L261-C265 VanDerWaalsContact O-SG 3.37Å; D262-C265 PolarHBondContact O-N 3.24Å; D262-C265 VanDerWaalsContact O-N 3.08Å; C265-L267 VanDerWaalsContact C-N 3.28Å; C265-L267 PolarHBondContact O-N 3.13Å; C265-Y268 WeakPolarHBondContact O-CA 3.48Å; C265-Y268 WeakPolarHBondContact O-CB 2.92Å; C265-Y268 PolarHBondContact O-N 2.98Å; C265-E269 PolarHBondContact O-N 3.4Å; C265-R296 WeakPolarHBondContact SG-CD 3.05Å; C265-R296 PolarHBondContact SG-NH1 3.25Å; C265-F298 HydrophobicContact CB-CE2 4Å; C265-F298 HydrophobicContact CB-CZ 4.24Å; C265-F298 VanDerWaalsContact SG-CE2 3.58Å |
| 266 | D | 91.2 | Very high | 89.5 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 177.5 | -64.7 | -14 | 0 | 0 | 0 | 111.9 | D262 T263 L264 Y268 E269 T270 | D262-D266 PolarHBondContact O-N 3.24Å; T263-D266 PolarHBondContact O-N 3.34Å; L264-D266 PolarHBondContact O-N 3.04Å; D266-Y268 VanDerWaalsContact C-N 3.34Å; D266-Y268 PolarHBondContact O-N 3.36Å; D266-E269 PolarHBondContact O-N 3.44Å; D266-T270 WeakPolarHBondContact O-CG2 3.5Å; D266-T270 PolarHBondContact O-N 3.28Å; D266-T270 VanDerWaalsContact O-N 3.17Å; D266-T270 PolarHBondContact O-OG1 3.43Å |
| 267 | L | 90.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.1 | -75.3 | 180 | 0 | 0 | 0 | 112.3 | I252 T263 L264 C265 E269 T270 L271 I346 I374 F376 M399 | I252-L267 HydrophobicContact CD1-CD1 3.91Å; I252-L267 HydrophobicContact CD1-CD2 4.08Å; I252-L267 HydrophobicContact CD1-CG 4.25Å; T263-L267 WeakPolarHBondContact O-CG 3.35Å; T263-L267 PolarHBondContact O-N 3.28Å; T263-L267 VanDerWaalsContact O-N 3.09Å; L264-L267 WeakPolarHBondContact O-CB 3.39Å; L264-L267 PolarHBondContact O-N 3.23Å; C265-L267 VanDerWaalsContact C-N 3.28Å; C265-L267 PolarHBondContact O-N 3.13Å; L267-E269 VanDerWaalsContact C-N 3.3Å; L267-E269 PolarHBondContact O-N 3Å; L267-T270 WeakPolarHBondContact CA-OG1 3.49Å; L267-T270 PolarHBondContact O-N 2.89Å; L267-T270 PolarHBondContact O-OG1 3.18Å; L267-L271 HydrophobicContact CB-CD1 4.34Å; L267-L271 HydrophobicContact CD2-CD1 4.04Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L267-I346 HydrophobicContact CD1-CD1 4.48Å; L267-I374 HydrophobicContact CD1-CD1 4.15Å; L267-I374 HydrophobicContact CD1-CG2 4.26Å; L267-I374 HydrophobicContact CD2-CD1 4.39Å; L267-F376 HydrophobicContact CD1-CE1 3.67Å; L267-F376 HydrophobicContact CD1-CZ 3.77Å; L267-M399 HydrophobicContact CD2-CE 3.79Å; L267-M399 HydrophobicContact CD2-SD 3.88Å |
| 268 | Y | 86.8 | Confident | 89.4 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -28.6 | 177.7 | -90.6 | -84.9 | 0 | 0 | 0 | 113.2 | L264 C265 D266 I273 I278 M293 F298 V326 I346 | L264-Y268 HydrophobicContact CD1-CD2 4.18Å; L264-Y268 HydrophobicContact CD1-CE2 3.84Å; L264-Y268 HydrophobicContact CG-CD2 4.11Å; L264-Y268 HydrophobicContact CG-CE2 4.06Å; L264-Y268 VanDerWaalsContact O-CD2 3.31Å; L264-Y268 WeakPolarHBondContact O-CD2 3.42Å; L264-Y268 PolarHBondContact O-N 2.88Å; L264-Y268 VanDerWaalsContact O-N 3.13Å; C265-Y268 WeakPolarHBondContact O-CA 3.48Å; C265-Y268 WeakPolarHBondContact O-CB 2.92Å; C265-Y268 PolarHBondContact O-N 2.98Å; D266-Y268 VanDerWaalsContact C-N 3.34Å; D266-Y268 PolarHBondContact O-N 3.36Å; Y268-I273 HydrophobicContact CD1-CD1 3.45Å; Y268-I273 VanDerWaalsContact CD1-CD1 3.45Å; Y268-I273 HydrophobicContact CD2-CD1 4.4Å; Y268-I273 HydrophobicContact CE1-CD1 3.27Å; Y268-I273 HydrophobicContact CE2-CD1 4.28Å; Y268-I273 HydrophobicContact CG-CD1 4Å; Y268-I278 HydrophobicContact CE2-CD1 4.04Å; Y268-M293 HydrophobicContact CD2-CE 3.87Å; Y268-M293 HydrophobicContact CE2-CE 3.84Å; Y268-M293 HydrophobicContact CG-CE 4.46Å; Y268-F298 VanDerWaalsContact CB-CE1 3.46Å; Y268-F298 HydrophobicContact CD1-CD1 4.32Å; Y268-F298 HydrophobicContact CD1-CE1 4.42Å; Y268-F298 HydrophobicContact CG-CD1 4.25Å; Y268-F298 HydrophobicContact CG-CE1 4.06Å; Y268-V326 HydrophobicContact CE1-CG2 3.44Å; Y268-V326 VanDerWaalsContact CE1-CG2 3.44Å; Y268-V326 WeakPolarHBondContact OH-CG1 3.48Å; Y268-V326 WeakPolarHBondContact OH-CG2 3.4Å; Y268-I346 HydrophobicContact CE2-CD1 4.49Å |
| 269 | E | 84.1 | Confident | 89.4 | Confident | 152 Ų | 152 | 40.5 Ų | 40.5 | 71% | 0.71 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -76.3 | -28.4 | 175.8 | -69.2 | -177.4 | -174.2 | 0 | 0 | 112.6 | C265 D266 L267 | C265-E269 PolarHBondContact O-N 3.4Å; D266-E269 PolarHBondContact O-N 3.44Å; L267-E269 VanDerWaalsContact C-N 3.3Å; L267-E269 PolarHBondContact O-N 3Å |
| 270 | T | 82.1 | Confident | 89.4 | Confident | 89 Ų | 89 | 35.5 Ų | 35.5 | 55% | 0.546 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -96.7 | -28.8 | -174.2 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | D266 L267 | D266-T270 WeakPolarHBondContact O-CG2 3.5Å; D266-T270 PolarHBondContact O-N 3.28Å; D266-T270 VanDerWaalsContact O-N 3.17Å; D266-T270 PolarHBondContact O-OG1 3.43Å; L267-T270 WeakPolarHBondContact CA-OG1 3.49Å; L267-T270 PolarHBondContact O-N 2.89Å; L267-T270 PolarHBondContact O-OG1 3.18Å |
| 271 | L | 80.4 | Confident | 89.3 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -101.7 | 135.1 | -174 | -62.5 | 177.6 | 0 | 0 | 0 | 112.6 | L267 I273 L344 I374 V403 A404 I407 | L267-L271 HydrophobicContact CB-CD1 4.34Å; L267-L271 HydrophobicContact CD2-CD1 4.04Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.32Å; L267-L271 WeakPolarHBondContact O-CG 3.46Å; L267-L271 PolarHBondContact O-N 3.21Å; L271-I273 HydrophobicContact CB-CD1 4.4Å; L271-I273 HydrophobicContact CB-CG1 4Å; L271-I273 PolarHBondContact O-N 3.06Å; L271-L344 HydrophobicContact CD1-CD2 4.13Å; L271-I374 HydrophobicContact CD1-CD1 4.28Å; L271-V403 HydrophobicContact CD2-CG1 3.81Å; L271-A404 HydrophobicContact CD2-CB 4.11Å; L271-I407 HydrophobicContact CB-CD1 4.49Å; L271-I407 HydrophobicContact CD1-CD1 3.58Å; L271-I407 HydrophobicContact CD2-CD1 3.64Å; L271-I407 HydrophobicContact CG-CD1 4.09Å |
| 272 | T | 75.6 | Confident | 89.2 | Confident | 132 Ų | 132 | 40.4 Ų | 40.4 | 81% | 0.81 | 22% | 0.224 | S | C | * | . | trans | -81.6 | 96.7 | 166.7 | -59 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 273 | I | 74.6 | Confident | 89.1 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | trans | -89.2 | 118.6 | -176.8 | -62.3 | 166 | 0 | 0 | 0 | 110 | Y268 L271 A276 L344 | Y268-I273 HydrophobicContact CD1-CD1 3.45Å; Y268-I273 VanDerWaalsContact CD1-CD1 3.45Å; Y268-I273 HydrophobicContact CD2-CD1 4.4Å; Y268-I273 HydrophobicContact CE1-CD1 3.27Å; Y268-I273 HydrophobicContact CE2-CD1 4.28Å; Y268-I273 HydrophobicContact CG-CD1 4Å; L271-I273 HydrophobicContact CB-CD1 4.4Å; L271-I273 HydrophobicContact CB-CG1 4Å; L271-I273 PolarHBondContact O-N 3.06Å; I273-A276 HydrophobicContact CG2-CB 3.57Å; I273-L344 HydrophobicContact CD1-CD2 3.97Å; I273-L344 HydrophobicContact CG1-CD2 3.89Å | ||
| 274 | T | 81.1 | Confident | 89.1 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -70.9 | -65.5 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 109.6 | R325 S343 | T274-R325 WeakPolarHBondContact O-CD 3.13Å; T274-R325 WeakPolarHBondContact O-CG 3.27Å; T274-S343 PolarHBondContact OG1-OG 2.7Å |
| 275 | Q | 88.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -144.6 | 139.9 | 166.9 | -61.2 | -165.8 | -75.1 | 0 | 0 | 110.8 | F319 S324 R325 Q341 S343 L344 | Q275-F319 HydrophobicContact CB-CE2 4.36Å; Q275-F319 PolarHBondContact NE2-O 3.11Å; Q275-S324 PolarHBondContact NE2-O 2.72Å; Q275-R325 CarbonylContact C-O 3.5Å; Q275-R325 WeakPolarHBondContact CA-O 3.05Å; Q275-Q341 HydrophobicContact CG-CB 4.49Å; Q275-S343 PolarHBondContact O-N 3.35Å; Q275-L344 PolarHBondContact O-N 2.98Å |
| 276 | A | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I273 R325 V326 L327 L344 | I273-A276 HydrophobicContact CG2-CB 3.57Å; A276-R325 PolarHBondContact N-O 3Å; A276-V326 WeakPolarHBondContact O-CA 3.49Å; A276-L327 PolarHBondContact O-N 3.31Å; A276-L344 WeakPolarHBondContact CA-O 3.49Å; A276-L344 HydrophobicContact CB-CB 4.11Å; A276-L344 HydrophobicContact CB-CD2 4.28Å; A276-L344 HydrophobicContact CB-CG 4.31Å |
| 277 | V | 92.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.7 | 168.7 | -176.6 | 0 | 0 | 0 | 0 | 109 | F279 F319 L327 T329 V342 L344 V345 I346 | V277-F279 HydrophobicContact CB-CE2 4.18Å; V277-F279 HydrophobicContact CG1-CD2 4Å; V277-F279 HydrophobicContact CG1-CE1 4.1Å; V277-F279 HydrophobicContact CG1-CE2 3.49Å; V277-F279 VanDerWaalsContact CG1-CE2 3.49Å; V277-F279 HydrophobicContact CG1-CZ 3.54Å; V277-F319 HydrophobicContact CG2-CE1 3.89Å; V277-F319 HydrophobicContact CG2-CZ 3.64Å; V277-L327 CarbonylContact C-O 3.47Å; V277-L327 WeakPolarHBondContact CA-O 3.33Å; V277-T329 HydrophobicContact CG1-CG2 3.78Å; V277-V342 HydrophobicContact CG2-CG1 3.92Å; V277-V342 HydrophobicContact CG2-CG2 3.78Å; V277-L344 PolarHBondContact N-O 2.93Å; V277-L344 VanDerWaalsContact N-O 3.07Å; V277-V345 WeakPolarHBondContact O-CA 3.38Å; V277-I346 PolarHBondContact O-N 3.33Å |
| 278 | I | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 118.6 | 178.1 | -52.3 | 177.9 | 0 | 0 | 0 | 108.4 | L264 Y268 L280 L289 V326 L327 I328 T329 I346 Y348 | L264-I278 HydrophobicContact CD1-CD1 4.02Å; L264-I278 HydrophobicContact CD2-CD1 3.98Å; Y268-I278 HydrophobicContact CE2-CD1 4.04Å; I278-L280 HydrophobicContact CG2-CD1 4.1Å; I278-L289 HydrophobicContact CG2-CD2 4.01Å; I278-V326 HydrophobicContact CD1-CG1 3.83Å; I278-V326 HydrophobicContact CG1-CG1 4.3Å; I278-L327 PolarHBondContact N-O 3.37Å; I278-I328 HydrophobicContact CB-CG1 4.3Å; I278-I328 HydrophobicContact CD1-CG1 4.14Å; I278-I328 WeakPolarHBondContact O-CA 3.35Å; I278-T329 PolarHBondContact O-N 2.98Å; I278-I346 CarbonylContact C-O 3.59Å; I278-I346 VanDerWaalsContact CA-O 3.31Å; I278-I346 WeakPolarHBondContact CA-O 3.34Å; I278-I346 HydrophobicContact CG1-CB 4.23Å; I278-I346 HydrophobicContact CG1-CD1 4.43Å; I278-I346 HydrophobicContact CG2-CB 4.42Å; I278-I346 HydrophobicContact CG2-CG2 4.48Å; I278-Y348 HydrophobicContact CG2-CD2 4.47Å |
| 279 | F | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132 | -179.6 | -72.7 | -76.1 | 0 | 0 | 0 | 112.5 | V277 T329 A334 V345 I346 Y348 D349 R360 | V277-F279 HydrophobicContact CB-CE2 4.18Å; V277-F279 HydrophobicContact CG1-CD2 4Å; V277-F279 HydrophobicContact CG1-CE1 4.1Å; V277-F279 HydrophobicContact CG1-CE2 3.49Å; V277-F279 VanDerWaalsContact CG1-CE2 3.49Å; V277-F279 HydrophobicContact CG1-CZ 3.54Å; F279-T329 WeakPolarHBondContact CA-O 3.22Å; F279-T329 HydrophobicContact CD1-CG2 3.7Å; F279-T329 HydrophobicContact CE1-CG2 3.52Å; F279-T329 HydrophobicContact CZ-CG2 4.28Å; F279-A334 HydrophobicContact CD1-CB 4.47Å; F279-A334 HydrophobicContact CE1-CB 3.78Å; F279-A334 HydrophobicContact CZ-CB 4.12Å; F279-V345 HydrophobicContact CD2-CG1 3.78Å; F279-V345 HydrophobicContact CE2-CG1 3.84Å; F279-I346 PolarHBondContact N-O 3.03Å; F279-Y348 WeakPolarHBondContact O-CB 3.34Å; F279-Y348 PolarHBondContact O-N 2.98Å; F279-Y348 VanDerWaalsContact O-N 3.13Å; F279-D349 PolarHBondContact O-N 3.33Å; F279-R360 HydrophobicContact CB-CG 4.39Å; F279-R360 HydrophobicContact CD1-CG 4.05Å; F279-R360 HydrophobicContact CD2-CB 3.72Å; F279-R360 HydrophobicContact CD2-CG 3.78Å; F279-R360 HydrophobicContact CE1-CG 4.25Å; F279-R360 HydrophobicContact CE2-CB 3.74Å; F279-R360 HydrophobicContact CE2-CG 3.99Å; F279-R360 HydrophobicContact CG-CB 4.28Å; F279-R360 HydrophobicContact CG-CG 3.81Å; F279-R360 HydrophobicContact CZ-CB 4.32Å; F279-R360 HydrophobicContact CZ-CG 4.23Å |
| 280 | L | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.4 | 172.3 | -60.8 | 96.5 | 0 | 0 | 0 | 110.7 | I278 K285 V286 L289 I328 T329 T330 Y348 | I278-L280 HydrophobicContact CG2-CD1 4.1Å; L280-K285 HydrophobicContact CD2-CB 3.91Å; L280-K285 HydrophobicContact CD2-CD 3.8Å; L280-K285 HydrophobicContact CD2-CG 3.52Å; L280-V286 HydrophobicContact CB-CG2 4.03Å; L280-V286 HydrophobicContact CD1-CG2 3.99Å; L280-L289 HydrophobicContact CD1-CD2 3.83Å; L280-L289 HydrophobicContact CD2-CB 4.17Å; L280-L289 HydrophobicContact CD2-CD2 3.97Å; L280-L289 HydrophobicContact CG-CD2 4.43Å; L280-I328 HydrophobicContact CD1-CG2 3.32Å; L280-T329 PolarHBondContact N-O 3.11Å; L280-T330 WeakPolarHBondContact O-CA 3.27Å; L280-Y348 HydrophobicContact CD2-CD1 3.83Å; L280-Y348 HydrophobicContact CD2-CE1 4.35Å; L280-Y348 HydrophobicContact CD2-CG 4.21Å; L280-Y348 HydrophobicContact CG-CD1 4.31Å; L280-Y348 HydrophobicContact CG-CG 4.37Å |
| 281 | N | 94.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -80.6 | -22.4 | -176.1 | -70.7 | -16 | 0 | 0 | 0 | 113.2 | D349 L350 T352 R360 | N281-D349 HydrophobicContact CB-CB 4.28Å; N281-D349 PolarHBondContact N-OD2 2.63Å; N281-L350 PolarHBondContact ND2-O 2.67Å; N281-L350 PolarHBondContact OD1-O 3Å; N281-T352 HydrophobicContact CB-CG2 4.26Å; N281-R360 PolarHBondContact OD1-NH2 3.26Å |
| 282 | T | 94.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | trans | -132.2 | 147.9 | -174.1 | 75.8 | 0 | 0 | 0 | 0 | 112.9 | K285 V286 | T282-K285 PolarHBondContact O-N 2.66Å; T282-K285 VanDerWaalsContact O-N 3.17Å; T282-K285 VanDerWaalsContact OG1-CB 3.27Å; T282-K285 WeakPolarHBondContact OG1-CB 3.41Å; T282-K285 PolarHBondContact OG1-N 3.22Å; T282-V286 PolarHBondContact O-N 2.75Å | ||
| 283 | R | 93.8 | Very high | 93.5 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.4 | -45 | 179.5 | -51.3 | 179.6 | -174.6 | 165 | -1.9 | 111.5 | K285 V286 D287 H304 D306 T330 | R283-K285 PolarHBondContact O-N 3.46Å; R283-K285 VanDerWaalsContact O-N 3.16Å; R283-V286 WeakPolarHBondContact O-CA 3.45Å; R283-V286 VanDerWaalsContact O-CB 3.32Å; R283-V286 WeakPolarHBondContact O-CB 3.5Å; R283-V286 PolarHBondContact O-N 3.03Å; R283-D287 PolarHBondContact O-N 3.09Å; R283-H304 HydrophobicContact CB-CB 4.22Å; R283-H304 HydrophobicContact CG-CB 4.05Å; R283-D306 WeakPolarHBondContact CD-OD2 3.04Å; R283-D306 IonicContact CZ-OD1 3.66Å; R283-D306 IonicContact CZ-OD2 3.29Å; R283-D306 IonicContact NE-OD2 3.11Å; R283-D306 IonicContact NH1-OD1 2.79Å; R283-D306 PolarHBondContact NH1-OD1 3.01Å; R283-D306 IonicContact NH1-OD2 2.66Å; R283-D306 PolarHBondContact NH1-OD2 2.69Å; R283-T330 HydrophobicContact CG-CG2 4.16Å |
| 284 | R | 95.7 | Very high | 94.5 | Very high | 212 Ų | 212 | 50.2 Ų | 50.2 | 80% | 0.8 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -54.8 | -36.9 | 175 | -173.1 | 179 | 71.7 | 170.8 | 2.5 | 112.5 | W288 | R284-W288 WeakPolarHBondContact O-CB 3.41Å; R284-W288 PolarHBondContact O-N 2.79Å |
| 285 | K | 97.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -79 | -31.7 | 179.9 | -156 | 178.4 | 177.3 | 179.6 | 0 | 112.2 | E257 L280 T282 R283 W288 L289 D349 | E257-K285 WeakPolarHBondContact OE1-CE 3.42Å; E257-K285 IonicContact OE1-NZ 2.75Å; E257-K285 PolarHBondContact OE1-NZ 2.78Å; E257-K285 IonicContact OE2-NZ 3.9Å; L280-K285 HydrophobicContact CD2-CB 3.91Å; L280-K285 HydrophobicContact CD2-CD 3.8Å; L280-K285 HydrophobicContact CD2-CG 3.52Å; T282-K285 PolarHBondContact O-N 2.66Å; T282-K285 VanDerWaalsContact O-N 3.17Å; T282-K285 VanDerWaalsContact OG1-CB 3.27Å; T282-K285 WeakPolarHBondContact OG1-CB 3.41Å; T282-K285 PolarHBondContact OG1-N 3.22Å; R283-K285 PolarHBondContact O-N 3.46Å; R283-K285 VanDerWaalsContact O-N 3.16Å; K285-W288 HydrophobicContact CG-CE3 4.16Å; K285-L289 VanDerWaalsContact O-CB 3.3Å; K285-L289 WeakPolarHBondContact O-CB 3.28Å; K285-L289 PolarHBondContact O-N 2.82Å; K285-D349 WeakPolarHBondContact CD-OD2 3.23Å; K285-D349 IonicContact NZ-OD1 3.13Å; K285-D349 PolarHBondContact NZ-OD1 2.7Å; K285-D349 IonicContact NZ-OD2 3.57Å; K285-D349 PolarHBondContact NZ-OD2 3.2Å |
| 286 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -53.3 | 167.3 | 168.3 | 0 | 0 | 0 | 0 | 109.6 | L280 T282 R283 W288 L289 T290 A302 I328 T330 | L280-V286 HydrophobicContact CB-CG2 4.03Å; L280-V286 HydrophobicContact CD1-CG2 3.99Å; T282-V286 PolarHBondContact O-N 2.75Å; R283-V286 WeakPolarHBondContact O-CA 3.45Å; R283-V286 VanDerWaalsContact O-CB 3.32Å; R283-V286 WeakPolarHBondContact O-CB 3.5Å; R283-V286 PolarHBondContact O-N 3.03Å; V286-W288 PolarHBondContact O-N 3.08Å; V286-L289 PolarHBondContact O-N 2.96Å; V286-T290 WeakPolarHBondContact O-CB 3.46Å; V286-T290 PolarHBondContact O-N 3.41Å; V286-T290 PolarHBondContact O-OG1 3.31Å; V286-A302 HydrophobicContact CG1-CB 3.92Å; V286-I328 HydrophobicContact CB-CG2 4.29Å; V286-I328 HydrophobicContact CG1-CB 4.49Å; V286-I328 HydrophobicContact CG1-CG2 3.9Å; V286-I328 HydrophobicContact CG2-CG2 4.26Å; V286-T330 HydrophobicContact CG2-CG2 3.68Å |
| 287 | D | 96.8 | Very high | 95.3 | Very high | 74 Ų | 74 | 62 Ų | 62 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 180 | -60.2 | -32.3 | 0 | 0 | 0 | 111.9 | R283 L289 T290 E291 H304 | R283-D287 PolarHBondContact O-N 3.09Å; D287-L289 PolarHBondContact O-N 3.44Å; D287-T290 PolarHBondContact O-N 3.49Å; D287-E291 PolarHBondContact O-N 3.16Å; D287-H304 IonicContact OD1-CD2 3.15Å; D287-H304 IonicContact OD1-CE1 3.89Å; D287-H304 IonicContact OD1-NE2 2.69Å; D287-H304 PolarHBondContact OD1-NE2 2.91Å; D287-H304 VanDerWaalsContact OD1-NE2 3.13Å |
| 288 | W | 97.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 36% | 0.36 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.7 | 171.2 | 85.8 | 0 | 0 | 0 | 112.2 | L261 R284 K285 V286 T290 E291 K292 Y348 | L261-W288 HydrophobicContact CB-CH2 4.3Å; L261-W288 HydrophobicContact CD2-CH2 4.43Å; R284-W288 WeakPolarHBondContact O-CB 3.41Å; R284-W288 PolarHBondContact O-N 2.79Å; K285-W288 HydrophobicContact CG-CE3 4.16Å; V286-W288 PolarHBondContact O-N 3.08Å; W288-T290 VanDerWaalsContact C-N 3.34Å; W288-T290 PolarHBondContact O-N 2.88Å; W288-E291 PolarHBondContact O-N 3.26Å; W288-K292 HydrophobicContact CD2-CG 4.22Å; W288-K292 HydrophobicContact CZ2-CG 4.04Å; W288-K292 VanDerWaalsContact O-CG 3.3Å; W288-K292 WeakPolarHBondContact O-CG 3.29Å; W288-K292 PolarHBondContact O-N 3.09Å; W288-Y348 HydrophobicContact CZ3-CE1 4.47Å; W288-Y348 WeakPolarHBondContact CZ3-OH 3.3Å |
| 289 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -41 | -178.7 | -177 | 64.2 | 0 | 0 | 0 | 110.6 | L261 L264 I278 L280 K285 V286 D287 K292 M293 I328 Y348 | L261-L289 HydrophobicContact CD1-CD1 3.77Å; L264-L289 HydrophobicContact CD2-CD1 3.94Å; L264-L289 HydrophobicContact CD2-CD2 4.02Å; L264-L289 HydrophobicContact CD2-CG 4.4Å; I278-L289 HydrophobicContact CG2-CD2 4.01Å; L280-L289 HydrophobicContact CD1-CD2 3.83Å; L280-L289 HydrophobicContact CD2-CB 4.17Å; L280-L289 HydrophobicContact CD2-CD2 3.97Å; L280-L289 HydrophobicContact CG-CD2 4.43Å; K285-L289 VanDerWaalsContact O-CB 3.3Å; K285-L289 WeakPolarHBondContact O-CB 3.28Å; K285-L289 PolarHBondContact O-N 2.82Å; V286-L289 PolarHBondContact O-N 2.96Å; D287-L289 PolarHBondContact O-N 3.44Å; L289-K292 PolarHBondContact O-N 3.1Å; L289-M293 HydrophobicContact CD1-CG 4.16Å; L289-M293 HydrophobicContact CG-CG 4.18Å; L289-M293 WeakPolarHBondContact O-CB 3.42Å; L289-M293 WeakPolarHBondContact O-CG 3.13Å; L289-M293 PolarHBondContact O-N 3.01Å; L289-I328 HydrophobicContact CD2-CD1 4.11Å; L289-I328 HydrophobicContact CD2-CG2 4.08Å; L289-I328 HydrophobicContact CG-CD1 4.04Å; L289-Y348 HydrophobicContact CD1-CD2 4.42Å; L289-Y348 HydrophobicContact CD1-CE2 3.77Å; L289-Y348 HydrophobicContact CD2-CD2 3.87Å; L289-Y348 HydrophobicContact CD2-CE2 4.05Å; L289-Y348 HydrophobicContact CD2-CG 4.28Å |
| 290 | T | 96.7 | Very high | 94.9 | Very high | 15 Ų | 15 | 70 Ų | 70 | 9% | 0.092 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 175.3 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | V286 D287 W288 K292 M293 H294 V300 A302 | V286-T290 WeakPolarHBondContact O-CB 3.46Å; V286-T290 PolarHBondContact O-N 3.41Å; V286-T290 PolarHBondContact O-OG1 3.31Å; D287-T290 PolarHBondContact O-N 3.49Å; W288-T290 VanDerWaalsContact C-N 3.34Å; W288-T290 PolarHBondContact O-N 2.88Å; T290-K292 VanDerWaalsContact C-N 3.34Å; T290-K292 PolarHBondContact O-N 3.31Å; T290-M293 PolarHBondContact O-N 3.42Å; T290-H294 PolarHBondContact O-N 2.79Å; T290-V300 HydrophobicContact CG2-CG2 4.14Å; T290-A302 HydrophobicContact CG2-CB 4.1Å; T290-A302 WeakPolarHBondContact OG1-CB 3.41Å |
| 291 | E | 97 | Very high | 94.8 | Very high | 126 Ų | 126 | 70.9 Ų | 70.9 | 59% | 0.589 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 176.2 | -171.6 | -168.3 | 156.9 | 0 | 0 | 111.6 | D287 W288 H294 A295 | D287-E291 PolarHBondContact O-N 3.16Å; W288-E291 PolarHBondContact O-N 3.26Å; E291-H294 PolarHBondContact O-N 2.84Å; E291-A295 WeakPolarHBondContact O-CB 3.47Å; E291-A295 PolarHBondContact O-N 2.82Å |
| 292 | K | 97 | Very high | 94.9 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 34% | 0.335 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 179.3 | -67.6 | -59 | 175.3 | -162.7 | 0 | 113.4 | L261 W288 L289 T290 A295 R296 | L261-K292 HydrophobicContact CD1-CB 3.96Å; L261-K292 HydrophobicContact CD2-CB 3.85Å; L261-K292 HydrophobicContact CD2-CD 4.39Å; L261-K292 HydrophobicContact CD2-CG 4.05Å; W288-K292 HydrophobicContact CD2-CG 4.22Å; W288-K292 HydrophobicContact CZ2-CG 4.04Å; W288-K292 VanDerWaalsContact O-CG 3.3Å; W288-K292 WeakPolarHBondContact O-CG 3.29Å; W288-K292 PolarHBondContact O-N 3.09Å; L289-K292 PolarHBondContact O-N 3.1Å; T290-K292 VanDerWaalsContact C-N 3.34Å; T290-K292 PolarHBondContact O-N 3.31Å; K292-A295 PolarHBondContact O-N 3.22Å; K292-R296 PolarHBondContact O-N 3.03Å |
| 293 | M | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 175.7 | -71.9 | -68.1 | -76 | 0 | 0 | 110.8 | L261 L264 Y268 L289 T290 A295 R296 D297 F298 V300 I328 | L261-M293 HydrophobicContact CD1-SD 4.49Å; L264-M293 HydrophobicContact CD2-CE 4.13Å; L264-M293 HydrophobicContact CD2-CG 4.46Å; L264-M293 HydrophobicContact CD2-SD 3.74Å; L264-M293 HydrophobicContact CG-CE 4.44Å; L264-M293 HydrophobicContact CG-SD 4.32Å; Y268-M293 HydrophobicContact CD2-CE 3.87Å; Y268-M293 HydrophobicContact CE2-CE 3.84Å; Y268-M293 HydrophobicContact CG-CE 4.46Å; L289-M293 HydrophobicContact CD1-CG 4.16Å; L289-M293 HydrophobicContact CG-CG 4.18Å; L289-M293 WeakPolarHBondContact O-CB 3.42Å; L289-M293 WeakPolarHBondContact O-CG 3.13Å; L289-M293 PolarHBondContact O-N 3.01Å; T290-M293 PolarHBondContact O-N 3.42Å; M293-A295 VanDerWaalsContact C-N 3.33Å; M293-A295 PolarHBondContact O-N 3.13Å; M293-R296 CarbonylContact O-C 3.6Å; M293-R296 PolarHBondContact O-N 2.87Å; M293-R296 VanDerWaalsContact O-N 3.09Å; M293-D297 PolarHBondContact O-N 2.8Å; M293-F298 HydrophobicContact CB-CB 4.17Å; M293-F298 HydrophobicContact CE-CB 3.72Å; M293-F298 HydrophobicContact CE-CD1 4.28Å; M293-F298 HydrophobicContact CE-CD2 3.88Å; M293-F298 HydrophobicContact CE-CG 3.69Å; M293-F298 WeakPolarHBondContact O-CB 3.38Å; M293-F298 PolarHBondContact O-N 3.49Å; M293-F298 HydrophobicContact SD-CD2 4.02Å; M293-F298 HydrophobicContact SD-CG 4.4Å; M293-V300 HydrophobicContact CB-CG1 4.1Å; M293-V300 HydrophobicContact CB-CG2 3.83Å; M293-V300 HydrophobicContact CE-CG1 3.95Å; M293-V300 HydrophobicContact CG-CG1 4.49Å; M293-I328 HydrophobicContact CG-CD1 4.29Å |
| 294 | H | 94.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 44% | 0.44 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.6 | -71.5 | 172.9 | 0 | 0 | 0 | 112.2 | T290 E291 R296 D297 F298 V300 | T290-H294 PolarHBondContact O-N 2.79Å; E291-H294 PolarHBondContact O-N 2.84Å; H294-R296 PolarHBondContact O-N 2.86Å; H294-D297 PolarHBondContact O-N 3.07Å; H294-F298 PolarHBondContact CD2-O 3.15Å; H294-V300 PolarHBondContact NE2-O 2.98Å |
| 295 | A | 95.4 | Very high | 94.2 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 66% | 0.661 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | E291 K292 M293 | E291-A295 WeakPolarHBondContact O-CB 3.47Å; E291-A295 PolarHBondContact O-N 2.82Å; K292-A295 PolarHBondContact O-N 3.22Å; M293-A295 VanDerWaalsContact C-N 3.33Å; M293-A295 PolarHBondContact O-N 3.13Å |
| 296 | R | 92.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 21.3 | 173.6 | -65.7 | -177.4 | -180 | -162.4 | -1.6 | 112 | D262 C265 K292 M293 H294 F298 | D262-R296 IonicContact OD1-CZ 3.2Å; D262-R296 IonicContact OD1-NH1 2.77Å; D262-R296 PolarHBondContact OD1-NH1 3.09Å; D262-R296 IonicContact OD1-NH2 2.69Å; D262-R296 PolarHBondContact OD1-NH2 3.15Å; C265-R296 WeakPolarHBondContact SG-CD 3.05Å; C265-R296 PolarHBondContact SG-NH1 3.25Å; K292-R296 PolarHBondContact O-N 3.03Å; M293-R296 CarbonylContact O-C 3.6Å; M293-R296 PolarHBondContact O-N 2.87Å; M293-R296 VanDerWaalsContact O-N 3.09Å; H294-R296 PolarHBondContact O-N 2.86Å; R296-F298 HydrophobicContact CB-CD2 3.79Å; R296-F298 HydrophobicContact CB-CE2 3.93Å; R296-F298 WeakPolarHBondContact O-CD2 3.45Å; R296-F298 PolarHBondContact O-N 3.07Å; R296-F298 VanDerWaalsContact O-N 3.17Å |
| 297 | D | 90.5 | Very high | 93.4 | Very high | 154 Ų | 154 | 57.4 Ų | 57.4 | 82% | 0.824 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 16.1 | 178 | -58.9 | -49.2 | 0 | 0 | 0 | 115.5 | M293 H294 | M293-D297 PolarHBondContact O-N 2.8Å; H294-D297 PolarHBondContact O-N 3.07Å |
| 298 | F | 90.3 | Very high | 93.1 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | trans | -80.1 | 129.8 | 171.9 | -67.7 | -74.7 | 0 | 0 | 0 | 111.1 | C265 Y268 M293 H294 R296 V300 | C265-F298 HydrophobicContact CB-CE2 4Å; C265-F298 HydrophobicContact CB-CZ 4.24Å; C265-F298 VanDerWaalsContact SG-CE2 3.58Å; Y268-F298 VanDerWaalsContact CB-CE1 3.46Å; Y268-F298 HydrophobicContact CD1-CD1 4.32Å; Y268-F298 HydrophobicContact CD1-CE1 4.42Å; Y268-F298 HydrophobicContact CG-CD1 4.25Å; Y268-F298 HydrophobicContact CG-CE1 4.06Å; M293-F298 HydrophobicContact CB-CB 4.17Å; M293-F298 HydrophobicContact CE-CB 3.72Å; M293-F298 HydrophobicContact CE-CD1 4.28Å; M293-F298 HydrophobicContact CE-CD2 3.88Å; M293-F298 HydrophobicContact CE-CG 3.69Å; M293-F298 WeakPolarHBondContact O-CB 3.38Å; M293-F298 PolarHBondContact O-N 3.49Å; M293-F298 HydrophobicContact SD-CD2 4.02Å; M293-F298 HydrophobicContact SD-CG 4.4Å; H294-F298 PolarHBondContact CD2-O 3.15Å; R296-F298 HydrophobicContact CB-CD2 3.79Å; R296-F298 HydrophobicContact CB-CE2 3.93Å; R296-F298 WeakPolarHBondContact O-CD2 3.45Å; R296-F298 PolarHBondContact O-N 3.07Å; R296-F298 VanDerWaalsContact O-N 3.17Å; F298-V300 HydrophobicContact CB-CG1 4.26Å; F298-V300 PolarHBondContact O-N 3.19Å | ||
| 299 | T | 90.4 | Very high | 92.5 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 77% | 0.767 | 30% | 0.3 | S | S | * | . | trans | -84.5 | 107 | 173.1 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 300 | V | 93.2 | Very high | 92.1 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.048 | 34% | 0.337 | C | S | . | . | trans | -131.1 | 149.3 | 179.2 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | T290 M293 H294 F298 V326 I328 | T290-V300 HydrophobicContact CG2-CG2 4.14Å; M293-V300 HydrophobicContact CB-CG1 4.1Å; M293-V300 HydrophobicContact CB-CG2 3.83Å; M293-V300 HydrophobicContact CE-CG1 3.95Å; M293-V300 HydrophobicContact CG-CG1 4.49Å; H294-V300 PolarHBondContact NE2-O 2.98Å; F298-V300 HydrophobicContact CB-CG1 4.26Å; F298-V300 PolarHBondContact O-N 3.19Å; V300-V326 HydrophobicContact CB-CB 4.22Å; V300-V326 HydrophobicContact CB-CG1 4.07Å; V300-V326 HydrophobicContact CG1-CB 3.86Å; V300-V326 HydrophobicContact CG1-CG1 3.64Å; V300-V326 HydrophobicContact CG1-CG2 4.46Å; V300-I328 HydrophobicContact CB-CD1 3.94Å; V300-I328 HydrophobicContact CB-CG1 4.33Å; V300-I328 HydrophobicContact CG1-CD1 4.32Å; V300-I328 HydrophobicContact CG2-CD1 3.65Å; V300-I328 HydrophobicContact CG2-CG1 4.5Å | ||
| 301 | S | 94.2 | Very high | 91.9 | Very high | 19 Ų | 19 | 68 Ų | 68 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 150.4 | 169.7 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | S324 V326 L327 I328 | S301-S324 WeakPolarHBondContact CB-OG 3.42Å; S301-S324 VanDerWaalsContact OG-CB 3.23Å; S301-S324 WeakPolarHBondContact OG-CB 3.39Å; S301-S324 PolarHBondContact OG-OG 2.86Å; S301-V326 PolarHBondContact N-O 2.8Å; S301-L327 WeakPolarHBondContact O-CA 3.5Å; S301-I328 PolarHBondContact O-N 2.85Å |
| 302 | A | 95.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 12% | 0.124 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V286 T290 I315 I328 | V286-A302 HydrophobicContact CG1-CB 3.92Å; T290-A302 HydrophobicContact CG2-CB 4.1Å; T290-A302 WeakPolarHBondContact OG1-CB 3.41Å; A302-I315 WeakPolarHBondContact O-CD1 3.21Å; A302-I328 CarbonylContact C-O 3.48Å; A302-I328 VanDerWaalsContact CA-O 3.28Å; A302-I328 WeakPolarHBondContact CA-O 3.36Å |
| 303 | L | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 123.1 | 170.2 | -164.1 | 158.1 | 0 | 0 | 0 | 111.9 | R312 I315 M316 L327 I328 T329 L332 L333 | L303-R312 HydrophobicContact CD1-CB 4.14Å; L303-R312 HydrophobicContact CD1-CG 4.31Å; L303-R312 HydrophobicContact CD2-CG 4.3Å; L303-R312 HydrophobicContact CG-CG 4.15Å; L303-I315 HydrophobicContact CB-CG2 4.32Å; L303-I315 HydrophobicContact CD1-CB 4.45Å; L303-I315 HydrophobicContact CD1-CG2 4.21Å; L303-M316 HydrophobicContact CD1-CG 3.62Å; L303-M316 HydrophobicContact CD1-SD 3.76Å; L303-L327 HydrophobicContact CB-CD1 3.96Å; L303-I328 PolarHBondContact N-O 2.85Å; L303-T329 WeakPolarHBondContact O-CA 3.36Å; L303-T329 WeakPolarHBondContact O-CB 3.31Å; L303-T329 PolarHBondContact O-OG1 2.83Å; L303-L332 HydrophobicContact CD2-CD2 4.01Å; L303-L333 HydrophobicContact CB-CD1 3.85Å; L303-L333 HydrophobicContact CD1-CD1 3.92Å; L303-L333 HydrophobicContact CD1-CD2 4.44Å; L303-L333 HydrophobicContact CD2-CD1 3.7Å; L303-L333 HydrophobicContact CD2-CD2 3.54Å; L303-L333 HydrophobicContact CD2-CG 3.79Å; L303-L333 HydrophobicContact CG-CD1 3.98Å |
| 304 | H | 91.6 | Very high | 91 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | trans | -145.5 | 178.6 | 174.6 | 61.8 | 90.2 | 0 | 0 | 0 | 112.5 | R283 D287 D306 M307 T330 L332 | R283-H304 HydrophobicContact CB-CB 4.22Å; R283-H304 HydrophobicContact CG-CB 4.05Å; D287-H304 IonicContact OD1-CD2 3.15Å; D287-H304 IonicContact OD1-CE1 3.89Å; D287-H304 IonicContact OD1-NE2 2.69Å; D287-H304 PolarHBondContact OD1-NE2 2.91Å; D287-H304 VanDerWaalsContact OD1-NE2 3.13Å; H304-D306 VanDerWaalsContact C-N 3.31Å; H304-D306 PolarHBondContact ND1-N 3.04Å; H304-D306 PolarHBondContact O-N 2.84Å; H304-M307 WeakPolarHBondContact NE2-CG 3.3Å; H304-M307 PolarHBondContact O-N 2.72Å; H304-T330 HydrophobicContact CB-CG2 4.24Å; H304-L332 VanDerWaalsContact C-CD2 3.47Å | ||
| 305 | G | 85.2 | Confident | 90.9 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L332 | G305-L332 VanDerWaalsContact CA-CD2 3.5Å; G305-L332 VanDerWaalsContact N-CD2 3.32Å |
| 306 | D | 87.8 | Confident | 90.5 | Very high | 108 Ų | 108 | 56.7 Ų | 56.7 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.4 | -175.8 | -68.9 | -38.4 | 0 | 0 | 0 | 113.5 | R283 H304 | R283-D306 WeakPolarHBondContact CD-OD2 3.04Å; R283-D306 IonicContact CZ-OD1 3.66Å; R283-D306 IonicContact CZ-OD2 3.29Å; R283-D306 IonicContact NE-OD2 3.11Å; R283-D306 IonicContact NH1-OD1 2.79Å; R283-D306 PolarHBondContact NH1-OD1 3.01Å; R283-D306 IonicContact NH1-OD2 2.66Å; R283-D306 PolarHBondContact NH1-OD2 2.69Å; H304-D306 VanDerWaalsContact C-N 3.31Å; H304-D306 PolarHBondContact ND1-N 3.04Å; H304-D306 PolarHBondContact O-N 2.84Å |
| 307 | M | 89.8 | Confident | 90.3 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 17% | 0.172 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -70.5 | 149.6 | 177.5 | -59 | -178.1 | 76.4 | 0 | 0 | 111.4 | H304 E311 R312 I315 | H304-M307 WeakPolarHBondContact NE2-CG 3.3Å; H304-M307 PolarHBondContact O-N 2.72Å; M307-E311 HydrophobicContact CE-CB 4.28Å; M307-R312 HydrophobicContact CB-CG 3.8Å; M307-R312 WeakPolarHBondContact O-CD 3.24Å; M307-I315 HydrophobicContact CE-CD1 3.36Å; M307-I315 HydrophobicContact SD-CD1 4.3Å |
| 308 | D | 90.1 | Very high | 90.4 | Very high | 115 Ų | 115 | 56.1 Ų | 56.1 | 62% | 0.615 | 29% | 0.285 | S | S | * | . | trans | -64.6 | 145.8 | 175.1 | -87 | -25.1 | 0 | 0 | 0 | 111.1 | K310 E311 R312 | D308-K310 PolarHBondContact O-N 3.17Å; D308-E311 HydrophobicContact CB-CG 4.21Å; D308-E311 WeakPolarHBondContact O-CB 3.33Å; D308-E311 PolarHBondContact O-N 3.4Å; D308-E311 VanDerWaalsContact O-N 3.09Å; D308-R312 WeakPolarHBondContact O-CG 3.45Å; D308-R312 PolarHBondContact O-N 2.84Å | ||
| 309 | Q | 85.7 | Confident | 90.3 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.4 | -35.8 | -175.2 | -170.2 | 58.5 | 43.1 | 0 | 0 | 112.5 | E112 E311 R312 D313 | E112-Q309 PolarHBondContact OE1-NE2 3.27Å; Q309-E311 VanDerWaalsContact C-N 3.31Å; Q309-E311 PolarHBondContact O-N 2.94Å; Q309-R312 PolarHBondContact O-N 3.29Å; Q309-D313 PolarHBondContact NE2-OD1 3.48Å; Q309-D313 WeakPolarHBondContact O-CB 3.31Å; Q309-D313 PolarHBondContact O-N 3.21Å |
| 310 | K | 90.2 | Very high | 90 | Very high | 178 Ų | 178 | 52.2 Ų | 52.2 | 77% | 0.774 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.1 | -40.1 | 178.6 | -68.9 | -177.6 | -179.7 | 177.7 | 0 | 111.7 | D308 D313 V314 | D308-K310 PolarHBondContact O-N 3.17Å; K310-D313 PolarHBondContact O-N 3.09Å; K310-V314 WeakPolarHBondContact O-CG2 3.17Å; K310-V314 PolarHBondContact O-N 3.47Å; K310-V314 VanDerWaalsContact O-N 3.12Å |
| 311 | E | 91.9 | Very high | 89.7 | Confident | 99 Ų | 99 | 55.3 Ų | 55.3 | 46% | 0.463 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 177.9 | -61.1 | 177.9 | 161 | 0 | 0 | 110.3 | M307 D308 Q309 D313 V314 I315 | M307-E311 HydrophobicContact CE-CB 4.28Å; D308-E311 HydrophobicContact CB-CG 4.21Å; D308-E311 WeakPolarHBondContact O-CB 3.33Å; D308-E311 PolarHBondContact O-N 3.4Å; D308-E311 VanDerWaalsContact O-N 3.09Å; Q309-E311 VanDerWaalsContact C-N 3.31Å; Q309-E311 PolarHBondContact O-N 2.94Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.43Å; E311-V314 PolarHBondContact O-N 3.24Å; E311-V314 VanDerWaalsContact O-N 3.11Å; E311-I315 WeakPolarHBondContact O-CG1 3.49Å; E311-I315 PolarHBondContact O-N 2.85Å |
| 312 | R | 89.4 | Confident | 89.3 | Confident | 9 Ų | 9 | 55.5 Ų | 55.5 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 174.8 | -67.2 | 169.6 | 61.7 | 148.8 | 0.3 | 111.9 | E112 L303 M307 D308 Q309 V314 I315 M316 | E112-R312 IonicContact OE1-CZ 3.5Å; E112-R312 IonicContact OE1-NE 3.32Å; E112-R312 PolarHBondContact OE1-NE 3.44Å; E112-R312 IonicContact OE1-NH2 3.11Å; E112-R312 PolarHBondContact OE1-NH2 2.91Å; E112-R312 IonicContact OE2-CZ 3.73Å; E112-R312 IonicContact OE2-NH2 2.65Å; E112-R312 PolarHBondContact OE2-NH2 2.92Å; L303-R312 HydrophobicContact CD1-CB 4.14Å; L303-R312 HydrophobicContact CD1-CG 4.31Å; L303-R312 HydrophobicContact CD2-CG 4.3Å; L303-R312 HydrophobicContact CG-CG 4.15Å; M307-R312 HydrophobicContact CB-CG 3.8Å; M307-R312 WeakPolarHBondContact O-CD 3.24Å; D308-R312 WeakPolarHBondContact O-CG 3.45Å; D308-R312 PolarHBondContact O-N 2.84Å; Q309-R312 PolarHBondContact O-N 3.29Å; R312-V314 VanDerWaalsContact C-N 3.32Å; R312-V314 PolarHBondContact O-N 3.49Å; R312-I315 PolarHBondContact O-N 2.76Å; R312-M316 VanDerWaalsContact O-CB 3.31Å; R312-M316 WeakPolarHBondContact O-CB 3.45Å; R312-M316 VanDerWaalsContact O-CG 3.3Å; R312-M316 WeakPolarHBondContact O-CG 3.3Å; R312-M316 PolarHBondContact O-N 2.94Å |
| 313 | D | 87.6 | Confident | 89 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 178.3 | -69.6 | -10.3 | 0 | 0 | 0 | 112.1 | Q309 K310 E311 R317 | Q309-D313 PolarHBondContact NE2-OD1 3.48Å; Q309-D313 WeakPolarHBondContact O-CB 3.31Å; Q309-D313 PolarHBondContact O-N 3.21Å; K310-D313 PolarHBondContact O-N 3.09Å; E311-D313 VanDerWaalsContact C-N 3.3Å; E311-D313 PolarHBondContact O-N 3.43Å; D313-R317 WeakPolarHBondContact O-CB 3.49Å; D313-R317 PolarHBondContact O-N 3.4Å; D313-R317 VanDerWaalsContact O-N 3.14Å |
| 314 | V | 92.6 | Very high | 88.8 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.1 | -51 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | K310 E311 R312 M316 R317 E318 | K310-V314 WeakPolarHBondContact O-CG2 3.17Å; K310-V314 PolarHBondContact O-N 3.47Å; K310-V314 VanDerWaalsContact O-N 3.12Å; E311-V314 PolarHBondContact O-N 3.24Å; E311-V314 VanDerWaalsContact O-N 3.11Å; R312-V314 VanDerWaalsContact C-N 3.32Å; R312-V314 PolarHBondContact O-N 3.49Å; V314-M316 VanDerWaalsContact C-N 3.31Å; V314-M316 PolarHBondContact O-N 2.84Å; V314-R317 WeakPolarHBondContact O-CA 3.49Å; V314-R317 VanDerWaalsContact O-CB 3.32Å; V314-R317 WeakPolarHBondContact O-CB 3.48Å; V314-R317 PolarHBondContact O-N 3.22Å; V314-E318 HydrophobicContact CG1-CG 4.38Å; V314-E318 WeakPolarHBondContact CG1-OE1 3.33Å; V314-E318 WeakPolarHBondContact O-CG 3.26Å; V314-E318 PolarHBondContact O-N 3.48Å |
| 315 | I | 92.2 | Very high | 88.7 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 11% | 0.113 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | -178.9 | -67.4 | 170.1 | 0 | 0 | 0 | 110.8 | A302 L303 M307 E311 R312 R317 E318 F319 L327 | A302-I315 WeakPolarHBondContact O-CD1 3.21Å; L303-I315 HydrophobicContact CB-CG2 4.32Å; L303-I315 HydrophobicContact CD1-CB 4.45Å; L303-I315 HydrophobicContact CD1-CG2 4.21Å; M307-I315 HydrophobicContact CE-CD1 3.36Å; M307-I315 HydrophobicContact SD-CD1 4.3Å; E311-I315 WeakPolarHBondContact O-CG1 3.49Å; E311-I315 PolarHBondContact O-N 2.85Å; R312-I315 PolarHBondContact O-N 2.76Å; I315-R317 VanDerWaalsContact C-N 3.28Å; I315-R317 PolarHBondContact O-N 2.78Å; I315-E318 PolarHBondContact O-N 3.16Å; I315-F319 WeakPolarHBondContact O-CB 3.27Å; I315-F319 PolarHBondContact O-N 2.96Å; I315-L327 HydrophobicContact CG2-CD1 3.89Å |
| 316 | M | 87.5 | Confident | 89 | Confident | 5 Ų | 5 | 65.5 Ų | 65.5 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 175.4 | -76.8 | -52.8 | -45.4 | 0 | 0 | 113 | E112 L303 R312 V314 R320 L327 L333 I337 V339 | E112-M316 HydrophobicContact CG-CG 4.26Å; L303-M316 HydrophobicContact CD1-CG 3.62Å; L303-M316 HydrophobicContact CD1-SD 3.76Å; R312-M316 VanDerWaalsContact O-CB 3.31Å; R312-M316 WeakPolarHBondContact O-CB 3.45Å; R312-M316 VanDerWaalsContact O-CG 3.3Å; R312-M316 WeakPolarHBondContact O-CG 3.3Å; R312-M316 PolarHBondContact O-N 2.94Å; V314-M316 VanDerWaalsContact C-N 3.31Å; V314-M316 PolarHBondContact O-N 2.84Å; M316-R320 WeakPolarHBondContact O-CB 3.44Å; M316-R320 VanDerWaalsContact O-CG 3.24Å; M316-R320 WeakPolarHBondContact O-CG 3.33Å; M316-R320 PolarHBondContact O-N 2.69Å; M316-R320 VanDerWaalsContact O-N 3.07Å; M316-L327 HydrophobicContact SD-CD2 4.48Å; M316-L333 HydrophobicContact SD-CD1 4.05Å; M316-I337 HydrophobicContact CE-CD1 4.27Å; M316-I337 HydrophobicContact CE-CG2 3.28Å; M316-I337 HydrophobicContact SD-CD1 4.17Å; M316-I337 HydrophobicContact SD-CG2 4.38Å; M316-V339 HydrophobicContact CE-CG2 4.44Å |
| 317 | R | 88.9 | Confident | 89.3 | Confident | 159 Ų | 159 | 60.6 Ų | 60.6 | 60% | 0.6 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.4 | -47.3 | 175.2 | -171.1 | -172 | -54.8 | 131.1 | 7.8 | 110.7 | D313 V314 I315 F319 R320 S321 | D313-R317 WeakPolarHBondContact O-CB 3.49Å; D313-R317 PolarHBondContact O-N 3.4Å; D313-R317 VanDerWaalsContact O-N 3.14Å; V314-R317 WeakPolarHBondContact O-CA 3.49Å; V314-R317 VanDerWaalsContact O-CB 3.32Å; V314-R317 WeakPolarHBondContact O-CB 3.48Å; V314-R317 PolarHBondContact O-N 3.22Å; I315-R317 VanDerWaalsContact C-N 3.28Å; I315-R317 PolarHBondContact O-N 2.78Å; R317-F319 VanDerWaalsContact C-N 3.34Å; R317-R320 PolarHBondContact O-N 2.76Å; R317-S321 PolarHBondContact O-N 3.15Å; R317-S321 PolarHBondContact O-OG 3.13Å |
| 318 | E | 91.4 | Very high | 89.5 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.6 | -70.5 | 174 | 173.1 | 0 | 0 | 112.2 | V314 I315 S321 G322 S323 S324 | V314-E318 HydrophobicContact CG1-CG 4.38Å; V314-E318 WeakPolarHBondContact CG1-OE1 3.33Å; V314-E318 WeakPolarHBondContact O-CG 3.26Å; V314-E318 PolarHBondContact O-N 3.48Å; I315-E318 PolarHBondContact O-N 3.16Å; E318-S321 WeakPolarHBondContact CA-OG 3.43Å; E318-S321 PolarHBondContact O-OG 2.92Å; E318-G322 PolarHBondContact O-N 3.24Å; E318-S323 WeakPolarHBondContact O-CB 3.34Å; E318-S323 PolarHBondContact O-N 2.86Å; E318-S324 PolarHBondContact O-N 3.24Å |
| 319 | F | 88.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -43 | 175.1 | -169.3 | -120.2 | 0 | 0 | 0 | 111.2 | Q275 V277 I315 R317 S321 G322 S324 L327 V339 V342 | Q275-F319 HydrophobicContact CB-CE2 4.36Å; Q275-F319 PolarHBondContact NE2-O 3.11Å; V277-F319 HydrophobicContact CG2-CE1 3.89Å; V277-F319 HydrophobicContact CG2-CZ 3.64Å; I315-F319 WeakPolarHBondContact O-CB 3.27Å; I315-F319 PolarHBondContact O-N 2.96Å; R317-F319 VanDerWaalsContact C-N 3.34Å; F319-S321 VanDerWaalsContact C-N 3.33Å; F319-S321 PolarHBondContact O-N 3.26Å; F319-G322 PolarHBondContact O-N 3.46Å; F319-S324 WeakPolarHBondContact CD2-O 3.31Å; F319-L327 HydrophobicContact CD1-CB 4.2Å; F319-L327 HydrophobicContact CD1-CD2 3.66Å; F319-L327 HydrophobicContact CD2-CB 3.76Å; F319-L327 HydrophobicContact CE1-CB 3.99Å; F319-L327 HydrophobicContact CE1-CD2 3.78Å; F319-L327 HydrophobicContact CE2-CB 3.56Å; F319-L327 HydrophobicContact CG-CB 4.09Å; F319-L327 HydrophobicContact CG-CD2 4.1Å; F319-L327 HydrophobicContact CZ-CB 3.69Å; F319-L327 HydrophobicContact CZ-CD2 4.35Å; F319-V339 HydrophobicContact CD1-CB 4.41Å; F319-V339 HydrophobicContact CD1-CG1 3.8Å; F319-V339 HydrophobicContact CD1-CG2 3.91Å; F319-V339 HydrophobicContact CE1-CB 4.04Å; F319-V339 HydrophobicContact CE1-CG1 3.57Å; F319-V339 HydrophobicContact CE1-CG2 3.81Å; F319-V339 HydrophobicContact CZ-CG1 4.33Å; F319-V342 HydrophobicContact CE1-CG2 3.96Å; F319-V342 HydrophobicContact CZ-CG2 3.81Å |
| 320 | R | 84.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.7 | -30.6 | 176.9 | -77.3 | 176.2 | 176.5 | 149.3 | -2.2 | 113.9 | M316 R317 G322 | M316-R320 WeakPolarHBondContact O-CB 3.44Å; M316-R320 VanDerWaalsContact O-CG 3.24Å; M316-R320 WeakPolarHBondContact O-CG 3.33Å; M316-R320 PolarHBondContact O-N 2.69Å; M316-R320 VanDerWaalsContact O-N 3.07Å; R317-R320 PolarHBondContact O-N 2.76Å; R320-G322 VanDerWaalsContact C-N 3.27Å |
| 321 | S | 86.6 | Confident | 89.9 | Confident | 73 Ų | 73 | 46 Ų | 46 | 51% | 0.51 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -8.2 | 176.8 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | R317 E318 F319 S323 | R317-S321 PolarHBondContact O-N 3.15Å; R317-S321 PolarHBondContact O-OG 3.13Å; E318-S321 WeakPolarHBondContact CA-OG 3.43Å; E318-S321 PolarHBondContact O-OG 2.92Å; F319-S321 VanDerWaalsContact C-N 3.33Å; F319-S321 PolarHBondContact O-N 3.26Å; S321-S323 PolarHBondContact O-N 2.95Å; S321-S323 WeakPolarHBondContact OG-CB 3.48Å; S321-S323 PolarHBondContact OG-N 3.18Å; S321-S323 PolarHBondContact OG-OG 3.11Å |
| 322 | G | 86.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 5.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E318 F319 R320 S324 | E318-G322 PolarHBondContact O-N 3.24Å; F319-G322 PolarHBondContact O-N 3.46Å; R320-G322 VanDerWaalsContact C-N 3.27Å; G322-S324 VanDerWaalsContact C-N 3.29Å |
| 323 | S | 88.1 | Confident | 88.4 | Confident | 94 Ų | 94 | 42.2 Ų | 42.2 | 66% | 0.657 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -66.3 | -35.6 | 174.6 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | E318 S321 | E318-S323 WeakPolarHBondContact O-CB 3.34Å; E318-S323 PolarHBondContact O-N 2.86Å; S321-S323 PolarHBondContact O-N 2.95Å; S321-S323 WeakPolarHBondContact OG-CB 3.48Å; S321-S323 PolarHBondContact OG-N 3.18Å; S321-S323 PolarHBondContact OG-OG 3.11Å |
| 324 | S | 88.6 | Confident | 87.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | trans | -103.9 | 128.7 | 162.5 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | Q275 S301 E318 F319 G322 V326 | Q275-S324 PolarHBondContact NE2-O 2.72Å; S301-S324 WeakPolarHBondContact CB-OG 3.42Å; S301-S324 VanDerWaalsContact OG-CB 3.23Å; S301-S324 WeakPolarHBondContact OG-CB 3.39Å; S301-S324 PolarHBondContact OG-OG 2.86Å; E318-S324 PolarHBondContact O-N 3.24Å; F319-S324 WeakPolarHBondContact CD2-O 3.31Å; G322-S324 VanDerWaalsContact C-N 3.29Å; S324-V326 PolarHBondContact OG-O 2.84Å | ||
| 325 | R | 89.8 | Confident | 86.1 | Confident | 157 Ų | 157 | 37.4 Ų | 37.4 | 59% | 0.592 | 19% | 0.186 | S | C | * | . | trans | -94.6 | -20.6 | 178.2 | -65.4 | -169.8 | -178.4 | -174.6 | 1.9 | 113.2 | T274 Q275 A276 | T274-R325 WeakPolarHBondContact O-CD 3.13Å; T274-R325 WeakPolarHBondContact O-CG 3.27Å; Q275-R325 CarbonylContact C-O 3.5Å; Q275-R325 WeakPolarHBondContact CA-O 3.05Å; A276-R325 PolarHBondContact N-O 3Å | ||
| 326 | V | 92.1 | Very high | 84.5 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.048 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 121.5 | -174.1 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | Y268 A276 I278 V300 S301 S324 I328 | Y268-V326 HydrophobicContact CE1-CG2 3.44Å; Y268-V326 VanDerWaalsContact CE1-CG2 3.44Å; Y268-V326 WeakPolarHBondContact OH-CG1 3.48Å; Y268-V326 WeakPolarHBondContact OH-CG2 3.4Å; A276-V326 WeakPolarHBondContact O-CA 3.49Å; I278-V326 HydrophobicContact CD1-CG1 3.83Å; I278-V326 HydrophobicContact CG1-CG1 4.3Å; V300-V326 HydrophobicContact CB-CB 4.22Å; V300-V326 HydrophobicContact CB-CG1 4.07Å; V300-V326 HydrophobicContact CG1-CB 3.86Å; V300-V326 HydrophobicContact CG1-CG1 3.64Å; V300-V326 HydrophobicContact CG1-CG2 4.46Å; S301-V326 PolarHBondContact N-O 2.8Å; S324-V326 PolarHBondContact OG-O 2.84Å; V326-I328 HydrophobicContact CG1-CG1 4.44Å |
| 327 | L | 93.4 | Very high | 83.4 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 114.1 | 175.4 | -177.4 | 62.6 | 0 | 0 | 0 | 110.6 | A276 V277 I278 S301 L303 I315 M316 F319 L333 | A276-L327 PolarHBondContact O-N 3.31Å; V277-L327 CarbonylContact C-O 3.47Å; V277-L327 WeakPolarHBondContact CA-O 3.33Å; I278-L327 PolarHBondContact N-O 3.37Å; S301-L327 WeakPolarHBondContact O-CA 3.5Å; L303-L327 HydrophobicContact CB-CD1 3.96Å; I315-L327 HydrophobicContact CG2-CD1 3.89Å; M316-L327 HydrophobicContact SD-CD2 4.48Å; F319-L327 HydrophobicContact CD1-CB 4.2Å; F319-L327 HydrophobicContact CD1-CD2 3.66Å; F319-L327 HydrophobicContact CD2-CB 3.76Å; F319-L327 HydrophobicContact CE1-CB 3.99Å; F319-L327 HydrophobicContact CE1-CD2 3.78Å; F319-L327 HydrophobicContact CE2-CB 3.56Å; F319-L327 HydrophobicContact CG-CB 4.09Å; F319-L327 HydrophobicContact CG-CD2 4.1Å; F319-L327 HydrophobicContact CZ-CB 3.69Å; F319-L327 HydrophobicContact CZ-CD2 4.35Å; L327-L333 HydrophobicContact CD2-CD1 3.7Å |
| 328 | I | 95.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 125.5 | 171.1 | -56 | 178.1 | 0 | 0 | 0 | 108 | I278 L280 V286 L289 M293 V300 S301 A302 L303 V326 | I278-I328 HydrophobicContact CB-CG1 4.3Å; I278-I328 HydrophobicContact CD1-CG1 4.14Å; I278-I328 WeakPolarHBondContact O-CA 3.35Å; L280-I328 HydrophobicContact CD1-CG2 3.32Å; V286-I328 HydrophobicContact CB-CG2 4.29Å; V286-I328 HydrophobicContact CG1-CB 4.49Å; V286-I328 HydrophobicContact CG1-CG2 3.9Å; V286-I328 HydrophobicContact CG2-CG2 4.26Å; L289-I328 HydrophobicContact CD2-CD1 4.11Å; L289-I328 HydrophobicContact CD2-CG2 4.08Å; L289-I328 HydrophobicContact CG-CD1 4.04Å; M293-I328 HydrophobicContact CG-CD1 4.29Å; V300-I328 HydrophobicContact CB-CD1 3.94Å; V300-I328 HydrophobicContact CB-CG1 4.33Å; V300-I328 HydrophobicContact CG1-CD1 4.32Å; V300-I328 HydrophobicContact CG2-CD1 3.65Å; V300-I328 HydrophobicContact CG2-CG1 4.5Å; S301-I328 PolarHBondContact O-N 2.85Å; A302-I328 CarbonylContact C-O 3.48Å; A302-I328 VanDerWaalsContact CA-O 3.28Å; A302-I328 WeakPolarHBondContact CA-O 3.36Å; L303-I328 PolarHBondContact N-O 2.85Å; V326-I328 HydrophobicContact CG1-CG1 4.44Å |
| 329 | T | 94.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 171.6 | -173.9 | -165.5 | 0 | 0 | 0 | 0 | 113.5 | V277 I278 F279 L280 L303 L333 | V277-T329 HydrophobicContact CG1-CG2 3.78Å; I278-T329 PolarHBondContact O-N 2.98Å; F279-T329 WeakPolarHBondContact CA-O 3.22Å; F279-T329 HydrophobicContact CD1-CG2 3.7Å; F279-T329 HydrophobicContact CE1-CG2 3.52Å; F279-T329 HydrophobicContact CZ-CG2 4.28Å; L280-T329 PolarHBondContact N-O 3.11Å; L303-T329 WeakPolarHBondContact O-CA 3.36Å; L303-T329 WeakPolarHBondContact O-CB 3.31Å; L303-T329 PolarHBondContact O-OG1 2.83Å; T329-L333 HydrophobicContact CG2-CB 4.01Å; T329-L333 HydrophobicContact CG2-CD1 4.23Å; T329-L333 HydrophobicContact CG2-CG 4.42Å; T329-L333 VanDerWaalsContact OG1-CD1 3.31Å; T329-L333 WeakPolarHBondContact OG1-CD1 3.4Å; T329-L333 VanDerWaalsContact OG1-CG 3.27Å; T329-L333 WeakPolarHBondContact OG1-CG 3.46Å |
| 330 | T | 92.3 | Very high | 80 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 177.3 | 170 | 58 | 0 | 0 | 0 | 0 | 110.4 | L280 R283 V286 H304 L332 L333 | L280-T330 WeakPolarHBondContact O-CA 3.27Å; R283-T330 HydrophobicContact CG-CG2 4.16Å; V286-T330 HydrophobicContact CG2-CG2 3.68Å; H304-T330 HydrophobicContact CB-CG2 4.24Å; T330-L332 PolarHBondContact O-N 2.64Å; T330-L332 VanDerWaalsContact OG1-CB 3.26Å; T330-L332 WeakPolarHBondContact OG1-CB 3.45Å; T330-L332 PolarHBondContact OG1-N 2.83Å; T330-L333 PolarHBondContact O-N 3.45Å; T330-L333 VanDerWaalsContact O-N 3.16Å |
| 331 | D | 86.6 | Confident | 79.4 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -53.8 | -13.3 | 170.1 | -79.1 | -45.2 | 0 | 0 | 0 | 114.5 | L333 A334 N356 R360 | D331-L333 PolarHBondContact O-N 2.91Å; D331-L333 VanDerWaalsContact O-N 3.09Å; D331-A334 HydrophobicContact CB-CB 4.44Å; D331-A334 WeakPolarHBondContact O-CB 3.37Å; D331-A334 PolarHBondContact O-N 3.36Å; D331-N356 PolarHBondContact OD2-ND2 3.17Å; D331-R360 IonicContact OD1-CZ 3.39Å; D331-R360 VanDerWaalsContact OD1-CZ 3.29Å; D331-R360 IonicContact OD1-NE 3.72Å; D331-R360 PolarHBondContact OD1-NE 2.81Å; D331-R360 IonicContact OD1-NH2 3.8Å; D331-R360 PolarHBondContact OD1-NH2 3.33Å; D331-R360 VanDerWaalsContact OD1-NH2 3.11Å; D331-R360 IonicContact OD2-CZ 2.82Å; D331-R360 IonicContact OD2-NE 3.46Å; D331-R360 IonicContact OD2-NH2 2.66Å; D331-R360 PolarHBondContact OD2-NH2 3.28Å |
| 332 | L | 76 | Confident | 79.1 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -45.7 | -40.6 | 170.7 | -179 | 57.8 | 0 | 0 | 0 | 112.9 | T110 R191 L303 H304 G305 T330 | T110-L332 HydrophobicContact CG2-CD1 4.2Å; R191-L332 PolarHBondContact NH2-O 3.44Å; L303-L332 HydrophobicContact CD2-CD2 4.01Å; H304-L332 VanDerWaalsContact C-CD2 3.47Å; G305-L332 VanDerWaalsContact CA-CD2 3.5Å; G305-L332 VanDerWaalsContact N-CD2 3.32Å; T330-L332 PolarHBondContact O-N 2.64Å; T330-L332 VanDerWaalsContact OG1-CB 3.26Å; T330-L332 WeakPolarHBondContact OG1-CB 3.45Å; T330-L332 PolarHBondContact OG1-N 2.83Å |
| 333 | L | 74.1 | Confident | 78.9 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -105.6 | 3.1 | -178.6 | -56.5 | -169.3 | 0 | 0 | 0 | 114 | L303 M316 L327 T329 T330 D331 R335 I337 | L303-L333 HydrophobicContact CB-CD1 3.85Å; L303-L333 HydrophobicContact CD1-CD1 3.92Å; L303-L333 HydrophobicContact CD1-CD2 4.44Å; L303-L333 HydrophobicContact CD2-CD1 3.7Å; L303-L333 HydrophobicContact CD2-CD2 3.54Å; L303-L333 HydrophobicContact CD2-CG 3.79Å; L303-L333 HydrophobicContact CG-CD1 3.98Å; M316-L333 HydrophobicContact SD-CD1 4.05Å; L327-L333 HydrophobicContact CD2-CD1 3.7Å; T329-L333 HydrophobicContact CG2-CB 4.01Å; T329-L333 HydrophobicContact CG2-CD1 4.23Å; T329-L333 HydrophobicContact CG2-CG 4.42Å; T329-L333 VanDerWaalsContact OG1-CD1 3.31Å; T329-L333 WeakPolarHBondContact OG1-CD1 3.4Å; T329-L333 VanDerWaalsContact OG1-CG 3.27Å; T329-L333 WeakPolarHBondContact OG1-CG 3.46Å; T330-L333 PolarHBondContact O-N 3.45Å; T330-L333 VanDerWaalsContact O-N 3.16Å; D331-L333 PolarHBondContact O-N 2.91Å; D331-L333 VanDerWaalsContact O-N 3.09Å; L333-R335 PolarHBondContact O-N 3.36Å; L333-R335 VanDerWaalsContact O-N 3.16Å; L333-I337 HydrophobicContact CB-CD1 3.79Å; L333-I337 HydrophobicContact CD1-CD1 4.13Å; L333-I337 HydrophobicContact CD2-CD1 3.1Å; L333-I337 HydrophobicContact CD2-CG1 4.5Å; L333-I337 HydrophobicContact CG-CD1 3.8Å |
| 334 | A | 64.5 | Low | 78.9 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F279 D331 H359 R360 R363 | F279-A334 HydrophobicContact CD1-CB 4.47Å; F279-A334 HydrophobicContact CE1-CB 3.78Å; F279-A334 HydrophobicContact CZ-CB 4.12Å; D331-A334 HydrophobicContact CB-CB 4.44Å; D331-A334 WeakPolarHBondContact O-CB 3.37Å; D331-A334 PolarHBondContact O-N 3.36Å; A334-H359 HydrophobicContact CB-CB 4.31Å; A334-H359 CarbonylContact O-C 3.54Å; A334-H359 VanDerWaalsContact O-C 3.3Å; A334-R360 HydrophobicContact CB-CG 3.8Å; A334-R363 PolarHBondContact O-NE 2.97Å; A334-R363 PolarHBondContact O-NH2 2.86Å |
| 335 | R | 67.9 | Low | 79 | Confident | 3 Ų | 3 | 25.2 Ų | 25.2 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -116.8 | 150.8 | -174.3 | -51.7 | -167.1 | -169.5 | -164.6 | -0.2 | 113.1 | E184 D186 E187 L333 I337 N356 H359 | E184-R335 WeakPolarHBondContact OE2-CB 3.46Å; D186-R335 IonicContact OD1-NH1 3.83Å; D186-R335 PolarHBondContact OD1-NH1 3.22Å; D186-R335 IonicContact OD2-CZ 3.58Å; D186-R335 IonicContact OD2-NH1 3.72Å; D186-R335 PolarHBondContact OD2-NH1 3.26Å; D186-R335 IonicContact OD2-NH2 2.78Å; E187-R335 VanDerWaalsContact CD-CD 3.43Å; E187-R335 WeakPolarHBondContact OE2-CD 3.01Å; E187-R335 IonicContact OE2-CZ 3.91Å; E187-R335 IonicContact OE2-NE 3.83Å; E187-R335 PolarHBondContact OE2-NE 2.92Å; E187-R335 IonicContact OE2-NH1 3.37Å; E187-R335 PolarHBondContact OE2-NH1 3.35Å; E187-R335 IonicContact OE2-NH2 2.76Å; E187-R335 PolarHBondContact OE2-NH2 3.44Å; L333-R335 PolarHBondContact O-N 3.36Å; L333-R335 VanDerWaalsContact O-N 3.16Å; R335-I337 VanDerWaalsContact C-N 3.26Å; R335-I337 PolarHBondContact O-N 3.39Å; R335-N356 PolarHBondContact NH2-OD1 2.91Å; R335-H359 HydrophobicContact CG-CB 3.71Å; R335-H359 PolarHBondContact NE-CD2 3.04Å; R335-H359 PolarHBondContact NE-NE2 3.09Å; R335-H359 PolarHBondContact NH1-NE2 3.09Å; R335-H359 PolarHBondContact NH2-CD2 3.2Å |
| 336 | G | 57.9 | Low | 79.3 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 75.3 | -31.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 119 | Q116 E184 D338 | Q116-G336 PolarHBondContact NE2-O 3.49Å; Q116-G336 PolarHBondContact OE1-O 3.14Å; E184-G336 WeakPolarHBondContact OE1-CA 3.31Å; E184-G336 PolarHBondContact OE1-N 3.22Å; G336-D338 PolarHBondContact O-N 3.12Å |
| 337 | I | 64.7 | Low | 79.5 | Confident | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.026 | 9% | 0.089 | C | C | . | . | trans | -82 | 110.3 | -164.6 | -61.1 | -175.3 | 0 | 0 | 0 | 113.9 | E112 M316 L333 R335 V339 R363 | E112-I337 HydrophobicContact CB-CD1 3.85Å; E112-I337 HydrophobicContact CB-CG1 4.15Å; E112-I337 HydrophobicContact CG-CD1 4.18Å; M316-I337 HydrophobicContact CE-CD1 4.27Å; M316-I337 HydrophobicContact CE-CG2 3.28Å; M316-I337 HydrophobicContact SD-CD1 4.17Å; M316-I337 HydrophobicContact SD-CG2 4.38Å; L333-I337 HydrophobicContact CB-CD1 3.79Å; L333-I337 HydrophobicContact CD1-CD1 4.13Å; L333-I337 HydrophobicContact CD2-CD1 3.1Å; L333-I337 HydrophobicContact CD2-CG1 4.5Å; L333-I337 HydrophobicContact CG-CD1 3.8Å; R335-I337 VanDerWaalsContact C-N 3.26Å; R335-I337 PolarHBondContact O-N 3.39Å; I337-V339 HydrophobicContact CG2-CG2 3.64Å; I337-V339 PolarHBondContact O-N 3.45Å; I337-V339 VanDerWaalsContact O-N 3.09Å; I337-R363 VanDerWaalsContact N-NH1 3.1Å; I337-R363 PolarHBondContact O-NH1 3.49Å | ||
| 338 | D | 64.2 | Low | 79.7 | Confident | 42 Ų | 42 | 17.1 Ų | 17.1 | 23% | 0.225 | 9% | 0.088 | C | C | . | . | trans | -72.5 | 104.3 | 175.4 | -165.1 | 31.6 | 0 | 0 | 0 | 111.5 | G336 Q340 R366 | G336-D338 PolarHBondContact O-N 3.12Å; D338-Q340 WeakPolarHBondContact OD1-CG 3.13Å; D338-Q340 PolarHBondContact OD2-NE2 3.11Å; D338-Q340 VanDerWaalsContact OD2-NE2 3.15Å; D338-R366 VanDerWaalsContact CA-NH1 3.31Å; D338-R366 IonicContact OD1-CZ 3.87Å; D338-R366 IonicContact OD1-NH1 3.26Å; D338-R366 PolarHBondContact OD1-NH1 2.79Å | ||
| 339 | V | 68 | Low | 79.8 | Confident | 10 Ų | 10 | 17.7 Ų | 17.7 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | trans | -127.9 | 91.6 | 167.5 | -160.9 | 0 | 0 | 0 | 0 | 106.7 | M316 F319 I337 Q341 V342 | M316-V339 HydrophobicContact CE-CG2 4.44Å; F319-V339 HydrophobicContact CD1-CB 4.41Å; F319-V339 HydrophobicContact CD1-CG1 3.8Å; F319-V339 HydrophobicContact CD1-CG2 3.91Å; F319-V339 HydrophobicContact CE1-CB 4.04Å; F319-V339 HydrophobicContact CE1-CG1 3.57Å; F319-V339 HydrophobicContact CE1-CG2 3.81Å; F319-V339 HydrophobicContact CZ-CG1 4.33Å; I337-V339 HydrophobicContact CG2-CG2 3.64Å; I337-V339 PolarHBondContact O-N 3.45Å; I337-V339 VanDerWaalsContact O-N 3.09Å; V339-Q341 PolarHBondContact O-N 3.48Å; V339-V342 HydrophobicContact CB-CG2 3.78Å; V339-V342 HydrophobicContact CG1-CG2 3.72Å | ||
| 340 | Q | 65 | Low | 79.8 | Confident | 94 Ų | 94 | 17.9 Ų | 17.9 | 44% | 0.439 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.3 | -171.1 | -61.7 | 179.4 | -2.2 | 0 | 0 | 113.4 | D338 R369 | D338-Q340 WeakPolarHBondContact OD1-CG 3.13Å; D338-Q340 PolarHBondContact OD2-NE2 3.11Å; D338-Q340 VanDerWaalsContact OD2-NE2 3.15Å; Q340-R369 PolarHBondContact O-NH1 2.83Å |
| 341 | Q | 71.5 | Confident | 79.8 | Confident | 110 Ų | 110 | 17.3 Ų | 17.3 | 51% | 0.514 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 1.1 | -172.1 | -74.5 | -176.9 | 8.2 | 0 | 0 | 113.7 | Q275 V339 S343 | Q275-Q341 HydrophobicContact CG-CB 4.49Å; V339-Q341 PolarHBondContact O-N 3.48Å; Q341-S343 PolarHBondContact O-N 2.95Å |
| 342 | V | 80 | Confident | 79.8 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | trans | -72.9 | 113.1 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | V277 F319 V339 L344 V345 R363 G364 | V277-V342 HydrophobicContact CG2-CG1 3.92Å; V277-V342 HydrophobicContact CG2-CG2 3.78Å; F319-V342 HydrophobicContact CE1-CG2 3.96Å; F319-V342 HydrophobicContact CZ-CG2 3.81Å; V339-V342 HydrophobicContact CB-CG2 3.78Å; V339-V342 HydrophobicContact CG1-CG2 3.72Å; V342-L344 WeakPolarHBondContact CG1-O 3.34Å; V342-V345 HydrophobicContact CG1-CG2 4.11Å; V342-R363 HydrophobicContact CB-CB 4.37Å; V342-R363 HydrophobicContact CG1-CB 4.21Å; V342-G364 WeakPolarHBondContact O-CA 3.32Å | ||
| 343 | S | 82.9 | Confident | 80.3 | Confident | 23 Ų | 23 | 23.7 Ų | 23.7 | 16% | 0.161 | 13% | 0.127 | C | C | . | . | trans | -97.7 | -24.7 | 173.7 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | T274 Q275 Q341 V372 | T274-S343 PolarHBondContact OG1-OG 2.7Å; Q275-S343 PolarHBondContact O-N 3.35Å; Q341-S343 PolarHBondContact O-N 2.95Å; S343-V372 PolarHBondContact O-N 3.48Å | ||
| 344 | L | 88.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.3 | -174.8 | -179.3 | 61.7 | 0 | 0 | 0 | 111.5 | L271 I273 Q275 A276 V277 V342 I346 V372 I374 I407 | L271-L344 HydrophobicContact CD1-CD2 4.13Å; I273-L344 HydrophobicContact CD1-CD2 3.97Å; I273-L344 HydrophobicContact CG1-CD2 3.89Å; Q275-L344 PolarHBondContact O-N 2.98Å; A276-L344 WeakPolarHBondContact CA-O 3.49Å; A276-L344 HydrophobicContact CB-CB 4.11Å; A276-L344 HydrophobicContact CB-CD2 4.28Å; A276-L344 HydrophobicContact CB-CG 4.31Å; V277-L344 PolarHBondContact N-O 2.93Å; V277-L344 VanDerWaalsContact N-O 3.07Å; V342-L344 WeakPolarHBondContact CG1-O 3.34Å; L344-I346 HydrophobicContact CD1-CG1 4.37Å; L344-I346 HydrophobicContact CD2-CD1 4.09Å; L344-I346 HydrophobicContact CD2-CG1 4.2Å; L344-I346 HydrophobicContact CG-CD1 4.46Å; L344-I346 HydrophobicContact CG-CG1 4.04Å; L344-V372 WeakPolarHBondContact CA-O 3.5Å; L344-V372 HydrophobicContact CD1-CB 4.14Å; L344-V372 HydrophobicContact CD1-CG1 4.09Å; L344-I374 HydrophobicContact CD1-CD1 3.77Å; L344-I374 HydrophobicContact CD1-CG1 3.94Å; L344-I407 HydrophobicContact CD1-CD1 4.2Å; L344-I407 HydrophobicContact CD2-CD1 4.49Å |
| 345 | V | 90.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.8 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | V277 F279 V342 I361 R363 V372 A373 I374 | V277-V345 WeakPolarHBondContact O-CA 3.38Å; F279-V345 HydrophobicContact CD2-CG1 3.78Å; F279-V345 HydrophobicContact CE2-CG1 3.84Å; V342-V345 HydrophobicContact CG1-CG2 4.11Å; V345-I361 HydrophobicContact CG1-CG2 4.48Å; V345-R363 HydrophobicContact CG2-CB 4.19Å; V345-V372 PolarHBondContact N-O 3.33Å; V345-A373 CarbonylContact O-C 3.59Å; V345-A373 VanDerWaalsContact O-CA 3.29Å; V345-A373 WeakPolarHBondContact O-CA 3.43Å; V345-I374 PolarHBondContact O-N 3.5Å |
| 346 | I | 94.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.3 | 174.5 | -55.8 | 178.9 | 0 | 0 | 0 | 108.3 | L264 L267 Y268 V277 I278 F279 L344 Y348 I374 F376 | L264-I346 HydrophobicContact CD1-CD1 3.62Å; L264-I346 HydrophobicContact CD1-CG2 4.17Å; L267-I346 HydrophobicContact CD1-CD1 4.48Å; Y268-I346 HydrophobicContact CE2-CD1 4.49Å; V277-I346 PolarHBondContact O-N 3.33Å; I278-I346 CarbonylContact C-O 3.59Å; I278-I346 VanDerWaalsContact CA-O 3.31Å; I278-I346 WeakPolarHBondContact CA-O 3.34Å; I278-I346 HydrophobicContact CG1-CB 4.23Å; I278-I346 HydrophobicContact CG1-CD1 4.43Å; I278-I346 HydrophobicContact CG2-CB 4.42Å; I278-I346 HydrophobicContact CG2-CG2 4.48Å; F279-I346 PolarHBondContact N-O 3.03Å; L344-I346 HydrophobicContact CD1-CG1 4.37Å; L344-I346 HydrophobicContact CD2-CD1 4.09Å; L344-I346 HydrophobicContact CD2-CG1 4.2Å; L344-I346 HydrophobicContact CG-CD1 4.46Å; L344-I346 HydrophobicContact CG-CG1 4.04Å; I346-Y348 PolarHBondContact O-N 3.18Å; I346-I374 CarbonylContact C-O 3.58Å; I346-I374 WeakPolarHBondContact CA-O 3.31Å; I346-F376 HydrophobicContact CG2-CE1 4.31Å; I346-F376 HydrophobicContact CG2-CZ 4.25Å |
| 347 | N | 96.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 87.6 | 166.3 | -70.7 | -41.1 | 0 | 0 | 0 | 108 | D349 R360 I374 N375 F376 | N347-D349 PolarHBondContact O-N 2.9Å; N347-R360 WeakPolarHBondContact OD1-CD 3.22Å; N347-I374 PolarHBondContact N-O 3Å; N347-N375 WeakPolarHBondContact CB-OD1 3.46Å; N347-N375 PolarHBondContact ND2-OD1 3.31Å; N347-F376 PolarHBondContact O-N 2.68Å |
| 348 | Y | 97.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -62.6 | -38.5 | 174.4 | -169.3 | -78.2 | 0 | 0 | 0 | 110.3 | K260 L261 L264 I278 F279 L280 W288 L289 I346 F376 | K260-Y348 HydrophobicContact CB-CD1 4.5Å; K260-Y348 HydrophobicContact CB-CE1 3.73Å; K260-Y348 HydrophobicContact CB-CE2 3.77Å; K260-Y348 VanDerWaalsContact CB-OH 3.28Å; K260-Y348 WeakPolarHBondContact CB-OH 3.12Å; K260-Y348 HydrophobicContact CD-CD1 3.91Å; K260-Y348 HydrophobicContact CD-CE1 3.65Å; K260-Y348 VanDerWaalsContact CD-O 3.3Å; K260-Y348 WeakPolarHBondContact CD-O 3.24Å; K260-Y348 WeakPolarHBondContact CE-O 3.35Å; K260-Y348 HydrophobicContact CG-CE1 4.35Å; K260-Y348 PolarHBondContact NZ-O 3.37Å; L261-Y348 PolarHBondContact N-OH 3.12Å; L264-Y348 HydrophobicContact CB-CE2 4.34Å; L264-Y348 HydrophobicContact CD2-CD2 4.06Å; L264-Y348 HydrophobicContact CD2-CE2 4.03Å; I278-Y348 HydrophobicContact CG2-CD2 4.47Å; F279-Y348 WeakPolarHBondContact O-CB 3.34Å; F279-Y348 PolarHBondContact O-N 2.98Å; F279-Y348 VanDerWaalsContact O-N 3.13Å; L280-Y348 HydrophobicContact CD2-CD1 3.83Å; L280-Y348 HydrophobicContact CD2-CE1 4.35Å; L280-Y348 HydrophobicContact CD2-CG 4.21Å; L280-Y348 HydrophobicContact CG-CD1 4.31Å; L280-Y348 HydrophobicContact CG-CG 4.37Å; W288-Y348 HydrophobicContact CZ3-CE1 4.47Å; W288-Y348 WeakPolarHBondContact CZ3-OH 3.3Å; L289-Y348 HydrophobicContact CD1-CD2 4.42Å; L289-Y348 HydrophobicContact CD1-CE2 3.77Å; L289-Y348 HydrophobicContact CD2-CD2 3.87Å; L289-Y348 HydrophobicContact CD2-CE2 4.05Å; L289-Y348 HydrophobicContact CD2-CG 4.28Å; I346-Y348 PolarHBondContact O-N 3.18Å; Y348-F376 AromaticContact CD2-CD2 3.91Å; Y348-F376 HydrophobicContact CD2-CD2 3.91Å; Y348-F376 AromaticContact CD2-CE2 3.89Å; Y348-F376 HydrophobicContact CD2-CE2 3.89Å; Y348-F376 HydrophobicContact CE2-CD2 4.28Å; Y348-F376 HydrophobicContact CE2-CE2 4.15Å; Y348-F376 HydrophobicContact CG-CD2 4.28Å |
| 349 | D | 96.9 | Very high | 85.4 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -110.9 | 138.5 | 162.7 | -63.2 | -31 | 0 | 0 | 0 | 109.2 | K260 F279 N281 K285 N347 R360 | K260-D349 IonicContact NZ-OD1 2.57Å; K260-D349 PolarHBondContact NZ-OD1 3.25Å; F279-D349 PolarHBondContact O-N 3.33Å; N281-D349 HydrophobicContact CB-CB 4.28Å; N281-D349 PolarHBondContact N-OD2 2.63Å; K285-D349 WeakPolarHBondContact CD-OD2 3.23Å; K285-D349 IonicContact NZ-OD1 3.13Å; K285-D349 PolarHBondContact NZ-OD1 2.7Å; K285-D349 IonicContact NZ-OD2 3.57Å; K285-D349 PolarHBondContact NZ-OD2 3.2Å; N347-D349 PolarHBondContact O-N 2.9Å; D349-R360 PolarHBondContact O-NH1 3.47Å |
| 350 | L | 95.5 | Very high | 86.3 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | trans | -61 | 144 | 163.2 | -72.3 | -175.3 | 0 | 0 | 0 | 109.7 | N281 T352 N375 V377 D381 I384 L385 | N281-L350 PolarHBondContact ND2-O 2.67Å; N281-L350 PolarHBondContact OD1-O 3Å; L350-T352 PolarHBondContact O-N 3.01Å; L350-N375 HydrophobicContact CD2-CB 3.93Å; L350-V377 HydrophobicContact CD1-CG2 4.45Å; L350-D381 HydrophobicContact CD1-CB 3.77Å; L350-D381 HydrophobicContact CG-CB 4.46Å; L350-I384 HydrophobicContact CB-CG2 4.12Å; L350-I384 HydrophobicContact CD1-CB 3.96Å; L350-I384 HydrophobicContact CD1-CG2 3.95Å; L350-L385 HydrophobicContact CD1-CB 3.99Å | ||
| 351 | P | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -62 | 138.9 | 179 | 27.5 | -34.6 | 0 | 0 | 0 | 110.6 | N353 N356 Y357 I388 | P351-N353 WeakPolarHBondContact CB-O 3.49Å; P351-N353 PolarHBondContact O-N 3.39Å; P351-N356 HydrophobicContact CB-CB 3.9Å; P351-Y357 HydrophobicContact CG-CD2 4.07Å; P351-I388 HydrophobicContact CG-CD1 4.09Å | ||
| 352 | T | 87.4 | Confident | 87.4 | Confident | 113 Ų | 113 | 17.7 Ų | 17.7 | 69% | 0.693 | 9% | 0.093 | S | C | * | . | S | Bend | trans | -63.9 | -26.7 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | N281 L350 | N281-T352 HydrophobicContact CB-CG2 4.26Å; L350-T352 PolarHBondContact O-N 3.01Å |
| 353 | N | 84.6 | Confident | 86.7 | Confident | 66 Ų | 66 | 17.9 Ų | 17.9 | 35% | 0.353 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -120.3 | 130.2 | 174.6 | -166.7 | 14.8 | 0 | 0 | 0 | 111.4 | P351 E355 N356 | P351-N353 WeakPolarHBondContact CB-O 3.49Å; P351-N353 PolarHBondContact O-N 3.39Å; N353-E355 PolarHBondContact ND2-OE2 3.12Å; N353-E355 PolarHBondContact O-N 2.91Å; N353-E355 PolarHBondContact OD1-OE2 3.46Å; N353-N356 WeakPolarHBondContact O-CB 3.46Å; N353-N356 PolarHBondContact O-N 2.65Å |
| 354 | R | 85.5 | Confident | 85.4 | Confident | 86 Ų | 86 | 17 Ų | 17 | 33% | 0.325 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -31.3 | -177.4 | 66.6 | -170.4 | 171.4 | -164.3 | -3.4 | 113.1 | N356 Y357 D387 I388 F391 Y392 | R354-N356 PolarHBondContact O-N 2.63Å; R354-Y357 VanDerWaalsContact O-CB 3.29Å; R354-Y357 WeakPolarHBondContact O-CB 3.49Å; R354-Y357 PolarHBondContact O-N 3.47Å; R354-Y357 VanDerWaalsContact O-N 3.1Å; R354-D387 WeakPolarHBondContact CD-OD2 3.46Å; R354-D387 IonicContact NH1-OD1 2.76Å; R354-D387 PolarHBondContact NH1-OD1 3.01Å; R354-D387 VanDerWaalsContact NH1-OD1 3.12Å; R354-D387 IonicContact NH1-OD2 3.67Å; R354-D387 PolarHBondContact NH1-OD2 2.82Å; R354-I388 HydrophobicContact CB-CG1 4.15Å; R354-F391 HydrophobicContact CG-CD1 4.35Å; R354-F391 HydrophobicContact CG-CG 4.35Å; R354-Y392 VanDerWaalsContact O-CE2 3.3Å; R354-Y392 WeakPolarHBondContact O-CE2 3.37Å; R354-Y392 PolarHBondContact O-OH 2.94Å |
| 355 | E | 80.7 | Confident | 83.7 | Confident | 28 Ų | 28 | 17.6 Ų | 17.6 | 13% | 0.131 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -28.4 | 175.8 | -68.8 | 78.2 | -160.3 | 0 | 0 | 112.5 | T216 N353 Y357 I358 H359 Y392 | T216-E355 HydrophobicContact CG2-CB 4.39Å; T216-E355 HydrophobicContact CG2-CG 4.32Å; N353-E355 PolarHBondContact ND2-OE2 3.12Å; N353-E355 PolarHBondContact O-N 2.91Å; N353-E355 PolarHBondContact OD1-OE2 3.46Å; E355-Y357 VanDerWaalsContact C-N 3.27Å; E355-Y357 PolarHBondContact O-N 3.47Å; E355-I358 WeakPolarHBondContact O-CG1 3.41Å; E355-H359 PolarHBondContact O-CD2 3.16Å; E355-Y392 WeakPolarHBondContact CA-OH 3.32Å; E355-Y392 PolarHBondContact O-OH 3.33Å |
| 356 | N | 85 | Confident | 82.2 | Confident | 14 Ų | 14 | 18.6 Ų | 18.6 | 8% | 0.075 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.2 | -19.2 | 177.9 | -74.1 | -6.5 | 0 | 0 | 0 | 113.5 | D331 R335 P351 N353 R354 H359 R360 | D331-N356 PolarHBondContact OD2-ND2 3.17Å; R335-N356 PolarHBondContact NH2-OD1 2.91Å; P351-N356 HydrophobicContact CB-CB 3.9Å; N353-N356 WeakPolarHBondContact O-CB 3.46Å; N353-N356 PolarHBondContact O-N 2.65Å; R354-N356 PolarHBondContact O-N 2.63Å; N356-H359 WeakPolarHBondContact O-CB 3.45Å; N356-H359 PolarHBondContact O-N 2.97Å; N356-H359 VanDerWaalsContact O-N 3.15Å; N356-R360 WeakPolarHBondContact O-CG 3.41Å; N356-R360 PolarHBondContact O-N 3.07Å |
| 357 | Y | 88.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.4 | -54.6 | -174.8 | -176.4 | -103.7 | 0 | 0 | 0 | 112.6 | Q249 P351 R354 E355 H359 R360 I361 N375 I388 Y392 | Q249-Y357 VanDerWaalsContact OE1-CE1 3.32Å; Q249-Y357 PolarHBondContact OE1-OH 3.38Å; P351-Y357 HydrophobicContact CG-CD2 4.07Å; R354-Y357 VanDerWaalsContact O-CB 3.29Å; R354-Y357 WeakPolarHBondContact O-CB 3.49Å; R354-Y357 PolarHBondContact O-N 3.47Å; R354-Y357 VanDerWaalsContact O-N 3.1Å; E355-Y357 VanDerWaalsContact C-N 3.27Å; E355-Y357 PolarHBondContact O-N 3.47Å; Y357-H359 PolarHBondContact O-N 2.88Å; Y357-H359 VanDerWaalsContact O-N 3.17Å; Y357-R360 PolarHBondContact O-N 3.33Å; Y357-R360 VanDerWaalsContact O-N 3.16Å; Y357-I361 HydrophobicContact CD1-CD1 4.1Å; Y357-I361 HydrophobicContact CE1-CD1 3.58Å; Y357-I361 HydrophobicContact CE1-CG1 4.4Å; Y357-I361 HydrophobicContact CE1-CG2 4.44Å; Y357-I361 HydrophobicContact CE2-CG2 4.25Å; Y357-I361 WeakPolarHBondContact O-CG1 3.3Å; Y357-I361 PolarHBondContact O-N 3.3Å; Y357-N375 WeakPolarHBondContact CE2-OD1 3.39Å; Y357-N375 PolarHBondContact OH-ND2 3.3Å; Y357-I388 HydrophobicContact CD1-CG2 3.38Å; Y357-I388 HydrophobicContact CD2-CD1 3.81Å; Y357-I388 HydrophobicContact CD2-CG2 3.92Å; Y357-I388 HydrophobicContact CE1-CG2 3.65Å; Y357-I388 HydrophobicContact CE2-CD1 4.38Å; Y357-I388 HydrophobicContact CE2-CG2 4.13Å; Y357-I388 HydrophobicContact CG-CD1 4.16Å; Y357-I388 HydrophobicContact CG-CG2 3.52Å; Y357-Y392 HydrophobicContact CD1-CD2 4.38Å; Y357-Y392 HydrophobicContact CD1-CE2 4.34Å |
| 358 | I | 81.7 | Confident | 78.4 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -29.5 | 178.5 | 58.4 | 166.1 | 0 | 0 | 0 | 112.4 | A215 T216 L244 E355 G362 Y392 | A215-I358 HydrophobicContact CB-CD1 4.41Å; T216-I358 HydrophobicContact CG2-CD1 3.87Å; L244-I358 HydrophobicContact CD1-CB 4.42Å; E355-I358 WeakPolarHBondContact O-CG1 3.41Å; I358-G362 WeakPolarHBondContact O-CA 2.95Å; I358-G362 PolarHBondContact O-N 3.05Å; I358-Y392 HydrophobicContact CB-CE1 4.45Å; I358-Y392 HydrophobicContact CD1-CE1 4.13Å; I358-Y392 HydrophobicContact CG1-CE1 4.28Å; I358-Y392 HydrophobicContact CG2-CD1 3.77Å; I358-Y392 HydrophobicContact CG2-CD2 4.28Å; I358-Y392 HydrophobicContact CG2-CE1 3.39Å; I358-Y392 HydrophobicContact CG2-CE2 3.96Å; I358-Y392 HydrophobicContact CG2-CG 4.19Å; I358-Y392 VanDerWaalsContact CG2-CZ 3.48Å |
| 359 | H | 79.2 | Confident | 76.9 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.2 | -43.3 | 179.5 | -70.4 | -65.6 | 0 | 0 | 0 | 111.6 | D186 A215 A334 R335 E355 N356 Y357 | D186-H359 IonicContact OD2-CE1 2.87Å; D186-H359 IonicContact OD2-NE2 3.48Å; D186-H359 PolarHBondContact OD2-NE2 2.76Å; A215-H359 WeakPolarHBondContact CB-CE1 3.29Å; A334-H359 HydrophobicContact CB-CB 4.31Å; A334-H359 CarbonylContact O-C 3.54Å; A334-H359 VanDerWaalsContact O-C 3.3Å; R335-H359 HydrophobicContact CG-CB 3.71Å; R335-H359 PolarHBondContact NE-CD2 3.04Å; R335-H359 PolarHBondContact NE-NE2 3.09Å; R335-H359 PolarHBondContact NH1-NE2 3.09Å; R335-H359 PolarHBondContact NH2-CD2 3.2Å; E355-H359 PolarHBondContact O-CD2 3.16Å; N356-H359 WeakPolarHBondContact O-CB 3.45Å; N356-H359 PolarHBondContact O-N 2.97Å; N356-H359 VanDerWaalsContact O-N 3.15Å; Y357-H359 PolarHBondContact O-N 2.88Å; Y357-H359 VanDerWaalsContact O-N 3.17Å |
| 360 | R | 86.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.9 | -52.7 | 174.2 | -69.9 | -172.4 | -177.8 | -170 | 1.5 | 110.9 | F279 N281 D331 A334 N347 D349 N356 Y357 | F279-R360 HydrophobicContact CB-CG 4.39Å; F279-R360 HydrophobicContact CD1-CG 4.05Å; F279-R360 HydrophobicContact CD2-CB 3.72Å; F279-R360 HydrophobicContact CD2-CG 3.78Å; F279-R360 HydrophobicContact CE1-CG 4.25Å; F279-R360 HydrophobicContact CE2-CB 3.74Å; F279-R360 HydrophobicContact CE2-CG 3.99Å; F279-R360 HydrophobicContact CG-CB 4.28Å; F279-R360 HydrophobicContact CG-CG 3.81Å; F279-R360 HydrophobicContact CZ-CB 4.32Å; F279-R360 HydrophobicContact CZ-CG 4.23Å; N281-R360 PolarHBondContact OD1-NH2 3.26Å; D331-R360 IonicContact OD1-CZ 3.39Å; D331-R360 VanDerWaalsContact OD1-CZ 3.29Å; D331-R360 IonicContact OD1-NE 3.72Å; D331-R360 PolarHBondContact OD1-NE 2.81Å; D331-R360 IonicContact OD1-NH2 3.8Å; D331-R360 PolarHBondContact OD1-NH2 3.33Å; D331-R360 VanDerWaalsContact OD1-NH2 3.11Å; D331-R360 IonicContact OD2-CZ 2.82Å; D331-R360 IonicContact OD2-NE 3.46Å; D331-R360 IonicContact OD2-NH2 2.66Å; D331-R360 PolarHBondContact OD2-NH2 3.28Å; A334-R360 HydrophobicContact CB-CG 3.8Å; N347-R360 WeakPolarHBondContact OD1-CD 3.22Å; D349-R360 PolarHBondContact O-NH1 3.47Å; N356-R360 WeakPolarHBondContact O-CG 3.41Å; N356-R360 PolarHBondContact O-N 3.07Å; Y357-R360 PolarHBondContact O-N 3.33Å; Y357-R360 VanDerWaalsContact O-N 3.16Å |
| 361 | I | 85.1 | Confident | 75.1 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.3 | -29.5 | -172.3 | 70.3 | 167 | 0 | 0 | 0 | 112.7 | L244 I247 Q249 V345 Y357 R363 G364 A373 | L244-I361 HydrophobicContact CD1-CD1 4.24Å; L244-I361 HydrophobicContact CD1-CG1 3.85Å; I247-I361 HydrophobicContact CD1-CG1 4.47Å; I247-I361 WeakPolarHBondContact CD1-O 3.11Å; Q249-I361 HydrophobicContact CG-CD1 4.12Å; V345-I361 HydrophobicContact CG1-CG2 4.48Å; Y357-I361 HydrophobicContact CD1-CD1 4.1Å; Y357-I361 HydrophobicContact CE1-CD1 3.58Å; Y357-I361 HydrophobicContact CE1-CG1 4.4Å; Y357-I361 HydrophobicContact CE1-CG2 4.44Å; Y357-I361 HydrophobicContact CE2-CG2 4.25Å; Y357-I361 WeakPolarHBondContact O-CG1 3.3Å; Y357-I361 PolarHBondContact O-N 3.3Å; I361-R363 PolarHBondContact O-N 3.13Å; I361-G364 PolarHBondContact O-N 3.49Å; I361-G364 VanDerWaalsContact O-N 3.07Å; I361-A373 HydrophobicContact CB-CB 3.85Å; I361-A373 HydrophobicContact CG2-CB 3.51Å |
| 362 | G | 74.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 6.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | L244 I358 | L244-G362 VanDerWaalsContact CD1-CA 3.41Å; I358-G362 WeakPolarHBondContact O-CA 2.95Å; I358-G362 PolarHBondContact O-N 3.05Å |
| 363 | R | 65.9 | Low | 75.1 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -34.6 | 168.7 | -56.1 | -65.8 | 148.4 | -165.6 | -10 | 111.8 | A334 I337 V342 V345 I361 | A334-R363 PolarHBondContact O-NE 2.97Å; A334-R363 PolarHBondContact O-NH2 2.86Å; I337-R363 VanDerWaalsContact N-NH1 3.1Å; I337-R363 PolarHBondContact O-NH1 3.49Å; V342-R363 HydrophobicContact CB-CB 4.37Å; V342-R363 HydrophobicContact CG1-CB 4.21Å; V345-R363 HydrophobicContact CG2-CB 4.19Å; I361-R363 PolarHBondContact O-N 3.13Å |
| 364 | G | 56.3 | Low | 75.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.2 | -175 | 0 | 0 | 0 | 0 | 0 | 116 | V342 I361 K370 G371 | V342-G364 WeakPolarHBondContact O-CA 3.32Å; I361-G364 PolarHBondContact O-N 3.49Å; I361-G364 VanDerWaalsContact O-N 3.07Å; G364-K370 CarbonylContact O-C 3.56Å; G364-G371 WeakPolarHBondContact O-CA 3.41Å; G364-G371 PolarHBondContact O-N 3.17Å |
| 365 | G | 52.9 | Low | 76.1 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 11.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | F367 R369 | G365-F367 PolarHBondContact O-N 2.87Å; G365-R369 WeakPolarHBondContact CA-O 3.17Å |
| 366 | R | 58.9 | Low | 76.9 | Confident | 22 Ų | 22 | 28.3 Ų | 28.3 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -68.8 | 132.9 | -170.5 | -70.4 | -175.9 | 169.5 | -150.9 | -11.7 | 111.5 | D338 G368 R369 | D338-R366 VanDerWaalsContact CA-NH1 3.31Å; D338-R366 IonicContact OD1-CZ 3.87Å; D338-R366 IonicContact OD1-NH1 3.26Å; D338-R366 PolarHBondContact OD1-NH1 2.79Å; R366-G368 PolarHBondContact O-N 3.29Å; R366-R369 WeakPolarHBondContact O-CB 3.26Å; R366-R369 WeakPolarHBondContact O-CG 3.28Å; R366-R369 PolarHBondContact O-N 2.96Å |
| 367 | F | 54 | Low | 77.5 | Confident | 143 Ų | 143 | 27.8 Ų | 27.8 | 63% | 0.627 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | 58.8 | 39.1 | 177.9 | -54.5 | -78.5 | 0 | 0 | 0 | 114.5 | G365 R369 | G365-F367 PolarHBondContact O-N 2.87Å; F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 3.19Å |
| 368 | G | 57.1 | Low | 77.9 | Confident | 60 Ų | 60 | 28.3 Ų | 28.3 | 62% | 0.619 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | 77.3 | 7.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R366 | R366-G368 PolarHBondContact O-N 3.29Š|
| 369 | R | 65.4 | Low | 78.4 | Confident | 126 Ų | 126 | 32.3 Ų | 32.3 | 48% | 0.475 | 16% | 0.162 | S | C | . | . | trans | -67.7 | 143 | 171 | -68.5 | -176.1 | 179.8 | 179.7 | 0.5 | 109.8 | Q340 G365 R366 F367 | Q340-R369 PolarHBondContact O-NH1 2.83Å; G365-R369 WeakPolarHBondContact CA-O 3.17Å; R366-R369 WeakPolarHBondContact O-CB 3.26Å; R366-R369 WeakPolarHBondContact O-CG 3.28Å; R366-R369 PolarHBondContact O-N 2.96Å; F367-R369 VanDerWaalsContact C-N 3.26Å; F367-R369 PolarHBondContact O-N 3.19Å | ||
| 370 | K | 74 | Confident | 79 | Confident | 177 Ų | 177 | 40.3 Ų | 40.3 | 77% | 0.77 | 20% | 0.2 | S | C | * | . | trans | -75.5 | 130.9 | 171.7 | -65 | -178.7 | -178.1 | 177.1 | 0 | 108.7 | G246 G364 | G246-K370 WeakPolarHBondContact O-CA 3.36Å; G364-K370 CarbonylContact O-C 3.56Å | ||
| 371 | G | 81.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G246 I247 K248 G364 | G246-G371 PolarHBondContact O-N 3.37Å; I247-G371 CarbonylContact C-O 3.5Å; I247-G371 WeakPolarHBondContact CA-O 3.49Å; K248-G371 PolarHBondContact N-O 3.37Å; G364-G371 WeakPolarHBondContact O-CA 3.41Å; G364-G371 PolarHBondContact O-N 3.17Å |
| 372 | V | 88 | Confident | 79.7 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.3 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | K248 F250 S343 L344 V345 I374 I407 | K248-V372 HydrophobicContact CB-CG2 4.38Å; K248-V372 CarbonylContact O-C 3.57Å; K248-V372 WeakPolarHBondContact O-CA 3.22Å; F250-V372 HydrophobicContact CD2-CG1 3.71Å; F250-V372 HydrophobicContact CE2-CG1 3.9Å; S343-V372 PolarHBondContact O-N 3.48Å; L344-V372 WeakPolarHBondContact CA-O 3.5Å; L344-V372 HydrophobicContact CD1-CB 4.14Å; L344-V372 HydrophobicContact CD1-CG1 4.09Å; V345-V372 PolarHBondContact N-O 3.33Å; V372-I374 HydrophobicContact CG1-CG1 4.05Å; V372-I407 HydrophobicContact CB-CG1 4.12Å; V372-I407 HydrophobicContact CG1-CG1 4.35Å; V372-I407 HydrophobicContact CG2-CG1 3.73Å |
| 373 | A | 91.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I247 K248 Q249 F250 V345 I361 | I247-A373 HydrophobicContact CG2-CB 3.98Å; K248-A373 PolarHBondContact O-N 2.7Å; Q249-A373 HydrophobicContact CG-CB 4.42Å; F250-A373 PolarHBondContact N-O 3.06Å; V345-A373 CarbonylContact O-C 3.59Å; V345-A373 VanDerWaalsContact O-CA 3.29Å; V345-A373 WeakPolarHBondContact O-CA 3.43Å; I361-A373 HydrophobicContact CB-CB 3.85Å; I361-A373 HydrophobicContact CG2-CB 3.51Å |
| 374 | I | 94.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.5 | 178.2 | -57.3 | 178.9 | 0 | 0 | 0 | 108.8 | F250 I252 L267 L271 L344 V345 I346 N347 V372 F376 M399 | F250-I374 CarbonylContact O-C 3.57Å; F250-I374 WeakPolarHBondContact O-CA 3.45Å; I252-I374 HydrophobicContact CD1-CG2 3.94Å; I252-I374 HydrophobicContact CG1-CG2 3.97Å; L267-I374 HydrophobicContact CD1-CD1 4.15Å; L267-I374 HydrophobicContact CD1-CG2 4.26Å; L267-I374 HydrophobicContact CD2-CD1 4.39Å; L271-I374 HydrophobicContact CD1-CD1 4.28Å; L344-I374 HydrophobicContact CD1-CD1 3.77Å; L344-I374 HydrophobicContact CD1-CG1 3.94Å; V345-I374 PolarHBondContact O-N 3.5Å; I346-I374 CarbonylContact C-O 3.58Å; I346-I374 WeakPolarHBondContact CA-O 3.31Å; N347-I374 PolarHBondContact N-O 3Å; V372-I374 HydrophobicContact CG1-CG1 4.05Å; I374-F376 HydrophobicContact CG2-CD1 4.28Å; I374-F376 HydrophobicContact CG2-CE1 4.06Å; I374-M399 HydrophobicContact CD1-SD 3.99Å; I374-M399 HydrophobicContact CG2-SD 4.41Å |
| 375 | N | 96.8 | Very high | 83.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.4 | -177.8 | -58 | -76.4 | 0 | 0 | 0 | 110.2 | F250 Y251 I252 N347 L350 Y357 V377 | F250-N375 PolarHBondContact O-N 3.29Å; F250-N375 PolarHBondContact O-ND2 2.79Å; Y251-N375 CarbonylContact C-O 3.56Å; Y251-N375 WeakPolarHBondContact CA-O 3.32Å; I252-N375 PolarHBondContact N-O 3.37Å; N347-N375 WeakPolarHBondContact CB-OD1 3.46Å; N347-N375 PolarHBondContact ND2-OD1 3.31Å; L350-N375 HydrophobicContact CD2-CB 3.93Å; Y357-N375 WeakPolarHBondContact CE2-OD1 3.39Å; Y357-N375 PolarHBondContact OH-ND2 3.3Å; N375-V377 HydrophobicContact CB-CG2 4.34Å |
| 376 | F | 98 | Very high | 85.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.5 | 170.4 | -69.8 | -2.7 | 0 | 0 | 0 | 109.5 | I252 V254 K260 T263 L264 L267 I346 N347 Y348 I374 | I252-F376 HydrophobicContact CB-CD1 4.26Å; I252-F376 HydrophobicContact CD1-CD1 4.37Å; I252-F376 HydrophobicContact CD1-CE1 3.84Å; I252-F376 HydrophobicContact CG1-CE1 4.49Å; V254-F376 HydrophobicContact CG1-CB 4.37Å; V254-F376 HydrophobicContact CG1-CG 4.3Å; K260-F376 HydrophobicContact CB-CD2 3.82Å; K260-F376 HydrophobicContact CB-CE2 4.3Å; K260-F376 HydrophobicContact CD-CB 4.11Å; K260-F376 HydrophobicContact CD-CD2 4.21Å; K260-F376 HydrophobicContact CG-CB 4.13Å; K260-F376 HydrophobicContact CG-CD2 3.85Å; K260-F376 HydrophobicContact CG-CG 4.42Å; K260-F376 VanDerWaalsContact O-CE2 3.26Å; K260-F376 WeakPolarHBondContact O-CE2 3.34Å; T263-F376 HydrophobicContact CG2-CE1 3.86Å; T263-F376 HydrophobicContact CG2-CE2 4.44Å; T263-F376 HydrophobicContact CG2-CZ 3.78Å; L264-F376 HydrophobicContact CB-CE2 3.95Å; L264-F376 HydrophobicContact CB-CZ 4.15Å; L264-F376 HydrophobicContact CD1-CE2 4.3Å; L264-F376 HydrophobicContact CD1-CZ 4.17Å; L267-F376 HydrophobicContact CD1-CE1 3.67Å; L267-F376 HydrophobicContact CD1-CZ 3.77Å; I346-F376 HydrophobicContact CG2-CE1 4.31Å; I346-F376 HydrophobicContact CG2-CZ 4.25Å; N347-F376 PolarHBondContact O-N 2.68Å; Y348-F376 AromaticContact CD2-CD2 3.91Å; Y348-F376 HydrophobicContact CD2-CD2 3.91Å; Y348-F376 AromaticContact CD2-CE2 3.89Å; Y348-F376 HydrophobicContact CD2-CE2 3.89Å; Y348-F376 HydrophobicContact CE2-CD2 4.28Å; Y348-F376 HydrophobicContact CE2-CE2 4.15Å; Y348-F376 HydrophobicContact CG-CD2 4.28Å; I374-F376 HydrophobicContact CG2-CD1 4.28Å; I374-F376 HydrophobicContact CG2-CE1 4.06Å |
| 377 | V | 97.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.2 | -171.9 | -180 | 0 | 0 | 0 | 0 | 108.7 | Y251 I252 N253 V254 L350 N375 D381 K382 L385 | Y251-V377 HydrophobicContact CG-CG2 4.48Å; I252-V377 PolarHBondContact O-N 3.1Å; N253-V377 CarbonylContact C-O 3.58Å; N253-V377 WeakPolarHBondContact CA-O 3.32Å; N253-V377 PolarHBondContact OD1-O 3.25Å; V254-V377 VanDerWaalsContact CG2-O 3.29Å; V254-V377 WeakPolarHBondContact CG2-O 3.38Å; V254-V377 PolarHBondContact N-O 3.19Å; L350-V377 HydrophobicContact CD1-CG2 4.45Å; N375-V377 HydrophobicContact CB-CG2 4.34Å; V377-D381 HydrophobicContact CB-CB 4.43Å; V377-D381 HydrophobicContact CG1-CB 3.83Å; V377-K382 HydrophobicContact CG1-CG 3.99Å; V377-L385 HydrophobicContact CG2-CD2 3.99Å |
| 378 | T | 96.3 | Very high | 88.9 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 173.3 | 165.6 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | V254 E380 D381 K382 | V254-T378 HydrophobicContact CG2-CG2 3.97Å; T378-E380 PolarHBondContact O-N 3.38Å; T378-E380 PolarHBondContact OG1-N 2.57Å; T378-D381 WeakPolarHBondContact CB-OD2 3.5Å; T378-D381 WeakPolarHBondContact CG2-OD2 3.46Å; T378-D381 PolarHBondContact N-OD2 3Å; T378-D381 WeakPolarHBondContact O-CB 3.44Å; T378-D381 PolarHBondContact O-N 3.03Å; T378-D381 VanDerWaalsContact O-N 3.12Å; T378-D381 PolarHBondContact OG1-N 3.42Å; T378-D381 PolarHBondContact OG1-OD2 3.03Å; T378-K382 PolarHBondContact O-N 2.86Å |
| 379 | E | 92.7 | Very high | 90.5 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.1 | 173.4 | -72.4 | -59.2 | 137.5 | 0 | 0 | 113.3 | E255 K382 | E255-E379 PolarHBondContact O-N 3.23Å; E379-K382 VanDerWaalsContact OE1-CE 3.3Å; E379-K382 WeakPolarHBondContact OE1-CE 3.3Å; E379-K382 IonicContact OE1-NZ 3.37Å; E379-K382 PolarHBondContact OE1-NZ 3.01Å; E379-K382 WeakPolarHBondContact OE2-CE 3.46Å; E379-K382 IonicContact OE2-NZ 2.72Å; E379-K382 PolarHBondContact OE2-NZ 3.21Å |
| 380 | E | 91.6 | Very high | 91.6 | Very high | 171 Ų | 171 | 59.3 Ų | 59.3 | 80% | 0.799 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -32.6 | 178.4 | -60.7 | -175.2 | 174.6 | 0 | 0 | 111.9 | T378 K382 | T378-E380 PolarHBondContact O-N 3.38Å; T378-E380 PolarHBondContact OG1-N 2.57Å; E380-K382 VanDerWaalsContact C-N 3.32Å; E380-K382 PolarHBondContact O-N 3.16Å |
| 381 | D | 94.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -19.2 | -177.3 | -70.3 | -41.8 | 0 | 0 | 0 | 113.3 | K260 L350 V377 T378 R383 I384 L385 | K260-D381 IonicContact NZ-OD2 2.63Å; L350-D381 HydrophobicContact CD1-CB 3.77Å; L350-D381 HydrophobicContact CG-CB 4.46Å; V377-D381 HydrophobicContact CB-CB 4.43Å; V377-D381 HydrophobicContact CG1-CB 3.83Å; T378-D381 WeakPolarHBondContact CB-OD2 3.5Å; T378-D381 WeakPolarHBondContact CG2-OD2 3.46Å; T378-D381 PolarHBondContact N-OD2 3Å; T378-D381 WeakPolarHBondContact O-CB 3.44Å; T378-D381 PolarHBondContact O-N 3.03Å; T378-D381 VanDerWaalsContact O-N 3.12Å; T378-D381 PolarHBondContact OG1-N 3.42Å; T378-D381 PolarHBondContact OG1-OD2 3.03Å; D381-R383 PolarHBondContact O-N 3.22Å; D381-R383 VanDerWaalsContact O-N 3.09Å; D381-I384 WeakPolarHBondContact O-CA 3.27Å; D381-I384 WeakPolarHBondContact O-CB 3.44Å; D381-I384 PolarHBondContact O-N 3.17Å; D381-L385 PolarHBondContact O-N 2.92Å |
| 382 | K | 92.2 | Very high | 92.2 | Very high | 69 Ų | 69 | 55 Ų | 55 | 30% | 0.3 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54 | -34.2 | -178.1 | -72.7 | -178.1 | 178.5 | 171.1 | 0 | 113.3 | V377 T378 E379 E380 R386 | V377-K382 HydrophobicContact CG1-CG 3.99Å; T378-K382 PolarHBondContact O-N 2.86Å; E379-K382 VanDerWaalsContact OE1-CE 3.3Å; E379-K382 WeakPolarHBondContact OE1-CE 3.3Å; E379-K382 IonicContact OE1-NZ 3.37Å; E379-K382 PolarHBondContact OE1-NZ 3.01Å; E379-K382 WeakPolarHBondContact OE2-CE 3.46Å; E379-K382 IonicContact OE2-NZ 2.72Å; E379-K382 PolarHBondContact OE2-NZ 3.21Å; E380-K382 VanDerWaalsContact C-N 3.32Å; E380-K382 PolarHBondContact O-N 3.16Å; K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 3.13Å |
| 383 | R | 92.2 | Very high | 92.1 | Very high | 212 Ų | 212 | 60.7 Ų | 60.7 | 80% | 0.8 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -70.5 | -38.7 | 177 | -67.5 | -175.5 | -179 | -175.3 | 1.4 | 111.9 | D381 D387 | D381-R383 PolarHBondContact O-N 3.22Å; D381-R383 VanDerWaalsContact O-N 3.09Å; R383-D387 PolarHBondContact O-N 2.85Å; R383-D387 VanDerWaalsContact O-N 3.13Å |
| 384 | I | 93 | Very high | 91.8 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 35% | 0.349 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.4 | -44.3 | 179.9 | -58.9 | 173.8 | 0 | 0 | 0 | 109.7 | L350 D381 R386 D387 I388 | L350-I384 HydrophobicContact CB-CG2 4.12Å; L350-I384 HydrophobicContact CD1-CB 3.96Å; L350-I384 HydrophobicContact CD1-CG2 3.95Å; D381-I384 WeakPolarHBondContact O-CA 3.27Å; D381-I384 WeakPolarHBondContact O-CB 3.44Å; D381-I384 PolarHBondContact O-N 3.17Å; I384-R386 PolarHBondContact O-N 3.25Å; I384-D387 PolarHBondContact O-N 3.48Å; I384-I388 HydrophobicContact CG2-CD1 4.16Å; I384-I388 WeakPolarHBondContact O-CG1 3.46Å; I384-I388 PolarHBondContact O-N 3.36Å |
| 385 | L | 94.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 177.2 | -176.5 | 64 | 0 | 0 | 0 | 111.8 | Y251 L350 V377 D381 D387 I388 E389 V396 | Y251-L385 HydrophobicContact CD1-CD2 3.97Å; Y251-L385 HydrophobicContact CG-CD2 4Å; L350-L385 HydrophobicContact CD1-CB 3.99Å; V377-L385 HydrophobicContact CG2-CD2 3.99Å; D381-L385 PolarHBondContact O-N 2.92Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.24Å; L385-I388 WeakPolarHBondContact O-CB 3.49Å; L385-I388 PolarHBondContact O-N 2.91Å; L385-I388 VanDerWaalsContact O-N 3.14Å; L385-E389 PolarHBondContact O-N 3.49Å; L385-V396 HydrophobicContact CD1-CB 4.11Å; L385-V396 HydrophobicContact CD1-CG1 4.15Å; L385-V396 HydrophobicContact CD1-CG2 3.99Å |
| 386 | R | 92.6 | Very high | 91.2 | Very high | 167 Ų | 167 | 66.5 Ų | 66.5 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.8 | -36.5 | 177.6 | -73.2 | 178.4 | -174.4 | 171.1 | 2.9 | 113.2 | K382 I384 I388 T390 | K382-R386 WeakPolarHBondContact O-CG 3.28Å; K382-R386 PolarHBondContact O-N 3.13Å; I384-R386 PolarHBondContact O-N 3.25Å; R386-I388 VanDerWaalsContact C-N 3.34Å; R386-T390 WeakPolarHBondContact O-CB 3.3Å; R386-T390 PolarHBondContact O-N 2.95Å; R386-T390 PolarHBondContact O-OG1 3.37Å |
| 387 | D | 91.9 | Very high | 91 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.4 | -177.1 | 49.8 | 0 | 0 | 0 | 110.9 | R354 R383 I384 L385 F391 | R354-D387 WeakPolarHBondContact CD-OD2 3.46Å; R354-D387 IonicContact NH1-OD1 2.76Å; R354-D387 PolarHBondContact NH1-OD1 3.01Å; R354-D387 VanDerWaalsContact NH1-OD1 3.12Å; R354-D387 IonicContact NH1-OD2 3.67Å; R354-D387 PolarHBondContact NH1-OD2 2.82Å; R383-D387 PolarHBondContact O-N 2.85Å; R383-D387 VanDerWaalsContact O-N 3.13Å; I384-D387 PolarHBondContact O-N 3.48Å; L385-D387 VanDerWaalsContact C-N 3.32Å; L385-D387 PolarHBondContact O-N 3.24Å; D387-F391 WeakPolarHBondContact O-CB 3.14Å; D387-F391 PolarHBondContact O-N 3.23Å |
| 388 | I | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62 | -50.5 | 174.6 | -67.9 | 166.2 | 0 | 0 | 0 | 111 | P351 R354 Y357 I384 L385 R386 T390 F391 Y392 | P351-I388 HydrophobicContact CG-CD1 4.09Å; R354-I388 HydrophobicContact CB-CG1 4.15Å; Y357-I388 HydrophobicContact CD1-CG2 3.38Å; Y357-I388 HydrophobicContact CD2-CD1 3.81Å; Y357-I388 HydrophobicContact CD2-CG2 3.92Å; Y357-I388 HydrophobicContact CE1-CG2 3.65Å; Y357-I388 HydrophobicContact CE2-CD1 4.38Å; Y357-I388 HydrophobicContact CE2-CG2 4.13Å; Y357-I388 HydrophobicContact CG-CD1 4.16Å; Y357-I388 HydrophobicContact CG-CG2 3.52Å; I384-I388 HydrophobicContact CG2-CD1 4.16Å; I384-I388 WeakPolarHBondContact O-CG1 3.46Å; I384-I388 PolarHBondContact O-N 3.36Å; L385-I388 WeakPolarHBondContact O-CB 3.49Å; L385-I388 PolarHBondContact O-N 2.91Å; L385-I388 VanDerWaalsContact O-N 3.14Å; R386-I388 VanDerWaalsContact C-N 3.34Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.08Å; I388-F391 PolarHBondContact O-N 3.09Å; I388-Y392 HydrophobicContact CG2-CD2 3.96Å; I388-Y392 HydrophobicContact CG2-CE2 4.31Å; I388-Y392 WeakPolarHBondContact O-CD2 3.47Å; I388-Y392 PolarHBondContact O-N 3.45Å |
| 389 | E | 90.8 | Very high | 90.7 | Very high | 48 Ų | 48 | 79.6 Ų | 79.6 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.9 | -47.6 | 178 | -74.1 | -174.5 | 115.3 | 0 | 0 | 111.8 | L385 N393 T394 V396 | L385-E389 PolarHBondContact O-N 3.49Å; E389-N393 VanDerWaalsContact O-CA 3.26Å; E389-N393 WeakPolarHBondContact O-CA 3.36Å; E389-N393 PolarHBondContact O-N 3.43Å; E389-T394 WeakPolarHBondContact CB-O 3.22Å; E389-T394 PolarHBondContact O-N 3Å; E389-V396 HydrophobicContact CG-CB 4.31Å; E389-V396 HydrophobicContact CG-CG2 3.91Å; E389-V396 PolarHBondContact OE1-N 2.96Å |
| 390 | T | 89.9 | Confident | 90.5 | Very high | 113 Ų | 113 | 77 Ų | 77 | 69% | 0.693 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.7 | -42.7 | -179.9 | -55 | 0 | 0 | 0 | 0 | 111.5 | R386 I388 | R386-T390 WeakPolarHBondContact O-CB 3.3Å; R386-T390 PolarHBondContact O-N 2.95Å; R386-T390 PolarHBondContact O-OG1 3.37Å; I388-T390 VanDerWaalsContact C-N 3.35Å; I388-T390 PolarHBondContact O-N 3.08Å |
| 391 | F | 85.5 | Confident | 90.1 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | -176 | -178.8 | -94.6 | 0 | 0 | 0 | 112.7 | R354 D387 I388 | R354-F391 HydrophobicContact CG-CD1 4.35Å; R354-F391 HydrophobicContact CG-CG 4.35Å; D387-F391 WeakPolarHBondContact O-CB 3.14Å; D387-F391 PolarHBondContact O-N 3.23Å; I388-F391 PolarHBondContact O-N 3.09Å |
| 392 | Y | 83.2 | Confident | 89.4 | Confident | 4 Ų | 4 | 81.2 Ų | 81.2 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -94.1 | -2.4 | 179.5 | -67.2 | -68.3 | 0 | 0 | 0 | 113.9 | L242 T243 R354 E355 Y357 I358 I388 T394 | L242-Y392 HydrophobicContact CB-CD1 4.46Å; T243-Y392 WeakPolarHBondContact CG2-O 3.36Å; R354-Y392 VanDerWaalsContact O-CE2 3.3Å; R354-Y392 WeakPolarHBondContact O-CE2 3.37Å; R354-Y392 PolarHBondContact O-OH 2.94Å; E355-Y392 WeakPolarHBondContact CA-OH 3.32Å; E355-Y392 PolarHBondContact O-OH 3.33Å; Y357-Y392 HydrophobicContact CD1-CD2 4.38Å; Y357-Y392 HydrophobicContact CD1-CE2 4.34Å; I358-Y392 HydrophobicContact CB-CE1 4.45Å; I358-Y392 HydrophobicContact CD1-CE1 4.13Å; I358-Y392 HydrophobicContact CG1-CE1 4.28Å; I358-Y392 HydrophobicContact CG2-CD1 3.77Å; I358-Y392 HydrophobicContact CG2-CD2 4.28Å; I358-Y392 HydrophobicContact CG2-CE1 3.39Å; I358-Y392 HydrophobicContact CG2-CE2 3.96Å; I358-Y392 HydrophobicContact CG2-CG 4.19Å; I358-Y392 VanDerWaalsContact CG2-CZ 3.48Å; I388-Y392 HydrophobicContact CG2-CD2 3.96Å; I388-Y392 HydrophobicContact CG2-CE2 4.31Å; I388-Y392 WeakPolarHBondContact O-CD2 3.47Å; I388-Y392 PolarHBondContact O-N 3.45Å; Y392-T394 VanDerWaalsContact C-N 3.25Å; Y392-T394 PolarHBondContact O-N 3.17Å |
| 393 | N | 84.6 | Confident | 88.6 | Confident | 125 Ų | 125 | 78.2 Ų | 78.2 | 67% | 0.668 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 47 | -172.6 | -168 | 46.5 | 0 | 0 | 0 | 111.9 | E389 | E389-N393 VanDerWaalsContact O-CA 3.26Å; E389-N393 WeakPolarHBondContact O-CA 3.36Å; E389-N393 PolarHBondContact O-N 3.43Å |
| 394 | T | 85.2 | Confident | 87.7 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 13% | 0.129 | 36% | 0.364 | C | S | . | . | trans | -117.6 | 160.6 | 179.9 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | Q249 E389 Y392 | Q249-T394 PolarHBondContact NE2-OG1 3.42Å; E389-T394 WeakPolarHBondContact CB-O 3.22Å; E389-T394 PolarHBondContact O-N 3Å; Y392-T394 VanDerWaalsContact C-N 3.25Å; Y392-T394 PolarHBondContact O-N 3.17Å | ||
| 395 | T | 87.2 | Confident | 86.8 | Confident | 98 Ų | 98 | 73.2 Ų | 73.2 | 60% | 0.601 | 38% | 0.379 | S | S | * | . | trans | -108.3 | 132.1 | 170.7 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | E397 | T395-E397 HydrophobicContact CG2-CG 4.13Š| ||
| 396 | V | 92.6 | Very high | 85.5 | Confident | 4 Ų | 4 | 75 Ų | 75 | 2% | 0.024 | 39% | 0.388 | C | S | . | . | trans | -111.2 | 106.6 | 169.8 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | Q249 F250 Y251 L385 E389 | Q249-V396 HydrophobicContact CB-CB 4.49Å; Q249-V396 HydrophobicContact CB-CG1 4.28Å; Q249-V396 HydrophobicContact CB-CG2 4.12Å; F250-V396 VanDerWaalsContact C-CG1 3.47Å; Y251-V396 HydrophobicContact CD1-CG1 4.15Å; Y251-V396 WeakPolarHBondContact CD1-O 3.38Å; Y251-V396 WeakPolarHBondContact CE1-O 3.44Å; L385-V396 HydrophobicContact CD1-CB 4.11Å; L385-V396 HydrophobicContact CD1-CG1 4.15Å; L385-V396 HydrophobicContact CD1-CG2 3.99Å; E389-V396 HydrophobicContact CG-CB 4.31Å; E389-V396 HydrophobicContact CG-CG2 3.91Å; E389-V396 PolarHBondContact OE1-N 2.96Å | ||
| 397 | E | 93 | Very high | 84.2 | Confident | 118 Ų | 118 | 71 Ų | 71 | 55% | 0.551 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 152.7 | -173.9 | -64.2 | -179.1 | 168.8 | 0 | 0 | 111.4 | Q249 F250 Y251 T395 M399 | Q249-E397 PolarHBondContact O-N 3.09Å; F250-E397 CarbonylContact C-O 3.53Å; F250-E397 WeakPolarHBondContact CA-O 3.42Å; F250-E397 HydrophobicContact CD1-CB 4.03Å; F250-E397 HydrophobicContact CE1-CB 4.25Å; Y251-E397 WeakPolarHBondContact CD1-O 3.29Å; Y251-E397 PolarHBondContact N-O 3.33Å; T395-E397 HydrophobicContact CG2-CG 4.13Å; E397-M399 PolarHBondContact O-N 3.36Å |
| 398 | E | 94.3 | Very high | 83.8 | Confident | 126 Ų | 126 | 71.1 Ų | 71.1 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 133.7 | 168 | -168 | 164.1 | -169.8 | 0 | 0 | 109.2 | Y251 P400 | Y251-E398 HydrophobicContact CE1-CB 3.9Å; Y251-E398 HydrophobicContact CE2-CB 4.15Å; Y251-E398 HydrophobicContact CE2-CG 3.92Å; Y251-E398 PolarHBondContact OH-OE2 2.66Å; E398-P400 WeakPolarHBondContact O-CD 3.5Å |
| 399 | M | 92.3 | Very high | 83.4 | Confident | 45 Ų | 45 | 74.8 Ų | 74.8 | 22% | 0.222 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 122.5 | -175.1 | -168.5 | -176.6 | 75 | 0 | 0 | 110.5 | F250 Y251 I252 L267 I374 E397 V403 | F250-M399 HydrophobicContact CB-CB 3.98Å; F250-M399 HydrophobicContact CB-CG 4.18Å; F250-M399 HydrophobicContact CG-CB 4.47Å; F250-M399 HydrophobicContact CG-CG 4.35Å; Y251-M399 WeakPolarHBondContact O-CB 3.44Å; Y251-M399 PolarHBondContact O-N 2.99Å; I252-M399 HydrophobicContact CD1-CE 3.4Å; I252-M399 HydrophobicContact CD1-SD 3.57Å; I252-M399 VanDerWaalsContact CD1-SD 3.57Å; I252-M399 HydrophobicContact CG1-CB 3.89Å; I252-M399 HydrophobicContact CG1-CE 3.87Å; I252-M399 HydrophobicContact CG1-SD 3.83Å; L267-M399 HydrophobicContact CD2-CE 3.79Å; L267-M399 HydrophobicContact CD2-SD 3.88Å; I374-M399 HydrophobicContact CD1-SD 3.99Å; I374-M399 HydrophobicContact CG2-SD 4.41Å; E397-M399 PolarHBondContact O-N 3.36Å; M399-V403 HydrophobicContact CE-CG1 4.04Å; M399-V403 HydrophobicContact CG-CB 3.86Å; M399-V403 HydrophobicContact CG-CG1 4.27Å; M399-V403 HydrophobicContact CG-CG2 3.88Å; M399-V403 HydrophobicContact SD-CB 4.01Å; M399-V403 HydrophobicContact SD-CG1 3.83Å; M399-V403 HydrophobicContact SD-CG2 3.92Å |
| 400 | P | 89.2 | Confident | 83 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 155.1 | 178.3 | 32.8 | -36.8 | 0 | 0 | 0 | 110.6 | F250 E398 N402 V403 L406 | F250-P400 HydrophobicContact CE1-CG 4.4Å; E398-P400 WeakPolarHBondContact O-CD 3.5Å; P400-N402 WeakPolarHBondContact CB-OD1 3.35Å; P400-N402 PolarHBondContact O-N 2.69Å; P400-N402 VanDerWaalsContact O-N 3.13Å; P400-V403 PolarHBondContact O-N 2.77Å; P400-L406 HydrophobicContact CG-CD1 3.59Å |
| 401 | M | 82.7 | Confident | 82.6 | Confident | 201 Ų | 201 | 74.2 Ų | 74.2 | 99% | 0.99 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.7 | 178.3 | -70.8 | -178.7 | 64.2 | 0 | 0 | 113.3 | ||
| 402 | N | 80.5 | Confident | 82.4 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 32.5 | -179 | 72.9 | -43.1 | 0 | 0 | 0 | 113.1 | P400 A404 D405 | P400-N402 WeakPolarHBondContact CB-OD1 3.35Å; P400-N402 PolarHBondContact O-N 2.69Å; P400-N402 VanDerWaalsContact O-N 3.13Å; N402-A404 PolarHBondContact O-N 3.44Å; N402-D405 PolarHBondContact ND2-OD2 3.5Å; N402-D405 VanDerWaalsContact ND2-OD2 3.15Å; N402-D405 WeakPolarHBondContact O-CB 3.3Å; N402-D405 PolarHBondContact O-N 2.94Å |
| 403 | V | 74.9 | Confident | 82.4 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 4% | 0.036 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -54.6 | -25.7 | 179.7 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | L271 M399 P400 D405 L406 | L271-V403 HydrophobicContact CD2-CG1 3.81Å; M399-V403 HydrophobicContact CE-CG1 4.04Å; M399-V403 HydrophobicContact CG-CB 3.86Å; M399-V403 HydrophobicContact CG-CG1 4.27Å; M399-V403 HydrophobicContact CG-CG2 3.88Å; M399-V403 HydrophobicContact SD-CB 4.01Å; M399-V403 HydrophobicContact SD-CG1 3.83Å; M399-V403 HydrophobicContact SD-CG2 3.92Å; P400-V403 PolarHBondContact O-N 2.77Å; V403-D405 PolarHBondContact O-N 3.36Å; V403-L406 WeakPolarHBondContact O-CB 3.37Å; V403-L406 PolarHBondContact O-N 3.02Å |
| 404 | A | 74.2 | Confident | 82.2 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -58.8 | -26.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | L271 N402 L406 | L271-A404 HydrophobicContact CD2-CB 4.11Å; N402-A404 PolarHBondContact O-N 3.44Å; A404-L406 VanDerWaalsContact C-N 3.27Å; A404-L406 PolarHBondContact O-N 3.18Å |
| 405 | D | 72.7 | Confident | 82 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 66% | 0.663 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -79.9 | -10.6 | 177.3 | -59 | -30.3 | 0 | 0 | 0 | 112.8 | N402 V403 | N402-D405 PolarHBondContact ND2-OD2 3.5Å; N402-D405 VanDerWaalsContact ND2-OD2 3.15Å; N402-D405 WeakPolarHBondContact O-CB 3.3Å; N402-D405 PolarHBondContact O-N 2.94Å; V403-D405 PolarHBondContact O-N 3.36Å |
| 406 | L | 67.6 | Low | 81.6 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 25% | 0.251 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -13.3 | -171.9 | -58.9 | 168.3 | 0 | 0 | 0 | 113.3 | K248 F250 P400 V403 A404 | K248-L406 HydrophobicContact CD-CB 4.31Å; K248-L406 HydrophobicContact CD-CD2 4.45Å; F250-L406 HydrophobicContact CE1-CD1 4.27Å; F250-L406 HydrophobicContact CE2-CD1 3.99Å; F250-L406 HydrophobicContact CZ-CD1 3.49Å; F250-L406 VanDerWaalsContact CZ-CD1 3.49Å; P400-L406 HydrophobicContact CG-CD1 3.59Å; V403-L406 WeakPolarHBondContact O-CB 3.37Å; V403-L406 PolarHBondContact O-N 3.02Å; A404-L406 VanDerWaalsContact C-N 3.27Å; A404-L406 PolarHBondContact O-N 3.18Å |
| 407 | I | 65.1 | Low | 80.6 | Confident | 84 Ų | 84 | 84.2 Ų | 84.2 | 43% | 0.431 | 44% | 0.442 | S | S | . | . | trans | -104.1 | 0 | 178.2 | -57.2 | -179.6 | 0 | 0 | 0 | 108.5 | L271 L344 V372 | L271-I407 HydrophobicContact CB-CD1 4.49Å; L271-I407 HydrophobicContact CD1-CD1 3.58Å; L271-I407 HydrophobicContact CD2-CD1 3.64Å; L271-I407 HydrophobicContact CG-CD1 4.09Å; L344-I407 HydrophobicContact CD1-CD1 4.2Å; L344-I407 HydrophobicContact CD2-CD1 4.49Å; V372-I407 HydrophobicContact CB-CG1 4.12Å; V372-I407 HydrophobicContact CG1-CG1 4.35Å; V372-I407 HydrophobicContact CG2-CG1 3.73Å |
Retrieved 407 of 407 residues in 87.3 ms
(Link to these results)