| 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 | 38.2 | Very low | 40.8 | Very low | 243 Ų | 243 | 176 Ų | 176 | 100% | 1.197 | 85% | 0.848 | S | S | * | * | 0 | 64.3 | 0 | -156.9 | -173.1 | -81.5 | 0 | 0 | 109 | |||||
| 2 | F | 37.1 | Very low | 41.7 | Very low | 209 Ų | 209 | 168.7 Ų | 168.7 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | -102.4 | 108.2 | -178.6 | -102.8 | -91.9 | 0 | 0 | 0 | 108.7 | L4 | F2-L4 PolarHBondContact O-N 2.99Š| ||
| 3 | A | 36.4 | Very low | 42.6 | Very low | 101 Ų | 101 | 157.5 Ų | 157.5 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -78.1 | 114.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | R5 | A3-R5 PolarHBondContact O-N 3.36Š| ||
| 4 | L | 39.2 | Very low | 43.3 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | -66.5 | 117.3 | 163.2 | -93 | 97.4 | 0 | 0 | 0 | 109.2 | F2 L6 | F2-L4 PolarHBondContact O-N 2.99Å; L4-L6 PolarHBondContact O-N 3.18Å | ||
| 5 | R | 38.8 | Very low | 45.1 | Very low | 233 Ų | 233 | 156.3 Ų | 156.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | -68.5 | 110.9 | 164.4 | -86 | -178.4 | 172.7 | -165.1 | -1.7 | 109.2 | A3 Y7 | A3-R5 PolarHBondContact O-N 3.36Å; R5-Y7 PolarHBondContact O-N 2.7Å; R5-Y7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | L | 38.1 | Very low | 47 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 93% | 0.927 | 72% | 0.715 | S | S | * | * | trans | -62 | 104 | 162.2 | -79.6 | 155.5 | 0 | 0 | 0 | 109.2 | L4 S8 | L4-L6 PolarHBondContact O-N 3.18Å; L6-S8 PolarHBondContact O-N 2.57Å | ||
| 7 | Y | 39.8 | Very low | 48.8 | Very low | 218 Ų | 218 | 143.8 Ų | 143.8 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | trans | -69.3 | 116.8 | 166.1 | -111.1 | -93.7 | 0 | 0 | 0 | 108.9 | R5 R9 | R5-Y7 PolarHBondContact O-N 2.7Å; R5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-R9 PolarHBondContact O-N 3.04Å | ||
| 8 | S | 38.2 | Very low | 50.5 | Low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | trans | -54.1 | 122.6 | 176.5 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | L6 K10 | L6-S8 PolarHBondContact O-N 2.57Å; S8-K10 PolarHBondContact O-N 3.49Å; S8-K10 VanDerWaalsContact O-N 3.17Å | ||
| 9 | R | 47 | Very low | 52.2 | Low | 221 Ų | 221 | 132.3 Ų | 132.3 | 83% | 0.834 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -72.3 | 10.6 | 178.2 | -76.6 | -177.3 | 172.1 | -165.4 | -5.7 | 115.3 | Y7 | Y7-R9 PolarHBondContact O-N 3.04Š|
| 10 | K | 46.5 | Very low | 53.9 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | trans | -94.5 | 6.2 | -163.1 | -86.7 | -173 | 175 | -179 | 0 | 118.2 | S8 | S8-K10 PolarHBondContact O-N 3.49Å; S8-K10 VanDerWaalsContact O-N 3.17Å | ||
| 11 | T | 49.8 | Very low | 55.3 | Low | 109 Ų | 109 | 127 Ų | 127 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -120 | -12.4 | -159.9 | 23.6 | 0 | 0 | 0 | 0 | 119.5 | ||
| 12 | L | 51.3 | Low | 57.7 | Low | 88 Ų | 88 | 121.3 Ų | 121.3 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -76.1 | -46.7 | -170.3 | -139.3 | 84.3 | 0 | 0 | 0 | 114 | R14 S15 | L12-R14 PolarHBondContact O-N 2.68Å; L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.33Å |
| 13 | T | 53.3 | Low | 60.3 | Low | 23 Ų | 23 | 116 Ų | 116 | 14% | 0.141 | 59% | 0.594 | C | S | . | * | G | 310 helix | trans | -76.4 | -21.7 | -170.6 | 53.5 | 0 | 0 | 0 | 0 | 114.6 | S15 I16 K425 | T13-S15 PolarHBondContact O-N 3.34Å; T13-I16 HydrophobicContact CG2-CD1 4.38Å; T13-I16 PolarHBondContact O-N 2.8Å; T13-I16 VanDerWaalsContact O-N 3.17Å; T13-K425 VanDerWaalsContact CB-NZ 3.33Å; T13-K425 HydrophobicContact CG2-CD 3.76Å; T13-K425 PolarHBondContact OG1-NZ 2.74Å |
| 14 | R | 52.4 | Low | 62.9 | Low | 203 Ų | 203 | 111.7 Ų | 111.7 | 77% | 0.766 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -65.1 | -16.6 | 173.9 | -77.8 | -173.9 | 172.4 | -172.6 | -2.9 | 113.2 | L12 | L12-R14 PolarHBondContact O-N 2.68Š|
| 15 | S | 70.1 | Confident | 65.2 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -83.9 | -10.6 | 177.1 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | L12 T13 S17 | L12-S15 PolarHBondContact O-N 3.45Å; L12-S15 PolarHBondContact O-OG 3.33Å; T13-S15 PolarHBondContact O-N 3.34Å; S15-S17 PolarHBondContact O-N 3.06Å |
| 16 | I | 76.2 | Confident | 67.5 | Low | 18 Ų | 18 | 102.4 Ų | 102.4 | 9% | 0.092 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -79.9 | 114.5 | -176.6 | -57 | 175.9 | 0 | 0 | 0 | 108.8 | T13 G18 W19 L66 Y69 W71 | T13-I16 HydrophobicContact CG2-CD1 4.38Å; T13-I16 PolarHBondContact O-N 2.8Å; T13-I16 VanDerWaalsContact O-N 3.17Å; I16-G18 PolarHBondContact O-N 2.88Å; I16-W19 HydrophobicContact CB-CB 4.09Å; I16-W19 HydrophobicContact CG2-CB 4.42Å; I16-W19 VanDerWaalsContact O-CB 3.31Å; I16-W19 WeakPolarHBondContact O-CB 3.47Å; I16-W19 PolarHBondContact O-N 3.46Å; I16-L66 HydrophobicContact CG1-CD2 4.45Å; I16-L66 HydrophobicContact CG2-CD2 4.49Å; I16-Y69 HydrophobicContact CD1-CD2 4.18Å; I16-Y69 HydrophobicContact CD1-CE1 3.87Å; I16-Y69 HydrophobicContact CD1-CE2 3.47Å; I16-Y69 VanDerWaalsContact CD1-CE2 3.47Å; I16-Y69 VanDerWaalsContact CD1-OH 3.32Å; I16-Y69 WeakPolarHBondContact CD1-OH 3.3Å; I16-W71 HydrophobicContact CG2-CZ2 4.01Å |
| 17 | S | 78.1 | Confident | 69.9 | Low | 83 Ų | 83 | 97.1 Ų | 97.1 | 58% | 0.58 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 129.9 | 177.2 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | S15 W19 W71 | S15-S17 PolarHBondContact O-N 3.06Å; S17-W19 PolarHBondContact O-N 3.43Å; S17-W71 PolarHBondContact O-NE1 2.9Å |
| 18 | G | 78 | Confident | 72.1 | Confident | 38 Ų | 38 | 95.4 Ų | 95.4 | 39% | 0.392 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -3.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | I16 G75 C77 | I16-G18 PolarHBondContact O-N 2.88Å; G18-G75 WeakPolarHBondContact CA-O 3.5Å; G18-C77 VanDerWaalsContact O-CB 3.31Å; G18-C77 WeakPolarHBondContact O-CB 3.29Å; G18-C77 PolarHBondContact O-N 3.44Å |
| 19 | W | 84.5 | Confident | 74.7 | Confident | 31 Ų | 31 | 95.4 Ų | 95.4 | 12% | 0.117 | 48% | 0.481 | C | S | . | . | trans | -70.9 | 133.2 | 168.3 | -174.2 | -82.6 | 0 | 0 | 0 | 110.1 | I16 S17 D21 Y69 C77 M79 K425 I429 | I16-W19 HydrophobicContact CB-CB 4.09Å; I16-W19 HydrophobicContact CG2-CB 4.42Å; I16-W19 VanDerWaalsContact O-CB 3.31Å; I16-W19 WeakPolarHBondContact O-CB 3.47Å; I16-W19 PolarHBondContact O-N 3.46Å; S17-W19 PolarHBondContact O-N 3.43Å; W19-D21 PolarHBondContact NE1-OD1 2.78Å; W19-Y69 HydrophobicContact CE3-CD1 4.26Å; W19-Y69 AromaticContact CE3-CE1 3.81Å; W19-Y69 HydrophobicContact CE3-CE1 3.81Å; W19-Y69 HydrophobicContact CZ3-CD1 4.28Å; W19-Y69 AromaticContact CZ3-CE1 3.77Å; W19-Y69 HydrophobicContact CZ3-CE1 3.77Å; W19-C77 HydrophobicContact CB-CB 4.48Å; W19-M79 HydrophobicContact CH2-CE 3.83Å; W19-M79 HydrophobicContact CH2-CG 4.24Å; W19-M79 HydrophobicContact CH2-SD 4.09Å; W19-M79 HydrophobicContact CZ3-CE 3.98Å; W19-M79 HydrophobicContact CZ3-CG 3.93Å; W19-M79 HydrophobicContact CZ3-SD 4.34Å; W19-K425 HydrophobicContact CH2-CD 4.4Å; W19-K425 HydrophobicContact CZ2-CD 3.89Å; W19-K425 HydrophobicContact CZ2-CG 4.44Å; W19-I429 HydrophobicContact CH2-CD1 3.96Å; W19-I429 HydrophobicContact CZ2-CD1 4.18Å | ||
| 20 | S | 85.3 | Confident | 77 | Confident | 43 Ų | 43 | 84.9 Ų | 84.9 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | trans | -141.6 | 145.7 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | N22 R24 | S20-N22 VanDerWaalsContact C-N 3.29Å; S20-N22 WeakPolarHBondContact OG-CB 3.43Å; S20-N22 PolarHBondContact OG-N 3.48Å; S20-N22 VanDerWaalsContact OG-N 3.14Å; S20-R24 PolarHBondContact O-NH1 2.93Å | ||
| 21 | D | 84 | Confident | 79.3 | Confident | 111 Ų | 111 | 80.6 Ų | 80.6 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -84.7 | -8.5 | 170.5 | -60.9 | -25.7 | 0 | 0 | 0 | 111.4 | W19 K425 | W19-D21 PolarHBondContact NE1-OD1 2.78Å; D21-K425 IonicContact OD1-NZ 3.45Å |
| 22 | N | 87.9 | Confident | 81.5 | Confident | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -75.3 | 156 | 170 | -65.7 | -34.5 | 0 | 0 | 0 | 111 | S20 R24 | S20-N22 VanDerWaalsContact C-N 3.29Å; S20-N22 WeakPolarHBondContact OG-CB 3.43Å; S20-N22 PolarHBondContact OG-N 3.48Å; S20-N22 VanDerWaalsContact OG-N 3.14Å; N22-R24 PolarHBondContact O-N 2.94Å |
| 23 | L | 91.5 | Very high | 83.7 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 132.1 | 172.9 | -63.2 | 177.9 | 0 | 0 | 0 | 110.4 | D397 | L23-D397 WeakPolarHBondContact CA-O 3.32Å; L23-D397 HydrophobicContact CD2-CB 4.06Å |
| 24 | R | 91 | Very high | 85.7 | Confident | 11 Ų | 11 | 77.9 Ų | 77.9 | 4% | 0.042 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 137.3 | 176.6 | -67.2 | 164.2 | -178.9 | 64.6 | -2.8 | 109 | S20 N22 N76 C77 Y78 D397 H398 G399 | S20-R24 PolarHBondContact O-NH1 2.93Å; N22-R24 PolarHBondContact O-N 2.94Å; R24-N76 HydrophobicContact CB-CB 4.22Å; R24-N76 HydrophobicContact CG-CB 3.87Å; R24-C77 PolarHBondContact NE-O 2.57Å; R24-C77 PolarHBondContact NH2-O 2.8Å; R24-Y78 HydrophobicContact CB-CE1 4.38Å; R24-Y78 VanDerWaalsContact CD-CZ 3.49Å; R24-Y78 HydrophobicContact CG-CE1 4.38Å; R24-D397 PolarHBondContact N-O 3.47Å; R24-H398 PolarHBondContact NH1-O 3.11Å; R24-H398 VanDerWaalsContact NH1-O 3.12Å; R24-G399 VanDerWaalsContact NH1-N 3.2Å |
| 25 | K | 88.2 | Confident | 87.8 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 69% | 0.691 | 40% | 0.397 | S | S | * | . | trans | -119.5 | 140 | -179.6 | -65 | -175.5 | -179.7 | -178.1 | 0 | 109.4 | N76 | K25-N76 PolarHBondContact O-ND2 3.47Å; K25-N76 VanDerWaalsContact O-ND2 3.09Å | ||
| 26 | Q | 87.3 | Confident | 89.1 | Confident | 46 Ų | 46 | 75.3 Ų | 75.3 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | trans | -92.4 | 142.2 | 170.2 | -57.9 | -58 | -57.4 | 0 | 0 | 108.3 | S30 Y34 D72 Y78 | Q26-S30 VanDerWaalsContact OE1-CB 3.27Å; Q26-S30 PolarHBondContact OE1-OG 3.04Å; Q26-Y34 PolarHBondContact OE1-OH 3.18Å; Q26-D72 PolarHBondContact NE2-OD2 2.82Å; Q26-Y78 PolarHBondContact NE2-OH 3.17Å; Q26-Y78 VanDerWaalsContact NE2-OH 3.11Å | ||
| 27 | T | 86.9 | Confident | 90 | Very high | 66 Ų | 66 | 79.8 Ų | 79.8 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | trans | -118.2 | -171.8 | 179.3 | 88.9 | 0 | 0 | 0 | 0 | 111.2 | L29 S30 D31 E74 | T27-L29 PolarHBondContact O-N 3.06Å; T27-L29 VanDerWaalsContact O-N 3.16Å; T27-L29 PolarHBondContact OG1-N 3.48Å; T27-S30 PolarHBondContact O-N 2.98Å; T27-D31 PolarHBondContact O-N 3.49Å; T27-D31 VanDerWaalsContact O-N 3.1Å; T27-E74 WeakPolarHBondContact CA-OE1 3.06Å; T27-E74 VanDerWaalsContact CB-OE1 3.29Å; T27-E74 WeakPolarHBondContact CB-OE1 3.18Å; T27-E74 HydrophobicContact CG2-CG 4.43Å; T27-E74 WeakPolarHBondContact CG2-OE2 3.39Å; T27-E74 PolarHBondContact N-OE1 3.41Å; T27-E74 PolarHBondContact OG1-OE1 2.6Å; T27-E74 PolarHBondContact OG1-OE2 3.36Å | ||
| 28 | K | 87.8 | Confident | 90.9 | Very high | 182 Ų | 182 | 80.8 Ų | 80.8 | 79% | 0.791 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -56.9 | -26.2 | 175.4 | -66.2 | -173.1 | 177.7 | -176.6 | 0 | 113 | S32 | K28-S32 WeakPolarHBondContact O-CB 3.44Å; K28-S32 PolarHBondContact O-N 3.26Å |
| 29 | L | 92.6 | Very high | 91.8 | Very high | 83 Ų | 83 | 86 Ų | 86 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.5 | -52.3 | 177.6 | 178.3 | 60.1 | 0 | 0 | 0 | 110.4 | T27 D31 S32 I33 V73 | T27-L29 PolarHBondContact O-N 3.06Å; T27-L29 VanDerWaalsContact O-N 3.16Å; T27-L29 PolarHBondContact OG1-N 3.48Å; L29-D31 PolarHBondContact O-N 2.93Å; L29-S32 PolarHBondContact O-N 3.47Å; L29-S32 PolarHBondContact O-OG 3.02Å; L29-I33 PolarHBondContact O-N 3.23Å; L29-V73 HydrophobicContact CD2-CB 3.89Å; L29-V73 HydrophobicContact CD2-CG2 4.06Å; L29-V73 WeakPolarHBondContact CD2-O 3.37Å; L29-V73 HydrophobicContact CG-CB 4.15Å; L29-V73 HydrophobicContact CG-CG2 3.88Å |
| 30 | S | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 171.3 | -77.6 | 0 | 0 | 0 | 0 | 112.9 | Q26 T27 S32 I33 Y34 V73 E74 | Q26-S30 VanDerWaalsContact OE1-CB 3.27Å; Q26-S30 PolarHBondContact OE1-OG 3.04Å; T27-S30 PolarHBondContact O-N 2.98Å; S30-S32 VanDerWaalsContact C-N 3.28Å; S30-S32 PolarHBondContact O-N 3.38Å; S30-I33 WeakPolarHBondContact O-CB 3.47Å; S30-I33 PolarHBondContact O-N 3.21Å; S30-Y34 WeakPolarHBondContact CB-OH 3.03Å; S30-Y34 VanDerWaalsContact O-CD2 3.3Å; S30-Y34 WeakPolarHBondContact O-CD2 3.31Å; S30-Y34 VanDerWaalsContact O-CG 3.25Å; S30-Y34 PolarHBondContact O-N 2.77Å; S30-V73 WeakPolarHBondContact OG-CG2 3.32Å; S30-E74 PolarHBondContact N-OE1 3.17Å; S30-E74 VanDerWaalsContact N-OE1 3.09Å; S30-E74 PolarHBondContact OG-OE1 2.87Å |
| 31 | D | 94.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 92.1 Ų | 92.1 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 179.4 | -66.9 | -22.4 | 0 | 0 | 0 | 112.2 | T27 L29 I33 Y34 S35 | T27-D31 PolarHBondContact O-N 3.49Å; T27-D31 VanDerWaalsContact O-N 3.1Å; L29-D31 PolarHBondContact O-N 2.93Å; D31-I33 PolarHBondContact O-N 3.27Å; D31-Y34 PolarHBondContact O-N 2.79Å; D31-S35 PolarHBondContact O-N 2.88Å; D31-S35 PolarHBondContact O-OG 3.01Å; D31-S35 VanDerWaalsContact O-OG 3.12Å |
| 32 | S | 96.4 | Very high | 93.4 | Very high | 55 Ų | 55 | 91 Ų | 91 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -29.5 | 178.4 | 79.1 | 0 | 0 | 0 | 0 | 113.5 | K28 L29 S30 R36 | K28-S32 WeakPolarHBondContact O-CB 3.44Å; K28-S32 PolarHBondContact O-N 3.26Å; L29-S32 PolarHBondContact O-N 3.47Å; L29-S32 PolarHBondContact O-OG 3.02Å; S30-S32 VanDerWaalsContact C-N 3.28Å; S30-S32 PolarHBondContact O-N 3.38Å; S32-R36 WeakPolarHBondContact O-CB 3.29Å; S32-R36 PolarHBondContact O-N 3.35Å |
| 33 | I | 96.4 | Very high | 93.7 | Very high | 58 Ų | 58 | 91.2 Ų | 91.2 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.9 | -45.7 | 176.4 | -65.2 | 173.6 | 0 | 0 | 0 | 109.6 | L29 S30 D31 S35 R36 E37 A51 V73 | L29-I33 PolarHBondContact O-N 3.23Å; S30-I33 WeakPolarHBondContact O-CB 3.47Å; S30-I33 PolarHBondContact O-N 3.21Å; D31-I33 PolarHBondContact O-N 3.27Å; I33-S35 PolarHBondContact O-N 2.6Å; I33-R36 WeakPolarHBondContact O-CB 3.22Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.15Å; I33-E37 PolarHBondContact O-N 3.04Å; I33-A51 HydrophobicContact CB-CB 4.18Å; I33-A51 HydrophobicContact CD1-CB 3.85Å; I33-A51 HydrophobicContact CG2-CB 3.93Å; I33-V73 HydrophobicContact CD1-CB 4.16Å; I33-V73 HydrophobicContact CD1-CG1 3.5Å; I33-V73 HydrophobicContact CD1-CG2 3.89Å |
| 34 | Y | 95.9 | Very high | 93.8 | Very high | 50 Ų | 50 | 92.3 Ų | 92.3 | 20% | 0.196 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 176.9 | -52.1 | -30.8 | 0 | 0 | 0 | 111.2 | Q26 S30 D31 R36 E37 D38 P49 V50 A51 | Q26-Y34 PolarHBondContact OE1-OH 3.18Å; S30-Y34 WeakPolarHBondContact CB-OH 3.03Å; S30-Y34 VanDerWaalsContact O-CD2 3.3Å; S30-Y34 WeakPolarHBondContact O-CD2 3.31Å; S30-Y34 VanDerWaalsContact O-CG 3.25Å; S30-Y34 PolarHBondContact O-N 2.77Å; D31-Y34 PolarHBondContact O-N 2.79Å; Y34-R36 PolarHBondContact O-N 3.13Å; Y34-E37 PolarHBondContact O-N 2.88Å; Y34-D38 WeakPolarHBondContact O-CB 3.39Å; Y34-D38 PolarHBondContact O-N 3.11Å; Y34-P49 HydrophobicContact CE2-CB 4.18Å; Y34-P49 PolarHBondContact OH-O 3Å; Y34-V50 WeakPolarHBondContact OH-CA 3.49Å; Y34-V50 PolarHBondContact OH-N 3.27Å; Y34-V50 VanDerWaalsContact OH-N 3.1Å; Y34-A51 HydrophobicContact CE1-CB 3.75Å; Y34-A51 PolarHBondContact OH-N 3.33Å; Y34-A51 VanDerWaalsContact OH-N 3.1Å |
| 35 | S | 96.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 99.7 Ų | 99.7 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -30.2 | 177.7 | -59.7 | 0 | 0 | 0 | 0 | 113 | D31 I33 K39 | D31-S35 PolarHBondContact O-N 2.88Å; D31-S35 PolarHBondContact O-OG 3.01Å; D31-S35 VanDerWaalsContact O-OG 3.12Å; I33-S35 PolarHBondContact O-N 2.6Å; S35-K39 VanDerWaalsContact O-CB 3.29Å; S35-K39 WeakPolarHBondContact O-CB 3.2Å; S35-K39 PolarHBondContact O-N 2.98Å |
| 36 | R | 97 | Very high | 94 | Very high | 166 Ų | 166 | 98.5 Ų | 98.5 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70 | -45.9 | 175.6 | -173.3 | -179.1 | -59.1 | 179 | 2.7 | 111.1 | S32 I33 Y34 K39 Y40 | S32-R36 WeakPolarHBondContact O-CB 3.29Å; S32-R36 PolarHBondContact O-N 3.35Å; I33-R36 WeakPolarHBondContact O-CB 3.22Å; I33-R36 PolarHBondContact O-N 3.47Å; I33-R36 VanDerWaalsContact O-N 3.15Å; Y34-R36 PolarHBondContact O-N 3.13Å; R36-K39 PolarHBondContact O-N 3.19Å; R36-Y40 HydrophobicContact CG-CD2 3.96Å; R36-Y40 HydrophobicContact CG-CE2 4.2Å; R36-Y40 VanDerWaalsContact O-CD2 3.24Å; R36-Y40 WeakPolarHBondContact O-CD2 3.34Å; R36-Y40 PolarHBondContact O-N 3.42Å |
| 37 | E | 96.2 | Very high | 94.3 | Very high | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.3 | -174.6 | 177 | -167.4 | 0 | 0 | 111.1 | I33 Y34 K39 Y40 G41 | I33-E37 PolarHBondContact O-N 3.04Å; Y34-E37 PolarHBondContact O-N 2.88Å; E37-K39 VanDerWaalsContact C-N 3.3Å; E37-K39 PolarHBondContact O-N 2.69Å; E37-Y40 PolarHBondContact O-N 3.09Å; E37-G41 VanDerWaalsContact O-CA 3.31Å; E37-G41 WeakPolarHBondContact O-CA 3.36Å; E37-G41 PolarHBondContact O-N 3.17Å |
| 38 | D | 95.8 | Very high | 94.6 | Very high | 104 Ų | 104 | 97.6 Ų | 97.6 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.5 | -40.1 | 175.5 | -175.2 | 71.1 | 0 | 0 | 0 | 111.8 | Y34 H43 | Y34-D38 WeakPolarHBondContact O-CB 3.39Å; Y34-D38 PolarHBondContact O-N 3.11Å; D38-H43 PolarHBondContact O-NE2 2.77Å; D38-H43 IonicContact OD1-CE1 3.13Å; D38-H43 IonicContact OD1-NE2 3.2Å; D38-H43 PolarHBondContact OD1-NE2 3.24Å |
| 39 | K | 97.6 | Very high | 95 | Very high | 147 Ų | 147 | 91 Ų | 91 | 64% | 0.639 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.2 | -37.3 | 179 | -176.3 | 176.1 | 178.9 | -168.3 | 0 | 114 | S35 R36 E37 | S35-K39 VanDerWaalsContact O-CB 3.29Å; S35-K39 WeakPolarHBondContact O-CB 3.2Å; S35-K39 PolarHBondContact O-N 2.98Å; R36-K39 PolarHBondContact O-N 3.19Å; E37-K39 VanDerWaalsContact C-N 3.3Å; E37-K39 PolarHBondContact O-N 2.69Å |
| 40 | Y | 97.6 | Very high | 95.1 | Very high | 169 Ų | 169 | 88 Ų | 88 | 66% | 0.663 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -115.7 | -11.8 | -166.8 | -61 | -65.2 | 0 | 0 | 0 | 114.7 | R36 E37 | R36-Y40 HydrophobicContact CG-CD2 3.96Å; R36-Y40 HydrophobicContact CG-CE2 4.2Å; R36-Y40 VanDerWaalsContact O-CD2 3.24Å; R36-Y40 WeakPolarHBondContact O-CD2 3.34Å; R36-Y40 PolarHBondContact O-N 3.42Å; E37-Y40 PolarHBondContact O-N 3.09Å |
| 41 | G | 96 | Very high | 95.2 | Very high | 34 Ų | 34 | 88.5 Ų | 88.5 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -90 | 162.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E37 H43 | E37-G41 VanDerWaalsContact O-CA 3.31Å; E37-G41 WeakPolarHBondContact O-CA 3.36Å; E37-G41 PolarHBondContact O-N 3.17Å; G41-H43 VanDerWaalsContact C-N 3.31Å; G41-H43 PolarHBondContact O-CD2 3.18Å; G41-H43 VanDerWaalsContact O-CD2 3.26Å; G41-H43 PolarHBondContact O-N 2.98Å |
| 42 | A | 94 | Very high | 95.2 | Very high | 87 Ų | 87 | 88.8 Ų | 88.8 | 72% | 0.719 | 45% | 0.454 | S | S | * | . | trans | -83.6 | 12.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N44 | A42-N44 PolarHBondContact O-N 2.8Š| ||
| 43 | H | 93.2 | Very high | 95.1 | Very high | 127 Ų | 127 | 89.7 Ų | 89.7 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | trans | 51.2 | 15.6 | 174.3 | -65.6 | -168.3 | 0 | 0 | 0 | 116.6 | D38 G41 Y45 | D38-H43 PolarHBondContact O-NE2 2.77Å; D38-H43 IonicContact OD1-CE1 3.13Å; D38-H43 IonicContact OD1-NE2 3.2Å; D38-H43 PolarHBondContact OD1-NE2 3.24Å; G41-H43 VanDerWaalsContact C-N 3.31Å; G41-H43 PolarHBondContact O-CD2 3.18Å; G41-H43 VanDerWaalsContact O-CD2 3.26Å; G41-H43 PolarHBondContact O-N 2.98Å; H43-Y45 VanDerWaalsContact C-N 3.25Å; H43-Y45 PolarHBondContact O-N 3.34Å | ||
| 44 | N | 94.1 | Very high | 94.8 | Very high | 120 Ų | 120 | 92 Ų | 92 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | trans | -84.4 | 0.7 | -178.6 | 63.8 | -66.6 | 0 | 0 | 0 | 113.3 | A42 | A42-N44 PolarHBondContact O-N 2.8Š| ||
| 45 | Y | 92.4 | Very high | 94.3 | Very high | 166 Ų | 166 | 90.7 Ų | 90.7 | 65% | 0.651 | 47% | 0.47 | S | S | * | . | trans | -124.2 | 155.1 | 172.3 | -81.5 | -92.5 | 0 | 0 | 0 | 109.7 | H43 P47 | H43-Y45 VanDerWaalsContact C-N 3.25Å; H43-Y45 PolarHBondContact O-N 3.34Å; Y45-P47 WeakPolarHBondContact O-CD 3.48Å | ||
| 46 | H | 91.5 | Very high | 93.2 | Very high | 135 Ų | 135 | 91 Ų | 91 | 63% | 0.625 | 46% | 0.461 | S | S | * | . | trans | -118.4 | 83.1 | 168.7 | -170.4 | 59.3 | 0 | 0 | 0 | 109.1 | W389 K403 | H46-W389 AromaticContact CD2-CH2 3.27Å; H46-W389 WeakPolarHBondContact CD2-CH2 3.49Å; H46-W389 AromaticContact CD2-CZ2 3.85Å; H46-W389 AromaticContact CD2-CZ3 3.42Å; H46-W389 VanDerWaalsContact CD2-CZ3 3.42Å; H46-W389 WeakPolarHBondContact CD2-CZ3 3.36Å; H46-W389 AromaticContact NE2-CH2 3.46Å; H46-W389 WeakPolarHBondContact NE2-CH2 3.48Å; H46-W389 AromaticContact NE2-CZ2 3.52Å; H46-W389 AromaticContact NE2-CZ3 3.96Å; H46-K403 PolarHBondContact O-NZ 3.15Å | ||
| 47 | P | 94 | Very high | 91.3 | Very high | 68 Ų | 68 | 83.6 Ų | 83.6 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | trans | -64.5 | 152.1 | -172.7 | -22.3 | 34.7 | 0 | 0 | 0 | 113.2 | Y45 W389 | Y45-P47 WeakPolarHBondContact O-CD 3.48Å; P47-W389 WeakPolarHBondContact O-CH2 3.01Å | ||
| 48 | L | 93.7 | Very high | 89.2 | Confident | 25 Ų | 25 | 79 Ų | 79 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | trans | -69.4 | 140.3 | 165.9 | -155.5 | 75.3 | 0 | 0 | 0 | 107.4 | V50 W389 C392 L393 R396 L401 | L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CD2-CG2 4.46Å; L48-V50 PolarHBondContact O-N 2.91Å; L48-W389 HydrophobicContact CD1-CH2 4.27Å; L48-W389 HydrophobicContact CD1-CZ2 4.42Å; L48-C392 HydrophobicContact CD1-CB 4.14Å; L48-L393 HydrophobicContact CD1-CD2 4.05Å; L48-R396 HydrophobicContact CD2-CB 3.85Å; L48-R396 HydrophobicContact CD2-CG 4.13Å; L48-L401 HydrophobicContact CD2-CD2 4.05Å | ||
| 49 | P | 94.8 | Very high | 86.7 | Confident | 44 Ų | 44 | 76.7 Ų | 76.7 | 29% | 0.286 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -75.5 | 80.5 | -175.8 | 0.5 | 12.8 | 0 | 0 | 0 | 110.7 | Y34 L393 R396 | Y34-P49 HydrophobicContact CE2-CB 4.18Å; Y34-P49 PolarHBondContact OH-O 3Å; P49-L393 HydrophobicContact CG-CD2 4.1Å; P49-R396 VanDerWaalsContact CG-NH1 3.25Å; P49-R396 PolarHBondContact O-NH1 2.65Å |
| 50 | V | 95 | Very high | 83.8 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 12% | 0.121 | 41% | 0.405 | C | S | . | . | trans | -148.1 | 114.6 | 174.8 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | Y34 L48 L52 D72 Y78 R396 L401 | Y34-V50 WeakPolarHBondContact OH-CA 3.49Å; Y34-V50 PolarHBondContact OH-N 3.27Å; Y34-V50 VanDerWaalsContact OH-N 3.1Å; L48-V50 VanDerWaalsContact C-N 3.26Å; L48-V50 HydrophobicContact CD2-CG2 4.46Å; L48-V50 PolarHBondContact O-N 2.91Å; V50-L52 HydrophobicContact CG1-CD2 3.6Å; V50-L52 HydrophobicContact CG1-CG 4.09Å; V50-L52 PolarHBondContact O-N 2.83Å; V50-D72 HydrophobicContact CG1-CB 3.85Å; V50-Y78 HydrophobicContact CG1-CE2 3.96Å; V50-Y78 HydrophobicContact CG2-CE1 4.47Å; V50-R396 HydrophobicContact CG2-CG 3.45Å; V50-R396 VanDerWaalsContact CG2-CG 3.45Å; V50-L401 HydrophobicContact CG2-CD2 3.9Å | ||
| 51 | A | 95.8 | Very high | 81.2 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 8% | 0.083 | 41% | 0.414 | C | S | . | . | trans | -88.5 | 90.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | I33 Y34 D72 V73 | I33-A51 HydrophobicContact CB-CB 4.18Å; I33-A51 HydrophobicContact CD1-CB 3.85Å; I33-A51 HydrophobicContact CG2-CB 3.93Å; Y34-A51 HydrophobicContact CE1-CB 3.75Å; Y34-A51 PolarHBondContact OH-N 3.33Å; Y34-A51 VanDerWaalsContact OH-N 3.1Å; A51-D72 CarbonylContact O-C 3.44Å; A51-D72 WeakPolarHBondContact O-CA 3.33Å; A51-D72 VanDerWaalsContact O-CB 3.31Å; A51-D72 WeakPolarHBondContact O-CB 3.35Å; A51-V73 HydrophobicContact CB-CG1 4.3Å; A51-V73 HydrophobicContact CB-CG2 3.91Å; A51-V73 PolarHBondContact O-N 2.85Å | ||
| 52 | L | 95.3 | Very high | 78.6 | Confident | 90 Ų | 90 | 82.7 Ų | 82.7 | 47% | 0.471 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 131.3 | 178.4 | -63.5 | 179.5 | 0 | 0 | 0 | 111.8 | V50 V70 W71 L401 | V50-L52 HydrophobicContact CG1-CD2 3.6Å; V50-L52 HydrophobicContact CG1-CG 4.09Å; V50-L52 PolarHBondContact O-N 2.83Å; L52-V70 HydrophobicContact CD1-CB 4.34Å; L52-V70 HydrophobicContact CD1-CG2 4.03Å; L52-V70 HydrophobicContact CD2-CB 3.97Å; L52-V70 HydrophobicContact CD2-CG2 3.57Å; L52-V70 HydrophobicContact CG-CG2 4.46Å; L52-W71 CarbonylContact C-O 3.55Å; L52-W71 WeakPolarHBondContact CA-O 3.29Å; L52-L401 HydrophobicContact CD1-CD1 4.22Å; L52-L401 HydrophobicContact CD2-CD1 4.02Å |
| 53 | S | 93.8 | Very high | 76.2 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 52% | 0.524 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -21.8 | -177 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | W71 D72 | S53-W71 PolarHBondContact N-O 3.37Å; S53-W71 PolarHBondContact OG-O 3Å; S53-D72 PolarHBondContact OG-O 3.33Å |
| 54 | K | 91 | Very high | 74.2 | Confident | 107 Ų | 107 | 82.8 Ų | 82.8 | 47% | 0.465 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 134.2 | -173.8 | 178.8 | -179.7 | -179.2 | 177.6 | 0 | 111.2 | V70 W71 | K54-V70 CarbonylContact O-C 3.49Å; K54-V70 VanDerWaalsContact O-CA 3.29Å; K54-V70 WeakPolarHBondContact O-CA 3.45Å; K54-W71 HydrophobicContact CB-CB 4.32Å; K54-W71 HydrophobicContact CB-CE3 4.43Å; K54-W71 HydrophobicContact CD-CE3 4.26Å; K54-W71 HydrophobicContact CG-CE3 4.1Å; K54-W71 PolarHBondContact N-O 3.49Å; K54-W71 PolarHBondContact O-N 3.29Å |
| 55 | G | 85.5 | Confident | 72.5 | Confident | 21 Ų | 21 | 77.3 Ų | 77.3 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 155.2 | 155 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 56 | K | 73.2 | Confident | 71.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 37% | 0.365 | 37% | 0.371 | S | S | . | . | trans | -127.1 | 123.9 | 178.6 | -171.1 | 162.4 | 174.1 | -171.1 | 0 | 112 | L66 G67 W71 H92 | K56-L66 HydrophobicContact CB-CB 4.24Å; K56-L66 HydrophobicContact CD-CD1 3.71Å; K56-L66 HydrophobicContact CG-CB 4.11Å; K56-L66 HydrophobicContact CG-CD1 4.11Å; K56-L66 CarbonylContact O-C 3.24Å; K56-G67 WeakPolarHBondContact O-CA 3.45Å; K56-G67 PolarHBondContact O-N 3.39Å; K56-W71 HydrophobicContact CB-CH2 3.81Å; K56-W71 HydrophobicContact CB-CZ3 3.47Å; K56-W71 VanDerWaalsContact CB-CZ3 3.47Å; K56-H92 CarbonylContact C-O 3.48Å; K56-H92 VanDerWaalsContact C-O 3.23Å | ||
| 57 | G | 57.1 | Low | 71 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S59 H92 C93 | G57-S59 PolarHBondContact O-N 3.45Å; G57-H92 WeakPolarHBondContact CA-O 3.41Å; G57-H92 PolarHBondContact N-O 3.12Å; G57-C93 WeakPolarHBondContact CA-O 3.35Å |
| 58 | I | 52.6 | Low | 71 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -47.2 | 123.2 | 161.5 | -63.1 | 172.9 | 0 | 0 | 0 | 107.3 | T60 L64 P95 V417 | I58-T60 PolarHBondContact O-N 3.34Å; I58-L64 HydrophobicContact CG2-CD2 4.29Å; I58-P95 VanDerWaalsContact O-CD 3.27Å; I58-P95 WeakPolarHBondContact O-CD 3.36Å; I58-P95 WeakPolarHBondContact O-CG 3.34Å; I58-V417 HydrophobicContact CD1-CB 3.87Å; I58-V417 HydrophobicContact CD1-CG1 3.83Å; I58-V417 HydrophobicContact CD1-CG2 4.17Å |
| 59 | S | 41.9 | Very low | 71 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 122.7 | 172 | -176.3 | 0 | 0 | 0 | 0 | 107 | G57 | G57-S59 PolarHBondContact O-N 3.45Å |
| 60 | T | 36.8 | Very low | 71 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 141 | 163.3 | 29.8 | 0 | 0 | 0 | 0 | 108.9 | I58 P95 | I58-T60 PolarHBondContact O-N 3.34Å; T60-P95 HydrophobicContact CG2-CB 4.36Å; T60-P95 HydrophobicContact CG2-CG 4.11Å |
| 61 | F | 44.2 | Very low | 71 | Confident | 191 Ų | 191 | 57 Ų | 57 | 84% | 0.838 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | -42.3 | 177.8 | -96.3 | -94.9 | 0 | 0 | 0 | 121.6 | ||
| 62 | F | 40.3 | Very low | 70.9 | Confident | 189 Ų | 189 | 56.7 Ų | 56.7 | 83% | 0.829 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.9 | -2.6 | -178.6 | -89.2 | -79.2 | 0 | 0 | 0 | 118.3 | ||
| 63 | I | 44.4 | Very low | 70.9 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -130.4 | 87.7 | -179.5 | -54.8 | 178.2 | 0 | 0 | 0 | 110.4 | S65 L66 | I63-S65 PolarHBondContact O-N 3.34Å; I63-L66 HydrophobicContact CG2-CD1 4.32Å; I63-L66 HydrophobicContact CG2-CG 4.09Å |
| 64 | L | 51.2 | Low | 70.8 | Confident | 125 Ų | 125 | 53.4 Ų | 53.4 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 20.2 | -176.6 | -76.4 | 168.3 | 0 | 0 | 0 | 116.1 | I58 K419 | I58-L64 HydrophobicContact CG2-CD2 4.29Å; L64-K419 WeakPolarHBondContact O-CE 3.36Å |
| 65 | S | 57.4 | Low | 70.8 | Confident | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -154.3 | 37.8 | -175.6 | 68 | 0 | 0 | 0 | 0 | 119.3 | I63 Y69 K419 E422 | I63-S65 PolarHBondContact O-N 3.34Å; S65-Y69 WeakPolarHBondContact O-CD2 3.4Å; S65-Y69 VanDerWaalsContact O-CE2 3.26Å; S65-Y69 WeakPolarHBondContact O-CE2 3.39Å; S65-K419 VanDerWaalsContact CB-CD 3.43Å; S65-K419 WeakPolarHBondContact OG-CD 3.34Å; S65-K419 WeakPolarHBondContact OG-CE 3.46Å; S65-K419 PolarHBondContact OG-NZ 2.8Å; S65-E422 VanDerWaalsContact CB-CD 3.47Å; S65-E422 WeakPolarHBondContact CB-OE1 3.33Å; S65-E422 WeakPolarHBondContact CB-OE2 3.26Å; S65-E422 VanDerWaalsContact O-OE1 3.09Å; S65-E422 PolarHBondContact OG-OE1 2.67Å |
| 66 | L | 70.3 | Confident | 71.2 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | trans | -87 | -12.7 | 171.5 | -63.1 | 177.5 | 0 | 0 | 0 | 113.8 | I16 K56 I63 I68 Y69 | I16-L66 HydrophobicContact CG1-CD2 4.45Å; I16-L66 HydrophobicContact CG2-CD2 4.49Å; K56-L66 HydrophobicContact CB-CB 4.24Å; K56-L66 HydrophobicContact CD-CD1 3.71Å; K56-L66 HydrophobicContact CG-CB 4.11Å; K56-L66 HydrophobicContact CG-CD1 4.11Å; K56-L66 CarbonylContact O-C 3.24Å; I63-L66 HydrophobicContact CG2-CD1 4.32Å; I63-L66 HydrophobicContact CG2-CG 4.09Å; L66-I68 PolarHBondContact O-N 3.37Å; L66-Y69 HydrophobicContact CD2-CD2 4.22Å; L66-Y69 PolarHBondContact O-N 2.95Å | ||
| 67 | G | 82.6 | Confident | 72.1 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | K56 G91 H92 | K56-G67 WeakPolarHBondContact O-CA 3.45Å; K56-G67 PolarHBondContact O-N 3.39Å; G67-G91 CarbonylContact O-C 3.58Å; G67-G91 VanDerWaalsContact O-CA 3.26Å; G67-G91 WeakPolarHBondContact O-CA 3.31Å; G67-H92 PolarHBondContact O-CD2 3.14Å; G67-H92 PolarHBondContact O-N 3.25Å |
| 68 | I | 93.6 | Very high | 73.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.4 | 174.7 | 69.9 | 168.2 | 0 | 0 | 0 | 113.3 | L66 M79 D80 P415 V417 I418 E422 | L66-I68 PolarHBondContact O-N 3.37Å; I68-M79 HydrophobicContact CD1-CE 4.47Å; I68-M79 HydrophobicContact CD1-CG 3.94Å; I68-D80 PolarHBondContact O-N 3.47Å; I68-P415 HydrophobicContact CG2-CB 4.11Å; I68-P415 HydrophobicContact CG2-CG 4.28Å; I68-V417 HydrophobicContact CG2-CG2 4.48Å; I68-I418 HydrophobicContact CD1-CD1 4.15Å; I68-I418 HydrophobicContact CD1-CG1 4.03Å; I68-I418 HydrophobicContact CG2-CB 3.65Å; I68-I418 HydrophobicContact CG2-CG1 4.14Å; I68-E422 HydrophobicContact CD1-CB 3.77Å; I68-E422 HydrophobicContact CD1-CG 4.17Å |
| 69 | Y | 94 | Very high | 76 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.7 | -171.3 | -62.6 | -82.9 | 0 | 0 | 0 | 111.7 | I16 W19 S65 L66 W71 C77 Y78 M79 E422 | I16-Y69 HydrophobicContact CD1-CD2 4.18Å; I16-Y69 HydrophobicContact CD1-CE1 3.87Å; I16-Y69 HydrophobicContact CD1-CE2 3.47Å; I16-Y69 VanDerWaalsContact CD1-CE2 3.47Å; I16-Y69 VanDerWaalsContact CD1-OH 3.32Å; I16-Y69 WeakPolarHBondContact CD1-OH 3.3Å; W19-Y69 HydrophobicContact CE3-CD1 4.26Å; W19-Y69 AromaticContact CE3-CE1 3.81Å; W19-Y69 HydrophobicContact CE3-CE1 3.81Å; W19-Y69 HydrophobicContact CZ3-CD1 4.28Å; W19-Y69 AromaticContact CZ3-CE1 3.77Å; W19-Y69 HydrophobicContact CZ3-CE1 3.77Å; S65-Y69 WeakPolarHBondContact O-CD2 3.4Å; S65-Y69 VanDerWaalsContact O-CE2 3.26Å; S65-Y69 WeakPolarHBondContact O-CE2 3.39Å; L66-Y69 HydrophobicContact CD2-CD2 4.22Å; L66-Y69 PolarHBondContact O-N 2.95Å; Y69-W71 WeakPolarHBondContact O-CZ3 3.09Å; Y69-C77 VanDerWaalsContact CD1-SG 3.5Å; Y69-Y78 VanDerWaalsContact CA-O 3.22Å; Y69-Y78 WeakPolarHBondContact CA-O 3.4Å; Y69-M79 HydrophobicContact CD1-CG 4.06Å; Y69-M79 HydrophobicContact CE1-CE 3.81Å; Y69-M79 HydrophobicContact CE1-CG 3.62Å; Y69-M79 WeakPolarHBondContact OH-CE 3.1Å; Y69-E422 VanDerWaalsContact CE2-OE1 3.28Å; Y69-E422 WeakPolarHBondContact CE2-OE1 3.45Å; Y69-E422 PolarHBondContact OH-OE1 2.95Å |
| 70 | V | 94.9 | Very high | 78.6 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.2 | 172 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | L52 K54 C77 Y78 D80 H92 L401 | L52-V70 HydrophobicContact CD1-CB 4.34Å; L52-V70 HydrophobicContact CD1-CG2 4.03Å; L52-V70 HydrophobicContact CD2-CB 3.97Å; L52-V70 HydrophobicContact CD2-CG2 3.57Å; L52-V70 HydrophobicContact CG-CG2 4.46Å; K54-V70 CarbonylContact O-C 3.49Å; K54-V70 VanDerWaalsContact O-CA 3.29Å; K54-V70 WeakPolarHBondContact O-CA 3.45Å; V70-C77 CarbonylContact O-C 3.23Å; V70-C77 WeakPolarHBondContact O-CA 3.28Å; V70-Y78 PolarHBondContact N-O 2.96Å; V70-Y78 PolarHBondContact O-N 2.79Å; V70-D80 HydrophobicContact CG1-CB 4.42Å; V70-D80 HydrophobicContact CG2-CB 4.41Å; V70-H92 WeakPolarHBondContact CG1-NE2 3.35Å; V70-L401 HydrophobicContact CG2-CD1 3.67Å |
| 71 | W | 94.5 | Very high | 81.5 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141 | 178.6 | -65.4 | -102.5 | 0 | 0 | 0 | 110 | I16 S17 L52 S53 K54 K56 Y69 N76 C77 | I16-W71 HydrophobicContact CG2-CZ2 4.01Å; S17-W71 PolarHBondContact O-NE1 2.9Å; L52-W71 CarbonylContact C-O 3.55Å; L52-W71 WeakPolarHBondContact CA-O 3.29Å; S53-W71 PolarHBondContact N-O 3.37Å; S53-W71 PolarHBondContact OG-O 3Å; K54-W71 HydrophobicContact CB-CB 4.32Å; K54-W71 HydrophobicContact CB-CE3 4.43Å; K54-W71 HydrophobicContact CD-CE3 4.26Å; K54-W71 HydrophobicContact CG-CE3 4.1Å; K54-W71 PolarHBondContact N-O 3.49Å; K54-W71 PolarHBondContact O-N 3.29Å; K56-W71 HydrophobicContact CB-CH2 3.81Å; K56-W71 HydrophobicContact CB-CZ3 3.47Å; K56-W71 VanDerWaalsContact CB-CZ3 3.47Å; Y69-W71 WeakPolarHBondContact O-CZ3 3.09Å; W71-N76 VanDerWaalsContact CA-O 3.23Å; W71-N76 WeakPolarHBondContact CA-O 3.39Å; W71-C77 HydrophobicContact CG-CB 4.48Å |
| 72 | D | 95.2 | Very high | 84 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 178.8 | 168.6 | 72.2 | 6.4 | 0 | 0 | 0 | 111.9 | Q26 V50 A51 S53 E74 G75 N76 Y78 | Q26-D72 PolarHBondContact NE2-OD2 2.82Å; V50-D72 HydrophobicContact CG1-CB 3.85Å; A51-D72 CarbonylContact O-C 3.44Å; A51-D72 WeakPolarHBondContact O-CA 3.33Å; A51-D72 VanDerWaalsContact O-CB 3.31Å; A51-D72 WeakPolarHBondContact O-CB 3.35Å; S53-D72 PolarHBondContact OG-O 3.33Å; D72-E74 PolarHBondContact O-N 3.49Å; D72-E74 WeakPolarHBondContact OD1-CA 3.38Å; D72-E74 WeakPolarHBondContact OD1-CB 3.5Å; D72-E74 PolarHBondContact OD1-N 2.99Å; D72-G75 PolarHBondContact O-N 3.09Å; D72-G75 PolarHBondContact OD1-N 3.37Å; D72-N76 PolarHBondContact N-O 2.91Å; D72-N76 WeakPolarHBondContact OD1-CB 3.47Å; D72-N76 PolarHBondContact OD1-N 3.11Å; D72-N76 PolarHBondContact OD1-ND2 3.21Å; D72-N76 WeakPolarHBondContact OD2-CB 3.23Å; D72-N76 PolarHBondContact OD2-ND2 2.93Å; D72-Y78 HydrophobicContact CB-CE2 3.9Å; D72-Y78 PolarHBondContact OD2-OH 2.98Å |
| 73 | V | 94.1 | Very high | 86.6 | Confident | 43 Ų | 43 | 21.9 Ų | 21.9 | 26% | 0.261 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.5 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 114 | L29 S30 I33 A51 G75 | L29-V73 HydrophobicContact CD2-CB 3.89Å; L29-V73 HydrophobicContact CD2-CG2 4.06Å; L29-V73 WeakPolarHBondContact CD2-O 3.37Å; L29-V73 HydrophobicContact CG-CB 4.15Å; L29-V73 HydrophobicContact CG-CG2 3.88Å; S30-V73 WeakPolarHBondContact OG-CG2 3.32Å; I33-V73 HydrophobicContact CD1-CB 4.16Å; I33-V73 HydrophobicContact CD1-CG1 3.5Å; I33-V73 HydrophobicContact CD1-CG2 3.89Å; A51-V73 HydrophobicContact CB-CG1 4.3Å; A51-V73 HydrophobicContact CB-CG2 3.91Å; A51-V73 PolarHBondContact O-N 2.85Å; V73-G75 VanDerWaalsContact C-N 3.28Å |
| 74 | E | 92.1 | Very high | 89 | Confident | 53 Ų | 53 | 19.9 Ų | 19.9 | 25% | 0.248 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.3 | 176.8 | -50.6 | -66.7 | 179.4 | 0 | 0 | 111.8 | T27 S30 D72 N76 | T27-E74 WeakPolarHBondContact CA-OE1 3.06Å; T27-E74 VanDerWaalsContact CB-OE1 3.29Å; T27-E74 WeakPolarHBondContact CB-OE1 3.18Å; T27-E74 HydrophobicContact CG2-CG 4.43Å; T27-E74 WeakPolarHBondContact CG2-OE2 3.39Å; T27-E74 PolarHBondContact N-OE1 3.41Å; T27-E74 PolarHBondContact OG1-OE1 2.6Å; T27-E74 PolarHBondContact OG1-OE2 3.36Å; S30-E74 PolarHBondContact N-OE1 3.17Å; S30-E74 VanDerWaalsContact N-OE1 3.09Å; S30-E74 PolarHBondContact OG-OE1 2.87Å; D72-E74 PolarHBondContact O-N 3.49Å; D72-E74 WeakPolarHBondContact OD1-CA 3.38Å; D72-E74 WeakPolarHBondContact OD1-CB 3.5Å; D72-E74 PolarHBondContact OD1-N 2.99Å; E74-N76 VanDerWaalsContact C-N 3.34Å |
| 75 | G | 91.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 17.1 Ų | 17.1 | 38% | 0.381 | 10% | 0.102 | S | C | . | . | trans | 82.5 | 6.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G18 D72 V73 | G18-G75 WeakPolarHBondContact CA-O 3.5Å; D72-G75 PolarHBondContact O-N 3.09Å; D72-G75 PolarHBondContact OD1-N 3.37Å; V73-G75 VanDerWaalsContact C-N 3.28Å | ||
| 76 | N | 93.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 17 Ų | 17 | 16% | 0.16 | 10% | 0.101 | C | C | . | . | trans | -69.2 | 131.1 | 173.8 | -60.5 | -58.6 | 0 | 0 | 0 | 109.7 | R24 K25 W71 D72 E74 Y78 | R24-N76 HydrophobicContact CB-CB 4.22Å; R24-N76 HydrophobicContact CG-CB 3.87Å; K25-N76 PolarHBondContact O-ND2 3.47Å; K25-N76 VanDerWaalsContact O-ND2 3.09Å; W71-N76 VanDerWaalsContact CA-O 3.23Å; W71-N76 WeakPolarHBondContact CA-O 3.39Å; D72-N76 PolarHBondContact N-O 2.91Å; D72-N76 WeakPolarHBondContact OD1-CB 3.47Å; D72-N76 PolarHBondContact OD1-N 3.11Å; D72-N76 PolarHBondContact OD1-ND2 3.21Å; D72-N76 WeakPolarHBondContact OD2-CB 3.23Å; D72-N76 PolarHBondContact OD2-ND2 2.93Å; E74-N76 VanDerWaalsContact C-N 3.34Å; N76-Y78 HydrophobicContact CB-CE2 3.63Å; N76-Y78 WeakPolarHBondContact O-CD2 3.5Å; N76-Y78 VanDerWaalsContact O-CE2 3.27Å; N76-Y78 WeakPolarHBondContact O-CE2 3.31Å | ||
| 77 | C | 93 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 136.1 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 111.6 | G18 W19 R24 Y69 V70 W71 | G18-C77 VanDerWaalsContact O-CB 3.31Å; G18-C77 WeakPolarHBondContact O-CB 3.29Å; G18-C77 PolarHBondContact O-N 3.44Å; W19-C77 HydrophobicContact CB-CB 4.48Å; R24-C77 PolarHBondContact NE-O 2.57Å; R24-C77 PolarHBondContact NH2-O 2.8Å; Y69-C77 VanDerWaalsContact CD1-SG 3.5Å; V70-C77 CarbonylContact O-C 3.23Å; V70-C77 WeakPolarHBondContact O-CA 3.28Å; W71-C77 HydrophobicContact CG-CB 4.48Å |
| 78 | Y | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.3 | 179.7 | -55.1 | -102.5 | 0 | 0 | 0 | 111.6 | R24 Q26 V50 Y69 V70 D72 N76 R396 G399 L401 | R24-Y78 HydrophobicContact CB-CE1 4.38Å; R24-Y78 VanDerWaalsContact CD-CZ 3.49Å; R24-Y78 HydrophobicContact CG-CE1 4.38Å; Q26-Y78 PolarHBondContact NE2-OH 3.17Å; Q26-Y78 VanDerWaalsContact NE2-OH 3.11Å; V50-Y78 HydrophobicContact CG1-CE2 3.96Å; V50-Y78 HydrophobicContact CG2-CE1 4.47Å; Y69-Y78 VanDerWaalsContact CA-O 3.22Å; Y69-Y78 WeakPolarHBondContact CA-O 3.4Å; V70-Y78 PolarHBondContact N-O 2.96Å; V70-Y78 PolarHBondContact O-N 2.79Å; D72-Y78 HydrophobicContact CB-CE2 3.9Å; D72-Y78 PolarHBondContact OD2-OH 2.98Å; N76-Y78 HydrophobicContact CB-CE2 3.63Å; N76-Y78 WeakPolarHBondContact O-CD2 3.5Å; N76-Y78 VanDerWaalsContact O-CE2 3.27Å; N76-Y78 WeakPolarHBondContact O-CE2 3.31Å; Y78-R396 HydrophobicContact CE1-CG 3.85Å; Y78-R396 VanDerWaalsContact CE1-O 3.29Å; Y78-R396 WeakPolarHBondContact CE1-O 3.42Å; Y78-G399 CarbonylContact C-O 3.59Å; Y78-G399 VanDerWaalsContact CA-O 3.3Å; Y78-G399 WeakPolarHBondContact CA-O 3.38Å; Y78-L401 HydrophobicContact CD1-CD1 4.39Å; Y78-L401 HydrophobicContact CD1-CD2 3.54Å; Y78-L401 HydrophobicContact CD1-CG 3.87Å; Y78-L401 HydrophobicContact CE1-CD2 3.97Å; Y78-L401 HydrophobicContact CG-CD1 4.05Å; Y78-L401 HydrophobicContact CG-CD2 4.05Å; Y78-L401 HydrophobicContact CG-CG 3.95Å |
| 79 | M | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.8 | 161.6 | -68.4 | 170.4 | 176.4 | 0 | 0 | 109.3 | W19 I68 Y69 F81 G399 L401 E422 K425 A426 | W19-M79 HydrophobicContact CH2-CE 3.83Å; W19-M79 HydrophobicContact CH2-CG 4.24Å; W19-M79 HydrophobicContact CH2-SD 4.09Å; W19-M79 HydrophobicContact CZ3-CE 3.98Å; W19-M79 HydrophobicContact CZ3-CG 3.93Å; W19-M79 HydrophobicContact CZ3-SD 4.34Å; I68-M79 HydrophobicContact CD1-CE 4.47Å; I68-M79 HydrophobicContact CD1-CG 3.94Å; Y69-M79 HydrophobicContact CD1-CG 4.06Å; Y69-M79 HydrophobicContact CE1-CE 3.81Å; Y69-M79 HydrophobicContact CE1-CG 3.62Å; Y69-M79 WeakPolarHBondContact OH-CE 3.1Å; M79-F81 HydrophobicContact CB-CD2 4.03Å; M79-F81 HydrophobicContact CB-CE2 4.04Å; M79-F81 PolarHBondContact O-N 2.63Å; M79-G399 PolarHBondContact N-O 3.38Å; M79-L401 PolarHBondContact O-N 3.39Å; M79-E422 HydrophobicContact CE-CB 4.32Å; M79-K425 HydrophobicContact CE-CB 4.08Å; M79-K425 HydrophobicContact CE-CD 3.95Å; M79-K425 HydrophobicContact CE-CG 4.06Å; M79-A426 HydrophobicContact SD-CB 3.84Å |
| 80 | D | 96.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 107.1 | 175 | -179.6 | 9.1 | 0 | 0 | 0 | 110.5 | I68 V70 L82 S83 H92 P414 P415 | I68-D80 PolarHBondContact O-N 3.47Å; V70-D80 HydrophobicContact CG1-CB 4.42Å; V70-D80 HydrophobicContact CG2-CB 4.41Å; D80-L82 WeakPolarHBondContact OD1-CA 3.39Å; D80-L82 WeakPolarHBondContact OD1-CB 3.32Å; D80-L82 PolarHBondContact OD1-N 3.12Å; D80-S83 PolarHBondContact OD1-N 3.43Å; D80-S83 WeakPolarHBondContact OD2-CA 3.48Å; D80-S83 PolarHBondContact OD2-N 3.49Å; D80-H92 IonicContact OD2-CD2 3.05Å; D80-H92 IonicContact OD2-CE1 3.37Å; D80-H92 IonicContact OD2-NE2 2.77Å; D80-H92 PolarHBondContact OD2-NE2 2.95Å; D80-P414 WeakPolarHBondContact O-CA 3.43Å; D80-P415 WeakPolarHBondContact O-CD 3.34Å |
| 81 | F | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -104.1 | 14.9 | 174.7 | -92.2 | -113.1 | 0 | 0 | 0 | 112.2 | M79 F356 L400 L401 L412 A413 P414 I418 L423 A426 | M79-F81 HydrophobicContact CB-CD2 4.03Å; M79-F81 HydrophobicContact CB-CE2 4.04Å; M79-F81 PolarHBondContact O-N 2.63Å; F81-F356 HydrophobicContact CD1-CZ 4.17Å; F81-F356 HydrophobicContact CE1-CE1 4.26Å; F81-F356 HydrophobicContact CE1-CE2 4.14Å; F81-F356 AromaticContact CE1-CZ 3.73Å; F81-F356 HydrophobicContact CE1-CZ 3.73Å; F81-L400 HydrophobicContact CB-CD2 3.79Å; F81-L400 HydrophobicContact CB-CG 4.16Å; F81-L400 HydrophobicContact CD1-CD1 4.36Å; F81-L400 HydrophobicContact CD2-CD1 3.87Å; F81-L400 HydrophobicContact CD2-CD2 4.41Å; F81-L400 HydrophobicContact CD2-CG 3.87Å; F81-L400 HydrophobicContact CE2-CD1 4.08Å; F81-L400 HydrophobicContact CG-CD1 4.04Å; F81-L400 HydrophobicContact CG-CD2 4.04Å; F81-L400 HydrophobicContact CG-CG 4Å; F81-L400 HydrophobicContact CZ-CD1 4.43Å; F81-L401 CarbonylContact C-O 3.4Å; F81-L401 VanDerWaalsContact CA-O 3.25Å; F81-L401 WeakPolarHBondContact CA-O 3.44Å; F81-L401 VanDerWaalsContact CB-O 3.24Å; F81-L401 WeakPolarHBondContact CB-O 3.47Å; F81-L401 PolarHBondContact N-O 3.15Å; F81-L412 HydrophobicContact CB-CD2 4.33Å; F81-L412 HydrophobicContact CD1-CB 4.27Å; F81-L412 HydrophobicContact CD1-CD2 4.1Å; F81-L412 CarbonylContact O-C 3.59Å; F81-A413 CarbonylContact C-O 3.52Å; F81-A413 CarbonylContact O-C 3.58Å; F81-A413 PolarHBondContact O-N 3.37Å; F81-P414 HydrophobicContact CD1-CB 4.24Å; F81-P414 HydrophobicContact CD1-CG 4.18Å; F81-P414 HydrophobicContact CD2-CB 4.06Å; F81-P414 HydrophobicContact CE1-CB 4.18Å; F81-P414 HydrophobicContact CE1-CG 3.89Å; F81-P414 HydrophobicContact CE2-CB 3.99Å; F81-P414 HydrophobicContact CG-CB 4.17Å; F81-P414 HydrophobicContact CZ-CB 4.03Å; F81-P414 HydrophobicContact CZ-CG 4.05Å; F81-I418 HydrophobicContact CE2-CD1 3.92Å; F81-I418 HydrophobicContact CZ-CD1 3.7Å; F81-L423 HydrophobicContact CZ-CD1 4.43Å; F81-A426 HydrophobicContact CD2-CB 4.49Å; F81-A426 HydrophobicContact CE1-CB 4.05Å; F81-A426 HydrophobicContact CE2-CB 3.44Å; F81-A426 VanDerWaalsContact CE2-CB 3.44Å; F81-A426 HydrophobicContact CZ-CB 3.17Å |
| 82 | L | 96 | Very high | 95.1 | Very high | 31 Ų | 31 | 18.5 Ų | 18.5 | 16% | 0.162 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -103.7 | -35.1 | 168.7 | -171.3 | 62.1 | 0 | 0 | 0 | 111.7 | D80 A84 Y85 S86 L401 K403 A413 | D80-L82 WeakPolarHBondContact OD1-CA 3.39Å; D80-L82 WeakPolarHBondContact OD1-CB 3.32Å; D80-L82 PolarHBondContact OD1-N 3.12Å; L82-A84 PolarHBondContact O-N 3.48Å; L82-Y85 HydrophobicContact CD1-CD1 3.67Å; L82-Y85 HydrophobicContact CD1-CE1 3.67Å; L82-Y85 HydrophobicContact CD1-CG 4.44Å; L82-Y85 HydrophobicContact CD2-CD1 4.49Å; L82-Y85 HydrophobicContact CD2-CE1 4.09Å; L82-Y85 HydrophobicContact CD2-CE2 4.35Å; L82-Y85 HydrophobicContact CG-CD1 4.23Å; L82-Y85 HydrophobicContact CG-CE1 4.25Å; L82-Y85 PolarHBondContact O-N 2.7Å; L82-S86 PolarHBondContact O-N 3.06Å; L82-L401 PolarHBondContact N-O 3.12Å; L82-K403 HydrophobicContact CD1-CB 3.88Å; L82-K403 HydrophobicContact CD2-CB 4.03Å; L82-A413 CarbonylContact C-O 3.59Å; L82-A413 VanDerWaalsContact C-O 3.26Å |
| 83 | S | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | 48.5 | 39 | -173.9 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | D80 Y85 S86 A87 V88 R271 A413 | D80-S83 PolarHBondContact OD1-N 3.43Å; D80-S83 WeakPolarHBondContact OD2-CA 3.48Å; D80-S83 PolarHBondContact OD2-N 3.49Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.16Å; S83-S86 CarbonylContact O-C 3.54Å; S83-S86 PolarHBondContact O-N 3.39Å; S83-S86 VanDerWaalsContact O-N 3.17Å; S83-S86 WeakPolarHBondContact OG-CA 3.47Å; S83-S86 PolarHBondContact OG-N 3.19Å; S83-A87 PolarHBondContact O-N 2.91Å; S83-V88 PolarHBondContact O-N 3.06Å; S83-R271 PolarHBondContact OG-NH2 3.35Å; S83-A413 VanDerWaalsContact CB-O 3.24Å; S83-A413 WeakPolarHBondContact CB-O 3.42Å; S83-A413 PolarHBondContact N-O 2.88Å; S83-A413 PolarHBondContact OG-O 2.89Å |
| 84 | A | 94.4 | Very high | 95.1 | Very high | 49 Ų | 49 | 19.7 Ų | 19.7 | 41% | 0.405 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | 45.2 | 52.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L82 A87 V88 | L82-A84 PolarHBondContact O-N 3.48Å; A84-A87 HydrophobicContact CB-CB 4.18Å; A84-A87 WeakPolarHBondContact O-CB 3.18Å; A84-A87 PolarHBondContact O-N 2.87Å; A84-V88 HydrophobicContact CB-CG2 4.06Å |
| 85 | Y | 95.4 | Very high | 95.2 | Very high | 67 Ų | 67 | 18.8 Ų | 18.8 | 26% | 0.263 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | 62.6 | 41.3 | 179.8 | -50 | -74.1 | 0 | 0 | 0 | 113.5 | L82 S83 Q266 K292 R411 | L82-Y85 HydrophobicContact CD1-CD1 3.67Å; L82-Y85 HydrophobicContact CD1-CE1 3.67Å; L82-Y85 HydrophobicContact CD1-CG 4.44Å; L82-Y85 HydrophobicContact CD2-CD1 4.49Å; L82-Y85 HydrophobicContact CD2-CE1 4.09Å; L82-Y85 HydrophobicContact CD2-CE2 4.35Å; L82-Y85 HydrophobicContact CG-CD1 4.23Å; L82-Y85 HydrophobicContact CG-CE1 4.25Å; L82-Y85 PolarHBondContact O-N 2.7Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.16Å; Y85-Q266 PolarHBondContact O-NE2 2.87Å; Y85-K292 VanDerWaalsContact O-CD 3.3Å; Y85-K292 WeakPolarHBondContact O-CD 3.38Å; Y85-K292 PolarHBondContact O-NZ 2.91Å; Y85-K292 VanDerWaalsContact O-NZ 3.08Å; Y85-R411 VanDerWaalsContact CD1-NH1 3.28Å; Y85-R411 VanDerWaalsContact CE1-CZ 3.48Å |
| 86 | S | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | 72.6 | 20.4 | -174.5 | -46.8 | 0 | 0 | 0 | 0 | 115.4 | L82 S83 N89 R271 A293 | L82-S86 PolarHBondContact O-N 3.06Å; S83-S86 CarbonylContact O-C 3.54Å; S83-S86 PolarHBondContact O-N 3.39Å; S83-S86 VanDerWaalsContact O-N 3.17Å; S83-S86 WeakPolarHBondContact OG-CA 3.47Å; S83-S86 PolarHBondContact OG-N 3.19Å; S86-N89 PolarHBondContact O-OD1 3.41Å; S86-N89 VanDerWaalsContact O-OD1 3.08Å; S86-R271 PolarHBondContact OG-NE 3.27Å; S86-A293 WeakPolarHBondContact O-CB 3.31Å |
| 87 | A | 97.3 | Very high | 95.6 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 13% | 0.132 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -22.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S83 A84 K292 A293 G296 G297 | S83-A87 PolarHBondContact O-N 2.91Å; A84-A87 HydrophobicContact CB-CB 4.18Å; A84-A87 WeakPolarHBondContact O-CB 3.18Å; A84-A87 PolarHBondContact O-N 2.87Å; A87-K292 HydrophobicContact CB-CB 3.98Å; A87-K292 HydrophobicContact CB-CG 4.36Å; A87-A293 WeakPolarHBondContact O-CA 3.45Å; A87-G296 CarbonylContact O-C 3.41Å; A87-G297 WeakPolarHBondContact O-CA 3.38Å; A87-G297 PolarHBondContact O-N 2.76Å |
| 88 | V | 95.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | trans | -110.4 | 47.5 | -174.2 | -164.8 | 0 | 0 | 0 | 0 | 110.4 | S83 A84 Q90 G91 H92 P415 | S83-V88 PolarHBondContact O-N 3.06Å; A84-V88 HydrophobicContact CB-CG2 4.06Å; V88-Q90 PolarHBondContact O-N 3.4Å; V88-G91 PolarHBondContact O-N 2.84Å; V88-G91 VanDerWaalsContact O-N 3.11Å; V88-H92 HydrophobicContact CG1-CB 4.49Å; V88-P415 VanDerWaalsContact O-CB 3.28Å; V88-P415 WeakPolarHBondContact O-CB 3.3Å | ||
| 89 | N | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -38.7 | -179.3 | -76.9 | 4.6 | 0 | 0 | 0 | 111.8 | S86 G91 L269 R271 A293 L416 | S86-N89 PolarHBondContact O-OD1 3.41Å; S86-N89 VanDerWaalsContact O-OD1 3.08Å; N89-G91 PolarHBondContact O-N 3.44Å; N89-L269 PolarHBondContact ND2-O 3.06Å; N89-R271 VanDerWaalsContact OD1-CZ 3.3Å; N89-R271 PolarHBondContact OD1-NE 3.35Å; N89-R271 VanDerWaalsContact OD1-NE 3.15Å; N89-R271 PolarHBondContact OD1-NH2 3.12Å; N89-A293 HydrophobicContact CB-CB 3.73Å; N89-A293 VanDerWaalsContact CG-CB 3.48Å; N89-A293 WeakPolarHBondContact ND2-CB 3.16Å; N89-L416 HydrophobicContact CB-CD1 3.8Å; N89-L416 HydrophobicContact CB-CG 3.81Å; N89-L416 WeakPolarHBondContact O-CA 3.42Å; N89-L416 WeakPolarHBondContact O-CB 3.35Å; N89-L416 PolarHBondContact O-N 3.35Å |
| 90 | Q | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -1.3 | -177.9 | -61.6 | 85.8 | -21.6 | 0 | 0 | 113.2 | V88 H94 I97 A293 A336 V339 L345 V417 | V88-Q90 PolarHBondContact O-N 3.4Å; Q90-H94 HydrophobicContact CB-CB 4.4Å; Q90-H94 PolarHBondContact O-CD2 2.98Å; Q90-I97 HydrophobicContact CB-CD1 3.75Å; Q90-I97 HydrophobicContact CG-CD1 3.87Å; Q90-A293 PolarHBondContact NE2-O 3.11Å; Q90-A336 PolarHBondContact NE2-O 3.04Å; Q90-V339 HydrophobicContact CB-CG1 3.9Å; Q90-V339 HydrophobicContact CG-CB 4.19Å; Q90-V339 HydrophobicContact CG-CG1 3.61Å; Q90-L345 HydrophobicContact CG-CD1 4.07Å; Q90-V417 WeakPolarHBondContact O-CG1 3.28Å |
| 91 | G | 95.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | trans | 86.3 | 153.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | G67 V88 N89 C93 | G67-G91 CarbonylContact O-C 3.58Å; G67-G91 VanDerWaalsContact O-CA 3.26Å; G67-G91 WeakPolarHBondContact O-CA 3.31Å; V88-G91 PolarHBondContact O-N 2.84Å; V88-G91 VanDerWaalsContact O-N 3.11Å; N89-G91 PolarHBondContact O-N 3.44Å; G91-C93 PolarHBondContact O-N 2.83Å | ||
| 92 | H | 94.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 16% | 0.162 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 131 | -176.5 | -75.6 | -82.6 | 0 | 0 | 0 | 110.9 | K56 G57 G67 V70 D80 V88 H94 | K56-H92 CarbonylContact C-O 3.48Å; K56-H92 VanDerWaalsContact C-O 3.23Å; G57-H92 WeakPolarHBondContact CA-O 3.41Å; G57-H92 PolarHBondContact N-O 3.12Å; G67-H92 PolarHBondContact O-CD2 3.14Å; G67-H92 PolarHBondContact O-N 3.25Å; V70-H92 WeakPolarHBondContact CG1-NE2 3.35Å; D80-H92 IonicContact OD2-CD2 3.05Å; D80-H92 IonicContact OD2-CE1 3.37Å; D80-H92 IonicContact OD2-NE2 2.77Å; D80-H92 PolarHBondContact OD2-NE2 2.95Å; V88-H92 HydrophobicContact CG1-CB 4.49Å; H92-H94 VanDerWaalsContact C-N 3.31Å; H92-H94 PolarHBondContact O-N 2.81Å |
| 93 | C | 94.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 41.1 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 114.6 | G57 G91 I98 | G57-C93 WeakPolarHBondContact CA-O 3.35Å; G91-C93 PolarHBondContact O-N 2.83Å; C93-I98 HydrophobicContact CB-CG1 4.19Å |
| 94 | H | 94.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | trans | -51.1 | 124.1 | 179.8 | -166.7 | -88.5 | 0 | 0 | 0 | 112 | Q90 H92 R96 I97 I98 V339 E343 | Q90-H94 HydrophobicContact CB-CB 4.4Å; Q90-H94 PolarHBondContact O-CD2 2.98Å; H92-H94 VanDerWaalsContact C-N 3.31Å; H92-H94 PolarHBondContact O-N 2.81Å; H94-R96 VanDerWaalsContact C-N 3.31Å; H94-R96 PolarHBondContact O-N 2.93Å; H94-I97 HydrophobicContact CB-CB 4.29Å; H94-I97 HydrophobicContact CB-CD1 3.82Å; H94-I97 HydrophobicContact CB-CG1 3.98Å; H94-I97 PolarHBondContact O-N 3.34Å; H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.44Å; H94-V339 VanDerWaalsContact CE1-CG2 3.49Å; H94-V339 WeakPolarHBondContact CE1-CG2 3.44Å; H94-E343 IonicContact CE1-OE1 2.74Å; H94-E343 PolarHBondContact CE1-OE1 3.4Å; H94-E343 IonicContact NE2-OE1 3.29Å; H94-E343 PolarHBondContact NE2-OE1 2.66Å; H94-E343 VanDerWaalsContact NE2-OE1 3.14Å; H94-E343 IonicContact NE2-OE2 2.94Å | ||
| 95 | P | 93.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -40.8 | -166.2 | 23.8 | -37.2 | 0 | 0 | 0 | 112.9 | I58 T60 I97 E99 | I58-P95 VanDerWaalsContact O-CD 3.27Å; I58-P95 WeakPolarHBondContact O-CD 3.36Å; I58-P95 WeakPolarHBondContact O-CG 3.34Å; T60-P95 HydrophobicContact CG2-CB 4.36Å; T60-P95 HydrophobicContact CG2-CG 4.11Å; P95-I97 VanDerWaalsContact C-N 3.33Å; P95-I97 PolarHBondContact O-N 2.93Å; P95-E99 VanDerWaalsContact O-CB 3.29Å; P95-E99 WeakPolarHBondContact O-CB 3.42Å; P95-E99 PolarHBondContact O-N 3.13Å |
| 96 | R | 95.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -33.4 | 179 | -64.7 | 174.7 | 56 | -172.3 | 6 | 113.2 | H94 A100 V339 E342 E343 | H94-R96 VanDerWaalsContact C-N 3.31Å; H94-R96 PolarHBondContact O-N 2.93Å; R96-A100 PolarHBondContact O-N 2.84Å; R96-V339 HydrophobicContact CB-CG2 4.03Å; R96-E342 IonicContact CZ-OE2 2.69Å; R96-E342 IonicContact NH1-OE2 3.94Å; R96-E342 PolarHBondContact NH1-OE2 3.29Å; R96-E342 IonicContact NH2-OE1 3.89Å; R96-E342 PolarHBondContact NH2-OE1 3.5Å; R96-E342 IonicContact NH2-OE2 3.51Å; R96-E342 PolarHBondContact NH2-OE2 3.05Å; R96-E343 IonicContact NH1-OE1 3.75Å |
| 97 | I | 97 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.4 | -42 | -179.3 | -54.1 | 178.7 | 0 | 0 | 0 | 109.6 | Q90 H94 P95 E99 A100 L101 V298 V332 A335 A336 V339 | Q90-I97 HydrophobicContact CB-CD1 3.75Å; Q90-I97 HydrophobicContact CG-CD1 3.87Å; H94-I97 HydrophobicContact CB-CB 4.29Å; H94-I97 HydrophobicContact CB-CD1 3.82Å; H94-I97 HydrophobicContact CB-CG1 3.98Å; H94-I97 PolarHBondContact O-N 3.34Å; P95-I97 VanDerWaalsContact C-N 3.33Å; P95-I97 PolarHBondContact O-N 2.93Å; I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.15Å; I97-A100 PolarHBondContact O-N 3.23Å; I97-L101 PolarHBondContact O-N 3.37Å; I97-V298 HydrophobicContact CG2-CB 4.36Å; I97-V298 HydrophobicContact CG2-CG2 3.65Å; I97-V332 HydrophobicContact CG2-CG1 3.84Å; I97-A335 HydrophobicContact CG1-CB 4.47Å; I97-A336 HydrophobicContact CD1-CB 3.81Å; I97-A336 HydrophobicContact CG1-CB 4.39Å; I97-V339 HydrophobicContact CG1-CG2 4.16Å |
| 98 | I | 97.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175 | -63.3 | -58 | 0 | 0 | 0 | 111.5 | C93 H94 L101 K102 V298 | C93-I98 HydrophobicContact CB-CG1 4.19Å; H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.44Å; I98-L101 WeakPolarHBondContact O-CB 3.3Å; I98-L101 PolarHBondContact O-N 2.99Å; I98-K102 HydrophobicContact CG2-CD 4.28Å; I98-K102 HydrophobicContact CG2-CG 4.48Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 3.04Å; I98-V298 HydrophobicContact CD1-CG1 4.19Å; I98-V298 HydrophobicContact CD1-CG2 3.97Å |
| 99 | E | 97.7 | Very high | 96.9 | Very high | 107 Ų | 107 | 52.8 Ų | 52.8 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 173.3 | -172.7 | 60.1 | -162.9 | 0 | 0 | 111.3 | P95 I97 L101 K102 T103 | P95-E99 VanDerWaalsContact O-CB 3.29Å; P95-E99 WeakPolarHBondContact O-CB 3.42Å; P95-E99 PolarHBondContact O-N 3.13Å; I97-E99 VanDerWaalsContact C-N 3.31Å; I97-E99 PolarHBondContact O-N 3.15Å; E99-L101 VanDerWaalsContact C-N 3.29Å; E99-L101 PolarHBondContact O-N 3.45Å; E99-K102 PolarHBondContact O-N 3.22Å; E99-T103 WeakPolarHBondContact O-CB 3.33Å; E99-T103 PolarHBondContact O-N 2.93Å; E99-T103 PolarHBondContact O-OG1 2.96Å; E99-T103 VanDerWaalsContact O-OG1 3.09Å; E99-T103 PolarHBondContact OE1-OG1 2.79Å |
| 100 | A | 98.4 | Very high | 97 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R96 I97 Q104 A335 | R96-A100 PolarHBondContact O-N 2.84Å; I97-A100 PolarHBondContact O-N 3.23Å; A100-Q104 VanDerWaalsContact O-CB 3.3Å; A100-Q104 WeakPolarHBondContact O-CB 3.35Å; A100-Q104 PolarHBondContact O-N 3.19Å; A100-Q104 VanDerWaalsContact O-N 3.12Å; A100-A335 HydrophobicContact CB-CB 3.54Å |
| 101 | L | 98.4 | Very high | 97 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.7 | -54.6 | 173 | 178.9 | 79.3 | 0 | 0 | 0 | 111 | I97 I98 E99 S105 V298 L299 L328 V332 | I97-L101 PolarHBondContact O-N 3.37Å; I98-L101 WeakPolarHBondContact O-CB 3.3Å; I98-L101 PolarHBondContact O-N 2.99Å; E99-L101 VanDerWaalsContact C-N 3.29Å; E99-L101 PolarHBondContact O-N 3.45Å; L101-S105 WeakPolarHBondContact O-CB 3.09Å; L101-S105 PolarHBondContact O-N 2.89Å; L101-S105 PolarHBondContact O-OG 2.84Å; L101-V298 HydrophobicContact CB-CG1 4.37Å; L101-V298 HydrophobicContact CD1-CG1 4.02Å; L101-V298 HydrophobicContact CD2-CG1 3.75Å; L101-V298 HydrophobicContact CG-CG1 4.27Å; L101-L299 HydrophobicContact CD1-CD1 3.74Å; L101-L299 HydrophobicContact CD1-CD2 4.35Å; L101-L299 HydrophobicContact CD1-CG 4.09Å; L101-L328 HydrophobicContact CD1-CD1 3.91Å; L101-L328 HydrophobicContact CD1-CD2 4.12Å; L101-L328 HydrophobicContact CD1-CG 4.11Å; L101-L328 WeakPolarHBondContact O-CD1 3.37Å; L101-V332 HydrophobicContact CB-CG2 3.83Å; L101-V332 HydrophobicContact CD1-CG2 3.78Å; L101-V332 HydrophobicContact CG-CG2 4.45Å |
| 102 | K | 98.4 | Very high | 96.9 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59 | -55.1 | -176.8 | -73.2 | 175.7 | 176.9 | -176.9 | 0 | 111.2 | I98 E99 Q104 S105 E106 | I98-K102 HydrophobicContact CG2-CD 4.28Å; I98-K102 HydrophobicContact CG2-CG 4.48Å; I98-K102 WeakPolarHBondContact O-CG 3.32Å; I98-K102 PolarHBondContact O-N 3.04Å; E99-K102 PolarHBondContact O-N 3.22Å; K102-Q104 PolarHBondContact O-N 2.74Å; K102-S105 PolarHBondContact O-N 2.88Å; K102-S105 VanDerWaalsContact O-N 3.12Å; K102-S105 PolarHBondContact O-OG 3.26Å; K102-E106 PolarHBondContact O-N 3.24Å; K102-E106 VanDerWaalsContact O-N 3.15Å |
| 103 | T | 98.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 63.6 Ų | 63.6 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | -177.7 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | E99 E106 T107 | E99-T103 WeakPolarHBondContact O-CB 3.33Å; E99-T103 PolarHBondContact O-N 2.93Å; E99-T103 PolarHBondContact O-OG1 2.96Å; E99-T103 VanDerWaalsContact O-OG1 3.09Å; E99-T103 PolarHBondContact OE1-OG1 2.79Å; T103-E106 PolarHBondContact O-N 3.28Å; T103-T107 PolarHBondContact O-N 3.03Å; T103-T107 PolarHBondContact O-OG1 2.73Å |
| 104 | Q | 98.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -32 | 179.4 | -172.8 | 58.3 | 46.6 | 0 | 0 | 112.2 | A100 K102 E106 T107 L108 L328 K331 | A100-Q104 VanDerWaalsContact O-CB 3.3Å; A100-Q104 WeakPolarHBondContact O-CB 3.35Å; A100-Q104 PolarHBondContact O-N 3.19Å; A100-Q104 VanDerWaalsContact O-N 3.12Å; K102-Q104 PolarHBondContact O-N 2.74Å; Q104-E106 VanDerWaalsContact C-N 3.26Å; Q104-E106 PolarHBondContact O-N 3.25Å; Q104-T107 PolarHBondContact O-N 3.34Å; Q104-L108 PolarHBondContact NE2-O 3.1Å; Q104-L108 PolarHBondContact O-N 3.24Å; Q104-L328 HydrophobicContact CB-CD1 3.86Å; Q104-L328 HydrophobicContact CG-CB 4.48Å; Q104-L328 HydrophobicContact CG-CD1 4.07Å; Q104-K331 HydrophobicContact CB-CB 3.96Å; Q104-K331 HydrophobicContact CB-CG 4.15Å; Q104-K331 HydrophobicContact CG-CB 3.97Å; Q104-K331 HydrophobicContact CG-CG 3.8Å |
| 105 | S | 98.2 | Very high | 97 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 39% | 0.392 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.9 | -29 | 178.1 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | L101 K102 T107 | L101-S105 WeakPolarHBondContact O-CB 3.09Å; L101-S105 PolarHBondContact O-N 2.89Å; L101-S105 PolarHBondContact O-OG 2.84Å; K102-S105 PolarHBondContact O-N 2.88Å; K102-S105 VanDerWaalsContact O-N 3.12Å; K102-S105 PolarHBondContact O-OG 3.26Å; S105-T107 VanDerWaalsContact C-N 3.29Å |
| 106 | E | 98.2 | Very high | 97.2 | Very high | 169 Ų | 169 | 81.2 Ų | 81.2 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -8 | 174 | -66.6 | 176.4 | 172.5 | 0 | 0 | 112.8 | K102 T103 Q104 | K102-E106 PolarHBondContact O-N 3.24Å; K102-E106 VanDerWaalsContact O-N 3.15Å; T103-E106 PolarHBondContact O-N 3.28Å; Q104-E106 VanDerWaalsContact C-N 3.26Å; Q104-E106 PolarHBondContact O-N 3.25Å |
| 107 | T | 98.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 78.1 Ų | 78.1 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -63.9 | -178.3 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | T103 Q104 S105 | T103-T107 PolarHBondContact O-N 3.03Å; T103-T107 PolarHBondContact O-OG1 2.73Å; Q104-T107 PolarHBondContact O-N 3.34Å; S105-T107 VanDerWaalsContact C-N 3.29Å |
| 108 | L | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 83.7 Ų | 83.7 | 40% | 0.398 | 44% | 0.435 | S | S | . | . | trans | -166.4 | 128.9 | -176.8 | -174.5 | 62.9 | 0 | 0 | 0 | 110.2 | Q104 T111 P327 | Q104-L108 PolarHBondContact NE2-O 3.1Å; Q104-L108 PolarHBondContact O-N 3.24Å; L108-T111 HydrophobicContact CD1-CG2 4.09Å; L108-T111 HydrophobicContact CD2-CG2 3.6Å; L108-T111 HydrophobicContact CG-CG2 3.99Å; L108-P327 HydrophobicContact CD2-CG 4.31Å; L108-P327 HydrophobicContact CG-CG 4.32Å | ||
| 109 | T | 98.2 | Very high | 97.3 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 40% | 0.399 | 43% | 0.426 | S | S | . | . | trans | -105.6 | -44.3 | -173.3 | 58.5 | 0 | 0 | 0 | 0 | 114 | N326 P327 L328 | T109-N326 PolarHBondContact O-OD1 2.89Å; T109-P327 WeakPolarHBondContact O-CD 3.4Å; T109-L328 HydrophobicContact CG2-CD2 4.25Å; T109-L328 PolarHBondContact O-N 3Å | ||
| 110 | L | 97.8 | Very high | 97.3 | Very high | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | trans | -146.9 | 132.5 | -172.1 | -178.4 | 66.2 | 0 | 0 | 0 | 111 | T322 Y323 N326 | L110-T322 WeakPolarHBondContact CD1-O 3.18Å; L110-Y323 HydrophobicContact CD1-CD1 4.03Å; L110-Y323 HydrophobicContact CD2-CD1 4.11Å; L110-Y323 HydrophobicContact CD2-CE1 3.75Å; L110-N326 HydrophobicContact CD1-CB 3.69Å | ||
| 111 | T | 96.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 78.5 Ų | 78.5 | 19% | 0.19 | 42% | 0.418 | C | S | . | . | trans | -127.9 | 3.3 | 175.8 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | L108 F115 N117 P327 | L108-T111 HydrophobicContact CD1-CG2 4.09Å; L108-T111 HydrophobicContact CD2-CG2 3.6Å; L108-T111 HydrophobicContact CG-CG2 3.99Å; T111-F115 WeakPolarHBondContact O-CD2 3.24Å; T111-N117 HydrophobicContact CG2-CB 4.3Å; T111-P327 HydrophobicContact CG2-CG 4.34Å | ||
| 112 | S | 93.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 80.6 Ų | 80.6 | 33% | 0.329 | 43% | 0.427 | S | S | . | . | trans | 56 | -174.2 | -157 | 83.8 | 0 | 0 | 0 | 0 | 112.6 | A114 | S112-A114 VanDerWaalsContact OG-CB 3.3Å; S112-A114 WeakPolarHBondContact OG-CB 3.35Å; S112-A114 PolarHBondContact OG-N 3.31Å | ||
| 113 | R | 94.3 | Very high | 97.3 | Very high | 121 Ų | 121 | 75.2 Ų | 75.2 | 46% | 0.457 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -95.5 | 4.9 | 168.5 | -62.6 | -167.7 | 71.4 | -172.9 | 6.7 | 113.6 | F115 E124 | R113-F115 VanDerWaalsContact C-N 3.27Å; R113-E124 IonicContact NH2-OE1 2.72Å |
| 114 | A | 94.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 74.2 Ų | 74.2 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -73 | -21.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S112 | S112-A114 VanDerWaalsContact OG-CB 3.3Å; S112-A114 WeakPolarHBondContact OG-CB 3.35Å; S112-A114 PolarHBondContact OG-N 3.31Å |
| 115 | F | 96.8 | Very high | 97.4 | Very high | 150 Ų | 150 | 78.4 Ų | 78.4 | 66% | 0.658 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -122.3 | 141.8 | 176.4 | -53.4 | -69.1 | 0 | 0 | 0 | 110 | T111 R113 | T111-F115 WeakPolarHBondContact O-CD2 3.24Å; R113-F115 VanDerWaalsContact C-N 3.27Å |
| 116 | Y | 96.9 | Very high | 97.4 | Very high | 242 Ų | 242 | 78 Ų | 78 | 95% | 0.949 | 41% | 0.406 | S | S | * | . | trans | -61.5 | 141.9 | 165 | -75.2 | -77.4 | 0 | 0 | 0 | 109.9 | ||||
| 117 | N | 97.1 | Very high | 97.4 | Very high | 20 Ų | 20 | 70 Ų | 70 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | trans | -128 | 155.6 | 166.4 | 71 | 76.9 | 0 | 0 | 0 | 108.4 | T111 C119 L120 P327 | T111-N117 HydrophobicContact CG2-CB 4.3Å; N117-C119 PolarHBondContact O-N 3.14Å; N117-C119 PolarHBondContact OD1-N 3.29Å; N117-L120 PolarHBondContact OD1-N 3.27Å; N117-P327 HydrophobicContact CB-CG 3.94Å | ||
| 118 | V | 97.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 66 Ų | 66 | 71% | 0.709 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.8 | -15.2 | -174.4 | -61.2 | 0 | 0 | 0 | 0 | 113.8 | E122 | V118-E122 WeakPolarHBondContact O-CG 3.46Å |
| 119 | C | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -94.4 | -31.8 | -171.8 | -59 | 0 | 0 | 0 | 0 | 113.4 | N117 F123 P327 C330 K331 | N117-C119 PolarHBondContact O-N 3.14Å; N117-C119 PolarHBondContact OD1-N 3.29Å; C119-F123 PolarHBondContact O-N 3.33Å; C119-P327 HydrophobicContact CB-CB 4.07Å; C119-C330 HydrophobicContact CB-CB 4.05Å; C119-K331 HydrophobicContact CB-CG 4.37Å; C119-K331 WeakPolarHBondContact SG-CE 3.45Å |
| 120 | L | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66 | -50.7 | -173.5 | 176.6 | 57.4 | 0 | 0 | 0 | 111.6 | N117 E122 F123 E124 P138 | N117-L120 PolarHBondContact OD1-N 3.27Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-E122 PolarHBondContact O-N 3.46Å; L120-F123 PolarHBondContact O-N 3.04Å; L120-F123 VanDerWaalsContact O-N 3.16Å; L120-E124 HydrophobicContact CD1-CG 3.96Å; L120-E124 WeakPolarHBondContact CD1-OE1 3.4Å; L120-E124 HydrophobicContact CG-CG 4.37Å; L120-E124 WeakPolarHBondContact O-CG 3.48Å; L120-E124 PolarHBondContact O-N 3.2Å; L120-P138 HydrophobicContact CD1-CG 3.93Å |
| 121 | G | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E124 E125 | G121-E124 PolarHBondContact O-N 3.49Å; G121-E125 WeakPolarHBondContact O-CB 3.46Å; G121-E125 PolarHBondContact O-N 3.38Å |
| 122 | E | 98.5 | Very high | 97.6 | Very high | 84 Ų | 84 | 66.3 Ų | 66.3 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.2 | -69.9 | 179.8 | 171.9 | 0 | 0 | 112 | V118 L120 M126 K331 M334 | V118-E122 WeakPolarHBondContact O-CG 3.46Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-E122 PolarHBondContact O-N 3.46Å; E122-M126 WeakPolarHBondContact O-CB 3.44Å; E122-M126 PolarHBondContact O-N 3.3Å; E122-K331 IonicContact OE2-NZ 3.9Å; E122-K331 PolarHBondContact OE2-NZ 2.99Å; E122-M334 HydrophobicContact CB-CE 4.09Å; E122-M334 HydrophobicContact CB-SD 4.06Å |
| 123 | F | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 176.8 | 171.3 | -115.6 | 0 | 0 | 0 | 111.7 | C119 L120 E125 M126 A127 P138 L294 C330 A333 M334 L337 | C119-F123 PolarHBondContact O-N 3.33Å; L120-F123 PolarHBondContact O-N 3.04Å; L120-F123 VanDerWaalsContact O-N 3.16Å; F123-E125 VanDerWaalsContact C-N 3.35Å; F123-E125 PolarHBondContact O-N 3.32Å; F123-M126 PolarHBondContact O-N 3.26Å; F123-A127 HydrophobicContact CE2-CB 4.38Å; F123-A127 WeakPolarHBondContact O-CB 3.35Å; F123-A127 PolarHBondContact O-N 2.7Å; F123-P138 HydrophobicContact CD1-CG 3.99Å; F123-P138 HydrophobicContact CE1-CB 4.09Å; F123-P138 HydrophobicContact CE1-CG 3.74Å; F123-L294 HydrophobicContact CE2-CD1 4.47Å; F123-L294 HydrophobicContact CZ-CD1 4.41Å; F123-L294 HydrophobicContact CZ-CD2 4.38Å; F123-C330 HydrophobicContact CB-CB 3.78Å; F123-C330 HydrophobicContact CG-CB 4.2Å; F123-A333 HydrophobicContact CD2-CB 4.12Å; F123-A333 HydrophobicContact CE2-CB 3.55Å; F123-A333 HydrophobicContact CZ-CB 4.02Å; F123-M334 HydrophobicContact CB-CE 4.15Å; F123-M334 HydrophobicContact CB-CG 4.07Å; F123-M334 HydrophobicContact CB-SD 4.26Å; F123-M334 HydrophobicContact CD2-CG 3.79Å; F123-M334 HydrophobicContact CG-CG 4.43Å; F123-L337 HydrophobicContact CE2-CD1 4.17Å |
| 124 | E | 98.8 | Very high | 98.1 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 23% | 0.229 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 177.4 | -72.2 | 171.3 | 164.8 | 0 | 0 | 110.9 | R113 L120 G121 A128 V136 P138 | R113-E124 IonicContact NH2-OE1 2.72Å; L120-E124 HydrophobicContact CD1-CG 3.96Å; L120-E124 WeakPolarHBondContact CD1-OE1 3.4Å; L120-E124 HydrophobicContact CG-CG 4.37Å; L120-E124 WeakPolarHBondContact O-CG 3.48Å; L120-E124 PolarHBondContact O-N 3.2Å; G121-E124 PolarHBondContact O-N 3.49Å; E124-A128 WeakPolarHBondContact O-CB 3.33Å; E124-A128 PolarHBondContact O-N 3.37Å; E124-V136 HydrophobicContact CG-CB 4.36Å; E124-P138 HydrophobicContact CG-CG 4.49Å |
| 125 | E | 98.7 | Very high | 98.3 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 176.5 | -177.8 | -177.9 | -161 | 0 | 0 | 112 | G121 F123 K129 | G121-E125 WeakPolarHBondContact O-CB 3.46Å; G121-E125 PolarHBondContact O-N 3.38Å; F123-E125 VanDerWaalsContact C-N 3.35Å; F123-E125 PolarHBondContact O-N 3.32Å; E125-K129 HydrophobicContact CG-CD 4.11Å; E125-K129 WeakPolarHBondContact O-CB 3.38Å; E125-K129 WeakPolarHBondContact O-CG 3.34Å; E125-K129 PolarHBondContact O-N 3.25Å; E125-K129 WeakPolarHBondContact OE1-CE 3.41Å; E125-K129 IonicContact OE1-NZ 3.41Å; E125-K129 PolarHBondContact OE1-NZ 2.59Å |
| 126 | M | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 180 | -178.6 | -178.7 | -65.4 | 0 | 0 | 111.5 | E122 F123 M130 M334 | E122-M126 WeakPolarHBondContact O-CB 3.44Å; E122-M126 PolarHBondContact O-N 3.3Å; F123-M126 PolarHBondContact O-N 3.26Å; M126-M130 WeakPolarHBondContact O-CB 3.4Å; M126-M130 PolarHBondContact O-N 3.29Å; M126-M334 HydrophobicContact CE-CB 4.09Å; M126-M334 HydrophobicContact CE-CG 3.92Å; M126-M334 HydrophobicContact CE-SD 3.81Å; M126-M334 HydrophobicContact SD-CB 3.88Å; M126-M334 HydrophobicContact SD-CG 3.7Å; M126-M334 HydrophobicContact SD-SD 4.35Å |
| 127 | A | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F123 K129 M130 F131 V136 | F123-A127 HydrophobicContact CE2-CB 4.38Å; F123-A127 WeakPolarHBondContact O-CB 3.35Å; F123-A127 PolarHBondContact O-N 2.7Å; A127-K129 PolarHBondContact O-N 3.23Å; A127-M130 PolarHBondContact O-N 3.09Å; A127-F131 HydrophobicContact CB-CD2 4.41Å; A127-F131 WeakPolarHBondContact O-CD2 3.27Å; A127-F131 PolarHBondContact O-N 2.83Å; A127-V136 HydrophobicContact CB-CG1 4.37Å; A127-V136 HydrophobicContact CB-CG2 3.87Å |
| 128 | A | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.5 | -50.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E124 G132 Y133 V136 | E124-A128 WeakPolarHBondContact O-CB 3.33Å; E124-A128 PolarHBondContact O-N 3.37Å; A128-G132 WeakPolarHBondContact O-CA 3.23Å; A128-G132 PolarHBondContact O-N 3.4Å; A128-Y133 VanDerWaalsContact CB-O 3.3Å; A128-Y133 WeakPolarHBondContact CB-O 3.15Å; A128-Y133 PolarHBondContact O-N 3.27Å; A128-Y133 VanDerWaalsContact O-N 3.09Å; A128-V136 HydrophobicContact CB-CG2 4.11Å |
| 129 | K | 98.6 | Very high | 98.6 | Very high | 150 Ų | 150 | 39.4 Ų | 39.4 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.3 | -42.6 | 178.6 | -71.1 | 179.7 | -175.8 | 174.5 | 0 | 112.8 | E125 A127 F131 | E125-K129 HydrophobicContact CG-CD 4.11Å; E125-K129 WeakPolarHBondContact O-CB 3.38Å; E125-K129 WeakPolarHBondContact O-CG 3.34Å; E125-K129 PolarHBondContact O-N 3.25Å; E125-K129 WeakPolarHBondContact OE1-CE 3.41Å; E125-K129 IonicContact OE1-NZ 3.41Å; E125-K129 PolarHBondContact OE1-NZ 2.59Å; A127-K129 PolarHBondContact O-N 3.23Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.98Å |
| 130 | M | 98.4 | Very high | 98.6 | Very high | 35 Ų | 35 | 40.5 Ų | 40.5 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | -177.1 | 177.5 | 175.3 | -71.7 | 0 | 0 | 112.8 | M126 A127 R275 L337 E341 | M126-M130 WeakPolarHBondContact O-CB 3.4Å; M126-M130 PolarHBondContact O-N 3.29Å; A127-M130 PolarHBondContact O-N 3.09Å; M130-R275 PolarHBondContact O-NH1 3.39Å; M130-L337 HydrophobicContact CE-CB 4.09Å; M130-L337 HydrophobicContact SD-CB 4.16Å; M130-L337 HydrophobicContact SD-CD1 4.3Å; M130-L337 HydrophobicContact SD-CD2 3.99Å; M130-L337 HydrophobicContact SD-CG 4.38Å; M130-E341 HydrophobicContact CE-CG 3.63Å; M130-E341 HydrophobicContact SD-CG 4.39Å |
| 131 | F | 98.5 | Very high | 98.6 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -103.5 | -7 | -176.1 | -62.2 | -71.1 | 0 | 0 | 0 | 113.7 | A127 K129 Y133 L269 R275 L276 L290 L305 L337 | A127-F131 HydrophobicContact CB-CD2 4.41Å; A127-F131 WeakPolarHBondContact O-CD2 3.27Å; A127-F131 PolarHBondContact O-N 2.83Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 2.98Å; F131-Y133 HydrophobicContact CB-CD2 3.95Å; F131-Y133 HydrophobicContact CB-CE2 4.26Å; F131-Y133 WeakPolarHBondContact O-CD2 3.41Å; F131-Y133 WeakPolarHBondContact O-CE2 3.3Å; F131-L269 HydrophobicContact CE1-CD2 4.17Å; F131-L269 HydrophobicContact CZ-CD2 3.63Å; F131-R275 HydrophobicContact CD1-CG 4.27Å; F131-R275 HydrophobicContact CE1-CG 3.73Å; F131-L276 HydrophobicContact CD1-CD1 3.99Å; F131-L276 HydrophobicContact CD1-CD2 3.86Å; F131-L276 HydrophobicContact CD1-CG 3.95Å; F131-L276 HydrophobicContact CE1-CD2 3.74Å; F131-L276 HydrophobicContact CE1-CG 4.18Å; F131-L290 HydrophobicContact CD1-CD1 4.4Å; F131-L290 HydrophobicContact CD2-CD1 3.91Å; F131-L290 HydrophobicContact CE1-CD1 3.99Å; F131-L290 HydrophobicContact CE2-CD1 3.5Å; F131-L290 VanDerWaalsContact CE2-CD1 3.5Å; F131-L290 HydrophobicContact CG-CD1 4.37Å; F131-L290 HydrophobicContact CZ-CD1 3.55Å; F131-L305 HydrophobicContact CB-CD2 3.61Å; F131-L305 HydrophobicContact CD2-CD2 3.64Å; F131-L305 HydrophobicContact CG-CD2 3.91Å; F131-L337 HydrophobicContact CE2-CD1 4.47Å; F131-L337 HydrophobicContact CE2-CD2 4.23Å; F131-L337 HydrophobicContact CZ-CD2 4.01Å |
| 132 | G | 98.4 | Very high | 98.6 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 50.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A128 R284 | A128-G132 WeakPolarHBondContact O-CA 3.23Å; A128-G132 PolarHBondContact O-N 3.4Å; G132-R284 PolarHBondContact O-NE 2.94Å; G132-R284 VanDerWaalsContact O-NE 3.16Å; G132-R284 PolarHBondContact O-NH2 2.98Å |
| 133 | Y | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -129.5 | 154.8 | 175.1 | -70.4 | -85.9 | 0 | 0 | 0 | 110.9 | A128 F131 P285 V288 L305 | A128-Y133 VanDerWaalsContact CB-O 3.3Å; A128-Y133 WeakPolarHBondContact CB-O 3.15Å; A128-Y133 PolarHBondContact O-N 3.27Å; A128-Y133 VanDerWaalsContact O-N 3.09Å; F131-Y133 HydrophobicContact CB-CD2 3.95Å; F131-Y133 HydrophobicContact CB-CE2 4.26Å; F131-Y133 WeakPolarHBondContact O-CD2 3.41Å; F131-Y133 WeakPolarHBondContact O-CE2 3.3Å; Y133-P285 PolarHBondContact OH-O 2.65Å; Y133-P285 VanDerWaalsContact OH-O 3.08Å; Y133-V288 HydrophobicContact CE2-CB 4.27Å; Y133-V288 HydrophobicContact CE2-CG2 4.03Å; Y133-V288 WeakPolarHBondContact OH-CG2 3.34Å; Y133-L305 HydrophobicContact CD1-CB 4.4Å; Y133-L305 HydrophobicContact CD2-CB 3.66Å; Y133-L305 HydrophobicContact CD2-CD2 4.02Å; Y133-L305 HydrophobicContact CD2-CG 4.49Å; Y133-L305 HydrophobicContact CE2-CB 4.2Å; Y133-L305 HydrophobicContact CG-CB 3.78Å | ||
| 134 | D | 98.7 | Very high | 98.6 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 49% | 0.492 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -70.8 | -33.7 | 179.8 | -59.2 | -29.8 | 0 | 0 | 0 | 113.2 | D307 D308 | D134-D307 PolarHBondContact N-OD1 3.23Å; D134-D307 WeakPolarHBondContact OD2-CA 3.34Å; D134-D307 WeakPolarHBondContact OD2-CB 3.38Å; D134-D308 VanDerWaalsContact CB-OD1 3.29Å; D134-D308 WeakPolarHBondContact CB-OD1 3.35Å; D134-D308 PolarHBondContact OD2-N 3.1Å |
| 135 | K | 98.7 | Very high | 98.6 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.9 | -170.8 | -59.2 | -97.8 | -177.5 | -63.2 | 0 | 112.4 | L305 A306 D308 M311 L312 | K135-L305 WeakPolarHBondContact O-CA 3.41Å; K135-A306 PolarHBondContact N-O 3.22Å; K135-A306 VanDerWaalsContact N-O 3.14Å; K135-A306 PolarHBondContact O-N 3.35Å; K135-D308 WeakPolarHBondContact CE-OD1 3.37Å; K135-D308 WeakPolarHBondContact CG-OD1 3.5Å; K135-D308 VanDerWaalsContact NZ-CG 3.33Å; K135-D308 IonicContact NZ-OD1 2.7Å; K135-D308 PolarHBondContact NZ-OD1 3.03Å; K135-D308 IonicContact NZ-OD2 2.57Å; K135-D308 PolarHBondContact NZ-OD2 3.03Å; K135-M311 HydrophobicContact CB-CB 3.82Å; K135-M311 HydrophobicContact CB-CE 4.1Å; K135-M311 HydrophobicContact CB-CG 3.56Å; K135-M311 HydrophobicContact CD-CG 4.44Å; K135-M311 HydrophobicContact CG-CB 3.96Å; K135-M311 HydrophobicContact CG-CG 3.96Å; K135-L312 HydrophobicContact CD-CD2 4.28Å; K135-L312 VanDerWaalsContact CE-CD2 3.44Å |
| 136 | V | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.4 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | E124 A127 A128 P138 A303 V304 L305 | E124-V136 HydrophobicContact CG-CB 4.36Å; A127-V136 HydrophobicContact CB-CG1 4.37Å; A127-V136 HydrophobicContact CB-CG2 3.87Å; A128-V136 HydrophobicContact CB-CG2 4.11Å; V136-P138 HydrophobicContact CG1-CG 4.31Å; V136-A303 HydrophobicContact CG1-CB 3.94Å; V136-V304 CarbonylContact C-O 3.58Å; V136-V304 WeakPolarHBondContact CA-O 3.34Å; V136-L305 HydrophobicContact CG1-CG 4.48Å; V136-L305 HydrophobicContact CG2-CD2 3.92Å; V136-L305 HydrophobicContact CG2-CG 4.06Å |
| 137 | L | 98.5 | Very high | 98.6 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 100.3 | 172.5 | 178.3 | 54.7 | 0 | 0 | 0 | 109.3 | T148 V304 M311 | L137-T148 HydrophobicContact CD2-CG2 3.39Å; L137-T148 HydrophobicContact CG-CG2 4.16Å; L137-V304 HydrophobicContact CB-CB 4.41Å; L137-V304 PolarHBondContact N-O 3.44Å; L137-V304 PolarHBondContact O-N 3.07Å; L137-M311 HydrophobicContact CB-CE 3.93Å; L137-M311 HydrophobicContact CB-SD 3.86Å; L137-M311 HydrophobicContact CD2-SD 4.26Å |
| 138 | P | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 139.1 | 179.7 | -17.4 | 32.7 | 0 | 0 | 0 | 112.6 | L120 F123 E124 V136 S302 | L120-P138 HydrophobicContact CD1-CG 3.93Å; F123-P138 HydrophobicContact CD1-CG 3.99Å; F123-P138 HydrophobicContact CE1-CB 4.09Å; F123-P138 HydrophobicContact CE1-CG 3.74Å; E124-P138 HydrophobicContact CG-CG 4.49Å; V136-P138 HydrophobicContact CG1-CG 4.31Å; P138-S302 CarbonylContact C-O 3.57Å; P138-S302 WeakPolarHBondContact CA-O 3.49Å |
| 139 | M | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.059 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | -170.1 | 173.3 | -64.3 | -61.4 | -75.9 | 0 | 0 | 108.9 | E144 S302 H319 | M139-E144 HydrophobicContact CB-CB 3.88Å; M139-E144 HydrophobicContact CE-CB 3.84Å; M139-E144 HydrophobicContact CE-CG 4.21Å; M139-E144 HydrophobicContact CG-CB 4.37Å; M139-S302 VanDerWaalsContact C-OG 3.23Å; M139-S302 VanDerWaalsContact CB-OG 3.27Å; M139-S302 WeakPolarHBondContact CB-OG 3.42Å; M139-S302 PolarHBondContact N-O 3.42Å; M139-S302 PolarHBondContact O-N 3.49Å; M139-S302 VanDerWaalsContact O-O 3.11Å; M139-H319 WeakPolarHBondContact CE-NE2 3.47Å |
| 140 | N | 98.6 | Very high | 98.6 | Very high | 26 Ų | 26 | 26 Ų | 26 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -103.2 | -44 | -174.2 | -44.3 | -69 | 0 | 0 | 0 | 112.3 | E144 P300 V301 S302 S321 Y323 G324 | N140-E144 WeakPolarHBondContact CA-OE2 3.37Å; N140-E144 WeakPolarHBondContact CB-OE2 3.26Å; N140-E144 PolarHBondContact N-OE2 3.05Å; N140-E144 PolarHBondContact ND2-OE1 3.34Å; N140-E144 PolarHBondContact ND2-OE2 2.96Å; N140-P300 CarbonylContact O-C 3.59Å; N140-P300 WeakPolarHBondContact O-CA 3.5Å; N140-P300 WeakPolarHBondContact O-CB 3.48Å; N140-V301 CarbonylContact O-C 2.99Å; N140-V301 WeakPolarHBondContact O-CA 3.42Å; N140-V301 PolarHBondContact O-N 2.94Å; N140-S302 PolarHBondContact N-OG 3.41Å; N140-S321 PolarHBondContact ND2-OG 3.33Å; N140-Y323 WeakPolarHBondContact OD1-CB 3.41Å; N140-Y323 PolarHBondContact OD1-O 3.36Å; N140-G324 PolarHBondContact OD1-N 3.03Å |
| 141 | S | 98.6 | Very high | 98.6 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -120.4 | 160.7 | -175 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | V143 E144 A145 S302 | S141-V143 VanDerWaalsContact C-N 3.27Å; S141-V143 PolarHBondContact O-N 2.93Å; S141-V143 VanDerWaalsContact OG-CG1 3.3Å; S141-V143 WeakPolarHBondContact OG-CG1 3.16Å; S141-E144 PolarHBondContact N-OE2 3.37Å; S141-E144 PolarHBondContact O-N 3.3Å; S141-E144 WeakPolarHBondContact OG-CG 3.46Å; S141-E144 PolarHBondContact OG-N 2.97Å; S141-A145 PolarHBondContact O-N 3.09Å; S141-A145 VanDerWaalsContact O-N 3.15Å; S141-S302 PolarHBondContact N-OG 3.33Å; S141-S302 VanDerWaalsContact O-CB 3.23Å; S141-S302 WeakPolarHBondContact O-CB 3.43Å; S141-S302 PolarHBondContact O-OG 2.92Å |
| 142 | G | 98.5 | Very high | 98.6 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 21% | 0.206 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.3 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E144 A145 G146 I265 | G142-E144 PolarHBondContact O-N 2.94Å; G142-A145 WeakPolarHBondContact O-CB 3.24Å; G142-A145 PolarHBondContact O-N 2.87Å; G142-A145 VanDerWaalsContact O-N 3.13Å; G142-G146 PolarHBondContact O-N 3.01Å; G142-I265 VanDerWaalsContact CA-CD1 3.4Å; G142-I265 WeakPolarHBondContact O-CD1 3.33Å |
| 143 | V | 98.5 | Very high | 98.7 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -35.8 | 178.6 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | S141 A145 G146 E147 W178 T181 A184 | S141-V143 VanDerWaalsContact C-N 3.27Å; S141-V143 PolarHBondContact O-N 2.93Å; S141-V143 VanDerWaalsContact OG-CG1 3.3Å; S141-V143 WeakPolarHBondContact OG-CG1 3.16Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 2.69Å; V143-G146 PolarHBondContact O-N 3.42Å; V143-E147 HydrophobicContact CG2-CG 4.47Å; V143-E147 WeakPolarHBondContact O-CG 3.27Å; V143-E147 PolarHBondContact O-N 2.96Å; V143-W178 WeakPolarHBondContact CA-O 3.31Å; V143-W178 HydrophobicContact CG2-CE3 4.28Å; V143-W178 HydrophobicContact CG2-CZ3 4.26Å; V143-T181 HydrophobicContact CG1-CG2 4.31Å; V143-T181 HydrophobicContact CG2-CG2 3.51Å; V143-T181 WeakPolarHBondContact CG2-OG1 3.49Å; V143-A184 HydrophobicContact CG2-CB 4.5Å |
| 144 | E | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 27.5 Ų | 27.5 | 28% | 0.28 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 172.8 | -74.8 | 179 | 169.3 | 0 | 0 | 112 | M139 N140 S141 G142 T148 | M139-E144 HydrophobicContact CB-CB 3.88Å; M139-E144 HydrophobicContact CE-CB 3.84Å; M139-E144 HydrophobicContact CE-CG 4.21Å; M139-E144 HydrophobicContact CG-CB 4.37Å; N140-E144 WeakPolarHBondContact CA-OE2 3.37Å; N140-E144 WeakPolarHBondContact CB-OE2 3.26Å; N140-E144 PolarHBondContact N-OE2 3.05Å; N140-E144 PolarHBondContact ND2-OE1 3.34Å; N140-E144 PolarHBondContact ND2-OE2 2.96Å; S141-E144 PolarHBondContact N-OE2 3.37Å; S141-E144 PolarHBondContact O-N 3.3Å; S141-E144 WeakPolarHBondContact OG-CG 3.46Å; S141-E144 PolarHBondContact OG-N 2.97Å; G142-E144 PolarHBondContact O-N 2.94Å; E144-T148 VanDerWaalsContact O-CB 3.23Å; E144-T148 WeakPolarHBondContact O-CB 3.4Å; E144-T148 PolarHBondContact O-N 2.94Å; E144-T148 PolarHBondContact O-OG1 2.84Å |
| 145 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S141 G142 V143 T148 S149 L289 V304 | S141-A145 PolarHBondContact O-N 3.09Å; S141-A145 VanDerWaalsContact O-N 3.15Å; G142-A145 WeakPolarHBondContact O-CB 3.24Å; G142-A145 PolarHBondContact O-N 2.87Å; G142-A145 VanDerWaalsContact O-N 3.13Å; V143-A145 VanDerWaalsContact C-N 3.3Å; V143-A145 PolarHBondContact O-N 2.69Å; A145-T148 PolarHBondContact O-N 2.9Å; A145-S149 PolarHBondContact O-N 2.74Å; A145-L289 HydrophobicContact CB-CB 4.44Å; A145-V304 HydrophobicContact CB-CG2 3.77Å; A145-V304 WeakPolarHBondContact O-CG2 3.27Å |
| 146 | G | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G142 V143 T148 S149 I150 | G142-G146 PolarHBondContact O-N 3.01Å; V143-G146 PolarHBondContact O-N 3.42Å; G146-T148 VanDerWaalsContact C-N 3.26Å; G146-T148 PolarHBondContact O-N 2.74Å; G146-S149 PolarHBondContact O-N 2.94Å; G146-S149 PolarHBondContact O-OG 3.16Å; G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 3.42Å |
| 147 | E | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 21.7 Ų | 21.7 | 24% | 0.243 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 174.2 | -72.8 | -74.6 | -175.4 | 0 | 0 | 111 | V143 I150 K151 W178 T181 A183 | V143-E147 HydrophobicContact CG2-CG 4.47Å; V143-E147 WeakPolarHBondContact O-CG 3.27Å; V143-E147 PolarHBondContact O-N 2.96Å; E147-I150 PolarHBondContact O-N 3.39Å; E147-K151 WeakPolarHBondContact O-CB 3.42Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 2.57Å; E147-W178 HydrophobicContact CG-CZ3 4.1Å; E147-T181 HydrophobicContact CG-CG2 4.39Å; E147-T181 WeakPolarHBondContact OE1-CB 3.38Å; E147-T181 PolarHBondContact OE1-OG1 3.25Å; E147-A183 VanDerWaalsContact OE1-CB 3.3Å; E147-A183 WeakPolarHBondContact OE1-CB 3.34Å |
| 148 | T | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.7 | -42.7 | 179.3 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | L137 E144 A145 G146 K151 L152 V304 H319 | L137-T148 HydrophobicContact CD2-CG2 3.39Å; L137-T148 HydrophobicContact CG-CG2 4.16Å; E144-T148 VanDerWaalsContact O-CB 3.23Å; E144-T148 WeakPolarHBondContact O-CB 3.4Å; E144-T148 PolarHBondContact O-N 2.94Å; E144-T148 PolarHBondContact O-OG1 2.84Å; A145-T148 PolarHBondContact O-N 2.9Å; G146-T148 VanDerWaalsContact C-N 3.26Å; G146-T148 PolarHBondContact O-N 2.74Å; T148-K151 PolarHBondContact O-N 3.08Å; T148-L152 HydrophobicContact CG2-CD1 4.24Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.1Å; T148-V304 HydrophobicContact CG2-CB 4.34Å; T148-V304 HydrophobicContact CG2-CG2 3.83Å; T148-H319 PolarHBondContact OG1-CE1 3Å; T148-H319 PolarHBondContact OG1-NE2 2.79Å |
| 149 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.8 | -37.8 | 179 | 74 | 0 | 0 | 0 | 0 | 112.5 | A145 G146 L152 A153 L289 | A145-S149 PolarHBondContact O-N 2.74Å; G146-S149 PolarHBondContact O-N 2.94Å; G146-S149 PolarHBondContact O-OG 3.16Å; S149-L152 WeakPolarHBondContact O-CB 3.44Å; S149-L152 PolarHBondContact O-N 3.11Å; S149-A153 WeakPolarHBondContact O-CB 3.17Å; S149-A153 PolarHBondContact O-N 2.77Å; S149-L289 VanDerWaalsContact CB-CD2 3.44Å |
| 150 | I | 98.6 | Very high | 98.6 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.9 | -42 | 173.8 | -67.1 | 163.9 | 0 | 0 | 0 | 110.7 | G146 E147 A153 R154 V170 F172 W178 F204 M228 | G146-I150 WeakPolarHBondContact O-CG1 3.31Å; G146-I150 PolarHBondContact O-N 3.42Å; E147-I150 PolarHBondContact O-N 3.39Å; I150-A153 PolarHBondContact O-N 2.86Å; I150-R154 HydrophobicContact CG2-CG 4.46Å; I150-R154 WeakPolarHBondContact O-CB 3.31Å; I150-R154 WeakPolarHBondContact O-CG 3.34Å; I150-R154 PolarHBondContact O-N 3Å; I150-V170 HydrophobicContact CG2-CG2 4.42Å; I150-F172 HydrophobicContact CD1-CE1 4.36Å; I150-F172 HydrophobicContact CD1-CZ 3.77Å; I150-F172 HydrophobicContact CG1-CZ 4.31Å; I150-W178 HydrophobicContact CD1-CE3 4.48Å; I150-W178 HydrophobicContact CD1-CH2 3.2Å; I150-W178 HydrophobicContact CD1-CZ2 3.44Å; I150-W178 VanDerWaalsContact CD1-CZ2 3.44Å; I150-W178 HydrophobicContact CD1-CZ3 3.78Å; I150-F204 HydrophobicContact CD1-CZ 4.33Å; I150-F204 HydrophobicContact CG2-CE1 4.02Å; I150-F204 HydrophobicContact CG2-CZ 4.21Å; I150-M228 HydrophobicContact CG1-SD 4.5Å |
| 151 | K | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 32 Ų | 32 | 39% | 0.391 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.2 | -75.7 | 178.7 | 67.8 | 173.5 | 0 | 111.5 | E147 T148 K155 E318 H319 | E147-K151 WeakPolarHBondContact O-CB 3.42Å; E147-K151 WeakPolarHBondContact O-CG 3.29Å; E147-K151 PolarHBondContact O-N 2.57Å; T148-K151 PolarHBondContact O-N 3.08Å; K151-K155 WeakPolarHBondContact O-CB 3.43Å; K151-K155 PolarHBondContact O-N 2.91Å; K151-E318 PolarHBondContact NZ-O 2.71Å; K151-H319 WeakPolarHBondContact CE-ND1 3.4Å; K151-H319 PolarHBondContact NZ-ND1 3.36Å |
| 152 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -48.9 | 174.5 | -78.4 | 167.2 | 0 | 0 | 0 | 111.2 | T148 S149 K155 W156 I287 V304 V310 M311 I314 | T148-L152 HydrophobicContact CG2-CD1 4.24Å; T148-L152 WeakPolarHBondContact O-CG 3.48Å; T148-L152 PolarHBondContact O-N 3.1Å; S149-L152 WeakPolarHBondContact O-CB 3.44Å; S149-L152 PolarHBondContact O-N 3.11Å; L152-K155 PolarHBondContact O-N 2.83Å; L152-W156 VanDerWaalsContact O-CB 3.31Å; L152-W156 WeakPolarHBondContact O-CB 3.32Å; L152-W156 PolarHBondContact O-N 3.3Å; L152-I287 HydrophobicContact CB-CD1 4.16Å; L152-V304 HydrophobicContact CD1-CG1 3.82Å; L152-V310 HydrophobicContact CB-CG1 4.22Å; L152-M311 HydrophobicContact CD1-CE 4.42Å; L152-M311 HydrophobicContact CD1-SD 3.86Å; L152-M311 HydrophobicContact CD2-SD 4.11Å; L152-I314 HydrophobicContact CD2-CB 4.36Å; L152-I314 HydrophobicContact CD2-CD1 3.46Å; L152-I314 VanDerWaalsContact CD2-CD1 3.46Å; L152-I314 HydrophobicContact CD2-CG1 3.76Å; L152-I314 HydrophobicContact CG-CD1 3.72Å; L152-I314 HydrophobicContact CG-CG1 4.49Å |
| 153 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S149 I150 K155 W156 G157 A226 L259 I261 | S149-A153 WeakPolarHBondContact O-CB 3.17Å; S149-A153 PolarHBondContact O-N 2.77Å; I150-A153 PolarHBondContact O-N 2.86Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 2.83Å; A153-W156 PolarHBondContact O-N 3.03Å; A153-G157 PolarHBondContact O-N 3.05Å; A153-A226 HydrophobicContact CB-CB 3.63Å; A153-L259 HydrophobicContact CB-CD1 4.09Å; A153-I261 HydrophobicContact CB-CD1 4.05Å |
| 154 | R | 98.5 | Very high | 98.6 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 18% | 0.181 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.6 | -74.5 | -175.2 | 171.3 | -172.6 | -3.7 | 110.8 | I150 G157 Y158 A168 P202 F204 | I150-R154 HydrophobicContact CG2-CG 4.46Å; I150-R154 WeakPolarHBondContact O-CB 3.31Å; I150-R154 WeakPolarHBondContact O-CG 3.34Å; I150-R154 PolarHBondContact O-N 3Å; R154-G157 WeakPolarHBondContact O-CA 3.4Å; R154-G157 PolarHBondContact O-N 2.77Å; R154-G157 VanDerWaalsContact O-N 3.09Å; R154-Y158 HydrophobicContact CB-CE2 4.01Å; R154-Y158 WeakPolarHBondContact O-CD2 3.48Å; R154-Y158 PolarHBondContact O-N 2.88Å; R154-A168 HydrophobicContact CB-CB 4.35Å; R154-A168 HydrophobicContact CG-CB 3.99Å; R154-P202 PolarHBondContact NH2-O 2.9Å; R154-F204 VanDerWaalsContact NH2-CE1 3.32Å |
| 155 | K | 98.5 | Very high | 98.5 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | -178.9 | -165.3 | 163.4 | -161.3 | 142.8 | 0 | 112.9 | K151 L152 A153 G157 Y158 K159 T313 I314 E318 | K151-K155 WeakPolarHBondContact O-CB 3.43Å; K151-K155 PolarHBondContact O-N 2.91Å; L152-K155 PolarHBondContact O-N 2.83Å; A153-K155 VanDerWaalsContact C-N 3.34Å; A153-K155 PolarHBondContact O-N 2.83Å; K155-G157 VanDerWaalsContact C-N 3.32Å; K155-Y158 PolarHBondContact O-N 3.27Å; K155-K159 VanDerWaalsContact CE-CE 3.46Å; K155-K159 VanDerWaalsContact CE-NZ 3.33Å; K155-K159 HydrophobicContact CG-CD 4.15Å; K155-K159 HydrophobicContact CG-CG 4.43Å; K155-K159 WeakPolarHBondContact O-CB 3.44Å; K155-K159 PolarHBondContact O-N 3.06Å; K155-T313 VanDerWaalsContact CD-O 3.22Å; K155-T313 WeakPolarHBondContact CD-O 3.49Å; K155-T313 WeakPolarHBondContact CE-O 3.34Å; K155-I314 HydrophobicContact CD-CG1 3.84Å; K155-E318 VanDerWaalsContact CE-OE2 3.29Å; K155-E318 WeakPolarHBondContact CE-OE2 3.46Å; K155-E318 IonicContact NZ-OE1 3.96Å; K155-E318 PolarHBondContact NZ-OE1 3.17Å; K155-E318 IonicContact NZ-OE2 2.71Å; K155-E318 PolarHBondContact NZ-OE2 2.78Å |
| 156 | W | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -43.3 | 169.3 | 175.3 | 92 | 0 | 0 | 0 | 111.4 | L152 A153 Y158 K159 V160 K161 N257 L259 V310 T313 | L152-W156 VanDerWaalsContact O-CB 3.31Å; L152-W156 WeakPolarHBondContact O-CB 3.32Å; L152-W156 PolarHBondContact O-N 3.3Å; A153-W156 PolarHBondContact O-N 3.03Å; W156-Y158 PolarHBondContact O-N 2.89Å; W156-K159 PolarHBondContact O-N 2.8Å; W156-V160 HydrophobicContact CD2-CB 4.42Å; W156-V160 HydrophobicContact CG-CB 4.2Å; W156-V160 HydrophobicContact CG-CG2 4.27Å; W156-V160 WeakPolarHBondContact O-CA 3.18Å; W156-V160 VanDerWaalsContact O-CB 3.29Å; W156-V160 WeakPolarHBondContact O-CB 3.39Å; W156-V160 PolarHBondContact O-N 2.92Å; W156-K161 HydrophobicContact CE3-CB 4.31Å; W156-K161 HydrophobicContact CH2-CB 4Å; W156-K161 HydrophobicContact CH2-CD 3.94Å; W156-K161 HydrophobicContact CH2-CG 4.42Å; W156-K161 HydrophobicContact CZ3-CB 3.87Å; W156-K161 HydrophobicContact CZ3-CD 3.75Å; W156-K161 HydrophobicContact CZ3-CG 4.39Å; W156-K161 PolarHBondContact O-N 2.88Å; W156-K161 VanDerWaalsContact O-N 3.12Å; W156-N257 WeakPolarHBondContact CH2-O 3.36Å; W156-L259 HydrophobicContact CB-CD1 4.03Å; W156-L259 HydrophobicContact CD2-CD1 3.65Å; W156-L259 HydrophobicContact CD2-CD2 4.04Å; W156-L259 HydrophobicContact CD2-CG 3.88Å; W156-L259 HydrophobicContact CE3-CD1 3.61Å; W156-L259 HydrophobicContact CE3-CD2 4.26Å; W156-L259 HydrophobicContact CE3-CG 3.66Å; W156-L259 HydrophobicContact CG-CD1 3.83Å; W156-L259 HydrophobicContact CH2-CD2 4.28Å; W156-L259 HydrophobicContact CH2-CG 4.21Å; W156-L259 HydrophobicContact CZ2-CD2 4.05Å; W156-L259 HydrophobicContact CZ2-CG 4.4Å; W156-L259 HydrophobicContact CZ3-CD1 4.3Å; W156-L259 HydrophobicContact CZ3-CD2 4.38Å; W156-L259 HydrophobicContact CZ3-CG 3.84Å; W156-V310 HydrophobicContact CG-CG2 4.49Å; W156-T313 HydrophobicContact CB-CG2 4.21Å |
| 157 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A153 R154 K155 K161 K162 I163 | A153-G157 PolarHBondContact O-N 3.05Å; R154-G157 WeakPolarHBondContact O-CA 3.4Å; R154-G157 PolarHBondContact O-N 2.77Å; R154-G157 VanDerWaalsContact O-N 3.09Å; K155-G157 VanDerWaalsContact C-N 3.32Å; G157-K161 CarbonylContact O-C 3.41Å; G157-K161 WeakPolarHBondContact O-CB 3.3Å; G157-K161 PolarHBondContact O-N 3.33Å; G157-K162 PolarHBondContact O-N 3.49Å; G157-I163 PolarHBondContact O-N 3.25Å |
| 158 | Y | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.7 | -50 | 178 | -58.1 | -52.3 | 0 | 0 | 0 | 112.7 | R154 K155 W156 K162 I163 P164 G166 A168 | R154-Y158 HydrophobicContact CB-CE2 4.01Å; R154-Y158 WeakPolarHBondContact O-CD2 3.48Å; R154-Y158 PolarHBondContact O-N 2.88Å; K155-Y158 PolarHBondContact O-N 3.27Å; W156-Y158 PolarHBondContact O-N 2.89Å; Y158-K162 WeakPolarHBondContact O-CA 3.37Å; Y158-I163 HydrophobicContact CD1-CB 4.39Å; Y158-I163 WeakPolarHBondContact CD1-O 3.41Å; Y158-I163 HydrophobicContact CE1-CG2 4.41Å; Y158-P164 WeakPolarHBondContact CE1-O 3.49Å; Y158-G166 WeakPolarHBondContact OH-CA 3.43Å; Y158-G166 PolarHBondContact OH-N 3.14Å; Y158-A168 HydrophobicContact CE1-CB 3.71Å; Y158-A168 HydrophobicContact CE2-CB 4.25Å; Y158-A168 WeakPolarHBondContact OH-CB 3.2Å |
| 159 | K | 97.9 | Very high | 98.4 | Very high | 93 Ų | 93 | 50 Ų | 50 | 40% | 0.404 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -77.5 | -39.6 | -171.6 | -71.4 | -170.1 | 174.1 | -179.1 | 0 | 113.4 | K155 W156 K162 T313 | K155-K159 VanDerWaalsContact CE-CE 3.46Å; K155-K159 VanDerWaalsContact CE-NZ 3.33Å; K155-K159 HydrophobicContact CG-CD 4.15Å; K155-K159 HydrophobicContact CG-CG 4.43Å; K155-K159 WeakPolarHBondContact O-CB 3.44Å; K155-K159 PolarHBondContact O-N 3.06Å; W156-K159 PolarHBondContact O-N 2.8Å; K159-K162 WeakPolarHBondContact O-CE 3.38Å; K159-K162 PolarHBondContact O-NZ 3.01Å; K159-T313 PolarHBondContact NZ-O 2.91Å |
| 160 | V | 98.2 | Very high | 98.4 | Very high | 74 Ų | 74 | 50 Ų | 50 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -56.7 | -171.6 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | W156 K162 T313 | W156-V160 HydrophobicContact CD2-CB 4.42Å; W156-V160 HydrophobicContact CG-CB 4.2Å; W156-V160 HydrophobicContact CG-CG2 4.27Å; W156-V160 WeakPolarHBondContact O-CA 3.18Å; W156-V160 VanDerWaalsContact O-CB 3.29Å; W156-V160 WeakPolarHBondContact O-CB 3.39Å; W156-V160 PolarHBondContact O-N 2.92Å; V160-K162 PolarHBondContact O-N 3.42Å; V160-T313 HydrophobicContact CG2-CG2 4.11Å |
| 161 | K | 98.1 | Very high | 98.4 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -73.9 | -13.4 | -179.3 | -172.1 | 171.5 | 178.1 | 170.4 | 0 | 113.7 | W156 G157 I163 Q222 T224 Y256 N257 | W156-K161 HydrophobicContact CE3-CB 4.31Å; W156-K161 HydrophobicContact CH2-CB 4Å; W156-K161 HydrophobicContact CH2-CD 3.94Å; W156-K161 HydrophobicContact CH2-CG 4.42Å; W156-K161 HydrophobicContact CZ3-CB 3.87Å; W156-K161 HydrophobicContact CZ3-CD 3.75Å; W156-K161 HydrophobicContact CZ3-CG 4.39Å; W156-K161 PolarHBondContact O-N 2.88Å; W156-K161 VanDerWaalsContact O-N 3.12Å; G157-K161 CarbonylContact O-C 3.41Å; G157-K161 WeakPolarHBondContact O-CB 3.3Å; G157-K161 PolarHBondContact O-N 3.33Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 HydrophobicContact CB-CG1 4.38Å; K161-I163 HydrophobicContact CD-CD1 3.96Å; K161-I163 HydrophobicContact CD-CG1 4.23Å; K161-I163 HydrophobicContact CG-CD1 4.34Å; K161-I163 HydrophobicContact CG-CG1 4.13Å; K161-I163 PolarHBondContact O-N 3.39Å; K161-Q222 VanDerWaalsContact CE-O 3.27Å; K161-Q222 WeakPolarHBondContact CE-O 3.2Å; K161-T224 PolarHBondContact NZ-O 3.27Å; K161-Y256 PolarHBondContact NZ-O 3.27Å; K161-N257 VanDerWaalsContact CD-O 3.31Å; K161-N257 WeakPolarHBondContact CD-O 3.27Å; K161-N257 WeakPolarHBondContact CE-O 3.27Å; K161-N257 PolarHBondContact NZ-O 3.37Å |
| 162 | K | 98.4 | Very high | 98.4 | Very high | 155 Ų | 155 | 45.4 Ų | 45.4 | 67% | 0.674 | 23% | 0.233 | S | C | * | . | trans | 61.7 | 35 | 179.7 | -52.1 | -55.9 | -172.3 | -173.7 | 0 | 114 | G157 Y158 K159 V160 | G157-K162 PolarHBondContact O-N 3.49Å; Y158-K162 WeakPolarHBondContact O-CA 3.37Å; K159-K162 WeakPolarHBondContact O-CE 3.38Å; K159-K162 PolarHBondContact O-NZ 3.01Å; V160-K162 PolarHBondContact O-N 3.42Å | ||
| 163 | I | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 137.1 | 169 | -64.1 | 169 | 0 | 0 | 0 | 108.4 | G157 Y158 K161 Q167 A168 N223 C225 | G157-I163 PolarHBondContact O-N 3.25Å; Y158-I163 HydrophobicContact CD1-CB 4.39Å; Y158-I163 WeakPolarHBondContact CD1-O 3.41Å; Y158-I163 HydrophobicContact CE1-CG2 4.41Å; K161-I163 VanDerWaalsContact C-N 3.33Å; K161-I163 HydrophobicContact CB-CG1 4.38Å; K161-I163 HydrophobicContact CD-CD1 3.96Å; K161-I163 HydrophobicContact CD-CG1 4.23Å; K161-I163 HydrophobicContact CG-CD1 4.34Å; K161-I163 HydrophobicContact CG-CG1 4.13Å; K161-I163 PolarHBondContact O-N 3.39Å; I163-Q167 HydrophobicContact CG2-CB 4.23Å; I163-A168 HydrophobicContact CG2-CB 4.43Å; I163-N223 VanDerWaalsContact CD1-O 3.28Å; I163-N223 WeakPolarHBondContact CD1-O 3.46Å; I163-N223 HydrophobicContact CG2-CB 3.95Å; I163-C225 HydrophobicContact CD1-CB 3.75Å |
| 164 | P | 98.4 | Very high | 98.4 | Very high | 62 Ų | 62 | 49.2 Ų | 49.2 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 144.6 | 175.3 | -26.1 | 34.9 | 0 | 0 | 0 | 112.3 | Y158 G166 Q167 | Y158-P164 WeakPolarHBondContact CE1-O 3.49Å; P164-G166 PolarHBondContact O-N 3.21Å; P164-Q167 HydrophobicContact CB-CB 4.38Å; P164-Q167 HydrophobicContact CB-CG 4.07Å; P164-Q167 WeakPolarHBondContact O-CB 3.17Å; P164-Q167 PolarHBondContact O-N 3.15Å |
| 165 | D | 97.4 | Very high | 98.3 | Very high | 147 Ų | 147 | 48 Ų | 48 | 79% | 0.786 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 140 | -176.6 | -171.2 | 38.2 | 0 | 0 | 0 | 112 | Q167 | D165-Q167 PolarHBondContact O-N 3.3Å; D165-Q167 VanDerWaalsContact O-N 3.11Å |
| 166 | G | 96.9 | Very high | 98.3 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 65% | 0.649 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | -2.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y158 P164 | Y158-G166 WeakPolarHBondContact OH-CA 3.43Å; Y158-G166 PolarHBondContact OH-N 3.14Å; P164-G166 PolarHBondContact O-N 3.21Å |
| 167 | Q | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 49 Ų | 49 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | trans | -100.9 | -0.1 | -174.5 | -58.5 | -166.2 | 28.3 | 0 | 0 | 115.7 | I163 P164 D165 R169 N223 | I163-Q167 HydrophobicContact CG2-CB 4.23Å; P164-Q167 HydrophobicContact CB-CB 4.38Å; P164-Q167 HydrophobicContact CB-CG 4.07Å; P164-Q167 WeakPolarHBondContact O-CB 3.17Å; P164-Q167 PolarHBondContact O-N 3.15Å; D165-Q167 PolarHBondContact O-N 3.3Å; D165-Q167 VanDerWaalsContact O-N 3.11Å; Q167-R169 PolarHBondContact O-N 3.35Å; Q167-N223 WeakPolarHBondContact O-CB 3.41Å; Q167-N223 PolarHBondContact OE1-ND2 3.48Å | ||
| 168 | A | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | trans | -60.6 | 129.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R154 Y158 I163 | R154-A168 HydrophobicContact CB-CB 4.35Å; R154-A168 HydrophobicContact CG-CB 3.99Å; Y158-A168 HydrophobicContact CE1-CB 3.71Å; Y158-A168 HydrophobicContact CE2-CB 4.25Å; Y158-A168 WeakPolarHBondContact OH-CB 3.2Å; I163-A168 HydrophobicContact CG2-CB 4.43Å | ||
| 169 | R | 98.5 | Very high | 98.2 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141.4 | 177 | -54.4 | 169.1 | 76 | -135.3 | 15.2 | 110.8 | Q167 G203 E218 N221 N223 T224 C225 | Q167-R169 PolarHBondContact O-N 3.35Å; R169-G203 CarbonylContact C-O 3.57Å; R169-G203 VanDerWaalsContact CA-O 3.26Å; R169-G203 WeakPolarHBondContact CA-O 3.38Å; R169-E218 IonicContact CZ-OE2 3.27Å; R169-E218 PolarHBondContact NH1-O 3.29Å; R169-E218 IonicContact NH1-OE2 2.63Å; R169-E218 PolarHBondContact NH1-OE2 3.27Å; R169-E218 IonicContact NH2-OE2 2.6Å; R169-E218 PolarHBondContact NH2-OE2 2.79Å; R169-N221 PolarHBondContact NH1-ND2 2.83Å; R169-N223 HydrophobicContact CG-CB 4.33Å; R169-N223 PolarHBondContact N-O 2.97Å; R169-T224 PolarHBondContact NH1-OG1 2.71Å; R169-C225 PolarHBondContact O-N 2.64Å; R169-C225 PolarHBondContact O-SG 3.3Å |
| 170 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.3 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | I150 F172 G203 F204 V205 A226 | I150-V170 HydrophobicContact CG2-CG2 4.42Å; V170-F172 HydrophobicContact CB-CE2 3.93Å; V170-F172 HydrophobicContact CB-CZ 4.47Å; V170-F172 HydrophobicContact CG1-CD2 4.26Å; V170-F172 HydrophobicContact CG1-CE2 3.59Å; V170-F172 HydrophobicContact CG1-CZ 3.81Å; V170-G203 PolarHBondContact N-O 2.8Å; V170-F204 HydrophobicContact CB-CD1 4.04Å; V170-F204 HydrophobicContact CB-CE1 4.28Å; V170-F204 HydrophobicContact CG2-CE1 4.44Å; V170-F204 WeakPolarHBondContact O-CA 3.38Å; V170-V205 PolarHBondContact O-N 3Å; V170-A226 WeakPolarHBondContact CA-O 3.27Å; V170-A226 HydrophobicContact CG1-CB 4.16Å; V170-A226 HydrophobicContact CG2-CB 4.5Å |
| 171 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 139.6 | 177.2 | -56.2 | 166.3 | 0 | 0 | 0 | 108.7 | V205 V207 L215 E218 L219 T224 A226 F227 M228 | I171-V205 CarbonylContact C-O 3.46Å; I171-V205 VanDerWaalsContact CA-O 3.31Å; I171-V205 WeakPolarHBondContact CA-O 3.47Å; I171-V207 HydrophobicContact CG2-CB 4.45Å; I171-V207 HydrophobicContact CG2-CG1 3.92Å; I171-V207 HydrophobicContact CG2-CG2 3.77Å; I171-L215 HydrophobicContact CD1-CD1 4.22Å; I171-L215 HydrophobicContact CG2-CD1 4.19Å; I171-E218 HydrophobicContact CD1-CB 3.49Å; I171-E218 VanDerWaalsContact CD1-CB 3.49Å; I171-E218 HydrophobicContact CG1-CB 4.17Å; I171-L219 HydrophobicContact CD1-CD2 3.84Å; I171-L219 HydrophobicContact CD1-CG 4.12Å; I171-T224 HydrophobicContact CD1-CG2 3.6Å; I171-T224 HydrophobicContact CG1-CG2 3.9Å; I171-A226 PolarHBondContact N-O 3.4Å; I171-F227 HydrophobicContact CB-CB 4.46Å; I171-F227 HydrophobicContact CB-CD2 3.8Å; I171-F227 HydrophobicContact CG2-CD2 3.66Å; I171-F227 HydrophobicContact CG2-CE2 4.03Å; I171-F227 WeakPolarHBondContact O-CA 3.32Å; I171-F227 WeakPolarHBondContact O-CD2 3.38Å; I171-M228 PolarHBondContact O-N 3.03Å |
| 172 | F | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 157.4 | 171.5 | -64.8 | -96.3 | 0 | 0 | 0 | 109.9 | I150 V170 W178 F204 V205 T206 V207 M228 | I150-F172 HydrophobicContact CD1-CE1 4.36Å; I150-F172 HydrophobicContact CD1-CZ 3.77Å; I150-F172 HydrophobicContact CG1-CZ 4.31Å; V170-F172 HydrophobicContact CB-CE2 3.93Å; V170-F172 HydrophobicContact CB-CZ 4.47Å; V170-F172 HydrophobicContact CG1-CD2 4.26Å; V170-F172 HydrophobicContact CG1-CE2 3.59Å; V170-F172 HydrophobicContact CG1-CZ 3.81Å; F172-W178 AromaticContact CD1-NE1 3.97Å; F172-W178 AromaticContact CE1-CE2 3.88Å; F172-W178 HydrophobicContact CE1-CZ2 4.28Å; F172-W178 AromaticContact CE1-NE1 3.5Å; F172-W178 HydrophobicContact CZ-CZ2 4.23Å; F172-F204 HydrophobicContact CD2-CB 4.29Å; F172-F204 HydrophobicContact CD2-CG 4.47Å; F172-F204 HydrophobicContact CE2-CB 4.09Å; F172-F204 AromaticContact CE2-CD1 3.62Å; F172-F204 HydrophobicContact CE2-CD1 3.62Å; F172-F204 HydrophobicContact CE2-CD2 4.41Å; F172-F204 HydrophobicContact CE2-CE1 4.09Å; F172-F204 AromaticContact CE2-CG 3.8Å; F172-F204 HydrophobicContact CE2-CG 3.8Å; F172-F204 HydrophobicContact CZ-CD1 4.37Å; F172-F204 HydrophobicContact CZ-CE1 4.41Å; F172-V205 PolarHBondContact N-O 2.97Å; F172-T206 HydrophobicContact CB-CG2 4.46Å; F172-T206 CarbonylContact O-C 3.57Å; F172-T206 VanDerWaalsContact O-CA 3.27Å; F172-T206 WeakPolarHBondContact O-CA 3.09Å; F172-V207 PolarHBondContact O-N 2.94Å; F172-M228 HydrophobicContact CD1-CB 4.05Å; F172-M228 HydrophobicContact CD1-CG 4.38Å; F172-M228 HydrophobicContact CE1-CB 3.88Å; F172-M228 HydrophobicContact CE1-CG 4.1Å; F172-M228 HydrophobicContact CE1-SD 3.77Å |
| 173 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 142 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G175 N176 V207 Y209 V229 | A173-G175 PolarHBondContact O-N 3.48Å; A173-N176 VanDerWaalsContact O-CB 3.24Å; A173-N176 WeakPolarHBondContact O-CB 3.44Å; A173-N176 PolarHBondContact O-N 2.99Å; A173-N176 VanDerWaalsContact O-N 3.13Å; A173-N176 PolarHBondContact O-ND2 2.83Å; A173-V207 CarbonylContact C-O 3.05Å; A173-V207 VanDerWaalsContact CA-O 3.3Å; A173-V207 WeakPolarHBondContact CA-O 3.35Å; A173-Y209 HydrophobicContact CB-CD2 3.64Å; A173-Y209 HydrophobicContact CB-CG 4.31Å; A173-V229 HydrophobicContact CB-CG2 4.11Å |
| 174 | E | 98.3 | Very high | 98.1 | Very high | 79 Ų | 79 | 44.3 Ų | 44.3 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.3 | 170.1 | -68.1 | 177.6 | 176.3 | 0 | 0 | 110.8 | T189 V207 Q233 | E174-T189 HydrophobicContact CB-CG2 4.33Å; E174-T189 HydrophobicContact CG-CG2 4.11Å; E174-V207 WeakPolarHBondContact CG-O 3.29Å; E174-V207 PolarHBondContact N-O 3.44Å; E174-Q233 PolarHBondContact O-NE2 3.03Å; E174-Q233 PolarHBondContact O-OE1 3.01Å |
| 175 | G | 96.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 41.7 Ų | 41.7 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 11.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A173 T189 Q233 A236 | A173-G175 PolarHBondContact O-N 3.48Å; G175-T189 PolarHBondContact N-OG1 3.21Å; G175-Q233 VanDerWaalsContact C-NE2 3.29Å; G175-Q233 PolarHBondContact O-NE2 3.33Å; G175-A236 WeakPolarHBondContact O-CB 3.13Å |
| 176 | N | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -60.8 | 149.8 | 174.5 | 67.4 | 95.4 | 0 | 0 | 0 | 112.5 | A173 W178 S187 E230 | A173-N176 VanDerWaalsContact O-CB 3.24Å; A173-N176 WeakPolarHBondContact O-CB 3.44Å; A173-N176 PolarHBondContact O-N 2.99Å; A173-N176 VanDerWaalsContact O-N 3.13Å; A173-N176 PolarHBondContact O-ND2 2.83Å; N176-W178 VanDerWaalsContact OD1-CD1 3.3Å; N176-S187 PolarHBondContact ND2-O 3.39Å; N176-S187 PolarHBondContact OD1-OG 2.91Å; N176-E230 WeakPolarHBondContact CA-OE2 3.18Å | ||
| 177 | F | 98.1 | Very high | 98.2 | Very high | 59 Ų | 59 | 33 Ų | 33 | 26% | 0.259 | 17% | 0.167 | S | C | . | . | trans | -140.2 | 111.9 | 165.5 | -177.2 | -90.2 | 0 | 0 | 0 | 111.1 | E230 E235 | F177-E230 PolarHBondContact N-OE2 3.05Å; F177-E235 HydrophobicContact CB-CB 3.71Å; F177-E235 HydrophobicContact CB-CG 3.72Å; F177-E235 HydrophobicContact CD1-CB 4.35Å; F177-E235 HydrophobicContact CD1-CG 3.38Å; F177-E235 HydrophobicContact CD2-CB 4.35Å; F177-E235 HydrophobicContact CD2-CG 3.97Å; F177-E235 HydrophobicContact CE1-CG 3.94Å; F177-E235 HydrophobicContact CE2-CG 4.46Å; F177-E235 HydrophobicContact CG-CB 3.89Å; F177-E235 HydrophobicContact CG-CG 3.4Å; F177-E235 VanDerWaalsContact CG-CG 3.4Å; F177-E235 HydrophobicContact CZ-CG 4.44Å | ||
| 178 | W | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | trans | -127.8 | 2.9 | 177.1 | 63.9 | -82.8 | 0 | 0 | 0 | 113.3 | V143 E147 I150 F172 N176 A183 A184 S187 M228 | V143-W178 WeakPolarHBondContact CA-O 3.31Å; V143-W178 HydrophobicContact CG2-CE3 4.28Å; V143-W178 HydrophobicContact CG2-CZ3 4.26Å; E147-W178 HydrophobicContact CG-CZ3 4.1Å; I150-W178 HydrophobicContact CD1-CE3 4.48Å; I150-W178 HydrophobicContact CD1-CH2 3.2Å; I150-W178 HydrophobicContact CD1-CZ2 3.44Å; I150-W178 VanDerWaalsContact CD1-CZ2 3.44Å; I150-W178 HydrophobicContact CD1-CZ3 3.78Å; F172-W178 AromaticContact CD1-NE1 3.97Å; F172-W178 AromaticContact CE1-CE2 3.88Å; F172-W178 HydrophobicContact CE1-CZ2 4.28Å; F172-W178 AromaticContact CE1-NE1 3.5Å; F172-W178 HydrophobicContact CZ-CZ2 4.23Å; N176-W178 VanDerWaalsContact OD1-CD1 3.3Å; W178-A183 HydrophobicContact CH2-CB 3.78Å; W178-A183 VanDerWaalsContact CZ2-C 3.48Å; W178-A183 HydrophobicContact CZ2-CB 4.27Å; W178-A184 HydrophobicContact CD2-CB 3.84Å; W178-A184 VanDerWaalsContact CE2-CA 3.4Å; W178-A184 HydrophobicContact CE3-CB 4.1Å; W178-A184 HydrophobicContact CG-CB 4.45Å; W178-A184 HydrophobicContact CH2-CB 4.02Å; W178-A184 HydrophobicContact CZ2-CB 3.76Å; W178-A184 VanDerWaalsContact CZ2-N 3.31Å; W178-A184 HydrophobicContact CZ3-CB 4.18Å; W178-S187 PolarHBondContact NE1-OG 3.45Å; W178-M228 HydrophobicContact CB-CE 3.5Å; W178-M228 VanDerWaalsContact CB-CE 3.5Å; W178-M228 HydrophobicContact CD2-CE 4.21Å; W178-M228 HydrophobicContact CG-CE 3.83Å | ||
| 179 | G | 97.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.8 Ų | 31.8 | 13% | 0.134 | 17% | 0.167 | C | C | . | . | trans | 159 | -165.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | A184 | G179-A184 VanDerWaalsContact C-CB 3.47Š| ||
| 180 | R | 97.7 | Very high | 97.9 | Very high | 150 Ų | 150 | 32 Ų | 32 | 57% | 0.566 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -135.5 | 13.4 | -177.1 | -63.3 | -69.1 | -172.7 | 162.7 | -8.5 | 113.1 | C193 | R180-C193 PolarHBondContact NH1-SG 2.7Š|
| 181 | T | 98.2 | Very high | 97.6 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 28% | 0.276 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -73.2 | 164.8 | 170 | 56.6 | 0 | 0 | 0 | 0 | 110 | V143 E147 A183 A184 C185 | V143-T181 HydrophobicContact CG1-CG2 4.31Å; V143-T181 HydrophobicContact CG2-CG2 3.51Å; V143-T181 WeakPolarHBondContact CG2-OG1 3.49Å; E147-T181 HydrophobicContact CG-CG2 4.39Å; E147-T181 WeakPolarHBondContact OE1-CB 3.38Å; E147-T181 PolarHBondContact OE1-OG1 3.25Å; T181-A183 PolarHBondContact O-N 3.03Å; T181-A184 PolarHBondContact O-N 3.4Å; T181-A184 PolarHBondContact OG1-N 3.18Å; T181-C185 PolarHBondContact O-N 2.95Å; T181-C185 PolarHBondContact O-SG 3.49Å |
| 182 | L | 97.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 40 Ų | 40 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.8 | -36.1 | 175.7 | -68.9 | 178 | 0 | 0 | 0 | 112.3 | C185 S186 F197 | L182-C185 PolarHBondContact O-N 2.72Å; L182-S186 WeakPolarHBondContact O-CB 3.29Å; L182-S186 PolarHBondContact O-N 3.18Å; L182-S186 PolarHBondContact O-OG 3.3Å; L182-F197 HydrophobicContact CD2-CB 4.15Å; L182-F197 WeakPolarHBondContact CD2-O 3.47Å |
| 183 | A | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E147 W178 T181 S186 S187 M201 F204 | E147-A183 VanDerWaalsContact OE1-CB 3.3Å; E147-A183 WeakPolarHBondContact OE1-CB 3.34Å; W178-A183 HydrophobicContact CH2-CB 3.78Å; W178-A183 VanDerWaalsContact CZ2-C 3.48Å; W178-A183 HydrophobicContact CZ2-CB 4.27Å; T181-A183 PolarHBondContact O-N 3.03Å; A183-S186 WeakPolarHBondContact O-CB 3.23Å; A183-S186 PolarHBondContact O-N 2.96Å; A183-S186 VanDerWaalsContact O-N 3.14Å; A183-S187 PolarHBondContact O-N 2.68Å; A183-M201 HydrophobicContact CB-CG 4.16Å; A183-F204 HydrophobicContact CB-CE2 4.06Å; A183-F204 HydrophobicContact CB-CZ 4.29Å; A183-F204 WeakPolarHBondContact O-CE2 3.31Å |
| 184 | A | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V143 W178 G179 T181 S186 S187 S188 | V143-A184 HydrophobicContact CG2-CB 4.5Å; W178-A184 HydrophobicContact CD2-CB 3.84Å; W178-A184 VanDerWaalsContact CE2-CA 3.4Å; W178-A184 HydrophobicContact CE3-CB 4.1Å; W178-A184 HydrophobicContact CG-CB 4.45Å; W178-A184 HydrophobicContact CH2-CB 4.02Å; W178-A184 HydrophobicContact CZ2-CB 3.76Å; W178-A184 VanDerWaalsContact CZ2-N 3.31Å; W178-A184 HydrophobicContact CZ3-CB 4.18Å; G179-A184 VanDerWaalsContact C-CB 3.47Å; T181-A184 PolarHBondContact O-N 3.4Å; T181-A184 PolarHBondContact OG1-N 3.18Å; A184-S186 PolarHBondContact O-N 3.44Å; A184-S187 PolarHBondContact O-N 2.98Å; A184-S187 PolarHBondContact O-OG 3.47Å; A184-S188 PolarHBondContact O-N 3.3Å |
| 185 | C | 98.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 43.6 Ų | 43.6 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 171.4 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | T181 L182 S187 S188 C193 Y194 | T181-C185 PolarHBondContact O-N 2.95Å; T181-C185 PolarHBondContact O-SG 3.49Å; L182-C185 PolarHBondContact O-N 2.72Å; C185-S187 VanDerWaalsContact C-N 3.26Å; C185-S187 PolarHBondContact O-N 2.99Å; C185-S188 PolarHBondContact O-N 3.45Å; C185-C193 PolarHBondContact SG-O 2.89Å; C185-Y194 WeakPolarHBondContact O-CB 3.46Å |
| 186 | S | 98.1 | Very high | 96.8 | Very high | 24 Ų | 24 | 46.5 Ų | 46.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71 | -15.7 | -176.8 | -56.9 | 0 | 0 | 0 | 0 | 114.6 | L182 A183 A184 F200 M201 | L182-S186 WeakPolarHBondContact O-CB 3.29Å; L182-S186 PolarHBondContact O-N 3.18Å; L182-S186 PolarHBondContact O-OG 3.3Å; A183-S186 WeakPolarHBondContact O-CB 3.23Å; A183-S186 PolarHBondContact O-N 2.96Å; A183-S186 VanDerWaalsContact O-N 3.14Å; A184-S186 PolarHBondContact O-N 3.44Å; S186-F200 WeakPolarHBondContact OG-CA 3.33Å; S186-F200 WeakPolarHBondContact OG-CB 3.36Å; S186-M201 PolarHBondContact OG-N 3.18Å |
| 187 | S | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 4 | 174.6 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | N176 W178 A183 A184 C185 | N176-S187 PolarHBondContact ND2-O 3.39Å; N176-S187 PolarHBondContact OD1-OG 2.91Å; W178-S187 PolarHBondContact NE1-OG 3.45Å; A183-S187 PolarHBondContact O-N 2.68Å; A184-S187 PolarHBondContact O-N 2.98Å; A184-S187 PolarHBondContact O-OG 3.47Å; C185-S187 VanDerWaalsContact C-N 3.26Å; C185-S187 PolarHBondContact O-N 2.99Å |
| 188 | S | 97.7 | Very high | 96.6 | Very high | 19 Ų | 19 | 50.5 Ų | 50.5 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | trans | -80.5 | 143.1 | -178.5 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | A184 C185 D190 C193 | A184-S188 PolarHBondContact O-N 3.3Å; C185-S188 PolarHBondContact O-N 3.45Å; S188-D190 PolarHBondContact OG-N 3.11Å; S188-D190 PolarHBondContact OG-O 3.05Å; S188-C193 VanDerWaalsContact OG-CB 3.31Å; S188-C193 WeakPolarHBondContact OG-CB 3.26Å | ||
| 189 | T | 96.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | trans | -105.2 | 1.6 | 167.2 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | E174 G175 P191 T206 | E174-T189 HydrophobicContact CB-CG2 4.33Å; E174-T189 HydrophobicContact CG-CG2 4.11Å; G175-T189 PolarHBondContact N-OG1 3.21Å; T189-P191 WeakPolarHBondContact O-CD 3.41Å; T189-T206 HydrophobicContact CG2-CG2 3.91Å | ||
| 190 | D | 94.3 | Very high | 96.5 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | trans | -86.7 | 115.4 | 171.8 | -177.1 | -19.5 | 0 | 0 | 0 | 109.8 | S188 T192 C193 Y194 | S188-D190 PolarHBondContact OG-N 3.11Å; S188-D190 PolarHBondContact OG-O 3.05Å; D190-T192 PolarHBondContact O-N 3.2Å; D190-T192 WeakPolarHBondContact OD1-CB 3.41Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.37Å; D190-T192 PolarHBondContact OD1-N 2.99Å; D190-T192 PolarHBondContact OD1-OG1 3.4Å; D190-T192 PolarHBondContact OD2-OG1 2.91Å; D190-C193 HydrophobicContact CB-CB 4.23Å; D190-C193 WeakPolarHBondContact O-CB 3.4Å; D190-C193 PolarHBondContact O-N 3.45Å; D190-Y194 WeakPolarHBondContact O-CD1 3.49Å; D190-Y194 WeakPolarHBondContact O-CE1 3.32Å | ||
| 191 | P | 93.7 | Very high | 96.4 | Very high | 68 Ų | 68 | 56.7 Ų | 56.7 | 44% | 0.442 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56 | -32.1 | 179.1 | -25.8 | 35.5 | 0 | 0 | 0 | 113.9 | T189 C193 Y194 S195 | T189-P191 WeakPolarHBondContact O-CD 3.41Å; P191-C193 PolarHBondContact O-N 3.33Å; P191-Y194 VanDerWaalsContact CA-CE1 3.44Å; P191-Y194 HydrophobicContact CB-CE1 4.35Å; P191-Y194 HydrophobicContact CG-CE1 4.38Å; P191-Y194 PolarHBondContact O-N 3.3Å; P191-S195 WeakPolarHBondContact O-CB 3.31Å; P191-S195 PolarHBondContact O-N 2.97Å; P191-S195 PolarHBondContact O-OG 3.15Å |
| 192 | T | 91.5 | Very high | 96.3 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.6 | -17.6 | 178.8 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | D190 | D190-T192 PolarHBondContact O-N 3.2Å; D190-T192 WeakPolarHBondContact OD1-CB 3.41Å; D190-T192 WeakPolarHBondContact OD1-CG2 3.37Å; D190-T192 PolarHBondContact OD1-N 2.99Å; D190-T192 PolarHBondContact OD1-OG1 3.4Å; D190-T192 PolarHBondContact OD2-OG1 2.91Å |
| 193 | C | 93.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -92.9 | -25.2 | 179.4 | -69.4 | 0 | 0 | 0 | 0 | 113.4 | R180 C185 S188 D190 P191 | R180-C193 PolarHBondContact NH1-SG 2.7Å; C185-C193 PolarHBondContact SG-O 2.89Å; S188-C193 VanDerWaalsContact OG-CB 3.31Å; S188-C193 WeakPolarHBondContact OG-CB 3.26Å; D190-C193 HydrophobicContact CB-CB 4.23Å; D190-C193 WeakPolarHBondContact O-CB 3.4Å; D190-C193 PolarHBondContact O-N 3.45Å; P191-C193 PolarHBondContact O-N 3.33Å |
| 194 | Y | 95.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 57 Ų | 57 | 30% | 0.302 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -120.2 | -21.6 | -174.6 | 71.3 | -105.4 | 0 | 0 | 0 | 115.4 | C185 D190 P191 G196 F197 F200 | C185-Y194 WeakPolarHBondContact O-CB 3.46Å; D190-Y194 WeakPolarHBondContact O-CD1 3.49Å; D190-Y194 WeakPolarHBondContact O-CE1 3.32Å; P191-Y194 VanDerWaalsContact CA-CE1 3.44Å; P191-Y194 HydrophobicContact CB-CE1 4.35Å; P191-Y194 HydrophobicContact CG-CE1 4.38Å; P191-Y194 PolarHBondContact O-N 3.3Å; Y194-G196 PolarHBondContact O-N 3.5Å; Y194-F197 PolarHBondContact O-N 3.05Å; Y194-F200 HydrophobicContact CD2-CE2 4.34Å; Y194-F200 AromaticContact CD2-CZ 3.94Å; Y194-F200 HydrophobicContact CD2-CZ 3.94Å; Y194-F200 HydrophobicContact CG-CZ 4.38Å; Y194-F200 VanDerWaalsContact O-CZ 3.31Å; Y194-F200 WeakPolarHBondContact O-CZ 3.27Å |
| 195 | S | 96.7 | Very high | 96.3 | Very high | 71 Ų | 71 | 58.1 Ų | 58.1 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 124.3 | -173.4 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | P191 | P191-S195 WeakPolarHBondContact O-CB 3.31Å; P191-S195 PolarHBondContact O-N 2.97Å; P191-S195 PolarHBondContact O-OG 3.15Å |
| 196 | G | 97 | Very high | 96.3 | Very high | 83 Ų | 83 | 60.4 Ų | 60.4 | 86% | 0.856 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 3.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y194 | Y194-G196 PolarHBondContact O-N 3.5Š|
| 197 | F | 97.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 48% | 0.482 | 37% | 0.371 | S | S | . | . | trans | -107.4 | 9.3 | -177.5 | -58.7 | -51.7 | 0 | 0 | 0 | 115.3 | L182 Y194 F200 | L182-F197 HydrophobicContact CD2-CB 4.15Å; L182-F197 WeakPolarHBondContact CD2-O 3.47Å; Y194-F197 PolarHBondContact O-N 3.05Å; F197-F200 HydrophobicContact CB-CE1 4.43Å | ||
| 198 | G | 95.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 61.6 Ų | 61.6 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 199 | P | 96 | Very high | 96.4 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 83% | 0.831 | 38% | 0.381 | S | S | * | . | S | Bend | cis | -74.3 | 150.1 | 1.5 | 31.4 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 200 | F | 96.5 | Very high | 96.5 | Very high | 94 Ų | 94 | 61 Ų | 61 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 153 | -173.5 | -59.9 | -56.2 | 0 | 0 | 0 | 113.2 | S186 Y194 F197 | S186-F200 WeakPolarHBondContact OG-CA 3.33Å; S186-F200 WeakPolarHBondContact OG-CB 3.36Å; Y194-F200 HydrophobicContact CD2-CE2 4.34Å; Y194-F200 AromaticContact CD2-CZ 3.94Å; Y194-F200 HydrophobicContact CD2-CZ 3.94Å; Y194-F200 HydrophobicContact CG-CZ 4.38Å; Y194-F200 VanDerWaalsContact O-CZ 3.31Å; Y194-F200 WeakPolarHBondContact O-CZ 3.27Å; F197-F200 HydrophobicContact CB-CE1 4.43Å |
| 201 | M | 94.9 | Very high | 96.7 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 40% | 0.404 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 124.7 | 174.3 | -72.6 | -62.3 | -62.7 | 0 | 0 | 110.5 | A183 S186 F204 | A183-M201 HydrophobicContact CB-CG 4.16Å; S186-M201 PolarHBondContact OG-N 3.18Å; M201-F204 HydrophobicContact CB-CD2 4.31Å; M201-F204 HydrophobicContact CB-CE2 3.8Å; M201-F204 HydrophobicContact CB-CZ 4.45Å |
| 202 | P | 96.9 | Very high | 96.9 | Very high | 100 Ų | 100 | 60.8 Ų | 60.8 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -74.6 | 167.2 | 177 | 32.4 | -36.2 | 0 | 0 | 0 | 111.4 | R154 | R154-P202 PolarHBondContact NH2-O 2.9Š|
| 203 | G | 97.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 62 Ų | 62 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | S | Bend | trans | 83.8 | 14.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | R169 V170 | R169-G203 CarbonylContact C-O 3.57Å; R169-G203 VanDerWaalsContact CA-O 3.26Å; R169-G203 WeakPolarHBondContact CA-O 3.38Å; V170-G203 PolarHBondContact N-O 2.8Å |
| 204 | F | 98.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142 | 170.5 | -58.4 | -29.3 | 0 | 0 | 0 | 110.7 | I150 R154 V170 F172 A183 M201 | I150-F204 HydrophobicContact CD1-CZ 4.33Å; I150-F204 HydrophobicContact CG2-CE1 4.02Å; I150-F204 HydrophobicContact CG2-CZ 4.21Å; R154-F204 VanDerWaalsContact NH2-CE1 3.32Å; V170-F204 HydrophobicContact CB-CD1 4.04Å; V170-F204 HydrophobicContact CB-CE1 4.28Å; V170-F204 HydrophobicContact CG2-CE1 4.44Å; V170-F204 WeakPolarHBondContact O-CA 3.38Å; F172-F204 HydrophobicContact CD2-CB 4.29Å; F172-F204 HydrophobicContact CD2-CG 4.47Å; F172-F204 HydrophobicContact CE2-CB 4.09Å; F172-F204 AromaticContact CE2-CD1 3.62Å; F172-F204 HydrophobicContact CE2-CD1 3.62Å; F172-F204 HydrophobicContact CE2-CD2 4.41Å; F172-F204 HydrophobicContact CE2-CE1 4.09Å; F172-F204 AromaticContact CE2-CG 3.8Å; F172-F204 HydrophobicContact CE2-CG 3.8Å; F172-F204 HydrophobicContact CZ-CD1 4.37Å; F172-F204 HydrophobicContact CZ-CE1 4.41Å; A183-F204 HydrophobicContact CB-CE2 4.06Å; A183-F204 HydrophobicContact CB-CZ 4.29Å; A183-F204 WeakPolarHBondContact O-CE2 3.31Å; M201-F204 HydrophobicContact CB-CD2 4.31Å; M201-F204 HydrophobicContact CB-CE2 3.8Å; M201-F204 HydrophobicContact CB-CZ 4.45Å |
| 205 | V | 98 | Very high | 97.7 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.5 | -179 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | V170 I171 F172 E218 | V170-V205 PolarHBondContact O-N 3Å; I171-V205 CarbonylContact C-O 3.46Å; I171-V205 VanDerWaalsContact CA-O 3.31Å; I171-V205 WeakPolarHBondContact CA-O 3.47Å; F172-V205 PolarHBondContact N-O 2.97Å; V205-E218 HydrophobicContact CG1-CG 4.07Å |
| 206 | T | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 58 Ų | 58 | 34% | 0.337 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.6 | 177.4 | 53.1 | 0 | 0 | 0 | 0 | 111 | F172 T189 | F172-T206 HydrophobicContact CB-CG2 4.46Å; F172-T206 CarbonylContact O-C 3.57Å; F172-T206 VanDerWaalsContact O-CA 3.27Å; F172-T206 WeakPolarHBondContact O-CA 3.09Å; T189-T206 HydrophobicContact CG2-CG2 3.91Å |
| 207 | V | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.024 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.1 | 170.7 | -62.6 | 0 | 0 | 0 | 0 | 109.7 | I171 F172 A173 E174 Y209 A214 L215 E218 F227 | I171-V207 HydrophobicContact CG2-CB 4.45Å; I171-V207 HydrophobicContact CG2-CG1 3.92Å; I171-V207 HydrophobicContact CG2-CG2 3.77Å; F172-V207 PolarHBondContact O-N 2.94Å; A173-V207 CarbonylContact C-O 3.05Å; A173-V207 VanDerWaalsContact CA-O 3.3Å; A173-V207 WeakPolarHBondContact CA-O 3.35Å; E174-V207 WeakPolarHBondContact CG-O 3.29Å; E174-V207 PolarHBondContact N-O 3.44Å; V207-Y209 PolarHBondContact O-N 2.85Å; V207-A214 HydrophobicContact CB-CB 4.25Å; V207-L215 HydrophobicContact CG2-CB 4.44Å; V207-L215 HydrophobicContact CG2-CD1 4.45Å; V207-E218 HydrophobicContact CG1-CB 4.13Å; V207-E218 HydrophobicContact CG1-CG 3.57Å; V207-F227 HydrophobicContact CG2-CE2 4.28Å |
| 208 | P | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | trans | -51.4 | 134.7 | 174.1 | -28.3 | 35.6 | 0 | 0 | 0 | 112.4 | D211 | P208-D211 HydrophobicContact CB-CB 4.05Š| ||
| 209 | Y | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 145.4 | 173.6 | -173.8 | -118.3 | 0 | 0 | 0 | 110.6 | A173 V207 D211 V229 E230 P231 Q233 R239 P241 Y245 | A173-Y209 HydrophobicContact CB-CD2 3.64Å; A173-Y209 HydrophobicContact CB-CG 4.31Å; V207-Y209 PolarHBondContact O-N 2.85Å; Y209-D211 VanDerWaalsContact C-N 3.25Å; Y209-D211 PolarHBondContact O-N 3.25Å; Y209-V229 HydrophobicContact CD2-CG2 3.99Å; Y209-V229 HydrophobicContact CE2-CG2 3.6Å; Y209-E230 WeakPolarHBondContact CE2-O 3.32Å; Y209-E230 PolarHBondContact OH-O 2.7Å; Y209-P231 PolarHBondContact OH-O 3.28Å; Y209-P231 VanDerWaalsContact OH-O 3.1Å; Y209-Q233 HydrophobicContact CD1-CG 4.05Å; Y209-Q233 HydrophobicContact CD2-CG 4.03Å; Y209-Q233 HydrophobicContact CE1-CG 3.91Å; Y209-Q233 HydrophobicContact CE2-CG 3.88Å; Y209-Q233 HydrophobicContact CG-CG 4.08Å; Y209-R239 HydrophobicContact CD1-CB 4.4Å; Y209-R239 HydrophobicContact CE1-CB 4.23Å; Y209-R239 WeakPolarHBondContact CE1-O 3.31Å; Y209-P241 HydrophobicContact CE1-CB 3.98Å; Y209-P241 HydrophobicContact CE1-CG 4.47Å; Y209-P241 WeakPolarHBondContact OH-CD 3.48Å; Y209-Y245 HydrophobicContact CD2-CE1 4.25Å; Y209-Y245 AromaticContact CE2-CE1 3.8Å; Y209-Y245 HydrophobicContact CE2-CE1 3.8Å |
| 210 | D | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 23.8 | -176.8 | -156.9 | 33.6 | 0 | 0 | 0 | 114.6 | P241 S242 Y245 | D210-P241 HydrophobicContact CB-CB 4.22Å; D210-P241 WeakPolarHBondContact OD1-CB 3.43Å; D210-S242 VanDerWaalsContact CG-N 3.27Å; D210-S242 PolarHBondContact OD1-N 2.98Å; D210-S242 VanDerWaalsContact OD2-CB 3.32Å; D210-S242 WeakPolarHBondContact OD2-CB 3.38Å; D210-S242 PolarHBondContact OD2-N 3.35Å; D210-S242 PolarHBondContact OD2-OG 2.88Å; D210-Y245 VanDerWaalsContact CA-CE2 3.44Å; D210-Y245 WeakPolarHBondContact OD1-CB 3.44Å; D210-Y245 WeakPolarHBondContact OD1-CD2 3.47Å |
| 211 | D | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | trans | -120.9 | 100.8 | 176.2 | -169.2 | -24.4 | 0 | 0 | 0 | 112 | P208 Y209 N213 A214 L215 | P208-D211 HydrophobicContact CB-CB 4.05Å; Y209-D211 VanDerWaalsContact C-N 3.25Å; Y209-D211 PolarHBondContact O-N 3.25Å; D211-N213 WeakPolarHBondContact OD1-CA 3.4Å; D211-N213 WeakPolarHBondContact OD1-CB 3.3Å; D211-N213 PolarHBondContact OD1-N 3.05Å; D211-A214 HydrophobicContact CB-CB 4Å; D211-A214 PolarHBondContact OD1-N 3.01Å; D211-L215 WeakPolarHBondContact O-CB 3.38Å; D211-L215 PolarHBondContact O-N 3.25Å; D211-L215 VanDerWaalsContact O-N 3.16Å | ||
| 212 | L | 98.8 | Very high | 98.4 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.293 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.6 | -27.4 | 178.4 | -66.4 | 175.8 | 0 | 0 | 0 | 113.3 | E216 Y245 V249 L252 | L212-E216 VanDerWaalsContact O-CB 3.3Å; L212-E216 WeakPolarHBondContact O-CB 3.35Å; L212-E216 PolarHBondContact O-N 3.03Å; L212-Y245 HydrophobicContact CD2-CD2 3.8Å; L212-Y245 HydrophobicContact CD2-CE2 3.92Å; L212-Y245 HydrophobicContact CG-CD2 4.05Å; L212-Y245 HydrophobicContact CG-CE2 4.39Å; L212-V249 HydrophobicContact CD2-CG2 4Å; L212-L252 HydrophobicContact CB-CD1 4.19Å; L212-L252 HydrophobicContact CD2-CD1 4.02Å; L212-L252 WeakPolarHBondContact O-CD1 3.47Å |
| 213 | N | 98.7 | Very high | 98.5 | Very high | 128 Ų | 128 | 51.5 Ų | 51.5 | 68% | 0.684 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -73.3 | -44.2 | -179.9 | -68.6 | -37.3 | 0 | 0 | 0 | 110.3 | D211 E216 A217 | D211-N213 WeakPolarHBondContact OD1-CA 3.4Å; D211-N213 WeakPolarHBondContact OD1-CB 3.3Å; D211-N213 PolarHBondContact OD1-N 3.05Å; N213-E216 PolarHBondContact O-N 3.37Å; N213-A217 PolarHBondContact O-N 3.43Å |
| 214 | A | 98.7 | Very high | 98.5 | Very high | 24 Ų | 24 | 50 Ų | 50 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V207 D211 A217 E218 | V207-A214 HydrophobicContact CB-CB 4.25Å; D211-A214 HydrophobicContact CB-CB 4Å; D211-A214 PolarHBondContact OD1-N 3.01Å; A214-A217 WeakPolarHBondContact O-CB 3.37Å; A214-A217 PolarHBondContact O-N 2.9Å; A214-E218 PolarHBondContact O-N 3.01Å |
| 215 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 173.6 | 177.2 | 60.4 | 0 | 0 | 0 | 111.7 | I171 V207 D211 A217 E218 L219 F227 V249 L252 | I171-L215 HydrophobicContact CD1-CD1 4.22Å; I171-L215 HydrophobicContact CG2-CD1 4.19Å; V207-L215 HydrophobicContact CG2-CB 4.44Å; V207-L215 HydrophobicContact CG2-CD1 4.45Å; D211-L215 WeakPolarHBondContact O-CB 3.38Å; D211-L215 PolarHBondContact O-N 3.25Å; D211-L215 VanDerWaalsContact O-N 3.16Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3.21Å; L215-E218 PolarHBondContact O-N 3.47Å; L215-L219 HydrophobicContact CD1-CD1 3.94Å; L215-L219 HydrophobicContact CD1-CD2 4.34Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CD2-CD1 4.32Å; L215-L219 HydrophobicContact CG-CD1 3.7Å; L215-L219 HydrophobicContact CG-CG 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 3.08Å; L215-F227 HydrophobicContact CD1-CB 4.26Å; L215-F227 HydrophobicContact CD1-CD1 3.96Å; L215-F227 HydrophobicContact CD1-CD2 3.76Å; L215-F227 HydrophobicContact CD1-CE1 4.17Å; L215-F227 HydrophobicContact CD1-CE2 4Å; L215-F227 HydrophobicContact CD1-CG 3.73Å; L215-F227 HydrophobicContact CD1-CZ 4.19Å; L215-F227 HydrophobicContact CD2-CD1 3.85Å; L215-F227 HydrophobicContact CD2-CE1 3.69Å; L215-F227 HydrophobicContact CD2-CG 4.47Å; L215-F227 HydrophobicContact CD2-CZ 4.21Å; L215-V249 HydrophobicContact CD2-CB 4.41Å; L215-V249 HydrophobicContact CD2-CG1 4.42Å; L215-V249 HydrophobicContact CD2-CG2 3.83Å; L215-L252 HydrophobicContact CD2-CD1 4.16Å; L215-L252 HydrophobicContact CG-CD1 4.32Å |
| 216 | E | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 179.4 | 179.1 | 159 | -144.9 | 0 | 0 | 112.4 | L212 N213 E218 L219 K220 L252 K255 Y256 | L212-E216 VanDerWaalsContact O-CB 3.3Å; L212-E216 WeakPolarHBondContact O-CB 3.35Å; L212-E216 PolarHBondContact O-N 3.03Å; N213-E216 PolarHBondContact O-N 3.37Å; E216-E218 PolarHBondContact O-N 3.07Å; E216-L219 PolarHBondContact O-N 2.98Å; E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 2.87Å; E216-L252 HydrophobicContact CB-CD1 4.02Å; E216-L252 HydrophobicContact CB-CD2 3.9Å; E216-L252 HydrophobicContact CG-CD2 3.96Å; E216-K255 IonicContact OE1-NZ 2.59Å; E216-K255 PolarHBondContact OE1-NZ 3.09Å; E216-Y256 HydrophobicContact CG-CE2 3.79Å; E216-Y256 WeakPolarHBondContact CG-OH 3.1Å; E216-Y256 WeakPolarHBondContact OE1-CE2 3.29Å; E216-Y256 PolarHBondContact OE1-OH 3.09Å |
| 217 | A | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 46% | 0.463 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.5 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N213 A214 L215 | N213-A217 PolarHBondContact O-N 3.43Å; A214-A217 WeakPolarHBondContact O-CB 3.37Å; A214-A217 PolarHBondContact O-N 2.9Å; L215-A217 VanDerWaalsContact C-N 3.27Å; L215-A217 PolarHBondContact O-N 3.21Å |
| 218 | E | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 28% | 0.276 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -76.1 | -29.8 | 179.9 | -74.5 | -56.7 | 142.5 | 0 | 0 | 114 | R169 I171 V205 V207 A214 L215 E216 K220 N221 T224 | R169-E218 IonicContact CZ-OE2 3.27Å; R169-E218 PolarHBondContact NH1-O 3.29Å; R169-E218 IonicContact NH1-OE2 2.63Å; R169-E218 PolarHBondContact NH1-OE2 3.27Å; R169-E218 IonicContact NH2-OE2 2.6Å; R169-E218 PolarHBondContact NH2-OE2 2.79Å; I171-E218 HydrophobicContact CD1-CB 3.49Å; I171-E218 VanDerWaalsContact CD1-CB 3.49Å; I171-E218 HydrophobicContact CG1-CB 4.17Å; V205-E218 HydrophobicContact CG1-CG 4.07Å; V207-E218 HydrophobicContact CG1-CB 4.13Å; V207-E218 HydrophobicContact CG1-CG 3.57Å; A214-E218 PolarHBondContact O-N 3.01Å; L215-E218 PolarHBondContact O-N 3.47Å; E216-E218 PolarHBondContact O-N 3.07Å; E218-K220 PolarHBondContact O-N 3.43Å; E218-N221 PolarHBondContact O-N 3.42Å; E218-T224 PolarHBondContact O-OG1 2.91Å |
| 219 | L | 98.6 | Very high | 98.6 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -19.9 | 176.8 | -71.5 | 173.8 | 0 | 0 | 0 | 113.4 | I171 L215 E216 N221 T224 L252 Y256 V258 | I171-L219 HydrophobicContact CD1-CD2 3.84Å; I171-L219 HydrophobicContact CD1-CG 4.12Å; L215-L219 HydrophobicContact CD1-CD1 3.94Å; L215-L219 HydrophobicContact CD1-CD2 4.34Å; L215-L219 HydrophobicContact CD1-CG 3.93Å; L215-L219 HydrophobicContact CD2-CD1 4.32Å; L215-L219 HydrophobicContact CG-CD1 3.7Å; L215-L219 HydrophobicContact CG-CG 4.17Å; L215-L219 VanDerWaalsContact O-CG 3.26Å; L215-L219 WeakPolarHBondContact O-CG 3.32Å; L215-L219 PolarHBondContact O-N 3.08Å; E216-L219 PolarHBondContact O-N 2.98Å; L219-N221 PolarHBondContact O-N 3.21Å; L219-T224 HydrophobicContact CD2-CG2 4.11Å; L219-L252 HydrophobicContact CD1-CB 3.63Å; L219-Y256 HydrophobicContact CB-CD2 3.67Å; L219-Y256 HydrophobicContact CB-CE2 4.25Å; L219-Y256 HydrophobicContact CB-CG 3.88Å; L219-Y256 HydrophobicContact CD1-CD2 4.13Å; L219-V258 HydrophobicContact CD2-CB 3.83Å; L219-V258 HydrophobicContact CD2-CG1 3.65Å; L219-V258 HydrophobicContact CD2-CG2 3.7Å |
| 220 | K | 98.2 | Very high | 98.7 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 58% | 0.578 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.8 | 175.5 | -72.3 | 168.7 | -174.3 | 174.5 | 0 | 113.4 | E216 E218 Q222 Y256 | E216-K220 WeakPolarHBondContact O-CG 3.42Å; E216-K220 PolarHBondContact O-N 2.87Å; E218-K220 PolarHBondContact O-N 3.43Å; K220-Q222 PolarHBondContact O-N 2.9Å; K220-Y256 HydrophobicContact CG-CE1 3.84Å |
| 221 | N | 98.2 | Very high | 98.7 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -71.4 | 120.2 | 174.4 | -171.5 | -43.9 | 0 | 0 | 0 | 110.1 | R169 E218 L219 N223 T224 | R169-N221 PolarHBondContact NH1-ND2 2.83Å; E218-N221 PolarHBondContact O-N 3.42Å; L219-N221 PolarHBondContact O-N 3.21Å; N221-N223 PolarHBondContact O-N 3.3Å; N221-N223 VanDerWaalsContact O-N 3.11Å; N221-N223 VanDerWaalsContact OD1-CB 3.31Å; N221-N223 WeakPolarHBondContact OD1-CB 3.33Å; N221-N223 PolarHBondContact OD1-N 3.12Å; N221-T224 WeakPolarHBondContact O-CB 3.32Å; N221-T224 PolarHBondContact O-N 2.93Å; N221-T224 PolarHBondContact O-OG1 2.95Å |
| 222 | Q | 97.7 | Very high | 98.7 | Very high | 163 Ų | 163 | 37.3 Ų | 37.3 | 76% | 0.762 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.6 | -176.2 | -64.8 | -178.2 | -10.7 | 0 | 0 | 113.5 | K161 K220 T224 | K161-Q222 VanDerWaalsContact CE-O 3.27Å; K161-Q222 WeakPolarHBondContact CE-O 3.2Å; K220-Q222 PolarHBondContact O-N 2.9Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.44Å |
| 223 | N | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.3 | 178.1 | -63.7 | -13 | 0 | 0 | 0 | 113.7 | I163 Q167 R169 N221 C225 | I163-N223 VanDerWaalsContact CD1-O 3.28Å; I163-N223 WeakPolarHBondContact CD1-O 3.46Å; I163-N223 HydrophobicContact CG2-CB 3.95Å; Q167-N223 WeakPolarHBondContact O-CB 3.41Å; Q167-N223 PolarHBondContact OE1-ND2 3.48Å; R169-N223 HydrophobicContact CG-CB 4.33Å; R169-N223 PolarHBondContact N-O 2.97Å; N221-N223 PolarHBondContact O-N 3.3Å; N221-N223 VanDerWaalsContact O-N 3.11Å; N221-N223 VanDerWaalsContact OD1-CB 3.31Å; N221-N223 WeakPolarHBondContact OD1-CB 3.33Å; N221-N223 PolarHBondContact OD1-N 3.12Å; N223-C225 PolarHBondContact O-N 3.35Å |
| 224 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 120.3 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | K161 R169 I171 E218 L219 N221 Q222 V258 | K161-T224 PolarHBondContact NZ-O 3.27Å; R169-T224 PolarHBondContact NH1-OG1 2.71Å; I171-T224 HydrophobicContact CD1-CG2 3.6Å; I171-T224 HydrophobicContact CG1-CG2 3.9Å; E218-T224 PolarHBondContact O-OG1 2.91Å; L219-T224 HydrophobicContact CD2-CG2 4.11Å; N221-T224 WeakPolarHBondContact O-CB 3.32Å; N221-T224 PolarHBondContact O-N 2.93Å; N221-T224 PolarHBondContact O-OG1 2.95Å; Q222-T224 VanDerWaalsContact C-N 3.29Å; Q222-T224 PolarHBondContact O-N 3.44Å; T224-V258 HydrophobicContact CG2-CG1 4Å; T224-V258 HydrophobicContact CG2-CG2 4.05Å; T224-V258 WeakPolarHBondContact O-CG2 3.49Å |
| 225 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -29.7 | -179 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | I163 R169 N223 L259 | I163-C225 HydrophobicContact CD1-CB 3.75Å; R169-C225 PolarHBondContact O-N 2.64Å; R169-C225 PolarHBondContact O-SG 3.3Å; N223-C225 PolarHBondContact O-N 3.35Å; C225-L259 PolarHBondContact O-N 2.72Å |
| 226 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 158.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A153 V170 I171 V258 L259 I261 | A153-A226 HydrophobicContact CB-CB 3.63Å; V170-A226 WeakPolarHBondContact CA-O 3.27Å; V170-A226 HydrophobicContact CG1-CB 4.16Å; V170-A226 HydrophobicContact CG2-CB 4.5Å; I171-A226 PolarHBondContact N-O 3.4Å; A226-V258 VanDerWaalsContact C-CG1 3.5Å; A226-V258 VanDerWaalsContact CA-CG1 3.44Å; A226-L259 CarbonylContact C-O 3.45Å; A226-L259 WeakPolarHBondContact CA-O 3.43Å; A226-L259 HydrophobicContact CB-CB 4.12Å; A226-L259 WeakPolarHBondContact CB-O 3.35Å; A226-I261 HydrophobicContact CB-CD1 3.73Å; A226-I261 HydrophobicContact CB-CG1 4.11Å |
| 227 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.4 | 159 | 173.9 | -127.2 | 0 | 0 | 0 | 108.7 | I171 V207 L215 V229 V249 L259 I261 | I171-F227 HydrophobicContact CB-CB 4.46Å; I171-F227 HydrophobicContact CB-CD2 3.8Å; I171-F227 HydrophobicContact CG2-CD2 3.66Å; I171-F227 HydrophobicContact CG2-CE2 4.03Å; I171-F227 WeakPolarHBondContact O-CA 3.32Å; I171-F227 WeakPolarHBondContact O-CD2 3.38Å; V207-F227 HydrophobicContact CG2-CE2 4.28Å; L215-F227 HydrophobicContact CD1-CB 4.26Å; L215-F227 HydrophobicContact CD1-CD1 3.96Å; L215-F227 HydrophobicContact CD1-CD2 3.76Å; L215-F227 HydrophobicContact CD1-CE1 4.17Å; L215-F227 HydrophobicContact CD1-CE2 4Å; L215-F227 HydrophobicContact CD1-CG 3.73Å; L215-F227 HydrophobicContact CD1-CZ 4.19Å; L215-F227 HydrophobicContact CD2-CD1 3.85Å; L215-F227 HydrophobicContact CD2-CE1 3.69Å; L215-F227 HydrophobicContact CD2-CG 4.47Å; L215-F227 HydrophobicContact CD2-CZ 4.21Å; F227-V229 HydrophobicContact CD1-CB 4.31Å; F227-V229 HydrophobicContact CD1-CG1 3.94Å; F227-V229 HydrophobicContact CE1-CB 3.62Å; F227-V229 HydrophobicContact CE1-CG1 3.43Å; F227-V229 VanDerWaalsContact CE1-CG1 3.43Å; F227-V229 HydrophobicContact CE1-CG2 4.14Å; F227-V229 HydrophobicContact CE2-CB 4.12Å; F227-V229 HydrophobicContact CZ-CB 3.52Å; F227-V229 HydrophobicContact CZ-CG1 3.91Å; F227-V229 HydrophobicContact CZ-CG2 3.8Å; F227-V249 HydrophobicContact CD1-CG1 3.54Å; F227-V249 HydrophobicContact CD1-CG2 4.43Å; F227-V249 HydrophobicContact CE1-CB 4.42Å; F227-V249 HydrophobicContact CE1-CG1 3.69Å; F227-V249 HydrophobicContact CE1-CG2 3.78Å; F227-L259 PolarHBondContact N-O 3.28Å; F227-I261 PolarHBondContact O-N 2.79Å |
| 228 | M | 98.9 | Very high | 97.7 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.02 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125 | 177.3 | -178.7 | 170.4 | 167.3 | 0 | 0 | 110.4 | I150 I171 F172 W178 I261 D263 L289 | I150-M228 HydrophobicContact CG1-SD 4.5Å; I171-M228 PolarHBondContact O-N 3.03Å; F172-M228 HydrophobicContact CD1-CB 4.05Å; F172-M228 HydrophobicContact CD1-CG 4.38Å; F172-M228 HydrophobicContact CE1-CB 3.88Å; F172-M228 HydrophobicContact CE1-CG 4.1Å; F172-M228 HydrophobicContact CE1-SD 3.77Å; W178-M228 HydrophobicContact CB-CE 3.5Å; W178-M228 VanDerWaalsContact CB-CE 3.5Å; W178-M228 HydrophobicContact CD2-CE 4.21Å; W178-M228 HydrophobicContact CG-CE 3.83Å; M228-I261 WeakPolarHBondContact CA-O 3.36Å; M228-I261 HydrophobicContact CB-CB 4.02Å; M228-I261 HydrophobicContact CB-CD1 4.41Å; M228-I261 HydrophobicContact CB-CG2 4.41Å; M228-I261 HydrophobicContact CG-CB 4.11Å; M228-I261 HydrophobicContact CG-CG2 3.97Å; M228-I261 HydrophobicContact SD-CG2 4.26Å; M228-D263 HydrophobicContact CE-CB 4.08Å; M228-L289 HydrophobicContact CE-CD1 3.47Å; M228-L289 VanDerWaalsContact CE-CD1 3.47Å; M228-L289 HydrophobicContact SD-CD1 4.35Å |
| 229 | V | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.024 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 143.8 | -174.8 | 65 | 0 | 0 | 0 | 0 | 112.4 | A173 Y209 F227 Y245 F260 I261 A262 D263 | A173-V229 HydrophobicContact CB-CG2 4.11Å; Y209-V229 HydrophobicContact CD2-CG2 3.99Å; Y209-V229 HydrophobicContact CE2-CG2 3.6Å; F227-V229 HydrophobicContact CD1-CB 4.31Å; F227-V229 HydrophobicContact CD1-CG1 3.94Å; F227-V229 HydrophobicContact CE1-CB 3.62Å; F227-V229 HydrophobicContact CE1-CG1 3.43Å; F227-V229 VanDerWaalsContact CE1-CG1 3.43Å; F227-V229 HydrophobicContact CE1-CG2 4.14Å; F227-V229 HydrophobicContact CE2-CB 4.12Å; F227-V229 HydrophobicContact CZ-CB 3.52Å; F227-V229 HydrophobicContact CZ-CG1 3.91Å; F227-V229 HydrophobicContact CZ-CG2 3.8Å; V229-Y245 HydrophobicContact CG2-CE1 4.33Å; V229-F260 HydrophobicContact CG1-CD2 4.23Å; V229-F260 HydrophobicContact CG1-CE2 3.5Å; V229-F260 HydrophobicContact CG1-CZ 4.35Å; V229-I261 PolarHBondContact N-O 2.75Å; V229-A262 WeakPolarHBondContact O-CA 3.19Å; V229-D263 PolarHBondContact O-N 3.44Å |
| 230 | E | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | trans | -78.4 | 130.1 | 168.4 | -65.3 | 164.7 | 74.1 | 0 | 0 | 109.6 | N176 F177 Y209 I232 Q233 G234 D263 | N176-E230 WeakPolarHBondContact CA-OE2 3.18Å; F177-E230 PolarHBondContact N-OE2 3.05Å; Y209-E230 WeakPolarHBondContact CE2-O 3.32Å; Y209-E230 PolarHBondContact OH-O 2.7Å; E230-I232 PolarHBondContact O-N 3.12Å; E230-Q233 HydrophobicContact CB-CG 4.33Å; E230-Q233 WeakPolarHBondContact OE1-CA 3.3Å; E230-G234 PolarHBondContact OE1-N 3.27Å; E230-D263 HydrophobicContact CG-CB 4.06Å | ||
| 231 | P | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -57 | -30.1 | 173.9 | -29.7 | 38.8 | 0 | 0 | 0 | 114 | Y209 P241 L246 A262 D263 E264 C277 V278 | Y209-P231 PolarHBondContact OH-O 3.28Å; Y209-P231 VanDerWaalsContact OH-O 3.1Å; P231-P241 VanDerWaalsContact O-CD 3.26Å; P231-P241 WeakPolarHBondContact O-CD 3.49Å; P231-P241 WeakPolarHBondContact O-CG 3.09Å; P231-L246 HydrophobicContact CB-CD1 3.86Å; P231-A262 HydrophobicContact CG-CB 4.5Å; P231-D263 WeakPolarHBondContact CD-O 2.99Å; P231-E264 HydrophobicContact CG-CG 4.15Å; P231-C277 HydrophobicContact CB-CB 3.63Å; P231-C277 VanDerWaalsContact CB-SG 3.55Å; P231-C277 HydrophobicContact CG-CB 4.14Å; P231-V278 HydrophobicContact CB-CG1 4.43Å; P231-V278 HydrophobicContact CG-CG1 3.77Å |
| 232 | I | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -140.9 | 120.8 | 167.5 | -63.8 | 179.4 | 0 | 0 | 0 | 105.9 | E230 G234 V238 R239 T240 T267 T272 K374 L377 | E230-I232 PolarHBondContact O-N 3.12Å; I232-G234 PolarHBondContact O-N 2.69Å; I232-G234 VanDerWaalsContact O-N 3.12Å; I232-V238 HydrophobicContact CG2-CG1 3.85Å; I232-R239 WeakPolarHBondContact CG2-O 3.46Å; I232-T240 HydrophobicContact CD1-CG2 4.24Å; I232-T240 HydrophobicContact CG1-CG2 4.39Å; I232-T267 HydrophobicContact CB-CG2 3.84Å; I232-T267 WeakPolarHBondContact O-CG2 3.28Å; I232-T272 HydrophobicContact CD1-CG2 4.02Å; I232-K374 HydrophobicContact CD1-CB 3.87Å; I232-K374 HydrophobicContact CD1-CD 4.31Å; I232-K374 HydrophobicContact CD1-CG 3.92Å; I232-L377 HydrophobicContact CG2-CD2 4.22Å |
| 233 | Q | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | -69.5 | 112.3 | 179.6 | -64.5 | -178.2 | -45.6 | 0 | 0 | 110.5 | E174 G175 Y209 E230 A236 V238 R239 | E174-Q233 PolarHBondContact O-NE2 3.03Å; E174-Q233 PolarHBondContact O-OE1 3.01Å; G175-Q233 VanDerWaalsContact C-NE2 3.29Å; G175-Q233 PolarHBondContact O-NE2 3.33Å; Y209-Q233 HydrophobicContact CD1-CG 4.05Å; Y209-Q233 HydrophobicContact CD2-CG 4.03Å; Y209-Q233 HydrophobicContact CE1-CG 3.91Å; Y209-Q233 HydrophobicContact CE2-CG 3.88Å; Y209-Q233 HydrophobicContact CG-CG 4.08Å; E230-Q233 HydrophobicContact CB-CG 4.33Å; E230-Q233 WeakPolarHBondContact OE1-CA 3.3Å; Q233-A236 HydrophobicContact CB-CB 3.88Å; Q233-V238 CarbonylContact O-C 3.33Å; Q233-V238 WeakPolarHBondContact O-CA 3.36Å; Q233-V238 PolarHBondContact O-N 3.27Å; Q233-R239 HydrophobicContact CB-CB 4.22Å; Q233-R239 PolarHBondContact N-O 2.89Å; Q233-R239 VanDerWaalsContact N-O 3.11Å; Q233-R239 PolarHBondContact O-N 3.47Å |
| 234 | G | 95.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -51.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E230 I232 A236 G237 V238 Q266 | E230-G234 PolarHBondContact OE1-N 3.27Å; I232-G234 PolarHBondContact O-N 2.69Å; I232-G234 VanDerWaalsContact O-N 3.12Å; G234-A236 VanDerWaalsContact C-N 3.33Å; G234-A236 PolarHBondContact O-N 2.91Å; G234-G237 PolarHBondContact O-N 3.13Å; G234-G237 VanDerWaalsContact O-N 3.16Å; G234-V238 PolarHBondContact O-N 3.48Å; G234-Q266 VanDerWaalsContact CA-OE1 3.23Å |
| 235 | E | 93.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 17% | 0.173 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -32.9 | 178.7 | -66.5 | -50.7 | 127 | 0 | 0 | 112.2 | F177 G237 T405 H406 R411 | F177-E235 HydrophobicContact CB-CB 3.71Å; F177-E235 HydrophobicContact CB-CG 3.72Å; F177-E235 HydrophobicContact CD1-CB 4.35Å; F177-E235 HydrophobicContact CD1-CG 3.38Å; F177-E235 HydrophobicContact CD2-CB 4.35Å; F177-E235 HydrophobicContact CD2-CG 3.97Å; F177-E235 HydrophobicContact CE1-CG 3.94Å; F177-E235 HydrophobicContact CE2-CG 4.46Å; F177-E235 HydrophobicContact CG-CB 3.89Å; F177-E235 HydrophobicContact CG-CG 3.4Å; F177-E235 VanDerWaalsContact CG-CG 3.4Å; F177-E235 HydrophobicContact CZ-CG 4.44Å; E235-G237 PolarHBondContact O-N 3.49Å; E235-T405 WeakPolarHBondContact O-CG2 3.43Å; E235-T405 PolarHBondContact O-OG1 3.44Å; E235-H406 PolarHBondContact O-NE2 2.77Å; E235-R411 IonicContact OE1-CZ 3.38Å; E235-R411 IonicContact OE1-NH1 3.22Å; E235-R411 PolarHBondContact OE1-NH1 3.48Å; E235-R411 IonicContact OE1-NH2 2.73Å; E235-R411 IonicContact OE2-CZ 3.53Å; E235-R411 IonicContact OE2-NH1 3.61Å; E235-R411 PolarHBondContact OE2-NH1 3.22Å; E235-R411 IonicContact OE2-NH2 2.75Å; E235-R411 PolarHBondContact OE2-NH2 2.92Å |
| 236 | A | 93.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 22.4 Ų | 22.4 | 12% | 0.124 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 10.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G175 Q233 G234 R239 | G175-A236 WeakPolarHBondContact O-CB 3.13Å; Q233-A236 HydrophobicContact CB-CB 3.88Å; G234-A236 VanDerWaalsContact C-N 3.33Å; G234-A236 PolarHBondContact O-N 2.91Å; A236-R239 HydrophobicContact CB-CG 4.28Å; A236-R239 WeakPolarHBondContact O-CG 3.29Å |
| 237 | G | 94.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G234 E235 R239 R372 | G234-G237 PolarHBondContact O-N 3.13Å; G234-G237 VanDerWaalsContact O-N 3.16Å; E235-G237 PolarHBondContact O-N 3.49Å; G237-R239 VanDerWaalsContact C-N 3.34Å; G237-R239 PolarHBondContact O-N 3.16Å; G237-R372 VanDerWaalsContact O-CZ 3.24Å; G237-R372 PolarHBondContact O-NE 2.78Å; G237-R372 PolarHBondContact O-NH2 3.37Å |
| 238 | V | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 56 | 49.6 | 178.5 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | I232 Q233 G234 T240 R372 L377 A379 R411 | I232-V238 HydrophobicContact CG2-CG1 3.85Å; Q233-V238 CarbonylContact O-C 3.33Å; Q233-V238 WeakPolarHBondContact O-CA 3.36Å; Q233-V238 PolarHBondContact O-N 3.27Å; G234-V238 PolarHBondContact O-N 3.48Å; V238-T240 PolarHBondContact O-N 3.32Å; V238-R372 WeakPolarHBondContact O-CD 3.4Å; V238-R372 WeakPolarHBondContact O-CG 3.48Å; V238-R372 PolarHBondContact O-NE 3.32Å; V238-R372 VanDerWaalsContact O-NE 3.16Å; V238-L377 HydrophobicContact CG1-CD2 4.32Å; V238-L377 HydrophobicContact CG1-CG 3.84Å; V238-L377 HydrophobicContact CG2-CD1 4.2Å; V238-L377 HydrophobicContact CG2-CG 4.29Å; V238-A379 HydrophobicContact CB-CB 3.81Å; V238-A379 HydrophobicContact CG2-CB 3.8Å; V238-R411 HydrophobicContact CG2-CG 4.25Å | ||
| 239 | R | 97.2 | Very high | 97.4 | Very high | 92 Ų | 92 | 27.8 Ų | 27.8 | 35% | 0.347 | 16% | 0.155 | S | C | . | . | B | Isolated β-bridge | trans | -71.8 | 104.9 | 176.6 | -63.7 | 178.2 | 65.8 | -161.8 | 6.3 | 108.1 | Y209 I232 Q233 A236 G237 | Y209-R239 HydrophobicContact CD1-CB 4.4Å; Y209-R239 HydrophobicContact CE1-CB 4.23Å; Y209-R239 WeakPolarHBondContact CE1-O 3.31Å; I232-R239 WeakPolarHBondContact CG2-O 3.46Å; Q233-R239 HydrophobicContact CB-CB 4.22Å; Q233-R239 PolarHBondContact N-O 2.89Å; Q233-R239 VanDerWaalsContact N-O 3.11Å; Q233-R239 PolarHBondContact O-N 3.47Å; A236-R239 HydrophobicContact CB-CG 4.28Å; A236-R239 WeakPolarHBondContact O-CG 3.29Å; G237-R239 VanDerWaalsContact C-N 3.34Å; G237-R239 PolarHBondContact O-N 3.16Å |
| 240 | T | 97.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 29.5 Ų | 29.5 | 25% | 0.252 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -84.8 | 124.5 | 175.4 | -52.2 | 0 | 0 | 0 | 0 | 107.6 | I232 V238 K374 | I232-T240 HydrophobicContact CD1-CG2 4.24Å; I232-T240 HydrophobicContact CG1-CG2 4.39Å; V238-T240 PolarHBondContact O-N 3.32Å; T240-K374 HydrophobicContact CG2-CD 4.29Å; T240-K374 HydrophobicContact CG2-CG 4.03Å |
| 241 | P | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 168.6 | 179.9 | 32.7 | -34.5 | 0 | 0 | 0 | 110.7 | Y209 D210 P231 Y245 | Y209-P241 HydrophobicContact CE1-CB 3.98Å; Y209-P241 HydrophobicContact CE1-CG 4.47Å; Y209-P241 WeakPolarHBondContact OH-CD 3.48Å; D210-P241 HydrophobicContact CB-CB 4.22Å; D210-P241 WeakPolarHBondContact OD1-CB 3.43Å; P231-P241 VanDerWaalsContact O-CD 3.26Å; P231-P241 WeakPolarHBondContact O-CD 3.49Å; P231-P241 WeakPolarHBondContact O-CG 3.09Å; P241-Y245 HydrophobicContact CB-CD1 3.59Å; P241-Y245 HydrophobicContact CB-CE1 4.38Å; P241-Y245 HydrophobicContact CB-CG 3.9Å; P241-Y245 HydrophobicContact CG-CD1 3.93Å |
| 242 | S | 97.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 51% | 0.51 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -63.3 | 146.6 | 172.7 | -60 | 0 | 0 | 0 | 0 | 110.8 | D210 G244 Y245 | D210-S242 VanDerWaalsContact CG-N 3.27Å; D210-S242 PolarHBondContact OD1-N 2.98Å; D210-S242 VanDerWaalsContact OD2-CB 3.32Å; D210-S242 WeakPolarHBondContact OD2-CB 3.38Å; D210-S242 PolarHBondContact OD2-N 3.35Å; D210-S242 PolarHBondContact OD2-OG 2.88Å; S242-G244 PolarHBondContact O-N 2.85Å; S242-Y245 VanDerWaalsContact O-CB 3.26Å; S242-Y245 WeakPolarHBondContact O-CB 3.47Å; S242-Y245 PolarHBondContact O-N 2.73Å; S242-Y245 VanDerWaalsContact O-N 3.13Å |
| 243 | D | 97.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 37.3 Ų | 37.3 | 74% | 0.738 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 130.6 | 178.7 | -72.5 | -27.1 | 0 | 0 | 0 | 110.7 | K374 | D243-K374 IonicContact OD1-NZ 2.83Å; D243-K374 PolarHBondContact OD1-NZ 2.89Å |
| 244 | G | 98.2 | Very high | 97.4 | Very high | 29 Ų | 29 | 41.8 Ų | 41.8 | 30% | 0.299 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -2.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S242 K247 G248 E281 | S242-G244 PolarHBondContact O-N 2.85Å; G244-K247 PolarHBondContact O-N 3.17Å; G244-G248 PolarHBondContact O-N 3.33Å; G244-E281 VanDerWaalsContact C-OE2 3.26Å; G244-E281 VanDerWaalsContact CA-OE2 3.23Å; G244-E281 WeakPolarHBondContact CA-OE2 3.26Å; G244-E281 PolarHBondContact N-OE1 2.83Å; G244-E281 PolarHBondContact N-OE2 3.08Å |
| 245 | Y | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 175.6 | 173.2 | -112.8 | 0 | 0 | 0 | 111.7 | Y209 D210 L212 V229 P241 S242 K247 G248 V249 | Y209-Y245 HydrophobicContact CD2-CE1 4.25Å; Y209-Y245 AromaticContact CE2-CE1 3.8Å; Y209-Y245 HydrophobicContact CE2-CE1 3.8Å; D210-Y245 VanDerWaalsContact CA-CE2 3.44Å; D210-Y245 WeakPolarHBondContact OD1-CB 3.44Å; D210-Y245 WeakPolarHBondContact OD1-CD2 3.47Å; L212-Y245 HydrophobicContact CD2-CD2 3.8Å; L212-Y245 HydrophobicContact CD2-CE2 3.92Å; L212-Y245 HydrophobicContact CG-CD2 4.05Å; L212-Y245 HydrophobicContact CG-CE2 4.39Å; V229-Y245 HydrophobicContact CG2-CE1 4.33Å; P241-Y245 HydrophobicContact CB-CD1 3.59Å; P241-Y245 HydrophobicContact CB-CE1 4.38Å; P241-Y245 HydrophobicContact CB-CG 3.9Å; P241-Y245 HydrophobicContact CG-CD1 3.93Å; S242-Y245 VanDerWaalsContact O-CB 3.26Å; S242-Y245 WeakPolarHBondContact O-CB 3.47Å; S242-Y245 PolarHBondContact O-N 2.73Å; S242-Y245 VanDerWaalsContact O-N 3.13Å; Y245-K247 PolarHBondContact O-N 2.86Å; Y245-G248 CarbonylContact O-C 3.37Å; Y245-G248 WeakPolarHBondContact O-CA 3.3Å; Y245-G248 PolarHBondContact O-N 2.76Å; Y245-G248 VanDerWaalsContact O-N 3.08Å; Y245-V249 HydrophobicContact CD1-CG2 4.34Å; Y245-V249 HydrophobicContact CD2-CG2 4.28Å; Y245-V249 HydrophobicContact CE1-CG2 3.95Å; Y245-V249 HydrophobicContact CE2-CG2 3.87Å; Y245-V249 WeakPolarHBondContact O-CG2 3.24Å; Y245-V249 PolarHBondContact O-N 3.14Å |
| 246 | L | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -70.3 | -34.3 | -176.9 | -59.1 | 174.7 | 0 | 0 | 0 | 111.8 | P231 G248 V249 R250 F260 V278 E281 V283 | P231-L246 HydrophobicContact CB-CD1 3.86Å; L246-G248 VanDerWaalsContact C-N 3.34Å; L246-V249 PolarHBondContact O-N 3.13Å; L246-R250 WeakPolarHBondContact O-CB 3.5Å; L246-R250 PolarHBondContact O-N 3.4Å; L246-F260 HydrophobicContact CD2-CZ 4.42Å; L246-V278 HydrophobicContact CD1-CG1 4.32Å; L246-E281 WeakPolarHBondContact CA-OE2 3.41Å; L246-E281 HydrophobicContact CB-CB 4.48Å; L246-E281 WeakPolarHBondContact CB-OE2 3.3Å; L246-E281 PolarHBondContact N-OE2 2.65Å; L246-V283 HydrophobicContact CB-CG2 3.99Å |
| 247 | K | 98.7 | Very high | 98 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57 | -45.8 | 166.1 | -84.4 | 169.4 | -172.3 | -175.4 | 0 | 111.7 | G244 Y245 R250 K251 E281 V283 | G244-K247 PolarHBondContact O-N 3.17Å; Y245-K247 PolarHBondContact O-N 2.86Å; K247-R250 PolarHBondContact O-N 3.23Å; K247-K251 WeakPolarHBondContact O-CB 3.48Å; K247-K251 PolarHBondContact O-N 3.11Å; K247-E281 HydrophobicContact CD-CB 4.26Å; K247-E281 VanDerWaalsContact CE-C 3.49Å; K247-E281 WeakPolarHBondContact CE-O 3.37Å; K247-E281 HydrophobicContact CG-CB 4.02Å; K247-E281 WeakPolarHBondContact CG-O 3.47Å; K247-E281 PolarHBondContact N-OE2 3.43Å; K247-V283 HydrophobicContact CB-CG1 4.31Å; K247-V283 HydrophobicContact CG-CG1 3.73Å |
| 248 | G | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G244 Y245 L246 R250 K251 L252 | G244-G248 PolarHBondContact O-N 3.33Å; Y245-G248 CarbonylContact O-C 3.37Å; Y245-G248 WeakPolarHBondContact O-CA 3.3Å; Y245-G248 PolarHBondContact O-N 2.76Å; Y245-G248 VanDerWaalsContact O-N 3.08Å; L246-G248 VanDerWaalsContact C-N 3.34Å; G248-R250 PolarHBondContact O-N 3.22Å; G248-K251 PolarHBondContact O-N 3.34Å; G248-L252 WeakPolarHBondContact O-CG 3.47Å; G248-L252 PolarHBondContact O-N 3.29Å |
| 249 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.1 | -49.9 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L212 L215 F227 Y245 L246 K251 L252 C253 F260 | L212-V249 HydrophobicContact CD2-CG2 4Å; L215-V249 HydrophobicContact CD2-CB 4.41Å; L215-V249 HydrophobicContact CD2-CG1 4.42Å; L215-V249 HydrophobicContact CD2-CG2 3.83Å; F227-V249 HydrophobicContact CD1-CG1 3.54Å; F227-V249 HydrophobicContact CD1-CG2 4.43Å; F227-V249 HydrophobicContact CE1-CB 4.42Å; F227-V249 HydrophobicContact CE1-CG1 3.69Å; F227-V249 HydrophobicContact CE1-CG2 3.78Å; Y245-V249 HydrophobicContact CD1-CG2 4.34Å; Y245-V249 HydrophobicContact CD2-CG2 4.28Å; Y245-V249 HydrophobicContact CE1-CG2 3.95Å; Y245-V249 HydrophobicContact CE2-CG2 3.87Å; Y245-V249 WeakPolarHBondContact O-CG2 3.24Å; Y245-V249 PolarHBondContact O-N 3.14Å; L246-V249 PolarHBondContact O-N 3.13Å; V249-K251 PolarHBondContact O-N 3.19Å; V249-L252 PolarHBondContact O-N 3.28Å; V249-C253 WeakPolarHBondContact O-CB 3.43Å; V249-C253 PolarHBondContact O-N 3.4Å; V249-C253 PolarHBondContact O-SG 3.24Å; V249-F260 HydrophobicContact CG1-CD1 4.22Å; V249-F260 HydrophobicContact CG1-CD2 3.87Å; V249-F260 HydrophobicContact CG1-CE1 4.26Å; V249-F260 HydrophobicContact CG1-CE2 3.97Å; V249-F260 HydrophobicContact CG1-CG 4.04Å; V249-F260 HydrophobicContact CG1-CZ 4.16Å |
| 250 | R | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 15% | 0.151 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 178.9 | 177.9 | 66.7 | -75.9 | 173.9 | 1.7 | 111.4 | L246 K247 G248 L252 C253 T254 F260 V283 R284 D286 | L246-R250 WeakPolarHBondContact O-CB 3.5Å; L246-R250 PolarHBondContact O-N 3.4Å; K247-R250 PolarHBondContact O-N 3.23Å; G248-R250 PolarHBondContact O-N 3.22Å; R250-L252 PolarHBondContact O-N 2.73Å; R250-C253 PolarHBondContact O-N 2.98Å; R250-T254 PolarHBondContact NE-OG1 2.92Å; R250-T254 PolarHBondContact O-N 3.26Å; R250-T254 PolarHBondContact O-OG1 3.4Å; R250-T254 VanDerWaalsContact O-OG1 3.07Å; R250-F260 HydrophobicContact CB-CD1 4.47Å; R250-V283 HydrophobicContact CB-CB 4.23Å; R250-V283 HydrophobicContact CB-CG1 4.03Å; R250-V283 HydrophobicContact CG-CB 4.46Å; R250-V283 HydrophobicContact CG-CG1 4.47Å; R250-R284 VanDerWaalsContact CD-O 3.32Å; R250-R284 WeakPolarHBondContact CD-O 3.37Å; R250-R284 PolarHBondContact NH1-O 2.81Å; R250-D286 IonicContact CZ-OD1 3.58Å; R250-D286 IonicContact CZ-OD2 3.69Å; R250-D286 IonicContact NH1-OD1 3.14Å; R250-D286 PolarHBondContact NH1-OD1 2.97Å; R250-D286 IonicContact NH1-OD2 2.76Å; R250-D286 PolarHBondContact NH1-OD2 3.1Å; R250-D286 IonicContact NH2-OD1 3.81Å; R250-D286 IonicContact NH2-OD2 3.17Å; R250-D286 PolarHBondContact NH2-OD2 2.66Å |
| 251 | K | 98.8 | Very high | 98.6 | Very high | 162 Ų | 162 | 46.5 Ų | 46.5 | 70% | 0.704 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -59 | -45.6 | 179.1 | -178.1 | -179.1 | 178.1 | -177.7 | 0 | 111.7 | K247 G248 V249 K255 | K247-K251 WeakPolarHBondContact O-CB 3.48Å; K247-K251 PolarHBondContact O-N 3.11Å; G248-K251 PolarHBondContact O-N 3.34Å; V249-K251 PolarHBondContact O-N 3.19Å; K251-K255 WeakPolarHBondContact O-CB 3.3Å; K251-K255 PolarHBondContact O-N 2.78Å |
| 252 | L | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | 179.3 | -70.4 | 176.3 | 0 | 0 | 0 | 111.9 | L212 L215 E216 L219 G248 V249 R250 T254 K255 Y256 | L212-L252 HydrophobicContact CB-CD1 4.19Å; L212-L252 HydrophobicContact CD2-CD1 4.02Å; L212-L252 WeakPolarHBondContact O-CD1 3.47Å; L215-L252 HydrophobicContact CD2-CD1 4.16Å; L215-L252 HydrophobicContact CG-CD1 4.32Å; E216-L252 HydrophobicContact CB-CD1 4.02Å; E216-L252 HydrophobicContact CB-CD2 3.9Å; E216-L252 HydrophobicContact CG-CD2 3.96Å; L219-L252 HydrophobicContact CD1-CB 3.63Å; G248-L252 WeakPolarHBondContact O-CG 3.47Å; G248-L252 PolarHBondContact O-N 3.29Å; V249-L252 PolarHBondContact O-N 3.28Å; R250-L252 PolarHBondContact O-N 2.73Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.23Å; L252-K255 WeakPolarHBondContact O-CB 3.49Å; L252-K255 PolarHBondContact O-N 3.42Å; L252-K255 VanDerWaalsContact O-N 3.12Å; L252-Y256 HydrophobicContact CD2-CE2 4.17Å; L252-Y256 VanDerWaalsContact O-CD2 3.29Å; L252-Y256 WeakPolarHBondContact O-CD2 3.5Å; L252-Y256 PolarHBondContact O-N 3.38Å |
| 253 | C | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 177.7 | -70.8 | 0 | 0 | 0 | 0 | 111.3 | V249 R250 N257 V258 F260 | V249-C253 WeakPolarHBondContact O-CB 3.43Å; V249-C253 PolarHBondContact O-N 3.4Å; V249-C253 PolarHBondContact O-SG 3.24Å; R250-C253 PolarHBondContact O-N 2.98Å; C253-N257 PolarHBondContact O-N 3.12Å; C253-N257 VanDerWaalsContact O-N 3.14Å; C253-V258 CarbonylContact C-O 3.52Å; C253-V258 VanDerWaalsContact CB-O 3.32Å; C253-V258 WeakPolarHBondContact CB-O 3.2Å; C253-V258 PolarHBondContact O-N 3.01Å; C253-F260 HydrophobicContact CB-CB 4.08Å |
| 254 | T | 98.6 | Very high | 98.7 | Very high | 94 Ų | 94 | 36.3 Ų | 36.3 | 58% | 0.577 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62.5 | -47.3 | 173.6 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | R250 L252 Y256 N257 | R250-T254 PolarHBondContact NE-OG1 2.92Å; R250-T254 PolarHBondContact O-N 3.26Å; R250-T254 PolarHBondContact O-OG1 3.4Å; R250-T254 VanDerWaalsContact O-OG1 3.07Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.23Å; T254-Y256 VanDerWaalsContact C-N 3.29Å; T254-Y256 PolarHBondContact O-N 3.18Å; T254-N257 PolarHBondContact O-N 2.87Å |
| 255 | K | 98.6 | Very high | 98.8 | Very high | 130 Ų | 130 | 35.7 Ų | 35.7 | 57% | 0.565 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -56.3 | -40.7 | -179.8 | 175.9 | 179.8 | 171.7 | -174.2 | 0 | 112.9 | E216 K251 L252 | E216-K255 IonicContact OE1-NZ 2.59Å; E216-K255 PolarHBondContact OE1-NZ 3.09Å; K251-K255 WeakPolarHBondContact O-CB 3.3Å; K251-K255 PolarHBondContact O-N 2.78Å; L252-K255 WeakPolarHBondContact O-CB 3.49Å; L252-K255 PolarHBondContact O-N 3.42Å; L252-K255 VanDerWaalsContact O-N 3.12Å |
| 256 | Y | 98.6 | Very high | 98.8 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 8.2 | -175.4 | -66 | -76.5 | 0 | 0 | 0 | 113.9 | K161 E216 L219 K220 L252 T254 V258 | K161-Y256 PolarHBondContact NZ-O 3.27Å; E216-Y256 HydrophobicContact CG-CE2 3.79Å; E216-Y256 WeakPolarHBondContact CG-OH 3.1Å; E216-Y256 WeakPolarHBondContact OE1-CE2 3.29Å; E216-Y256 PolarHBondContact OE1-OH 3.09Å; L219-Y256 HydrophobicContact CB-CD2 3.67Å; L219-Y256 HydrophobicContact CB-CE2 4.25Å; L219-Y256 HydrophobicContact CB-CG 3.88Å; L219-Y256 HydrophobicContact CD1-CD2 4.13Å; K220-Y256 HydrophobicContact CG-CE1 3.84Å; L252-Y256 HydrophobicContact CD2-CE2 4.17Å; L252-Y256 VanDerWaalsContact O-CD2 3.29Å; L252-Y256 WeakPolarHBondContact O-CD2 3.5Å; L252-Y256 PolarHBondContact O-N 3.38Å; T254-Y256 VanDerWaalsContact C-N 3.29Å; T254-Y256 PolarHBondContact O-N 3.18Å; Y256-V258 PolarHBondContact O-N 3.38Å |
| 257 | N | 98.5 | Very high | 98.8 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 49% | 0.492 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 57.3 | -174.9 | -170.9 | 28.5 | 0 | 0 | 0 | 111.4 | W156 K161 C253 T254 | W156-N257 WeakPolarHBondContact CH2-O 3.36Å; K161-N257 VanDerWaalsContact CD-O 3.31Å; K161-N257 WeakPolarHBondContact CD-O 3.27Å; K161-N257 WeakPolarHBondContact CE-O 3.27Å; K161-N257 PolarHBondContact NZ-O 3.37Å; C253-N257 PolarHBondContact O-N 3.12Å; C253-N257 VanDerWaalsContact O-N 3.14Å; T254-N257 PolarHBondContact O-N 2.87Å |
| 258 | V | 98.8 | Very high | 98.8 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | trans | -122 | 139.2 | 179.6 | 174 | 0 | 0 | 0 | 0 | 108 | L219 T224 A226 C253 Y256 | L219-V258 HydrophobicContact CD2-CB 3.83Å; L219-V258 HydrophobicContact CD2-CG1 3.65Å; L219-V258 HydrophobicContact CD2-CG2 3.7Å; T224-V258 HydrophobicContact CG2-CG1 4Å; T224-V258 HydrophobicContact CG2-CG2 4.05Å; T224-V258 WeakPolarHBondContact O-CG2 3.49Å; A226-V258 VanDerWaalsContact C-CG1 3.5Å; A226-V258 VanDerWaalsContact CA-CG1 3.44Å; C253-V258 CarbonylContact C-O 3.52Å; C253-V258 VanDerWaalsContact CB-O 3.32Å; C253-V258 WeakPolarHBondContact CB-O 3.2Å; C253-V258 PolarHBondContact O-N 3.01Å; Y256-V258 PolarHBondContact O-N 3.38Å | ||
| 259 | L | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.7 | 177.9 | -60.4 | 175.4 | 0 | 0 | 0 | 111 | A153 W156 C225 A226 F227 D286 I287 V310 | A153-L259 HydrophobicContact CB-CD1 4.09Å; W156-L259 HydrophobicContact CB-CD1 4.03Å; W156-L259 HydrophobicContact CD2-CD1 3.65Å; W156-L259 HydrophobicContact CD2-CD2 4.04Å; W156-L259 HydrophobicContact CD2-CG 3.88Å; W156-L259 HydrophobicContact CE3-CD1 3.61Å; W156-L259 HydrophobicContact CE3-CD2 4.26Å; W156-L259 HydrophobicContact CE3-CG 3.66Å; W156-L259 HydrophobicContact CG-CD1 3.83Å; W156-L259 HydrophobicContact CH2-CD2 4.28Å; W156-L259 HydrophobicContact CH2-CG 4.21Å; W156-L259 HydrophobicContact CZ2-CD2 4.05Å; W156-L259 HydrophobicContact CZ2-CG 4.4Å; W156-L259 HydrophobicContact CZ3-CD1 4.3Å; W156-L259 HydrophobicContact CZ3-CD2 4.38Å; W156-L259 HydrophobicContact CZ3-CG 3.84Å; C225-L259 PolarHBondContact O-N 2.72Å; A226-L259 CarbonylContact C-O 3.45Å; A226-L259 WeakPolarHBondContact CA-O 3.43Å; A226-L259 HydrophobicContact CB-CB 4.12Å; A226-L259 WeakPolarHBondContact CB-O 3.35Å; F227-L259 PolarHBondContact N-O 3.28Å; L259-D286 WeakPolarHBondContact CA-OD2 3.48Å; L259-D286 HydrophobicContact CB-CB 4.27Å; L259-D286 HydrophobicContact CD2-CB 3.81Å; L259-I287 HydrophobicContact CD1-CD1 4.45Å; L259-V310 HydrophobicContact CD1-CG1 4.15Å; L259-V310 HydrophobicContact CD1-CG2 4.19Å; L259-V310 HydrophobicContact CD2-CG2 3.75Å |
| 260 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.5 | 168.6 | 175.9 | -160.2 | 0 | 0 | 0 | 109.5 | V229 L246 V249 R250 C253 A262 V278 V283 P285 D286 I287 | V229-F260 HydrophobicContact CG1-CD2 4.23Å; V229-F260 HydrophobicContact CG1-CE2 3.5Å; V229-F260 HydrophobicContact CG1-CZ 4.35Å; L246-F260 HydrophobicContact CD2-CZ 4.42Å; V249-F260 HydrophobicContact CG1-CD1 4.22Å; V249-F260 HydrophobicContact CG1-CD2 3.87Å; V249-F260 HydrophobicContact CG1-CE1 4.26Å; V249-F260 HydrophobicContact CG1-CE2 3.97Å; V249-F260 HydrophobicContact CG1-CG 4.04Å; V249-F260 HydrophobicContact CG1-CZ 4.16Å; R250-F260 HydrophobicContact CB-CD1 4.47Å; C253-F260 HydrophobicContact CB-CB 4.08Å; F260-A262 HydrophobicContact CE2-CB 4.03Å; F260-A262 HydrophobicContact CZ-CB 4.1Å; F260-V278 HydrophobicContact CZ-CG1 4.4Å; F260-V283 HydrophobicContact CE1-CG2 4.12Å; F260-P285 HydrophobicContact CD1-CB 3.98Å; F260-P285 HydrophobicContact CD1-CG 4.22Å; F260-P285 HydrophobicContact CE1-CB 4.15Å; F260-P285 HydrophobicContact CE1-CG 3.89Å; F260-P285 HydrophobicContact CG-CB 4.2Å; F260-P285 HydrophobicContact CZ-CB 4.48Å; F260-P285 HydrophobicContact CZ-CG 4.14Å; F260-P285 WeakPolarHBondContact O-CB 3.29Å; F260-D286 PolarHBondContact N-OD2 3.32Å; F260-D286 PolarHBondContact O-N 3.26Å; F260-I287 PolarHBondContact O-N 2.95Å; F260-I287 VanDerWaalsContact O-N 3.11Å |
| 261 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115 | 173.5 | -49.7 | 178.3 | 0 | 0 | 0 | 108.4 | A153 A226 F227 M228 V229 I287 L289 | A153-I261 HydrophobicContact CB-CD1 4.05Å; A226-I261 HydrophobicContact CB-CD1 3.73Å; A226-I261 HydrophobicContact CB-CG1 4.11Å; F227-I261 PolarHBondContact O-N 2.79Å; M228-I261 WeakPolarHBondContact CA-O 3.36Å; M228-I261 HydrophobicContact CB-CB 4.02Å; M228-I261 HydrophobicContact CB-CD1 4.41Å; M228-I261 HydrophobicContact CB-CG2 4.41Å; M228-I261 HydrophobicContact CG-CB 4.11Å; M228-I261 HydrophobicContact CG-CG2 3.97Å; M228-I261 HydrophobicContact SD-CG2 4.26Å; V229-I261 PolarHBondContact N-O 2.75Å; I261-I287 WeakPolarHBondContact CA-O 3.46Å; I261-I287 HydrophobicContact CB-CB 4.41Å; I261-I287 HydrophobicContact CD1-CD1 4.19Å; I261-I287 HydrophobicContact CG1-CB 4.11Å; I261-I287 HydrophobicContact CG1-CD1 4.07Å; I261-I287 HydrophobicContact CG1-CG1 4.31Å; I261-I287 HydrophobicContact CG2-CB 4.16Å; I261-I287 HydrophobicContact CG2-CG2 4.31Å; I261-L289 HydrophobicContact CG2-CD1 4.18Å; I261-L289 HydrophobicContact CG2-CD2 4.15Å; I261-L289 HydrophobicContact CG2-CG 4.1Å |
| 262 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V229 P231 F260 E264 V278 P285 I287 V288 L289 | V229-A262 WeakPolarHBondContact O-CA 3.19Å; P231-A262 HydrophobicContact CG-CB 4.5Å; F260-A262 HydrophobicContact CE2-CB 4.03Å; F260-A262 HydrophobicContact CZ-CB 4.1Å; A262-E264 HydrophobicContact CB-CG 4.26Å; A262-E264 PolarHBondContact O-N 3.05Å; A262-V278 HydrophobicContact CB-CG1 3.91Å; A262-P285 HydrophobicContact CB-CB 3.8Å; A262-P285 HydrophobicContact CB-CG 3.36Å; A262-I287 PolarHBondContact N-O 3.19Å; A262-V288 HydrophobicContact CB-CG2 4.45Å; A262-L289 PolarHBondContact O-N 3.16Å |
| 263 | D | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 5% | 0.048 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 95.8 | 169.4 | -168.8 | -22.9 | 0 | 0 | 0 | 109.6 | M228 V229 E230 P231 I265 L289 | M228-D263 HydrophobicContact CE-CB 4.08Å; V229-D263 PolarHBondContact O-N 3.44Å; E230-D263 HydrophobicContact CG-CB 4.06Å; P231-D263 WeakPolarHBondContact CD-O 2.99Å; D263-I265 WeakPolarHBondContact OD1-CB 3.43Å; D263-I265 VanDerWaalsContact OD1-CD1 3.29Å; D263-I265 WeakPolarHBondContact OD1-CD1 3.37Å; D263-I265 VanDerWaalsContact OD1-CG1 3.23Å; D263-I265 WeakPolarHBondContact OD1-CG1 3.35Å; D263-I265 PolarHBondContact OD1-N 2.87Å; D263-L289 HydrophobicContact CB-CD1 4.32Å |
| 264 | E | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -99.3 | 15.2 | 178.4 | -70.7 | -90.8 | -158.6 | 0 | 0 | 111.7 | P231 A262 Q266 T267 G268 L276 C277 V278 V288 L289 L290 | P231-E264 HydrophobicContact CG-CG 4.15Å; A262-E264 HydrophobicContact CB-CG 4.26Å; A262-E264 PolarHBondContact O-N 3.05Å; E264-Q266 PolarHBondContact O-N 3.08Å; E264-T267 VanDerWaalsContact OE2-C 3.29Å; E264-T267 PolarHBondContact OE2-OG1 3.15Å; E264-G268 WeakPolarHBondContact O-CA 3.26Å; E264-G268 PolarHBondContact O-N 2.69Å; E264-G268 VanDerWaalsContact OE2-CA 3.27Å; E264-G268 WeakPolarHBondContact OE2-CA 3.39Å; E264-G268 PolarHBondContact OE2-N 3.3Å; E264-L276 HydrophobicContact CB-CD2 4.31Å; E264-L276 HydrophobicContact CG-CD2 4.31Å; E264-L276 WeakPolarHBondContact OE1-CB 3.39Å; E264-C277 VanDerWaalsContact CD-N 3.26Å; E264-C277 WeakPolarHBondContact OE1-CA 3.45Å; E264-C277 PolarHBondContact OE1-N 2.86Å; E264-C277 WeakPolarHBondContact OE2-CB 3.35Å; E264-C277 PolarHBondContact OE2-N 3.42Å; E264-V278 WeakPolarHBondContact OE1-CG1 3.47Å; E264-V278 WeakPolarHBondContact OE1-CG2 3.12Å; E264-V278 PolarHBondContact OE1-N 3.46Å; E264-V288 HydrophobicContact CB-CG1 4.18Å; E264-V288 HydrophobicContact CG-CG1 4.23Å; E264-L289 CarbonylContact C-O 3.51Å; E264-L289 VanDerWaalsContact C-O 3.24Å; E264-L289 WeakPolarHBondContact CA-O 3.41Å; E264-L289 WeakPolarHBondContact CB-O 3.49Å; E264-L289 PolarHBondContact N-O 3.47Å; E264-L290 HydrophobicContact CB-CD2 3.94Å | ||
| 265 | I | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -40 | -176.7 | -70.7 | 161.7 | 0 | 0 | 0 | 110.6 | G142 D263 L289 K292 | G142-I265 VanDerWaalsContact CA-CD1 3.4Å; G142-I265 WeakPolarHBondContact O-CD1 3.33Å; D263-I265 WeakPolarHBondContact OD1-CB 3.43Å; D263-I265 VanDerWaalsContact OD1-CD1 3.29Å; D263-I265 WeakPolarHBondContact OD1-CD1 3.37Å; D263-I265 VanDerWaalsContact OD1-CG1 3.23Å; D263-I265 WeakPolarHBondContact OD1-CG1 3.35Å; D263-I265 PolarHBondContact OD1-N 2.87Å; I265-L289 HydrophobicContact CD1-CB 4.06Å; I265-L289 HydrophobicContact CG1-CB 4.03Å; I265-L289 PolarHBondContact N-O 3.12Å; I265-K292 HydrophobicContact CG2-CB 4.32Å; I265-K292 HydrophobicContact CG2-CD 3.78Å; I265-K292 HydrophobicContact CG2-CG 3.64Å; I265-K292 WeakPolarHBondContact O-CB 3.29Å; I265-K292 WeakPolarHBondContact O-CD 3.08Å |
| 266 | Q | 98.6 | Very high | 98.7 | Very high | 13 Ų | 13 | 18.9 Ų | 18.9 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -32.8 | 177.5 | -167.3 | 159.3 | 40.4 | 0 | 0 | 114.3 | Y85 G234 E264 R271 K292 | Y85-Q266 PolarHBondContact O-NE2 2.87Å; G234-Q266 VanDerWaalsContact CA-OE1 3.23Å; E264-Q266 PolarHBondContact O-N 3.08Å; Q266-R271 WeakPolarHBondContact O-CG 3.17Å; Q266-K292 HydrophobicContact CB-CD 4.4Å |
| 267 | T | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -19.8 | -170.5 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | I232 E264 T272 L377 | I232-T267 HydrophobicContact CB-CG2 3.84Å; I232-T267 WeakPolarHBondContact O-CG2 3.28Å; E264-T267 VanDerWaalsContact OE2-C 3.29Å; E264-T267 PolarHBondContact OE2-OG1 3.15Å; T267-T272 WeakPolarHBondContact O-CG2 3.32Å; T267-T272 PolarHBondContact O-OG1 3.3Å; T267-L377 HydrophobicContact CG2-CD2 4.09Å |
| 268 | G | 98.5 | Very high | 98.7 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -169.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E264 G270 R271 R275 | E264-G268 WeakPolarHBondContact O-CA 3.26Å; E264-G268 PolarHBondContact O-N 2.69Å; E264-G268 VanDerWaalsContact OE2-CA 3.27Å; E264-G268 WeakPolarHBondContact OE2-CA 3.39Å; E264-G268 PolarHBondContact OE2-N 3.3Å; G268-G270 PolarHBondContact O-N 2.64Å; G268-R271 VanDerWaalsContact O-CB 3.31Å; G268-R271 WeakPolarHBondContact O-CB 3.31Å; G268-R271 PolarHBondContact O-N 2.98Å; G268-R275 CarbonylContact C-O 3.52Å |
| 269 | L | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 51.1 | 175.3 | -53.9 | 177.3 | 0 | 0 | 0 | 112.3 | N89 F131 R271 R275 L290 A293 L294 L337 L340 | N89-L269 PolarHBondContact ND2-O 3.06Å; F131-L269 HydrophobicContact CE1-CD2 4.17Å; F131-L269 HydrophobicContact CZ-CD2 3.63Å; L269-R271 PolarHBondContact O-N 3.39Å; L269-R275 WeakPolarHBondContact CA-O 3.29Å; L269-R275 PolarHBondContact N-O 2.82Å; L269-L290 HydrophobicContact CD2-CD1 4.3Å; L269-L290 HydrophobicContact CD2-CD2 4.38Å; L269-L290 HydrophobicContact CG-CD2 4.43Å; L269-A293 HydrophobicContact CB-CB 4.18Å; L269-A293 VanDerWaalsContact CD1-C 3.41Å; L269-A293 HydrophobicContact CD1-CB 3.84Å; L269-L294 VanDerWaalsContact CD1-CA 3.44Å; L269-L294 HydrophobicContact CD1-CB 3.89Å; L269-L337 HydrophobicContact CD2-CD2 3.75Å; L269-L340 HydrophobicContact CB-CD2 4.16Å; L269-L340 HydrophobicContact CD2-CD2 4.28Å; L269-L340 WeakPolarHBondContact O-CD1 3.39Å |
| 270 | G | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -13.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G268 T272 G273 K274 R275 A349 | G268-G270 PolarHBondContact O-N 2.64Å; G270-T272 VanDerWaalsContact C-N 3.26Å; G270-T272 PolarHBondContact O-N 3.26Å; G270-T272 VanDerWaalsContact O-N 3.11Å; G270-G273 PolarHBondContact O-N 2.9Å; G270-K274 WeakPolarHBondContact CA-O 3.46Å; G270-K274 PolarHBondContact N-O 2.82Å; G270-R275 PolarHBondContact N-O 3.09Å; G270-A349 VanDerWaalsContact O-CB 3.31Å; G270-A349 WeakPolarHBondContact O-CB 3.28Å |
| 271 | R | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -41.9 | -171.2 | 171.5 | 52.6 | 57.1 | -175.4 | 2.1 | 113.3 | S83 S86 N89 Q266 G268 L269 L376 L377 P414 L416 | S83-R271 PolarHBondContact OG-NH2 3.35Å; S86-R271 PolarHBondContact OG-NE 3.27Å; N89-R271 VanDerWaalsContact OD1-CZ 3.3Å; N89-R271 PolarHBondContact OD1-NE 3.35Å; N89-R271 VanDerWaalsContact OD1-NE 3.15Å; N89-R271 PolarHBondContact OD1-NH2 3.12Å; Q266-R271 WeakPolarHBondContact O-CG 3.17Å; G268-R271 VanDerWaalsContact O-CB 3.31Å; G268-R271 WeakPolarHBondContact O-CB 3.31Å; G268-R271 PolarHBondContact O-N 2.98Å; L269-R271 PolarHBondContact O-N 3.39Å; R271-L376 PolarHBondContact NH1-O 3.39Å; R271-L376 PolarHBondContact O-N 2.89Å; R271-L377 HydrophobicContact CG-CB 3.79Å; R271-L377 HydrophobicContact CG-CD2 4.42Å; R271-L377 HydrophobicContact CG-CG 4.49Å; R271-P414 VanDerWaalsContact CZ-O 3.31Å; R271-P414 PolarHBondContact NH1-O 3.41Å; R271-P414 PolarHBondContact NH2-O 2.91Å; R271-L416 VanDerWaalsContact CZ-CD2 3.45Å |
| 272 | T | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.1 | -175.5 | 58.6 | 0 | 0 | 0 | 0 | 114 | I232 T267 G270 C277 H280 K374 G375 L377 | I232-T272 HydrophobicContact CD1-CG2 4.02Å; T267-T272 WeakPolarHBondContact O-CG2 3.32Å; T267-T272 PolarHBondContact O-OG1 3.3Å; G270-T272 VanDerWaalsContact C-N 3.26Å; G270-T272 PolarHBondContact O-N 3.26Å; G270-T272 VanDerWaalsContact O-N 3.11Å; T272-C277 HydrophobicContact CG2-CB 4.07Å; T272-C277 WeakPolarHBondContact OG1-CA 3.39Å; T272-C277 WeakPolarHBondContact OG1-CB 3.48Å; T272-H280 PolarHBondContact O-CE1 2.79Å; T272-H280 PolarHBondContact O-NE2 3.37Å; T272-K374 HydrophobicContact CG2-CB 4.46Å; T272-K374 CarbonylContact O-C 3.46Å; T272-G375 VanDerWaalsContact C-CA 3.48Å; T272-G375 WeakPolarHBondContact O-CA 3.45Å; T272-G375 PolarHBondContact O-N 3.36Å; T272-G375 VanDerWaalsContact O-N 3.11Å; T272-L377 HydrophobicContact CG2-CB 4.49Å; T272-L377 HydrophobicContact CG2-CD2 4.43Å |
| 273 | G | 98.5 | Very high | 98.5 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 6% | 0.062 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 98.8 | -0.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G270 A346 | G270-G273 PolarHBondContact O-N 2.9Å; G273-A346 CarbonylContact C-O 3.56Å; G273-A346 VanDerWaalsContact CA-O 3.24Å; G273-A346 WeakPolarHBondContact CA-O 3.27Å |
| 274 | K | 98.5 | Very high | 98.5 | Very high | 98 Ų | 98 | 29 Ų | 29 | 43% | 0.426 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -134.9 | 160.9 | 174.6 | -67.2 | -68.6 | -175.7 | 176.5 | 0 | 109.1 | G270 L276 N279 H280 | G270-K274 WeakPolarHBondContact CA-O 3.46Å; G270-K274 PolarHBondContact N-O 2.82Å; K274-L276 VanDerWaalsContact CB-O 3.28Å; K274-L276 WeakPolarHBondContact CB-O 3.41Å; K274-L276 PolarHBondContact O-N 3.2Å; K274-N279 HydrophobicContact CB-CB 4.15Å; K274-N279 HydrophobicContact CG-CB 4.47Å; K274-H280 WeakPolarHBondContact CG-NE2 3.36Å |
| 275 | R | 98 | Very high | 98.5 | Very high | 88 Ų | 88 | 29 Ų | 29 | 33% | 0.332 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -54.1 | -51.9 | 178.2 | -174 | -176.8 | -66.1 | 138.9 | 8.3 | 111.2 | M130 F131 G268 L269 G270 E341 | M130-R275 PolarHBondContact O-NH1 3.39Å; F131-R275 HydrophobicContact CD1-CG 4.27Å; F131-R275 HydrophobicContact CE1-CG 3.73Å; G268-R275 CarbonylContact C-O 3.52Å; L269-R275 WeakPolarHBondContact CA-O 3.29Å; L269-R275 PolarHBondContact N-O 2.82Å; G270-R275 PolarHBondContact N-O 3.09Å; R275-E341 IonicContact CZ-OE1 3.95Å; R275-E341 IonicContact CZ-OE2 3.33Å; R275-E341 IonicContact NE-OE1 3.65Å; R275-E341 PolarHBondContact NE-OE1 3.36Å; R275-E341 IonicContact NE-OE2 3.21Å; R275-E341 VanDerWaalsContact NH2-CD 3.32Å; R275-E341 IonicContact NH2-OE1 2.81Å; R275-E341 PolarHBondContact NH2-OE1 3.23Å; R275-E341 IonicContact NH2-OE2 2.95Å; R275-E341 PolarHBondContact NH2-OE2 3.34Å |
| 276 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -115.6 | 146.5 | 165.9 | -58 | 178.2 | 0 | 0 | 0 | 109.2 | F131 E264 K274 V278 N279 V288 L290 | F131-L276 HydrophobicContact CD1-CD1 3.99Å; F131-L276 HydrophobicContact CD1-CD2 3.86Å; F131-L276 HydrophobicContact CD1-CG 3.95Å; F131-L276 HydrophobicContact CE1-CD2 3.74Å; F131-L276 HydrophobicContact CE1-CG 4.18Å; E264-L276 HydrophobicContact CB-CD2 4.31Å; E264-L276 HydrophobicContact CG-CD2 4.31Å; E264-L276 WeakPolarHBondContact OE1-CB 3.39Å; K274-L276 VanDerWaalsContact CB-O 3.28Å; K274-L276 WeakPolarHBondContact CB-O 3.41Å; K274-L276 PolarHBondContact O-N 3.2Å; L276-V278 VanDerWaalsContact C-N 3.26Å; L276-V278 HydrophobicContact CB-CG2 3.77Å; L276-V278 HydrophobicContact CD1-CG2 4.25Å; L276-V278 PolarHBondContact O-N 3.33Å; L276-N279 WeakPolarHBondContact CB-OD1 3.35Å; L276-N279 PolarHBondContact N-OD1 3.17Å; L276-N279 VanDerWaalsContact N-OD1 3.09Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; L276-N279 PolarHBondContact O-N 3Å; L276-N279 VanDerWaalsContact O-N 3.09Å; L276-N279 PolarHBondContact O-OD1 3.01Å; L276-V288 HydrophobicContact CD1-CG1 4.23Å; L276-V288 HydrophobicContact CD1-CG2 4.28Å; L276-V288 HydrophobicContact CD2-CG1 4.32Å; L276-L290 HydrophobicContact CD2-CD2 3.73Å |
| 277 | C | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -62.1 | -35.2 | 177.8 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | P231 E264 T272 N279 H280 | P231-C277 HydrophobicContact CB-CB 3.63Å; P231-C277 VanDerWaalsContact CB-SG 3.55Å; P231-C277 HydrophobicContact CG-CB 4.14Å; E264-C277 VanDerWaalsContact CD-N 3.26Å; E264-C277 WeakPolarHBondContact OE1-CA 3.45Å; E264-C277 PolarHBondContact OE1-N 2.86Å; E264-C277 WeakPolarHBondContact OE2-CB 3.35Å; E264-C277 PolarHBondContact OE2-N 3.42Å; T272-C277 HydrophobicContact CG2-CB 4.07Å; T272-C277 WeakPolarHBondContact OG1-CA 3.39Å; T272-C277 WeakPolarHBondContact OG1-CB 3.48Å; C277-N279 PolarHBondContact O-N 2.64Å; C277-N279 VanDerWaalsContact O-N 3.12Å; C277-H280 WeakPolarHBondContact O-CB 3.24Å; C277-H280 PolarHBondContact O-CD2 3.02Å; C277-H280 PolarHBondContact O-N 3.25Å |
| 278 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -57.9 | -24.1 | 174.9 | -67.4 | 0 | 0 | 0 | 0 | 113.1 | P231 L246 F260 A262 E264 L276 H280 E281 D282 V283 P285 | P231-V278 HydrophobicContact CB-CG1 4.43Å; P231-V278 HydrophobicContact CG-CG1 3.77Å; L246-V278 HydrophobicContact CD1-CG1 4.32Å; F260-V278 HydrophobicContact CZ-CG1 4.4Å; A262-V278 HydrophobicContact CB-CG1 3.91Å; E264-V278 WeakPolarHBondContact OE1-CG1 3.47Å; E264-V278 WeakPolarHBondContact OE1-CG2 3.12Å; E264-V278 PolarHBondContact OE1-N 3.46Å; L276-V278 VanDerWaalsContact C-N 3.26Å; L276-V278 HydrophobicContact CB-CG2 3.77Å; L276-V278 HydrophobicContact CD1-CG2 4.25Å; L276-V278 PolarHBondContact O-N 3.33Å; V278-H280 PolarHBondContact O-N 2.92Å; V278-E281 PolarHBondContact O-N 3.43Å; V278-E281 VanDerWaalsContact O-N 3.09Å; V278-D282 PolarHBondContact O-N 2.9Å; V278-V283 HydrophobicContact CB-CG2 3.72Å; V278-V283 HydrophobicContact CG1-CG2 4.16Å; V278-V283 PolarHBondContact O-N 3.48Å; V278-P285 HydrophobicContact CB-CG 4.39Å; V278-P285 HydrophobicContact CG1-CG 3.93Å; V278-P285 HydrophobicContact CG2-CG 4.13Å |
| 279 | N | 98.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -70.7 | -11.9 | 177.4 | -57.6 | 138.2 | 0 | 0 | 0 | 113.3 | K274 L276 C277 E281 D282 | K274-N279 HydrophobicContact CB-CB 4.15Å; K274-N279 HydrophobicContact CG-CB 4.47Å; L276-N279 WeakPolarHBondContact CB-OD1 3.35Å; L276-N279 PolarHBondContact N-OD1 3.17Å; L276-N279 VanDerWaalsContact N-OD1 3.09Å; L276-N279 WeakPolarHBondContact O-CB 3.47Å; L276-N279 PolarHBondContact O-N 3Å; L276-N279 VanDerWaalsContact O-N 3.09Å; L276-N279 PolarHBondContact O-OD1 3.01Å; C277-N279 PolarHBondContact O-N 2.64Å; C277-N279 VanDerWaalsContact O-N 3.12Å; N279-E281 PolarHBondContact O-N 3.19Å; N279-D282 PolarHBondContact O-N 3.1Å |
| 280 | H | 98.3 | Very high | 98.5 | Very high | 52 Ų | 52 | 29.1 Ų | 29.1 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -64.6 | -24 | 168.6 | -79.1 | -78.1 | 0 | 0 | 0 | 112.6 | T272 K274 C277 V278 | T272-H280 PolarHBondContact O-CE1 2.79Å; T272-H280 PolarHBondContact O-NE2 3.37Å; K274-H280 WeakPolarHBondContact CG-NE2 3.36Å; C277-H280 WeakPolarHBondContact O-CB 3.24Å; C277-H280 PolarHBondContact O-CD2 3.02Å; C277-H280 PolarHBondContact O-N 3.25Å; V278-H280 PolarHBondContact O-N 2.92Å |
| 281 | E | 98.1 | Very high | 98.5 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -116.4 | 18.1 | 177.5 | -62.2 | -163.9 | -169.4 | 0 | 0 | 112.6 | G244 L246 K247 V278 N279 V283 | G244-E281 VanDerWaalsContact C-OE2 3.26Å; G244-E281 VanDerWaalsContact CA-OE2 3.23Å; G244-E281 WeakPolarHBondContact CA-OE2 3.26Å; G244-E281 PolarHBondContact N-OE1 2.83Å; G244-E281 PolarHBondContact N-OE2 3.08Å; L246-E281 WeakPolarHBondContact CA-OE2 3.41Å; L246-E281 HydrophobicContact CB-CB 4.48Å; L246-E281 WeakPolarHBondContact CB-OE2 3.3Å; L246-E281 PolarHBondContact N-OE2 2.65Å; K247-E281 HydrophobicContact CD-CB 4.26Å; K247-E281 VanDerWaalsContact CE-C 3.49Å; K247-E281 WeakPolarHBondContact CE-O 3.37Å; K247-E281 HydrophobicContact CG-CB 4.02Å; K247-E281 WeakPolarHBondContact CG-O 3.47Å; K247-E281 PolarHBondContact N-OE2 3.43Å; V278-E281 PolarHBondContact O-N 3.43Å; V278-E281 VanDerWaalsContact O-N 3.09Å; N279-E281 PolarHBondContact O-N 3.19Å; E281-V283 HydrophobicContact CB-CG1 4.35Å; E281-V283 WeakPolarHBondContact O-CG1 3.38Å; E281-V283 PolarHBondContact O-N 3.46Å |
| 282 | D | 97.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 31.8 Ų | 31.8 | 75% | 0.749 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 30.3 | 178.4 | -52.8 | -56.2 | 0 | 0 | 0 | 113.9 | V278 N279 | V278-D282 PolarHBondContact O-N 2.9Å; N279-D282 PolarHBondContact O-N 3.1Å |
| 283 | V | 97.7 | Very high | 98.5 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | trans | -99.4 | 141.1 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | L246 K247 R250 F260 V278 E281 | L246-V283 HydrophobicContact CB-CG2 3.99Å; K247-V283 HydrophobicContact CB-CG1 4.31Å; K247-V283 HydrophobicContact CG-CG1 3.73Å; R250-V283 HydrophobicContact CB-CB 4.23Å; R250-V283 HydrophobicContact CB-CG1 4.03Å; R250-V283 HydrophobicContact CG-CB 4.46Å; R250-V283 HydrophobicContact CG-CG1 4.47Å; F260-V283 HydrophobicContact CE1-CG2 4.12Å; V278-V283 HydrophobicContact CB-CG2 3.72Å; V278-V283 HydrophobicContact CG1-CG2 4.16Å; V278-V283 PolarHBondContact O-N 3.48Å; E281-V283 HydrophobicContact CB-CG1 4.35Å; E281-V283 WeakPolarHBondContact O-CG1 3.38Å; E281-V283 PolarHBondContact O-N 3.46Å | ||
| 284 | R | 98.4 | Very high | 98.5 | Very high | 99 Ų | 99 | 31.7 Ų | 31.7 | 37% | 0.374 | 15% | 0.147 | S | C | . | . | trans | -108.5 | 111.2 | 172.1 | -172.1 | 175.5 | 177.8 | -87 | 9.1 | 109.8 | G132 R250 D307 | G132-R284 PolarHBondContact O-NE 2.94Å; G132-R284 VanDerWaalsContact O-NE 3.16Å; G132-R284 PolarHBondContact O-NH2 2.98Å; R250-R284 VanDerWaalsContact CD-O 3.32Å; R250-R284 WeakPolarHBondContact CD-O 3.37Å; R250-R284 PolarHBondContact NH1-O 2.81Å; R284-D307 IonicContact CZ-OD1 3.05Å; R284-D307 IonicContact CZ-OD2 2.73Å; R284-D307 VanDerWaalsContact CZ-OD2 3.29Å; R284-D307 IonicContact NH1-OD1 3.92Å; R284-D307 IonicContact NH1-OD2 2.65Å; R284-D307 PolarHBondContact NH1-OD2 3.23Å; R284-D307 IonicContact NH2-OD1 2.91Å; R284-D307 PolarHBondContact NH2-OD1 3.18Å; R284-D307 IonicContact NH2-OD2 2.7Å; R284-D307 PolarHBondContact NH2-OD2 3.09Å | ||
| 285 | P | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | trans | -63 | 162.2 | 170.1 | -20.7 | 33.4 | 0 | 0 | 0 | 111.9 | Y133 F260 A262 V278 I287 V288 | Y133-P285 PolarHBondContact OH-O 2.65Å; Y133-P285 VanDerWaalsContact OH-O 3.08Å; F260-P285 HydrophobicContact CD1-CB 3.98Å; F260-P285 HydrophobicContact CD1-CG 4.22Å; F260-P285 HydrophobicContact CE1-CB 4.15Å; F260-P285 HydrophobicContact CE1-CG 3.89Å; F260-P285 HydrophobicContact CG-CB 4.2Å; F260-P285 HydrophobicContact CZ-CB 4.48Å; F260-P285 HydrophobicContact CZ-CG 4.14Å; F260-P285 WeakPolarHBondContact O-CB 3.29Å; A262-P285 HydrophobicContact CB-CB 3.8Å; A262-P285 HydrophobicContact CB-CG 3.36Å; V278-P285 HydrophobicContact CB-CG 4.39Å; V278-P285 HydrophobicContact CG1-CG 3.93Å; V278-P285 HydrophobicContact CG2-CG 4.13Å; P285-I287 WeakPolarHBondContact CB-O 3.37Å; P285-V288 HydrophobicContact CB-CG2 3.94Å; P285-V288 HydrophobicContact CG-CG2 3.79Å | ||
| 286 | D | 98.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 23.1 Ų | 23.1 | 20% | 0.198 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -81.7 | -28.7 | 173 | -55.4 | -50.3 | 0 | 0 | 0 | 111.2 | R250 L259 F260 | R250-D286 IonicContact CZ-OD1 3.58Å; R250-D286 IonicContact CZ-OD2 3.69Å; R250-D286 IonicContact NH1-OD1 3.14Å; R250-D286 PolarHBondContact NH1-OD1 2.97Å; R250-D286 IonicContact NH1-OD2 2.76Å; R250-D286 PolarHBondContact NH1-OD2 3.1Å; R250-D286 IonicContact NH2-OD1 3.81Å; R250-D286 IonicContact NH2-OD2 3.17Å; R250-D286 PolarHBondContact NH2-OD2 2.66Å; L259-D286 WeakPolarHBondContact CA-OD2 3.48Å; L259-D286 HydrophobicContact CB-CB 4.27Å; L259-D286 HydrophobicContact CD2-CB 3.81Å; F260-D286 PolarHBondContact N-OD2 3.32Å; F260-D286 PolarHBondContact O-N 3.26Å |
| 287 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134 | 172.1 | -49.7 | -177.3 | 0 | 0 | 0 | 109.3 | L152 L259 F260 I261 A262 P285 L289 V304 L305 A306 V310 | L152-I287 HydrophobicContact CB-CD1 4.16Å; L259-I287 HydrophobicContact CD1-CD1 4.45Å; F260-I287 PolarHBondContact O-N 2.95Å; F260-I287 VanDerWaalsContact O-N 3.11Å; I261-I287 WeakPolarHBondContact CA-O 3.46Å; I261-I287 HydrophobicContact CB-CB 4.41Å; I261-I287 HydrophobicContact CD1-CD1 4.19Å; I261-I287 HydrophobicContact CG1-CB 4.11Å; I261-I287 HydrophobicContact CG1-CD1 4.07Å; I261-I287 HydrophobicContact CG1-CG1 4.31Å; I261-I287 HydrophobicContact CG2-CB 4.16Å; I261-I287 HydrophobicContact CG2-CG2 4.31Å; A262-I287 PolarHBondContact N-O 3.19Å; P285-I287 WeakPolarHBondContact CB-O 3.37Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; I287-V304 HydrophobicContact CG2-CG1 3.44Å; I287-V304 VanDerWaalsContact CG2-CG1 3.44Å; I287-L305 CarbonylContact C-O 3.41Å; I287-L305 VanDerWaalsContact CA-O 3.27Å; I287-L305 WeakPolarHBondContact CA-O 3.35Å; I287-A306 HydrophobicContact CG1-CB 4.11Å; I287-V310 HydrophobicContact CD1-CG1 3.79Å; I287-V310 HydrophobicContact CG1-CG1 4.08Å |
| 288 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136 | 171.1 | 167.9 | 0 | 0 | 0 | 0 | 110.2 | Y133 A262 E264 L276 P285 L290 L305 | Y133-V288 HydrophobicContact CE2-CB 4.27Å; Y133-V288 HydrophobicContact CE2-CG2 4.03Å; Y133-V288 WeakPolarHBondContact OH-CG2 3.34Å; A262-V288 HydrophobicContact CB-CG2 4.45Å; E264-V288 HydrophobicContact CB-CG1 4.18Å; E264-V288 HydrophobicContact CG-CG1 4.23Å; L276-V288 HydrophobicContact CD1-CG1 4.23Å; L276-V288 HydrophobicContact CD1-CG2 4.28Å; L276-V288 HydrophobicContact CD2-CG1 4.32Å; P285-V288 HydrophobicContact CB-CG2 3.94Å; P285-V288 HydrophobicContact CG-CG2 3.79Å; V288-L290 HydrophobicContact CG1-CD2 3.9Å; V288-L290 HydrophobicContact CG1-CG 4.07Å; V288-L305 HydrophobicContact CB-CB 4.48Å; V288-L305 HydrophobicContact CB-CD1 4.5Å; V288-L305 HydrophobicContact CG1-CD1 4.32Å; V288-L305 PolarHBondContact N-O 3.21Å; V288-L305 PolarHBondContact O-N 3.49Å |
| 289 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.9 | 174.4 | -41.7 | -176.4 | 0 | 0 | 0 | 109.9 | A145 S149 M228 I261 A262 D263 E264 I265 I287 V304 | A145-L289 HydrophobicContact CB-CB 4.44Å; S149-L289 VanDerWaalsContact CB-CD2 3.44Å; M228-L289 HydrophobicContact CE-CD1 3.47Å; M228-L289 VanDerWaalsContact CE-CD1 3.47Å; M228-L289 HydrophobicContact SD-CD1 4.35Å; I261-L289 HydrophobicContact CG2-CD1 4.18Å; I261-L289 HydrophobicContact CG2-CD2 4.15Å; I261-L289 HydrophobicContact CG2-CG 4.1Å; A262-L289 PolarHBondContact O-N 3.16Å; D263-L289 HydrophobicContact CB-CD1 4.32Å; E264-L289 CarbonylContact C-O 3.51Å; E264-L289 VanDerWaalsContact C-O 3.24Å; E264-L289 WeakPolarHBondContact CA-O 3.41Å; E264-L289 WeakPolarHBondContact CB-O 3.49Å; E264-L289 PolarHBondContact N-O 3.47Å; I265-L289 HydrophobicContact CD1-CB 4.06Å; I265-L289 HydrophobicContact CG1-CB 4.03Å; I265-L289 PolarHBondContact N-O 3.12Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; L289-V304 HydrophobicContact CD2-CB 4.46Å; L289-V304 HydrophobicContact CD2-CG1 3.99Å; L289-V304 HydrophobicContact CD2-CG2 4.05Å |
| 290 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.7 | 173.7 | -58.3 | 178.9 | 0 | 0 | 0 | 110 | F131 E264 L269 L276 V288 L294 S302 A303 L305 | F131-L290 HydrophobicContact CD1-CD1 4.4Å; F131-L290 HydrophobicContact CD2-CD1 3.91Å; F131-L290 HydrophobicContact CE1-CD1 3.99Å; F131-L290 HydrophobicContact CE2-CD1 3.5Å; F131-L290 VanDerWaalsContact CE2-CD1 3.5Å; F131-L290 HydrophobicContact CG-CD1 4.37Å; F131-L290 HydrophobicContact CZ-CD1 3.55Å; E264-L290 HydrophobicContact CB-CD2 3.94Å; L269-L290 HydrophobicContact CD2-CD1 4.3Å; L269-L290 HydrophobicContact CD2-CD2 4.38Å; L269-L290 HydrophobicContact CG-CD2 4.43Å; L276-L290 HydrophobicContact CD2-CD2 3.73Å; V288-L290 HydrophobicContact CG1-CD2 3.9Å; V288-L290 HydrophobicContact CG1-CG 4.07Å; L290-L294 HydrophobicContact CB-CD2 4.24Å; L290-S302 CarbonylContact O-C 3.26Å; L290-S302 WeakPolarHBondContact O-CA 3.43Å; L290-S302 WeakPolarHBondContact O-CB 3.44Å; L290-A303 HydrophobicContact CB-CB 4.44Å; L290-A303 PolarHBondContact N-O 3.34Å; L290-A303 PolarHBondContact O-N 2.91Å; L290-L305 HydrophobicContact CB-CD1 4.49Å; L290-L305 HydrophobicContact CD1-CD1 3.6Å; L290-L305 HydrophobicContact CG-CD1 3.76Å |
| 291 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -169.8 | -152.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | A293 L294 V301 | G291-A293 PolarHBondContact O-N 3Å; G291-L294 WeakPolarHBondContact O-CB 3.14Å; G291-L294 PolarHBondContact O-N 2.99Å; G291-V301 WeakPolarHBondContact CA-O 3.43Å | ||
| 292 | K | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 28 Ų | 28 | 24% | 0.243 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | 48.9 | -101.7 | 171.4 | -71.3 | -176.4 | 179 | 176.2 | 0 | 112.4 | Y85 A87 I265 Q266 L294 S295 | Y85-K292 VanDerWaalsContact O-CD 3.3Å; Y85-K292 WeakPolarHBondContact O-CD 3.38Å; Y85-K292 PolarHBondContact O-NZ 2.91Å; Y85-K292 VanDerWaalsContact O-NZ 3.08Å; A87-K292 HydrophobicContact CB-CB 3.98Å; A87-K292 HydrophobicContact CB-CG 4.36Å; I265-K292 HydrophobicContact CG2-CB 4.32Å; I265-K292 HydrophobicContact CG2-CD 3.78Å; I265-K292 HydrophobicContact CG2-CG 3.64Å; I265-K292 WeakPolarHBondContact O-CB 3.29Å; I265-K292 WeakPolarHBondContact O-CD 3.08Å; Q266-K292 HydrophobicContact CB-CD 4.4Å; K292-L294 PolarHBondContact O-N 3.1Å; K292-S295 PolarHBondContact O-N 3.23Å |
| 293 | A | 98.2 | Very high | 98.3 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -63.3 | -7.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | S86 A87 N89 Q90 L269 G291 S295 G296 | S86-A293 WeakPolarHBondContact O-CB 3.31Å; A87-A293 WeakPolarHBondContact O-CA 3.45Å; N89-A293 HydrophobicContact CB-CB 3.73Å; N89-A293 VanDerWaalsContact CG-CB 3.48Å; N89-A293 WeakPolarHBondContact ND2-CB 3.16Å; Q90-A293 PolarHBondContact NE2-O 3.11Å; L269-A293 HydrophobicContact CB-CB 4.18Å; L269-A293 VanDerWaalsContact CD1-C 3.41Å; L269-A293 HydrophobicContact CD1-CB 3.84Å; G291-A293 PolarHBondContact O-N 3Å; A293-S295 PolarHBondContact O-N 3.29Å; A293-S295 VanDerWaalsContact O-N 3.15Å; A293-G296 PolarHBondContact O-N 3.35Å |
| 294 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -57.3 | -29 | 177 | -176.7 | 58 | 0 | 0 | 0 | 112.1 | F123 L269 L290 G291 K292 V301 A303 A333 A336 L337 | F123-L294 HydrophobicContact CE2-CD1 4.47Å; F123-L294 HydrophobicContact CZ-CD1 4.41Å; F123-L294 HydrophobicContact CZ-CD2 4.38Å; L269-L294 VanDerWaalsContact CD1-CA 3.44Å; L269-L294 HydrophobicContact CD1-CB 3.89Å; L290-L294 HydrophobicContact CB-CD2 4.24Å; G291-L294 WeakPolarHBondContact O-CB 3.14Å; G291-L294 PolarHBondContact O-N 2.99Å; K292-L294 PolarHBondContact O-N 3.1Å; L294-V301 HydrophobicContact CD2-CG1 3.91Å; L294-V301 HydrophobicContact CG-CG1 4.31Å; L294-A303 HydrophobicContact CD2-CB 3.83Å; L294-A333 HydrophobicContact CD1-CB 4.48Å; L294-A333 HydrophobicContact CG-CB 4.26Å; L294-A333 WeakPolarHBondContact O-CA 3.26Å; L294-A333 WeakPolarHBondContact O-CB 3.08Å; L294-A336 WeakPolarHBondContact O-CB 3.47Å; L294-L337 HydrophobicContact CD1-CD1 4.09Å; L294-L337 HydrophobicContact CD1-CD2 3.93Å; L294-L337 HydrophobicContact CD1-CG 4.09Å |
| 295 | S | 98.3 | Very high | 98.4 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -107.9 | 6.1 | 175.4 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | K292 A293 G297 V298 L299 V332 | K292-S295 PolarHBondContact O-N 3.23Å; A293-S295 PolarHBondContact O-N 3.29Å; A293-S295 VanDerWaalsContact O-N 3.15Å; S295-G297 PolarHBondContact O-N 3.16Å; S295-G297 PolarHBondContact OG-N 2.82Å; S295-V298 PolarHBondContact O-N 2.93Å; S295-L299 WeakPolarHBondContact CB-O 3.5Å; S295-L299 PolarHBondContact OG-N 2.69Å; S295-L299 PolarHBondContact OG-O 3.1Å; S295-V332 WeakPolarHBondContact O-CG1 3.49Å |
| 296 | G | 96.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 25.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A87 A293 V298 | A87-G296 CarbonylContact O-C 3.41Å; A293-G296 PolarHBondContact O-N 3.35Å; G296-V298 VanDerWaalsContact C-N 3.28Å; G296-V298 PolarHBondContact O-N 2.81Å |
| 297 | G | 96.2 | Very high | 98.4 | Very high | 42 Ų | 42 | 16 Ų | 16 | 43% | 0.433 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 11.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | A87 S295 | A87-G297 WeakPolarHBondContact O-CA 3.38Å; A87-G297 PolarHBondContact O-N 2.76Å; S295-G297 PolarHBondContact O-N 3.16Å; S295-G297 PolarHBondContact OG-N 2.82Å |
| 298 | V | 97.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 18.7 Ų | 18.7 | 22% | 0.224 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -86.6 | -39 | -176.7 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | I97 I98 L101 S295 G296 V332 | I97-V298 HydrophobicContact CG2-CB 4.36Å; I97-V298 HydrophobicContact CG2-CG2 3.65Å; I98-V298 HydrophobicContact CD1-CG1 4.19Å; I98-V298 HydrophobicContact CD1-CG2 3.97Å; L101-V298 HydrophobicContact CB-CG1 4.37Å; L101-V298 HydrophobicContact CD1-CG1 4.02Å; L101-V298 HydrophobicContact CD2-CG1 3.75Å; L101-V298 HydrophobicContact CG-CG1 4.27Å; S295-V298 PolarHBondContact O-N 2.93Å; G296-V298 VanDerWaalsContact C-N 3.28Å; G296-V298 PolarHBondContact O-N 2.81Å; V298-V332 HydrophobicContact CB-CG1 3.99Å; V298-V332 HydrophobicContact CG1-CG1 4.3Å |
| 299 | L | 97.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 26% | 0.257 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -139.2 | 151.6 | -179.9 | -68.3 | 174.6 | 0 | 0 | 0 | 111.3 | L101 S295 V301 L328 V332 | L101-L299 HydrophobicContact CD1-CD1 3.74Å; L101-L299 HydrophobicContact CD1-CD2 4.35Å; L101-L299 HydrophobicContact CD1-CG 4.09Å; S295-L299 WeakPolarHBondContact CB-O 3.5Å; S295-L299 PolarHBondContact OG-N 2.69Å; S295-L299 PolarHBondContact OG-O 3.1Å; L299-V301 HydrophobicContact CB-CG2 4.22Å; L299-V301 PolarHBondContact O-N 2.9Å; L299-V301 VanDerWaalsContact O-N 3.1Å; L299-L328 HydrophobicContact CD1-CD2 4.02Å; L299-L328 HydrophobicContact CD1-CG 3.81Å; L299-V332 HydrophobicContact CD1-CB 4.35Å; L299-V332 HydrophobicContact CD1-CG2 3.99Å |
| 300 | P | 98.2 | Very high | 98.3 | Very high | 98 Ų | 98 | 22.7 Ų | 22.7 | 64% | 0.636 | 14% | 0.143 | S | C | * | . | trans | -63.2 | 111.7 | 166.5 | -18.1 | 31.6 | 0 | 0 | 0 | 110.1 | N140 | N140-P300 CarbonylContact O-C 3.59Å; N140-P300 WeakPolarHBondContact O-CA 3.5Å; N140-P300 WeakPolarHBondContact O-CB 3.48Å | ||
| 301 | V | 98.3 | Very high | 98.3 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | trans | -140.8 | 136.8 | 172.5 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | N140 G291 L294 L299 A329 A333 | N140-V301 CarbonylContact O-C 2.99Å; N140-V301 WeakPolarHBondContact O-CA 3.42Å; N140-V301 PolarHBondContact O-N 2.94Å; G291-V301 WeakPolarHBondContact CA-O 3.43Å; L294-V301 HydrophobicContact CD2-CG1 3.91Å; L294-V301 HydrophobicContact CG-CG1 4.31Å; L299-V301 HydrophobicContact CB-CG2 4.22Å; L299-V301 PolarHBondContact O-N 2.9Å; L299-V301 VanDerWaalsContact O-N 3.1Å; V301-A329 HydrophobicContact CG2-CB 3.58Å; V301-A333 HydrophobicContact CG1-CB 4.34Å | ||
| 302 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 164.7 | 168.6 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | P138 M139 N140 S141 L290 | P138-S302 CarbonylContact C-O 3.57Å; P138-S302 WeakPolarHBondContact CA-O 3.49Å; M139-S302 VanDerWaalsContact C-OG 3.23Å; M139-S302 VanDerWaalsContact CB-OG 3.27Å; M139-S302 WeakPolarHBondContact CB-OG 3.42Å; M139-S302 PolarHBondContact N-O 3.42Å; M139-S302 PolarHBondContact O-N 3.49Å; M139-S302 VanDerWaalsContact O-O 3.11Å; N140-S302 PolarHBondContact N-OG 3.41Å; S141-S302 PolarHBondContact N-OG 3.33Å; S141-S302 VanDerWaalsContact O-CB 3.23Å; S141-S302 WeakPolarHBondContact O-CB 3.43Å; S141-S302 PolarHBondContact O-OG 2.92Å; L290-S302 CarbonylContact O-C 3.26Å; L290-S302 WeakPolarHBondContact O-CA 3.43Å; L290-S302 WeakPolarHBondContact O-CB 3.44Å |
| 303 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 141.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V136 L290 L294 L305 | V136-A303 HydrophobicContact CG1-CB 3.94Å; L290-A303 HydrophobicContact CB-CB 4.44Å; L290-A303 PolarHBondContact N-O 3.34Å; L290-A303 PolarHBondContact O-N 2.91Å; L294-A303 HydrophobicContact CD2-CB 3.83Å; A303-L305 HydrophobicContact CB-CD1 4.25Å |
| 304 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.7 | 169.4 | -174.9 | 0 | 0 | 0 | 0 | 108 | V136 L137 A145 T148 L152 I287 L289 M311 | V136-V304 CarbonylContact C-O 3.58Å; V136-V304 WeakPolarHBondContact CA-O 3.34Å; L137-V304 HydrophobicContact CB-CB 4.41Å; L137-V304 PolarHBondContact N-O 3.44Å; L137-V304 PolarHBondContact O-N 3.07Å; A145-V304 HydrophobicContact CB-CG2 3.77Å; A145-V304 WeakPolarHBondContact O-CG2 3.27Å; T148-V304 HydrophobicContact CG2-CB 4.34Å; T148-V304 HydrophobicContact CG2-CG2 3.83Å; L152-V304 HydrophobicContact CD1-CG1 3.82Å; I287-V304 HydrophobicContact CG2-CG1 3.44Å; I287-V304 VanDerWaalsContact CG2-CG1 3.44Å; L289-V304 HydrophobicContact CD2-CB 4.46Å; L289-V304 HydrophobicContact CD2-CG1 3.99Å; L289-V304 HydrophobicContact CD2-CG2 4.05Å; V304-M311 WeakPolarHBondContact O-CE 3.46Å |
| 305 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.9 | 179.7 | -58.4 | 92.6 | 0 | 0 | 0 | 109.1 | F131 Y133 K135 V136 I287 V288 L290 A303 | F131-L305 HydrophobicContact CB-CD2 3.61Å; F131-L305 HydrophobicContact CD2-CD2 3.64Å; F131-L305 HydrophobicContact CG-CD2 3.91Å; Y133-L305 HydrophobicContact CD1-CB 4.4Å; Y133-L305 HydrophobicContact CD2-CB 3.66Å; Y133-L305 HydrophobicContact CD2-CD2 4.02Å; Y133-L305 HydrophobicContact CD2-CG 4.49Å; Y133-L305 HydrophobicContact CE2-CB 4.2Å; Y133-L305 HydrophobicContact CG-CB 3.78Å; K135-L305 WeakPolarHBondContact O-CA 3.41Å; V136-L305 HydrophobicContact CG1-CG 4.48Å; V136-L305 HydrophobicContact CG2-CD2 3.92Å; V136-L305 HydrophobicContact CG2-CG 4.06Å; I287-L305 CarbonylContact C-O 3.41Å; I287-L305 VanDerWaalsContact CA-O 3.27Å; I287-L305 WeakPolarHBondContact CA-O 3.35Å; V288-L305 HydrophobicContact CB-CB 4.48Å; V288-L305 HydrophobicContact CB-CD1 4.5Å; V288-L305 HydrophobicContact CG1-CD1 4.32Å; V288-L305 PolarHBondContact N-O 3.21Å; V288-L305 PolarHBondContact O-N 3.49Å; L290-L305 HydrophobicContact CB-CD1 4.49Å; L290-L305 HydrophobicContact CD1-CD1 3.6Å; L290-L305 HydrophobicContact CG-CD1 3.76Å; A303-L305 HydrophobicContact CB-CD1 4.25Å |
| 306 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 162.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K135 I287 V310 M311 | K135-A306 PolarHBondContact N-O 3.22Å; K135-A306 VanDerWaalsContact N-O 3.14Å; K135-A306 PolarHBondContact O-N 3.35Å; I287-A306 HydrophobicContact CG1-CB 4.11Å; A306-V310 HydrophobicContact CB-CB 4.17Å; A306-V310 HydrophobicContact CB-CG1 4.21Å; A306-M311 HydrophobicContact CB-CB 4.43Å; A306-M311 HydrophobicContact CB-CE 3.99Å |
| 307 | D | 98.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -77.9 | 165.2 | 174.6 | -64.9 | -27.9 | 0 | 0 | 0 | 112.2 | D134 R284 S309 V310 M311 | D134-D307 PolarHBondContact N-OD1 3.23Å; D134-D307 WeakPolarHBondContact OD2-CA 3.34Å; D134-D307 WeakPolarHBondContact OD2-CB 3.38Å; R284-D307 IonicContact CZ-OD1 3.05Å; R284-D307 IonicContact CZ-OD2 2.73Å; R284-D307 VanDerWaalsContact CZ-OD2 3.29Å; R284-D307 IonicContact NH1-OD1 3.92Å; R284-D307 IonicContact NH1-OD2 2.65Å; R284-D307 PolarHBondContact NH1-OD2 3.23Å; R284-D307 IonicContact NH2-OD1 2.91Å; R284-D307 PolarHBondContact NH2-OD1 3.18Å; R284-D307 IonicContact NH2-OD2 2.7Å; R284-D307 PolarHBondContact NH2-OD2 3.09Å; D307-S309 PolarHBondContact O-N 3.36Å; D307-V310 PolarHBondContact O-N 2.96Å; D307-M311 PolarHBondContact O-N 2.75Å | ||
| 308 | D | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.9 | -38.7 | -174.5 | -83.9 | 3 | 0 | 0 | 0 | 113 | D134 K135 V310 L312 | D134-D308 VanDerWaalsContact CB-OD1 3.29Å; D134-D308 WeakPolarHBondContact CB-OD1 3.35Å; D134-D308 PolarHBondContact OD2-N 3.1Å; K135-D308 WeakPolarHBondContact CE-OD1 3.37Å; K135-D308 WeakPolarHBondContact CG-OD1 3.5Å; K135-D308 VanDerWaalsContact NZ-CG 3.33Å; K135-D308 IonicContact NZ-OD1 2.7Å; K135-D308 PolarHBondContact NZ-OD1 3.03Å; K135-D308 IonicContact NZ-OD2 2.57Å; K135-D308 PolarHBondContact NZ-OD2 3.03Å; D308-V310 PolarHBondContact O-N 3.06Å; D308-V310 VanDerWaalsContact O-N 3.09Å; D308-L312 HydrophobicContact CB-CD1 3.85Å; D308-L312 HydrophobicContact CB-CG 4.28Å; D308-L312 VanDerWaalsContact O-CB 3.28Å; D308-L312 WeakPolarHBondContact O-CB 3.24Å; D308-L312 PolarHBondContact O-N 3.11Å |
| 309 | S | 98 | Very high | 98 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 56% | 0.559 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.8 | -24.7 | 178.9 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | D307 T313 | D307-S309 PolarHBondContact O-N 3.36Å; S309-T313 WeakPolarHBondContact O-CG2 3.21Å |
| 310 | V | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -104.4 | -52.2 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | L152 W156 L259 I287 A306 D307 D308 L312 T313 | L152-V310 HydrophobicContact CB-CG1 4.22Å; W156-V310 HydrophobicContact CG-CG2 4.49Å; L259-V310 HydrophobicContact CD1-CG1 4.15Å; L259-V310 HydrophobicContact CD1-CG2 4.19Å; L259-V310 HydrophobicContact CD2-CG2 3.75Å; I287-V310 HydrophobicContact CD1-CG1 3.79Å; I287-V310 HydrophobicContact CG1-CG1 4.08Å; A306-V310 HydrophobicContact CB-CB 4.17Å; A306-V310 HydrophobicContact CB-CG1 4.21Å; D307-V310 PolarHBondContact O-N 2.96Å; D308-V310 PolarHBondContact O-N 3.06Å; D308-V310 VanDerWaalsContact O-N 3.09Å; V310-L312 PolarHBondContact O-N 3.01Å; V310-T313 WeakPolarHBondContact O-CB 3.31Å; V310-T313 WeakPolarHBondContact O-CG2 3.14Å; V310-T313 PolarHBondContact O-N 3.36Å; V310-T313 PolarHBondContact O-OG1 3.23Å |
| 311 | M | 98.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | -172.3 | -168.6 | 68.5 | 76.1 | 0 | 0 | 112.4 | K135 L137 L152 V304 A306 D307 T313 I314 | K135-M311 HydrophobicContact CB-CB 3.82Å; K135-M311 HydrophobicContact CB-CE 4.1Å; K135-M311 HydrophobicContact CB-CG 3.56Å; K135-M311 HydrophobicContact CD-CG 4.44Å; K135-M311 HydrophobicContact CG-CB 3.96Å; K135-M311 HydrophobicContact CG-CG 3.96Å; L137-M311 HydrophobicContact CB-CE 3.93Å; L137-M311 HydrophobicContact CB-SD 3.86Å; L137-M311 HydrophobicContact CD2-SD 4.26Å; L152-M311 HydrophobicContact CD1-CE 4.42Å; L152-M311 HydrophobicContact CD1-SD 3.86Å; L152-M311 HydrophobicContact CD2-SD 4.11Å; V304-M311 WeakPolarHBondContact O-CE 3.46Å; A306-M311 HydrophobicContact CB-CB 4.43Å; A306-M311 HydrophobicContact CB-CE 3.99Å; D307-M311 PolarHBondContact O-N 2.75Å; M311-T313 PolarHBondContact O-N 2.93Å; M311-T313 VanDerWaalsContact O-N 3.13Å; M311-I314 PolarHBondContact O-N 3.41Å |
| 312 | L | 98.3 | Very high | 97.8 | Very high | 83 Ų | 83 | 43.8 Ų | 43.8 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 2.3 | -177.4 | -62.3 | -179.2 | 0 | 0 | 0 | 113.2 | K135 D308 V310 I314 Q315 | K135-L312 HydrophobicContact CD-CD2 4.28Å; K135-L312 VanDerWaalsContact CE-CD2 3.44Å; D308-L312 HydrophobicContact CB-CD1 3.85Å; D308-L312 HydrophobicContact CB-CG 4.28Å; D308-L312 VanDerWaalsContact O-CB 3.28Å; D308-L312 WeakPolarHBondContact O-CB 3.24Å; D308-L312 PolarHBondContact O-N 3.11Å; V310-L312 PolarHBondContact O-N 3.01Å; L312-I314 PolarHBondContact O-N 3.4Å; L312-Q315 PolarHBondContact O-NE2 2.82Å |
| 313 | T | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -28.8 | 170.6 | 65 | 0 | 0 | 0 | 0 | 111.7 | K155 W156 K159 V160 S309 V310 M311 | K155-T313 VanDerWaalsContact CD-O 3.22Å; K155-T313 WeakPolarHBondContact CD-O 3.49Å; K155-T313 WeakPolarHBondContact CE-O 3.34Å; W156-T313 HydrophobicContact CB-CG2 4.21Å; K159-T313 PolarHBondContact NZ-O 2.91Å; V160-T313 HydrophobicContact CG2-CG2 4.11Å; S309-T313 WeakPolarHBondContact O-CG2 3.21Å; V310-T313 WeakPolarHBondContact O-CB 3.31Å; V310-T313 WeakPolarHBondContact O-CG2 3.14Å; V310-T313 PolarHBondContact O-N 3.36Å; V310-T313 PolarHBondContact O-OG1 3.23Å; M311-T313 PolarHBondContact O-N 2.93Å; M311-T313 VanDerWaalsContact O-N 3.13Å |
| 314 | I | 96.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -83.7 | 131.3 | 170.1 | -69.1 | 178.5 | 0 | 0 | 0 | 109.7 | L152 K155 M311 L312 E318 H319 | L152-I314 HydrophobicContact CD2-CB 4.36Å; L152-I314 HydrophobicContact CD2-CD1 3.46Å; L152-I314 VanDerWaalsContact CD2-CD1 3.46Å; L152-I314 HydrophobicContact CD2-CG1 3.76Å; L152-I314 HydrophobicContact CG-CD1 3.72Å; L152-I314 HydrophobicContact CG-CG1 4.49Å; K155-I314 HydrophobicContact CD-CG1 3.84Å; M311-I314 PolarHBondContact O-N 3.41Å; L312-I314 PolarHBondContact O-N 3.4Å; I314-E318 HydrophobicContact CG2-CB 4.4Å; I314-H319 HydrophobicContact CD1-CB 4.26Å; I314-H319 HydrophobicContact CG2-CB 3.84Å |
| 315 | Q | 96.8 | Very high | 97.6 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | trans | -115.5 | 164.4 | -176.6 | -61.3 | -65.4 | -48.8 | 0 | 0 | 110.4 | L312 G317 E318 | L312-Q315 PolarHBondContact O-NE2 2.82Å; Q315-G317 PolarHBondContact O-N 2.97Å; Q315-E318 WeakPolarHBondContact CA-OE2 3.22Å; Q315-E318 HydrophobicContact CB-CG 4.37Å; Q315-E318 VanDerWaalsContact CB-OE2 3.31Å; Q315-E318 WeakPolarHBondContact CB-OE2 3.14Å; Q315-E318 PolarHBondContact N-OE2 2.78Å; Q315-E318 WeakPolarHBondContact O-CB 3.34Å; Q315-E318 WeakPolarHBondContact O-CG 3.46Å; Q315-E318 PolarHBondContact O-N 2.96Å | ||
| 316 | P | 96.2 | Very high | 97.6 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 83% | 0.825 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 132.6 | 176.5 | -29.1 | 36.7 | 0 | 0 | 0 | 113 | ||
| 317 | G | 95.4 | Very high | 97.6 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 87% | 0.866 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -10.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q315 | Q315-G317 PolarHBondContact O-N 2.97Š|
| 318 | E | 97.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 51.3 Ų | 51.3 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -95.8 | -14.9 | -173.7 | -55.5 | 179.1 | 126.7 | 0 | 0 | 114.1 | K151 K155 I314 Q315 | K151-E318 PolarHBondContact NZ-O 2.71Å; K155-E318 VanDerWaalsContact CE-OE2 3.29Å; K155-E318 WeakPolarHBondContact CE-OE2 3.46Å; K155-E318 IonicContact NZ-OE1 3.96Å; K155-E318 PolarHBondContact NZ-OE1 3.17Å; K155-E318 IonicContact NZ-OE2 2.71Å; K155-E318 PolarHBondContact NZ-OE2 2.78Å; I314-E318 HydrophobicContact CG2-CB 4.4Å; Q315-E318 WeakPolarHBondContact CA-OE2 3.22Å; Q315-E318 HydrophobicContact CB-CG 4.37Å; Q315-E318 VanDerWaalsContact CB-OE2 3.31Å; Q315-E318 WeakPolarHBondContact CB-OE2 3.14Å; Q315-E318 PolarHBondContact N-OE2 2.78Å; Q315-E318 WeakPolarHBondContact O-CB 3.34Å; Q315-E318 WeakPolarHBondContact O-CG 3.46Å; Q315-E318 PolarHBondContact O-N 2.96Å |
| 319 | H | 97.7 | Very high | 97.6 | Very high | 42 Ų | 42 | 48.7 Ų | 48.7 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -150.8 | 147.9 | 174.2 | -164.9 | 99.6 | 0 | 0 | 0 | 109.1 | M139 T148 K151 I314 | M139-H319 WeakPolarHBondContact CE-NE2 3.47Å; T148-H319 PolarHBondContact OG1-CE1 3Å; T148-H319 PolarHBondContact OG1-NE2 2.79Å; K151-H319 WeakPolarHBondContact CE-ND1 3.4Å; K151-H319 PolarHBondContact NZ-ND1 3.36Å; I314-H319 HydrophobicContact CD1-CB 4.26Å; I314-H319 HydrophobicContact CG2-CB 3.84Å |
| 320 | G | 95.3 | Very high | 97.6 | Very high | 58 Ų | 58 | 45 Ų | 45 | 60% | 0.598 | 27% | 0.273 | S | S | * | . | trans | -167 | 160.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 321 | S | 97.4 | Very high | 97.6 | Very high | 25 Ų | 25 | 47.6 Ų | 47.6 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | -147.4 | 134.8 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 108 | N140 Y323 G324 | N140-S321 PolarHBondContact ND2-OG 3.33Å; S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.11Å; S321-G324 PolarHBondContact OG-N 3.01Å | ||
| 322 | T | 97.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -63 | -42.2 | 179.5 | -57.9 | 0 | 0 | 0 | 0 | 111 | L110 | L110-T322 WeakPolarHBondContact CD1-O 3.18Š|
| 323 | Y | 98 | Very high | 97.7 | Very high | 136 Ų | 136 | 42.8 Ų | 42.8 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -103.1 | -15 | -176 | -69.4 | -84.1 | 0 | 0 | 0 | 113.6 | L110 N140 S321 G325 N326 | L110-Y323 HydrophobicContact CD1-CD1 4.03Å; L110-Y323 HydrophobicContact CD2-CD1 4.11Å; L110-Y323 HydrophobicContact CD2-CE1 3.75Å; N140-Y323 WeakPolarHBondContact OD1-CB 3.41Å; N140-Y323 PolarHBondContact OD1-O 3.36Å; S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.11Å; Y323-G325 PolarHBondContact O-N 3.06Å; Y323-N326 WeakPolarHBondContact O-CB 2.78Å; Y323-N326 PolarHBondContact O-N 2.82Å; Y323-N326 VanDerWaalsContact O-N 3.11Å; Y323-N326 PolarHBondContact O-ND2 3.44Å |
| 324 | G | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 119.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N140 S321 | N140-G324 PolarHBondContact OD1-N 3.03Å; S321-G324 PolarHBondContact OG-N 3.01Å |
| 325 | G | 97.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 24 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y323 | Y323-G325 PolarHBondContact O-N 3.06Š|
| 326 | N | 98.4 | Very high | 97.8 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | trans | -65.8 | 146.2 | 175.7 | 73.1 | 79.9 | 0 | 0 | 0 | 112.2 | T109 L110 Y323 L328 A329 C330 | T109-N326 PolarHBondContact O-OD1 2.89Å; L110-N326 HydrophobicContact CD1-CB 3.69Å; Y323-N326 WeakPolarHBondContact O-CB 2.78Å; Y323-N326 PolarHBondContact O-N 2.82Å; Y323-N326 VanDerWaalsContact O-N 3.11Å; Y323-N326 PolarHBondContact O-ND2 3.44Å; N326-L328 VanDerWaalsContact C-N 3.31Å; N326-L328 PolarHBondContact O-N 2.76Å; N326-L328 PolarHBondContact OD1-N 3.15Å; N326-A329 VanDerWaalsContact ND2-CB 3.35Å; N326-A329 WeakPolarHBondContact ND2-CB 3.41Å; N326-A329 PolarHBondContact O-N 2.88Å; N326-A329 WeakPolarHBondContact OD1-CB 3.23Å; N326-A329 PolarHBondContact OD1-N 2.88Å; N326-C330 PolarHBondContact O-N 3.37Å; N326-C330 PolarHBondContact O-SG 2.84Å; N326-C330 VanDerWaalsContact O-SG 3.35Å | ||
| 327 | P | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.3 | -40.9 | -176.6 | -28.6 | 31.2 | 0 | 0 | 0 | 115.6 | L108 T109 T111 N117 C119 C330 K331 | L108-P327 HydrophobicContact CD2-CG 4.31Å; L108-P327 HydrophobicContact CG-CG 4.32Å; T109-P327 WeakPolarHBondContact O-CD 3.4Å; T111-P327 HydrophobicContact CG2-CG 4.34Å; N117-P327 HydrophobicContact CB-CG 3.94Å; C119-P327 HydrophobicContact CB-CB 4.07Å; P327-C330 PolarHBondContact O-N 2.74Å; P327-K331 PolarHBondContact O-N 2.86Å; P327-K331 VanDerWaalsContact O-N 3.12Å |
| 328 | L | 98.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -50.9 | -179.4 | -177 | 62.4 | 0 | 0 | 0 | 111.4 | L101 Q104 T109 L299 N326 C330 K331 V332 | L101-L328 HydrophobicContact CD1-CD1 3.91Å; L101-L328 HydrophobicContact CD1-CD2 4.12Å; L101-L328 HydrophobicContact CD1-CG 4.11Å; L101-L328 WeakPolarHBondContact O-CD1 3.37Å; Q104-L328 HydrophobicContact CB-CD1 3.86Å; Q104-L328 HydrophobicContact CG-CB 4.48Å; Q104-L328 HydrophobicContact CG-CD1 4.07Å; T109-L328 HydrophobicContact CG2-CD2 4.25Å; T109-L328 PolarHBondContact O-N 3Å; L299-L328 HydrophobicContact CD1-CD2 4.02Å; L299-L328 HydrophobicContact CD1-CG 3.81Å; N326-L328 VanDerWaalsContact C-N 3.31Å; N326-L328 PolarHBondContact O-N 2.76Å; N326-L328 PolarHBondContact OD1-N 3.15Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 3.23Å; L328-K331 PolarHBondContact O-N 3.06Å; L328-V332 WeakPolarHBondContact O-CG2 3.27Å; L328-V332 PolarHBondContact O-N 3.48Å |
| 329 | A | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V301 N326 V332 A333 | V301-A329 HydrophobicContact CG2-CB 3.58Å; N326-A329 VanDerWaalsContact ND2-CB 3.35Å; N326-A329 WeakPolarHBondContact ND2-CB 3.41Å; N326-A329 PolarHBondContact O-N 2.88Å; N326-A329 WeakPolarHBondContact OD1-CB 3.23Å; N326-A329 PolarHBondContact OD1-N 2.88Å; A329-V332 PolarHBondContact O-N 3.13Å; A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.48Å; A329-A333 PolarHBondContact O-N 3.32Å |
| 330 | C | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 178.4 | -71.5 | 0 | 0 | 0 | 0 | 112.3 | C119 F123 N326 P327 L328 A333 M334 | C119-C330 HydrophobicContact CB-CB 4.05Å; F123-C330 HydrophobicContact CB-CB 3.78Å; F123-C330 HydrophobicContact CG-CB 4.2Å; N326-C330 PolarHBondContact O-N 3.37Å; N326-C330 PolarHBondContact O-SG 2.84Å; N326-C330 VanDerWaalsContact O-SG 3.35Å; P327-C330 PolarHBondContact O-N 2.74Å; L328-C330 VanDerWaalsContact C-N 3.31Å; L328-C330 PolarHBondContact O-N 3.23Å; C330-A333 PolarHBondContact O-N 3.5Å; C330-M334 HydrophobicContact CB-CE 4.5Å; C330-M334 WeakPolarHBondContact O-CB 3.36Å; C330-M334 WeakPolarHBondContact O-CG 3.37Å; C330-M334 PolarHBondContact O-N 3.09Å |
| 331 | K | 98.7 | Very high | 98.2 | Very high | 58 Ų | 58 | 26.9 Ų | 26.9 | 25% | 0.252 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.7 | -39.7 | 179.3 | -70.1 | -77.5 | -180 | -170.3 | 0 | 112.9 | Q104 C119 E122 P327 L328 M334 A335 | Q104-K331 HydrophobicContact CB-CB 3.96Å; Q104-K331 HydrophobicContact CB-CG 4.15Å; Q104-K331 HydrophobicContact CG-CB 3.97Å; Q104-K331 HydrophobicContact CG-CG 3.8Å; C119-K331 HydrophobicContact CB-CG 4.37Å; C119-K331 WeakPolarHBondContact SG-CE 3.45Å; E122-K331 IonicContact OE2-NZ 3.9Å; E122-K331 PolarHBondContact OE2-NZ 2.99Å; P327-K331 PolarHBondContact O-N 2.86Å; P327-K331 VanDerWaalsContact O-N 3.12Å; L328-K331 PolarHBondContact O-N 3.06Å; K331-M334 HydrophobicContact CD-CE 3.71Å; K331-M334 HydrophobicContact CG-CE 4.24Å; K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 2.86Å |
| 332 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I97 L101 S295 V298 L299 L328 A329 A335 A336 | I97-V332 HydrophobicContact CG2-CG1 3.84Å; L101-V332 HydrophobicContact CB-CG2 3.83Å; L101-V332 HydrophobicContact CD1-CG2 3.78Å; L101-V332 HydrophobicContact CG-CG2 4.45Å; S295-V332 WeakPolarHBondContact O-CG1 3.49Å; V298-V332 HydrophobicContact CB-CG1 3.99Å; V298-V332 HydrophobicContact CG1-CG1 4.3Å; L299-V332 HydrophobicContact CD1-CB 4.35Å; L299-V332 HydrophobicContact CD1-CG2 3.99Å; L328-V332 WeakPolarHBondContact O-CG2 3.27Å; L328-V332 PolarHBondContact O-N 3.48Å; A329-V332 PolarHBondContact O-N 3.13Å; V332-A335 PolarHBondContact O-N 3.11Å; V332-A336 WeakPolarHBondContact O-CB 3.25Å; V332-A336 PolarHBondContact O-N 2.85Å |
| 333 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.9 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F123 L294 V301 A329 C330 A335 A336 L337 | F123-A333 HydrophobicContact CD2-CB 4.12Å; F123-A333 HydrophobicContact CE2-CB 3.55Å; F123-A333 HydrophobicContact CZ-CB 4.02Å; L294-A333 HydrophobicContact CD1-CB 4.48Å; L294-A333 HydrophobicContact CG-CB 4.26Å; L294-A333 WeakPolarHBondContact O-CA 3.26Å; L294-A333 WeakPolarHBondContact O-CB 3.08Å; V301-A333 HydrophobicContact CG1-CB 4.34Å; A329-A333 VanDerWaalsContact O-CB 3.24Å; A329-A333 WeakPolarHBondContact O-CB 3.48Å; A329-A333 PolarHBondContact O-N 3.32Å; C330-A333 PolarHBondContact O-N 3.5Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 3.07Å; A333-A336 PolarHBondContact O-N 3.16Å; A333-L337 WeakPolarHBondContact O-CG 3.23Å; A333-L337 PolarHBondContact O-N 3.45Å |
| 334 | M | 98.8 | Very high | 98.1 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.2 | -75 | -169.5 | -86.1 | 0 | 0 | 112.1 | E122 F123 M126 C330 K331 L337 K338 | E122-M334 HydrophobicContact CB-CE 4.09Å; E122-M334 HydrophobicContact CB-SD 4.06Å; F123-M334 HydrophobicContact CB-CE 4.15Å; F123-M334 HydrophobicContact CB-CG 4.07Å; F123-M334 HydrophobicContact CB-SD 4.26Å; F123-M334 HydrophobicContact CD2-CG 3.79Å; F123-M334 HydrophobicContact CG-CG 4.43Å; M126-M334 HydrophobicContact CE-CB 4.09Å; M126-M334 HydrophobicContact CE-CG 3.92Å; M126-M334 HydrophobicContact CE-SD 3.81Å; M126-M334 HydrophobicContact SD-CB 3.88Å; M126-M334 HydrophobicContact SD-CG 3.7Å; M126-M334 HydrophobicContact SD-SD 4.35Å; C330-M334 HydrophobicContact CB-CE 4.5Å; C330-M334 WeakPolarHBondContact O-CB 3.36Å; C330-M334 WeakPolarHBondContact O-CG 3.37Å; C330-M334 PolarHBondContact O-N 3.09Å; K331-M334 HydrophobicContact CD-CE 3.71Å; K331-M334 HydrophobicContact CG-CE 4.24Å; M334-L337 PolarHBondContact O-N 2.94Å; M334-K338 VanDerWaalsContact O-CG 3.31Å; M334-K338 WeakPolarHBondContact O-CG 3.38Å; M334-K338 PolarHBondContact O-N 2.82Å |
| 335 | A | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 11% | 0.107 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I97 A100 K331 V332 A333 K338 V339 | I97-A335 HydrophobicContact CG1-CB 4.47Å; A100-A335 HydrophobicContact CB-CB 3.54Å; K331-A335 WeakPolarHBondContact O-CB 3.4Å; K331-A335 PolarHBondContact O-N 2.86Å; V332-A335 PolarHBondContact O-N 3.11Å; A333-A335 VanDerWaalsContact C-N 3.32Å; A333-A335 PolarHBondContact O-N 3.07Å; A335-K338 PolarHBondContact O-N 3.4Å; A335-V339 VanDerWaalsContact O-CG2 3.3Å; A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 3.43Å |
| 336 | A | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q90 I97 L294 V332 A333 L340 | Q90-A336 PolarHBondContact NE2-O 3.04Å; I97-A336 HydrophobicContact CD1-CB 3.81Å; I97-A336 HydrophobicContact CG1-CB 4.39Å; L294-A336 WeakPolarHBondContact O-CB 3.47Å; V332-A336 WeakPolarHBondContact O-CB 3.25Å; V332-A336 PolarHBondContact O-N 2.85Å; A333-A336 PolarHBondContact O-N 3.16Å; A336-L340 PolarHBondContact O-N 2.91Å; A336-L340 VanDerWaalsContact O-N 3.11Å |
| 337 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 173.9 | -69.6 | 177 | 0 | 0 | 0 | 112.1 | F123 M130 F131 L269 L294 A333 M334 L340 E341 | F123-L337 HydrophobicContact CE2-CD1 4.17Å; M130-L337 HydrophobicContact CE-CB 4.09Å; M130-L337 HydrophobicContact SD-CB 4.16Å; M130-L337 HydrophobicContact SD-CD1 4.3Å; M130-L337 HydrophobicContact SD-CD2 3.99Å; M130-L337 HydrophobicContact SD-CG 4.38Å; F131-L337 HydrophobicContact CE2-CD1 4.47Å; F131-L337 HydrophobicContact CE2-CD2 4.23Å; F131-L337 HydrophobicContact CZ-CD2 4.01Å; L269-L337 HydrophobicContact CD2-CD2 3.75Å; L294-L337 HydrophobicContact CD1-CD1 4.09Å; L294-L337 HydrophobicContact CD1-CD2 3.93Å; L294-L337 HydrophobicContact CD1-CG 4.09Å; A333-L337 WeakPolarHBondContact O-CG 3.23Å; A333-L337 PolarHBondContact O-N 3.45Å; M334-L337 PolarHBondContact O-N 2.94Å; L337-L340 WeakPolarHBondContact O-CB 3.42Å; L337-L340 PolarHBondContact O-N 2.92Å; L337-E341 PolarHBondContact O-N 2.76Å |
| 338 | K | 98.4 | Very high | 98 | Very high | 94 Ų | 94 | 35.9 Ų | 35.9 | 41% | 0.409 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 173.9 | -75.6 | 178 | -174.3 | -177 | 0 | 112.2 | M334 A335 L340 E341 E342 | M334-K338 VanDerWaalsContact O-CG 3.31Å; M334-K338 WeakPolarHBondContact O-CG 3.38Å; M334-K338 PolarHBondContact O-N 2.82Å; A335-K338 PolarHBondContact O-N 3.4Å; K338-L340 VanDerWaalsContact C-N 3.29Å; K338-L340 PolarHBondContact O-N 2.91Å; K338-E341 PolarHBondContact O-N 3.17Å; K338-E342 VanDerWaalsContact O-CB 3.27Å; K338-E342 WeakPolarHBondContact O-CB 3.2Å; K338-E342 VanDerWaalsContact O-CG 3.29Å; K338-E342 WeakPolarHBondContact O-CG 3.45Å; K338-E342 PolarHBondContact O-N 2.85Å |
| 339 | V | 97 | Very high | 98 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 111 | Q90 H94 R96 I97 A335 E341 E343 L345 | Q90-V339 HydrophobicContact CB-CG1 3.9Å; Q90-V339 HydrophobicContact CG-CB 4.19Å; Q90-V339 HydrophobicContact CG-CG1 3.61Å; H94-V339 VanDerWaalsContact CE1-CG2 3.49Å; H94-V339 WeakPolarHBondContact CE1-CG2 3.44Å; R96-V339 HydrophobicContact CB-CG2 4.03Å; I97-V339 HydrophobicContact CG1-CG2 4.16Å; A335-V339 VanDerWaalsContact O-CG2 3.3Å; A335-V339 WeakPolarHBondContact O-CG2 3.38Å; A335-V339 PolarHBondContact O-N 3.43Å; V339-E341 PolarHBondContact O-N 3.17Å; V339-E343 HydrophobicContact CG1-CG 4.43Å; V339-E343 VanDerWaalsContact O-CB 3.29Å; V339-E343 WeakPolarHBondContact O-CB 3.29Å; V339-E343 PolarHBondContact O-N 3.04Å; V339-L345 HydrophobicContact CG1-CD1 4.23Å |
| 340 | L | 97.3 | Very high | 98 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.1 | -48.7 | 177.6 | -174.8 | 78.4 | 0 | 0 | 0 | 112.6 | L269 A336 L337 K338 L345 L416 | L269-L340 HydrophobicContact CB-CD2 4.16Å; L269-L340 HydrophobicContact CD2-CD2 4.28Å; L269-L340 WeakPolarHBondContact O-CD1 3.39Å; A336-L340 PolarHBondContact O-N 2.91Å; A336-L340 VanDerWaalsContact O-N 3.11Å; L337-L340 WeakPolarHBondContact O-CB 3.42Å; L337-L340 PolarHBondContact O-N 2.92Å; K338-L340 VanDerWaalsContact C-N 3.29Å; K338-L340 PolarHBondContact O-N 2.91Å; L340-L345 HydrophobicContact CD1-CB 3.92Å; L340-L345 HydrophobicContact CD1-CD1 4.28Å; L340-L345 PolarHBondContact O-N 2.73Å; L340-L345 VanDerWaalsContact O-N 3.1Å; L340-L416 HydrophobicContact CD1-CD1 4.49Å |
| 341 | E | 97.4 | Very high | 98 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -78.2 | -47.5 | -176.8 | -65 | -68.3 | 137.5 | 0 | 0 | 112.6 | M130 R275 L337 K338 V339 E343 H344 | M130-E341 HydrophobicContact CE-CG 3.63Å; M130-E341 HydrophobicContact SD-CG 4.39Å; R275-E341 IonicContact CZ-OE1 3.95Å; R275-E341 IonicContact CZ-OE2 3.33Å; R275-E341 IonicContact NE-OE1 3.65Å; R275-E341 PolarHBondContact NE-OE1 3.36Å; R275-E341 IonicContact NE-OE2 3.21Å; R275-E341 VanDerWaalsContact NH2-CD 3.32Å; R275-E341 IonicContact NH2-OE1 2.81Å; R275-E341 PolarHBondContact NH2-OE1 3.23Å; R275-E341 IonicContact NH2-OE2 2.95Å; R275-E341 PolarHBondContact NH2-OE2 3.34Å; L337-E341 PolarHBondContact O-N 2.76Å; K338-E341 PolarHBondContact O-N 3.17Å; V339-E341 PolarHBondContact O-N 3.17Å; E341-E343 VanDerWaalsContact C-N 3.33Å; E341-E343 PolarHBondContact O-N 2.96Å; E341-H344 PolarHBondContact O-N 2.88Å; E341-H344 PolarHBondContact O-ND1 3.26Å |
| 342 | E | 97.5 | Very high | 98 | Very high | 109 Ų | 109 | 39.3 Ų | 39.3 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -72.1 | -26.4 | -174.2 | -66.6 | 173 | -152.8 | 0 | 0 | 113.1 | R96 K338 | R96-E342 IonicContact CZ-OE2 2.69Å; R96-E342 IonicContact NH1-OE2 3.94Å; R96-E342 PolarHBondContact NH1-OE2 3.29Å; R96-E342 IonicContact NH2-OE1 3.89Å; R96-E342 PolarHBondContact NH2-OE1 3.5Å; R96-E342 IonicContact NH2-OE2 3.51Å; R96-E342 PolarHBondContact NH2-OE2 3.05Å; K338-E342 VanDerWaalsContact O-CB 3.27Å; K338-E342 WeakPolarHBondContact O-CB 3.2Å; K338-E342 VanDerWaalsContact O-CG 3.29Å; K338-E342 WeakPolarHBondContact O-CG 3.45Å; K338-E342 PolarHBondContact O-N 2.85Å |
| 343 | E | 95.9 | Very high | 98 | Very high | 63 Ų | 63 | 39.3 Ų | 39.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 7.7 | 175.4 | -58.5 | -177.8 | -156.1 | 0 | 0 | 112.4 | H94 R96 V339 E341 L345 | H94-E343 IonicContact CE1-OE1 2.74Å; H94-E343 PolarHBondContact CE1-OE1 3.4Å; H94-E343 IonicContact NE2-OE1 3.29Å; H94-E343 PolarHBondContact NE2-OE1 2.66Å; H94-E343 VanDerWaalsContact NE2-OE1 3.14Å; H94-E343 IonicContact NE2-OE2 2.94Å; R96-E343 IonicContact NH1-OE1 3.75Å; V339-E343 HydrophobicContact CG1-CG 4.43Å; V339-E343 VanDerWaalsContact O-CB 3.29Å; V339-E343 WeakPolarHBondContact O-CB 3.29Å; V339-E343 PolarHBondContact O-N 3.04Å; E341-E343 VanDerWaalsContact C-N 3.33Å; E341-E343 PolarHBondContact O-N 2.96Å; E343-L345 HydrophobicContact CB-CD2 3.78Å; E343-L345 HydrophobicContact CB-CG 4.08Å; E343-L345 PolarHBondContact O-N 3.31Å |
| 344 | H | 96.9 | Very high | 98 | Very high | 117 Ų | 117 | 44.4 Ų | 44.4 | 54% | 0.542 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.9 | 176.6 | -56.9 | -64.9 | 0 | 0 | 0 | 113.2 | E341 A346 E347 H348 | E341-H344 PolarHBondContact O-N 2.88Å; E341-H344 PolarHBondContact O-ND1 3.26Å; H344-A346 VanDerWaalsContact C-N 3.25Å; H344-A346 PolarHBondContact O-N 3.28Å; H344-E347 VanDerWaalsContact C-OE2 3.31Å; H344-E347 WeakPolarHBondContact CA-OE2 3.38Å; H344-E347 HydrophobicContact CB-CB 4.47Å; H344-E347 PolarHBondContact O-N 2.93Å; H344-H348 WeakPolarHBondContact O-CB 3.26Å; H344-H348 PolarHBondContact O-N 2.66Å |
| 345 | L | 97.5 | Very high | 98 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -26.4 | -170.1 | -62.6 | -170.2 | 0 | 0 | 0 | 112.6 | Q90 V339 L340 E343 A349 L416 V417 | Q90-L345 HydrophobicContact CG-CD1 4.07Å; V339-L345 HydrophobicContact CG1-CD1 4.23Å; L340-L345 HydrophobicContact CD1-CB 3.92Å; L340-L345 HydrophobicContact CD1-CD1 4.28Å; L340-L345 PolarHBondContact O-N 2.73Å; L340-L345 VanDerWaalsContact O-N 3.1Å; E343-L345 HydrophobicContact CB-CD2 3.78Å; E343-L345 HydrophobicContact CB-CG 4.08Å; E343-L345 PolarHBondContact O-N 3.31Å; L345-A349 WeakPolarHBondContact O-CB 3.38Å; L345-A349 PolarHBondContact O-N 3.24Å; L345-L416 HydrophobicContact CB-CB 4.08Å; L345-L416 HydrophobicContact CB-CD1 4.05Å; L345-L416 HydrophobicContact CD1-CB 4.41Å; L345-L416 HydrophobicContact CD2-CB 4.48Å; L345-V417 HydrophobicContact CD1-CG1 4.38Å; L345-V417 HydrophobicContact CD2-CG1 3.85Å |
| 346 | A | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 45 Ų | 45 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.8 | -50.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G273 H344 H348 A349 Q350 | G273-A346 CarbonylContact C-O 3.56Å; G273-A346 VanDerWaalsContact CA-O 3.24Å; G273-A346 WeakPolarHBondContact CA-O 3.27Å; H344-A346 VanDerWaalsContact C-N 3.25Å; H344-A346 PolarHBondContact O-N 3.28Å; A346-H348 VanDerWaalsContact C-N 3.27Å; A346-H348 PolarHBondContact O-N 2.99Å; A346-A349 PolarHBondContact O-N 2.93Å; A346-Q350 PolarHBondContact O-N 2.93Å |
| 347 | E | 98.3 | Very high | 97.9 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 54% | 0.537 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 177.1 | -65 | 77.1 | -172.6 | 0 | 0 | 111 | H344 Q350 K351 | H344-E347 VanDerWaalsContact C-OE2 3.31Å; H344-E347 WeakPolarHBondContact CA-OE2 3.38Å; H344-E347 HydrophobicContact CB-CB 4.47Å; H344-E347 PolarHBondContact O-N 2.93Å; E347-Q350 WeakPolarHBondContact O-CB 3.38Å; E347-Q350 PolarHBondContact O-N 3.4Å; E347-K351 PolarHBondContact O-N 3.32Å |
| 348 | H | 97.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 28% | 0.278 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 177 | -165.5 | 90.2 | 0 | 0 | 0 | 111.9 | H344 A346 Q350 K351 L352 L416 I418 | H344-H348 WeakPolarHBondContact O-CB 3.26Å; H344-H348 PolarHBondContact O-N 2.66Å; A346-H348 VanDerWaalsContact C-N 3.27Å; A346-H348 PolarHBondContact O-N 2.99Å; H348-Q350 VanDerWaalsContact C-N 3.32Å; H348-Q350 PolarHBondContact O-N 3.39Å; H348-K351 PolarHBondContact O-N 3.45Å; H348-L352 WeakPolarHBondContact NE2-CD1 3.07Å; H348-L352 WeakPolarHBondContact O-CB 3.46Å; H348-L352 PolarHBondContact O-N 3.3Å; H348-L416 PolarHBondContact CD2-O 3.44Å; H348-I418 PolarHBondContact NE2-O 2.91Å |
| 349 | A | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G270 L345 A346 G353 G375 L376 L416 | G270-A349 VanDerWaalsContact O-CB 3.31Å; G270-A349 WeakPolarHBondContact O-CB 3.28Å; L345-A349 WeakPolarHBondContact O-CB 3.38Å; L345-A349 PolarHBondContact O-N 3.24Å; A346-A349 PolarHBondContact O-N 2.93Å; A349-G353 WeakPolarHBondContact O-CA 3.27Å; A349-G353 PolarHBondContact O-N 3.23Å; A349-G375 CarbonylContact O-C 3.41Å; A349-G375 VanDerWaalsContact O-CA 3.29Å; A349-G375 WeakPolarHBondContact O-CA 3.42Å; A349-L376 HydrophobicContact CB-CB 4.41Å; A349-L376 HydrophobicContact CB-CD1 4.17Å; A349-L376 HydrophobicContact CB-CG 4.22Å; A349-L416 HydrophobicContact CB-CD1 4.36Å; A349-L416 HydrophobicContact CB-CD2 3.91Å |
| 350 | Q | 98.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 49 Ų | 49 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -57 | 173.7 | 179.7 | 62.6 | 27.9 | 0 | 0 | 110.4 | A346 E347 H348 L352 G353 E354 | A346-Q350 PolarHBondContact O-N 2.93Å; E347-Q350 WeakPolarHBondContact O-CB 3.38Å; E347-Q350 PolarHBondContact O-N 3.4Å; H348-Q350 VanDerWaalsContact C-N 3.32Å; H348-Q350 PolarHBondContact O-N 3.39Å; Q350-L352 PolarHBondContact O-N 3.37Å; Q350-G353 PolarHBondContact O-N 3.32Å; Q350-E354 PolarHBondContact NE2-OE1 2.98Å; Q350-E354 PolarHBondContact O-N 2.91Å; Q350-E354 VanDerWaalsContact O-N 3.13Å |
| 351 | K | 98.5 | Very high | 97.9 | Very high | 108 Ų | 108 | 50.8 Ų | 50.8 | 47% | 0.47 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57 | -53.9 | -177.7 | -177.8 | -166.2 | 169.3 | -157.1 | 0 | 111.5 | E347 H348 G353 E354 I355 E420 | E347-K351 PolarHBondContact O-N 3.32Å; H348-K351 PolarHBondContact O-N 3.45Å; K351-G353 VanDerWaalsContact C-N 3.32Å; K351-G353 PolarHBondContact O-N 3.4Å; K351-E354 PolarHBondContact O-N 2.74Å; K351-I355 PolarHBondContact O-N 2.72Å; K351-E420 IonicContact NZ-OE2 3.8Å; K351-E420 PolarHBondContact NZ-OE2 2.81Å |
| 352 | L | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -29 | -177.2 | -68.7 | -161.1 | 0 | 0 | 0 | 112.4 | H348 Q350 E354 I355 F356 L376 I418 E420 L423 | H348-L352 WeakPolarHBondContact NE2-CD1 3.07Å; H348-L352 WeakPolarHBondContact O-CB 3.46Å; H348-L352 PolarHBondContact O-N 3.3Å; Q350-L352 PolarHBondContact O-N 3.37Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 3.06Å; L352-I355 HydrophobicContact CD2-CD1 4.01Å; L352-I355 PolarHBondContact O-N 2.81Å; L352-F356 VanDerWaalsContact O-CB 3.26Å; L352-F356 WeakPolarHBondContact O-CB 3.48Å; L352-F356 PolarHBondContact O-N 3.01Å; L352-L376 HydrophobicContact CB-CD1 4.46Å; L352-L376 HydrophobicContact CB-CD2 4.21Å; L352-I418 HydrophobicContact CD1-CG2 3.82Å; L352-I418 WeakPolarHBondContact CD1-O 3.49Å; L352-E420 HydrophobicContact CD2-CB 3.95Å; L352-E420 HydrophobicContact CD2-CG 4.04Å; L352-L423 HydrophobicContact CB-CD2 4.09Å; L352-L423 HydrophobicContact CD2-CD2 4.32Å; L352-L423 WeakPolarHBondContact O-CD2 3.46Å |
| 353 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A349 Q350 K351 F356 R357 G375 | A349-G353 WeakPolarHBondContact O-CA 3.27Å; A349-G353 PolarHBondContact O-N 3.23Å; Q350-G353 PolarHBondContact O-N 3.32Å; K351-G353 VanDerWaalsContact C-N 3.32Å; K351-G353 PolarHBondContact O-N 3.4Å; G353-F356 PolarHBondContact O-N 3.21Å; G353-R357 WeakPolarHBondContact O-CG 3.36Å; G353-R357 PolarHBondContact O-N 3.4Å; G353-R357 PolarHBondContact O-NH1 2.87Å; G353-G375 WeakPolarHBondContact CA-O 3.12Å |
| 354 | E | 98.3 | Very high | 97.9 | Very high | 107 Ų | 107 | 47 Ų | 47 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -48.5 | 175.1 | -71.1 | 171.5 | -175 | 0 | 0 | 111.8 | Q350 K351 L352 F356 R357 H358 | Q350-E354 PolarHBondContact NE2-OE1 2.98Å; Q350-E354 PolarHBondContact O-N 2.91Å; Q350-E354 VanDerWaalsContact O-N 3.13Å; K351-E354 PolarHBondContact O-N 2.74Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 3.06Å; E354-F356 VanDerWaalsContact C-N 3.29Å; E354-F356 PolarHBondContact O-N 2.92Å; E354-R357 PolarHBondContact O-N 2.87Å; E354-H358 WeakPolarHBondContact O-CB 3.48Å; E354-H358 PolarHBondContact O-N 2.71Å |
| 355 | I | 98.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 20% | 0.195 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -46.5 | 174.9 | -62.2 | 173.7 | 0 | 0 | 0 | 109.8 | K351 L352 H358 E359 E420 L423 | K351-I355 PolarHBondContact O-N 2.72Å; L352-I355 HydrophobicContact CD2-CD1 4.01Å; L352-I355 PolarHBondContact O-N 2.81Å; I355-H358 WeakPolarHBondContact O-CB 3.34Å; I355-H358 PolarHBondContact O-N 2.97Å; I355-E359 WeakPolarHBondContact O-CG 3.01Å; I355-E359 PolarHBondContact O-N 2.91Å; I355-E420 HydrophobicContact CD1-CG 4.05Å; I355-L423 HydrophobicContact CB-CD2 4.16Å; I355-L423 HydrophobicContact CG2-CD2 3.99Å |
| 356 | F | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | -177.7 | -170.7 | -144.2 | 0 | 0 | 0 | 112.1 | F81 L352 G353 E354 H358 E359 L360 N378 L412 L423 T427 I430 | F81-F356 HydrophobicContact CD1-CZ 4.17Å; F81-F356 HydrophobicContact CE1-CE1 4.26Å; F81-F356 HydrophobicContact CE1-CE2 4.14Å; F81-F356 AromaticContact CE1-CZ 3.73Å; F81-F356 HydrophobicContact CE1-CZ 3.73Å; L352-F356 VanDerWaalsContact O-CB 3.26Å; L352-F356 WeakPolarHBondContact O-CB 3.48Å; L352-F356 PolarHBondContact O-N 3.01Å; G353-F356 PolarHBondContact O-N 3.21Å; E354-F356 VanDerWaalsContact C-N 3.29Å; E354-F356 PolarHBondContact O-N 2.92Å; F356-H358 VanDerWaalsContact C-N 3.29Å; F356-H358 PolarHBondContact O-N 2.92Å; F356-E359 WeakPolarHBondContact O-CB 3.12Å; F356-E359 PolarHBondContact O-N 3.26Å; F356-E359 VanDerWaalsContact O-N 3.11Å; F356-L360 HydrophobicContact CD1-CD1 4.28Å; F356-L360 HydrophobicContact CD2-CG 4.27Å; F356-L360 HydrophobicContact CE1-CD1 4.09Å; F356-L360 HydrophobicContact CE2-CD1 4.41Å; F356-L360 HydrophobicContact CE2-CD2 3.92Å; F356-L360 HydrophobicContact CE2-CG 4.13Å; F356-L360 HydrophobicContact CZ-CD1 4.15Å; F356-L360 HydrophobicContact CZ-CD2 4.1Å; F356-L360 HydrophobicContact CZ-CG 4.33Å; F356-L360 WeakPolarHBondContact O-CG 3.46Å; F356-L360 PolarHBondContact O-N 3.21Å; F356-N378 HydrophobicContact CD1-CB 4.18Å; F356-N378 HydrophobicContact CE1-CB 4.05Å; F356-L412 HydrophobicContact CE1-CB 3.76Å; F356-L412 HydrophobicContact CE1-CD1 4.46Å; F356-L412 HydrophobicContact CZ-CB 3.83Å; F356-L412 HydrophobicContact CZ-CD1 3.93Å; F356-L412 HydrophobicContact CZ-CG 4.37Å; F356-L423 HydrophobicContact CB-CD1 3.99Å; F356-L423 HydrophobicContact CB-CD2 4.11Å; F356-L423 HydrophobicContact CB-CG 4.48Å; F356-L423 HydrophobicContact CD2-CD1 3.74Å; F356-L423 HydrophobicContact CD2-CG 4.46Å; F356-L423 HydrophobicContact CE2-CD1 4.36Å; F356-L423 HydrophobicContact CG-CD1 3.88Å; F356-T427 HydrophobicContact CD2-CG2 3.5Å; F356-T427 VanDerWaalsContact CD2-CG2 3.5Å; F356-T427 HydrophobicContact CE2-CG2 3.64Å; F356-I430 HydrophobicContact CE2-CD1 3.83Å; F356-I430 HydrophobicContact CZ-CD1 3.96Å |
| 357 | R | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | 176.7 | -74.8 | -171 | -63.1 | -75.3 | -4 | 112.3 | G353 E354 L360 S361 Y371 G373 G375 N378 | G353-R357 WeakPolarHBondContact O-CG 3.36Å; G353-R357 PolarHBondContact O-N 3.4Å; G353-R357 PolarHBondContact O-NH1 2.87Å; E354-R357 PolarHBondContact O-N 2.87Å; R357-L360 PolarHBondContact O-N 3.15Å; R357-S361 PolarHBondContact O-N 3.38Å; R357-Y371 HydrophobicContact CB-CD2 4.31Å; R357-Y371 HydrophobicContact CB-CE2 4.11Å; R357-Y371 HydrophobicContact CG-CD2 4.4Å; R357-G373 WeakPolarHBondContact CD-O 3.13Å; R357-G375 PolarHBondContact NH1-O 3.25Å; R357-N378 WeakPolarHBondContact CD-OD1 3.32Å; R357-N378 WeakPolarHBondContact CG-OD1 3.31Å; R357-N378 PolarHBondContact NH1-OD1 2.88Å |
| 358 | H | 98.2 | Very high | 97.6 | Very high | 110 Ų | 110 | 46.4 Ų | 46.4 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 172.2 | 176.7 | 71.1 | 0 | 0 | 0 | 112 | E354 I355 F356 S361 R362 | E354-H358 WeakPolarHBondContact O-CB 3.48Å; E354-H358 PolarHBondContact O-N 2.71Å; I355-H358 WeakPolarHBondContact O-CB 3.34Å; I355-H358 PolarHBondContact O-N 2.97Å; F356-H358 VanDerWaalsContact C-N 3.29Å; F356-H358 PolarHBondContact O-N 2.92Å; H358-S361 WeakPolarHBondContact O-CB 3.35Å; H358-S361 PolarHBondContact O-N 3.2Å; H358-S361 PolarHBondContact O-OG 3.12Å; H358-R362 PolarHBondContact CD2-NH2 3.05Å; H358-R362 VanDerWaalsContact CD2-NH2 3.26Å; H358-R362 PolarHBondContact NE2-NH2 2.93Å |
| 359 | E | 98 | Very high | 97.6 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 173.3 | -66.9 | -73.2 | 157 | 0 | 0 | 111.9 | I355 F356 S361 R362 H424 T427 H431 | I355-E359 WeakPolarHBondContact O-CG 3.01Å; I355-E359 PolarHBondContact O-N 2.91Å; F356-E359 WeakPolarHBondContact O-CB 3.12Å; F356-E359 PolarHBondContact O-N 3.26Å; F356-E359 VanDerWaalsContact O-N 3.11Å; E359-S361 VanDerWaalsContact C-N 3.27Å; E359-S361 PolarHBondContact O-N 3.1Å; E359-R362 VanDerWaalsContact CD-CZ 3.41Å; E359-R362 PolarHBondContact O-N 3.42Å; E359-R362 IonicContact OE1-CZ 3.48Å; E359-R362 IonicContact OE1-NH1 3.53Å; E359-R362 IonicContact OE1-NH2 2.65Å; E359-R362 PolarHBondContact OE1-NH2 3.03Å; E359-R362 IonicContact OE2-CZ 3Å; E359-R362 IonicContact OE2-NE 4Å; E359-R362 IonicContact OE2-NH1 2.73Å; E359-R362 PolarHBondContact OE2-NH1 2.91Å; E359-R362 IonicContact OE2-NH2 2.95Å; E359-R362 PolarHBondContact OE2-NH2 2.66Å; E359-H424 IonicContact OE1-CE1 3.78Å; E359-H424 IonicContact OE1-ND1 3.64Å; E359-T427 HydrophobicContact CB-CG2 3.55Å; E359-T427 HydrophobicContact CG-CG2 3.81Å; E359-H431 PolarHBondContact O-CE1 3.33Å; E359-H431 PolarHBondContact O-NE2 2.95Å |
| 360 | L | 97.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -32.7 | 176.9 | -64.6 | 179.1 | 0 | 0 | 0 | 112.3 | F356 R357 R362 L363 Y371 N378 I380 L412 I430 | F356-L360 HydrophobicContact CD1-CD1 4.28Å; F356-L360 HydrophobicContact CD2-CG 4.27Å; F356-L360 HydrophobicContact CE1-CD1 4.09Å; F356-L360 HydrophobicContact CE2-CD1 4.41Å; F356-L360 HydrophobicContact CE2-CD2 3.92Å; F356-L360 HydrophobicContact CE2-CG 4.13Å; F356-L360 HydrophobicContact CZ-CD1 4.15Å; F356-L360 HydrophobicContact CZ-CD2 4.1Å; F356-L360 HydrophobicContact CZ-CG 4.33Å; F356-L360 WeakPolarHBondContact O-CG 3.46Å; F356-L360 PolarHBondContact O-N 3.21Å; R357-L360 PolarHBondContact O-N 3.15Å; L360-R362 PolarHBondContact O-N 3.32Å; L360-R362 VanDerWaalsContact O-N 3.14Å; L360-L363 HydrophobicContact CB-CD1 4.35Å; L360-L363 HydrophobicContact CD2-CD1 3.79Å; L360-L363 WeakPolarHBondContact O-CB 3.28Å; L360-L363 VanDerWaalsContact O-CG 3.29Å; L360-L363 WeakPolarHBondContact O-CG 3.5Å; L360-L363 PolarHBondContact O-N 3Å; L360-L363 VanDerWaalsContact O-N 3.08Å; L360-Y371 HydrophobicContact CB-CD2 4.37Å; L360-Y371 HydrophobicContact CB-CG 4.16Å; L360-N378 HydrophobicContact CD1-CB 4.29Å; L360-I380 HydrophobicContact CD1-CG2 4.14Å; L360-I380 HydrophobicContact CD2-CG2 3.99Å; L360-I380 HydrophobicContact CG-CG2 4.46Å; L360-L412 HydrophobicContact CD1-CD1 4.46Å; L360-L412 HydrophobicContact CD2-CD1 4.08Å; L360-I430 HydrophobicContact CD2-CG2 4.31Å |
| 361 | S | 97.2 | Very high | 97.4 | Very high | 40 Ų | 40 | 53.6 Ų | 53.6 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.5 | 178.4 | 81.7 | 0 | 0 | 0 | 0 | 114.4 | R357 H358 E359 Y371 | R357-S361 PolarHBondContact O-N 3.38Å; H358-S361 WeakPolarHBondContact O-CB 3.35Å; H358-S361 PolarHBondContact O-N 3.2Å; H358-S361 PolarHBondContact O-OG 3.12Å; E359-S361 VanDerWaalsContact C-N 3.27Å; E359-S361 PolarHBondContact O-N 3.1Å; S361-Y371 VanDerWaalsContact CA-CE1 3.43Å; S361-Y371 VanDerWaalsContact CB-CZ 3.47Å; S361-Y371 VanDerWaalsContact CB-OH 3.3Å; S361-Y371 WeakPolarHBondContact CB-OH 3.26Å |
| 362 | R | 97 | Very high | 97.4 | Very high | 121 Ų | 121 | 51.3 Ų | 51.3 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -3.9 | 177.9 | -75.4 | -179.8 | -90.8 | 150.6 | -20 | 114 | H358 E359 L360 | H358-R362 PolarHBondContact CD2-NH2 3.05Å; H358-R362 VanDerWaalsContact CD2-NH2 3.26Å; H358-R362 PolarHBondContact NE2-NH2 2.93Å; E359-R362 VanDerWaalsContact CD-CZ 3.41Å; E359-R362 PolarHBondContact O-N 3.42Å; E359-R362 IonicContact OE1-CZ 3.48Å; E359-R362 IonicContact OE1-NH1 3.53Å; E359-R362 IonicContact OE1-NH2 2.65Å; E359-R362 PolarHBondContact OE1-NH2 3.03Å; E359-R362 IonicContact OE2-CZ 3Å; E359-R362 IonicContact OE2-NE 4Å; E359-R362 IonicContact OE2-NH1 2.73Å; E359-R362 PolarHBondContact OE2-NH1 2.91Å; E359-R362 IonicContact OE2-NH2 2.95Å; E359-R362 PolarHBondContact OE2-NH2 2.66Å; L360-R362 PolarHBondContact O-N 3.32Å; L360-R362 VanDerWaalsContact O-N 3.14Å |
| 363 | L | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -64.3 | 148.1 | 178.6 | -66.3 | 171.2 | 0 | 0 | 0 | 110.8 | L360 K365 V368 I380 I430 H431 I434 | L360-L363 HydrophobicContact CB-CD1 4.35Å; L360-L363 HydrophobicContact CD2-CD1 3.79Å; L360-L363 WeakPolarHBondContact O-CB 3.28Å; L360-L363 VanDerWaalsContact O-CG 3.29Å; L360-L363 WeakPolarHBondContact O-CG 3.5Å; L360-L363 PolarHBondContact O-N 3Å; L360-L363 VanDerWaalsContact O-N 3.08Å; L363-K365 PolarHBondContact O-N 3.44Å; L363-K365 VanDerWaalsContact O-N 3.1Å; L363-V368 HydrophobicContact CB-CB 4.37Å; L363-V368 HydrophobicContact CB-CG2 3.95Å; L363-V368 HydrophobicContact CD1-CG2 4.17Å; L363-I380 HydrophobicContact CD1-CD1 4.46Å; L363-I380 HydrophobicContact CD1-CG2 4.09Å; L363-I430 HydrophobicContact CD1-CG2 4.08Å; L363-I430 HydrophobicContact CD2-CG2 4.04Å; L363-H431 HydrophobicContact CD2-CB 4.43Å; L363-I434 HydrophobicContact CB-CG2 4.39Å; L363-I434 HydrophobicContact CD2-CB 4.03Å; L363-I434 HydrophobicContact CD2-CG1 4.17Å; L363-I434 HydrophobicContact CD2-CG2 4.24Å |
| 364 | P | 96.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 54 Ų | 54 | 19% | 0.188 | 26% | 0.256 | C | S | . | . | trans | -53.9 | 116.2 | 179.2 | -25.4 | 30.5 | 0 | 0 | 0 | 112.8 | S366 V367 V368 I434 | P364-S366 PolarHBondContact O-N 2.84Å; P364-S366 VanDerWaalsContact O-N 3.12Å; P364-V367 HydrophobicContact CB-CG2 4.42Å; P364-V367 PolarHBondContact O-N 3.03Å; P364-V368 PolarHBondContact O-N 3.06Å; P364-I434 HydrophobicContact CG-CG2 4.4Å | ||
| 365 | K | 95.7 | Very high | 97.3 | Very high | 162 Ų | 162 | 48.9 Ų | 48.9 | 70% | 0.704 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -14.8 | 177.4 | -65 | -174.6 | 179.9 | -178.8 | 0 | 113.6 | L363 V367 V368 R383 | L363-K365 PolarHBondContact O-N 3.44Å; L363-K365 VanDerWaalsContact O-N 3.1Å; K365-V367 VanDerWaalsContact C-N 3.28Å; K365-V368 WeakPolarHBondContact CA-O 3.44Å; K365-R383 PolarHBondContact O-NE 2.81Å; K365-R383 PolarHBondContact O-NH2 3.18Å |
| 366 | S | 95.6 | Very high | 97.3 | Very high | 64 Ų | 64 | 47 Ų | 47 | 45% | 0.448 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.9 | 170.8 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | P364 F386 S438 | P364-S366 PolarHBondContact O-N 2.84Å; P364-S366 VanDerWaalsContact O-N 3.12Å; S366-F386 WeakPolarHBondContact O-CE2 3.24Å; S366-S438 PolarHBondContact OG-OG 3.01Å |
| 367 | V | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -43.4 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | P364 K365 I382 R383 F386 I434 L437 | P364-V367 HydrophobicContact CB-CG2 4.42Å; P364-V367 PolarHBondContact O-N 3.03Å; K365-V367 VanDerWaalsContact C-N 3.28Å; V367-I382 CarbonylContact O-C 3.54Å; V367-I382 WeakPolarHBondContact O-CA 3.31Å; V367-R383 PolarHBondContact O-N 3.03Å; V367-F386 HydrophobicContact CB-CE2 4.24Å; V367-F386 HydrophobicContact CB-CZ 4.28Å; V367-F386 HydrophobicContact CG1-CD1 4.19Å; V367-F386 HydrophobicContact CG1-CD2 4.12Å; V367-F386 HydrophobicContact CG1-CE1 4.26Å; V367-F386 HydrophobicContact CG1-CE2 4.2Å; V367-F386 HydrophobicContact CG1-CG 4.12Å; V367-F386 HydrophobicContact CG1-CZ 4.27Å; V367-F386 HydrophobicContact CG2-CE1 4.13Å; V367-F386 HydrophobicContact CG2-CE2 4.22Å; V367-F386 HydrophobicContact CG2-CZ 3.78Å; V367-I434 HydrophobicContact CB-CG2 4.04Å; V367-I434 HydrophobicContact CG1-CG2 3.96Å; V367-L437 HydrophobicContact CG1-CB 4.16Å; V367-L437 HydrophobicContact CG1-CD1 4.12Å; V367-L437 HydrophobicContact CG2-CB 4.09Å |
| 368 | V | 97.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.2 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | L363 P364 K365 L370 I380 I434 | L363-V368 HydrophobicContact CB-CB 4.37Å; L363-V368 HydrophobicContact CB-CG2 3.95Å; L363-V368 HydrophobicContact CD1-CG2 4.17Å; P364-V368 PolarHBondContact O-N 3.06Å; K365-V368 WeakPolarHBondContact CA-O 3.44Å; V368-L370 WeakPolarHBondContact CG1-O 3.09Å; V368-I380 HydrophobicContact CG1-CB 4.26Å; V368-I434 HydrophobicContact CG2-CG2 3.77Å |
| 369 | E | 96.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 40 Ų | 40 | 47% | 0.472 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -50.7 | 177.2 | -175 | 176.7 | 152.5 | 0 | 0 | 111 | V381 R383 | E369-V381 PolarHBondContact N-O 3.19Å; E369-R383 HydrophobicContact CB-CG 3.9Å |
| 370 | L | 96.8 | Very high | 97.3 | Very high | 62 Ų | 62 | 39 Ų | 39 | 33% | 0.325 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 163.8 | 178 | 65.9 | 83.8 | 0 | 0 | 0 | 111.1 | V368 R372 V381 | V368-L370 WeakPolarHBondContact CG1-O 3.09Å; L370-R372 HydrophobicContact CD1-CB 4.26Å; L370-R372 HydrophobicContact CD1-CG 3.98Å; L370-V381 HydrophobicContact CD1-CB 4.07Å; L370-V381 HydrophobicContact CD1-CG2 3.54Å; L370-V381 HydrophobicContact CG-CB 4Å; L370-V381 HydrophobicContact CG-CG2 3.98Å; L370-V381 PolarHBondContact N-O 3.31Å; L370-V381 PolarHBondContact O-N 3.32Å |
| 371 | Y | 96.9 | Very high | 97.3 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 151.9 | 165.8 | 64.2 | -84.1 | 0 | 0 | 0 | 108.2 | R357 L360 S361 A379 | R357-Y371 HydrophobicContact CB-CD2 4.31Å; R357-Y371 HydrophobicContact CB-CE2 4.11Å; R357-Y371 HydrophobicContact CG-CD2 4.4Å; L360-Y371 HydrophobicContact CB-CD2 4.37Å; L360-Y371 HydrophobicContact CB-CG 4.16Å; S361-Y371 VanDerWaalsContact CA-CE1 3.43Å; S361-Y371 VanDerWaalsContact CB-CZ 3.47Å; S361-Y371 VanDerWaalsContact CB-OH 3.3Å; S361-Y371 WeakPolarHBondContact CB-OH 3.26Å; Y371-A379 WeakPolarHBondContact CA-O 3.37Å |
| 372 | R | 96.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 161.1 | -179.1 | 58.3 | -174.9 | -179.7 | -139.7 | 2.2 | 111.7 | G237 V238 L370 N378 A379 | G237-R372 VanDerWaalsContact O-CZ 3.24Å; G237-R372 PolarHBondContact O-NE 2.78Å; G237-R372 PolarHBondContact O-NH2 3.37Å; V238-R372 WeakPolarHBondContact O-CD 3.4Å; V238-R372 WeakPolarHBondContact O-CG 3.48Å; V238-R372 PolarHBondContact O-NE 3.32Å; V238-R372 VanDerWaalsContact O-NE 3.16Å; L370-R372 HydrophobicContact CD1-CB 4.26Å; L370-R372 HydrophobicContact CD1-CG 3.98Å; R372-N378 CarbonylContact O-C 3.59Å; R372-N378 WeakPolarHBondContact O-CA 3.43Å; R372-A379 PolarHBondContact N-O 2.69Å; R372-A379 PolarHBondContact O-N 3.17Å |
| 373 | G | 97.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.7 | 171 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | R357 L377 | R357-G373 WeakPolarHBondContact CD-O 3.13Å; G373-L377 WeakPolarHBondContact CA-O 3.46Å |
| 374 | K | 98.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 19% | 0.191 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.3 | 168.4 | -63.1 | -163.8 | -173.9 | -145.3 | 0 | 108.9 | I232 T240 D243 T272 L376 L377 | I232-K374 HydrophobicContact CD1-CB 3.87Å; I232-K374 HydrophobicContact CD1-CD 4.31Å; I232-K374 HydrophobicContact CD1-CG 3.92Å; T240-K374 HydrophobicContact CG2-CD 4.29Å; T240-K374 HydrophobicContact CG2-CG 4.03Å; D243-K374 IonicContact OD1-NZ 2.83Å; D243-K374 PolarHBondContact OD1-NZ 2.89Å; T272-K374 HydrophobicContact CG2-CB 4.46Å; T272-K374 CarbonylContact O-C 3.46Å; K374-L376 PolarHBondContact O-N 2.85Å; K374-L377 PolarHBondContact N-O 2.83Å; K374-L377 PolarHBondContact O-N 3.5Å |
| 375 | G | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | -132.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T272 A349 G353 R357 N378 | T272-G375 VanDerWaalsContact C-CA 3.48Å; T272-G375 WeakPolarHBondContact O-CA 3.45Å; T272-G375 PolarHBondContact O-N 3.36Å; T272-G375 VanDerWaalsContact O-N 3.11Å; A349-G375 CarbonylContact O-C 3.41Å; A349-G375 VanDerWaalsContact O-CA 3.29Å; A349-G375 WeakPolarHBondContact O-CA 3.42Å; G353-G375 WeakPolarHBondContact CA-O 3.12Å; R357-G375 PolarHBondContact NH1-O 3.25Å; G375-N378 PolarHBondContact O-ND2 3.47Å |
| 376 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 24.3 | 175.7 | -72.1 | 172.8 | 0 | 0 | 0 | 112.6 | R271 A349 L352 K374 A413 P414 L416 I418 | R271-L376 PolarHBondContact NH1-O 3.39Å; R271-L376 PolarHBondContact O-N 2.89Å; A349-L376 HydrophobicContact CB-CB 4.41Å; A349-L376 HydrophobicContact CB-CD1 4.17Å; A349-L376 HydrophobicContact CB-CG 4.22Å; L352-L376 HydrophobicContact CB-CD1 4.46Å; L352-L376 HydrophobicContact CB-CD2 4.21Å; K374-L376 PolarHBondContact O-N 2.85Å; L376-A413 VanDerWaalsContact O-CA 3.26Å; L376-A413 WeakPolarHBondContact O-CA 3.26Å; L376-P414 HydrophobicContact CD2-CG 4.16Å; L376-L416 HydrophobicContact CB-CD2 3.88Å; L376-L416 HydrophobicContact CD1-CD2 3.91Å; L376-L416 HydrophobicContact CG-CD2 4.49Å; L376-I418 HydrophobicContact CD1-CG2 3.78Å |
| 377 | L | 98.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 97.9 | 164.8 | -175.7 | 62.1 | 0 | 0 | 0 | 108.8 | I232 V238 T267 R271 T272 G373 K374 A413 | I232-L377 HydrophobicContact CG2-CD2 4.22Å; V238-L377 HydrophobicContact CG1-CD2 4.32Å; V238-L377 HydrophobicContact CG1-CG 3.84Å; V238-L377 HydrophobicContact CG2-CD1 4.2Å; V238-L377 HydrophobicContact CG2-CG 4.29Å; T267-L377 HydrophobicContact CG2-CD2 4.09Å; R271-L377 HydrophobicContact CG-CB 3.79Å; R271-L377 HydrophobicContact CG-CD2 4.42Å; R271-L377 HydrophobicContact CG-CG 4.49Å; T272-L377 HydrophobicContact CG2-CB 4.49Å; T272-L377 HydrophobicContact CG2-CD2 4.43Å; G373-L377 WeakPolarHBondContact CA-O 3.46Å; K374-L377 PolarHBondContact N-O 2.83Å; K374-L377 PolarHBondContact O-N 3.5Å; L377-A413 HydrophobicContact CD1-CB 4.12Å |
| 378 | N | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 158.2 | -175.5 | -57.7 | -85.3 | 0 | 0 | 0 | 111.4 | F356 R357 L360 R372 G375 L412 | F356-N378 HydrophobicContact CD1-CB 4.18Å; F356-N378 HydrophobicContact CE1-CB 4.05Å; R357-N378 WeakPolarHBondContact CD-OD1 3.32Å; R357-N378 WeakPolarHBondContact CG-OD1 3.31Å; R357-N378 PolarHBondContact NH1-OD1 2.88Å; L360-N378 HydrophobicContact CD1-CB 4.29Å; R372-N378 CarbonylContact O-C 3.59Å; R372-N378 WeakPolarHBondContact O-CA 3.43Å; G375-N378 PolarHBondContact O-ND2 3.47Å; N378-L412 PolarHBondContact N-O 3.21Å; N378-L412 VanDerWaalsContact N-O 3.15Å; N378-L412 CarbonylContact O-C 3Å; N378-L412 PolarHBondContact O-N 3.09Å |
| 379 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 153.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V238 Y371 R372 I409 I410 | V238-A379 HydrophobicContact CB-CB 3.81Å; V238-A379 HydrophobicContact CG2-CB 3.8Å; Y371-A379 WeakPolarHBondContact CA-O 3.37Å; R372-A379 PolarHBondContact N-O 2.69Å; R372-A379 PolarHBondContact O-N 3.17Å; A379-I409 HydrophobicContact CB-CG2 3.88Å; A379-I410 WeakPolarHBondContact CA-O 3.38Å; A379-I410 WeakPolarHBondContact CB-O 3.29Å |
| 380 | I | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.4 | 163.6 | 59.3 | 175.9 | 0 | 0 | 0 | 108.8 | L360 L363 V368 I409 I410 L412 I434 | L360-I380 HydrophobicContact CD1-CG2 4.14Å; L360-I380 HydrophobicContact CD2-CG2 3.99Å; L360-I380 HydrophobicContact CG-CG2 4.46Å; L363-I380 HydrophobicContact CD1-CD1 4.46Å; L363-I380 HydrophobicContact CD1-CG2 4.09Å; V368-I380 HydrophobicContact CG1-CB 4.26Å; I380-I409 WeakPolarHBondContact O-CA 3.08Å; I380-I410 HydrophobicContact CD1-CB 4.41Å; I380-I410 HydrophobicContact CD1-CD1 4.09Å; I380-I410 HydrophobicContact CG1-CB 3.84Å; I380-I410 HydrophobicContact CG1-CD1 4.27Å; I380-I410 HydrophobicContact CG1-CG1 4.47Å; I380-I410 PolarHBondContact N-O 2.98Å; I380-I410 PolarHBondContact O-N 3.34Å; I380-L412 HydrophobicContact CG1-CD1 4.34Å; I380-L412 HydrophobicContact CG2-CD1 4.23Å; I380-I434 HydrophobicContact CD1-CD1 3.9Å; I380-I434 HydrophobicContact CD1-CG1 4.39Å |
| 381 | V | 97.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.6 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 106.7 | E369 L370 T408 I409 | E369-V381 PolarHBondContact N-O 3.19Å; L370-V381 HydrophobicContact CD1-CB 4.07Å; L370-V381 HydrophobicContact CD1-CG2 3.54Å; L370-V381 HydrophobicContact CG-CB 4Å; L370-V381 HydrophobicContact CG-CG2 3.98Å; L370-V381 PolarHBondContact N-O 3.31Å; L370-V381 PolarHBondContact O-N 3.32Å; V381-T408 CarbonylContact C-O 3.4Å; V381-T408 WeakPolarHBondContact CA-O 3.06Å; V381-I409 HydrophobicContact CG2-CG1 4.24Å; V381-I409 HydrophobicContact CG2-CG2 4.3Å |
| 382 | I | 96.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 149 | 174.9 | 65.4 | 175.9 | 0 | 0 | 0 | 109.6 | V367 F386 N387 A388 V391 T408 I410 | V367-I382 CarbonylContact O-C 3.54Å; V367-I382 WeakPolarHBondContact O-CA 3.31Å; I382-F386 HydrophobicContact CB-CB 4.41Å; I382-F386 HydrophobicContact CD1-CB 3.68Å; I382-F386 HydrophobicContact CG1-CB 4.25Å; I382-N387 VanDerWaalsContact CD1-C 3.46Å; I382-A388 HydrophobicContact CD1-CB 3.94Å; I382-A388 VanDerWaalsContact CD1-N 3.29Å; I382-V391 HydrophobicContact CD1-CG2 4.1Å; I382-T408 WeakPolarHBondContact CG1-O 3.46Å; I382-T408 PolarHBondContact N-O 2.97Å; I382-T408 WeakPolarHBondContact O-CB 3.49Å; I382-I410 HydrophobicContact CG2-CD1 4.28Å |
| 383 | R | 95.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 34.5 Ų | 34.5 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -65 | 153.8 | 179.5 | -69.4 | -171.4 | -178.1 | -74.9 | -5.1 | 111.2 | K365 V367 E369 G385 F386 | K365-R383 PolarHBondContact O-NE 2.81Å; K365-R383 PolarHBondContact O-NH2 3.18Å; V367-R383 PolarHBondContact O-N 3.03Å; E369-R383 HydrophobicContact CB-CG 3.9Å; R383-G385 PolarHBondContact O-N 3.42Å; R383-F386 HydrophobicContact CB-CD2 4.24Å; R383-F386 PolarHBondContact O-N 3.42Å |
| 384 | Q | 90.7 | Very high | 96.2 | Very high | 155 Ų | 155 | 37.7 Ų | 37.7 | 72% | 0.724 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 137.7 | 167.8 | -63.8 | -61.8 | -24 | 0 | 0 | 110.6 | ||
| 385 | G | 91 | Very high | 96.2 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 85% | 0.845 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -14.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R383 | R383-G385 PolarHBondContact O-N 3.42Š|
| 386 | F | 93.7 | Very high | 96.1 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 26% | 0.259 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -104.3 | 154.5 | 165 | -58.6 | -81.6 | 0 | 0 | 0 | 110.1 | S366 V367 I382 R383 L437 | S366-F386 WeakPolarHBondContact O-CE2 3.24Å; V367-F386 HydrophobicContact CB-CE2 4.24Å; V367-F386 HydrophobicContact CB-CZ 4.28Å; V367-F386 HydrophobicContact CG1-CD1 4.19Å; V367-F386 HydrophobicContact CG1-CD2 4.12Å; V367-F386 HydrophobicContact CG1-CE1 4.26Å; V367-F386 HydrophobicContact CG1-CE2 4.2Å; V367-F386 HydrophobicContact CG1-CG 4.12Å; V367-F386 HydrophobicContact CG1-CZ 4.27Å; V367-F386 HydrophobicContact CG2-CE1 4.13Å; V367-F386 HydrophobicContact CG2-CE2 4.22Å; V367-F386 HydrophobicContact CG2-CZ 3.78Å; I382-F386 HydrophobicContact CB-CB 4.41Å; I382-F386 HydrophobicContact CD1-CB 3.68Å; I382-F386 HydrophobicContact CG1-CB 4.25Å; R383-F386 HydrophobicContact CB-CD2 4.24Å; R383-F386 PolarHBondContact O-N 3.42Å; F386-L437 HydrophobicContact CD1-CB 4.1Å; F386-L437 HydrophobicContact CE1-CB 3.89Å; F386-L437 WeakPolarHBondContact CE1-O 3.3Å |
| 387 | N | 93.2 | Very high | 96 | Very high | 79 Ų | 79 | 39.2 Ų | 39.2 | 42% | 0.422 | 20% | 0.204 | S | C | . | . | trans | -115 | 122.4 | -179.3 | -175.4 | -32.3 | 0 | 0 | 0 | 110.7 | I382 W389 D390 V391 | I382-N387 VanDerWaalsContact CD1-C 3.46Å; N387-W389 VanDerWaalsContact C-N 3.26Å; N387-W389 PolarHBondContact O-N 2.95Å; N387-W389 WeakPolarHBondContact OD1-CA 3.13Å; N387-W389 WeakPolarHBondContact OD1-CB 3.34Å; N387-W389 PolarHBondContact OD1-N 3.46Å; N387-D390 HydrophobicContact CB-CB 4.36Å; N387-D390 PolarHBondContact O-N 3.38Å; N387-V391 WeakPolarHBondContact O-CG2 3.47Å; N387-V391 PolarHBondContact O-N 3.31Å | ||
| 388 | A | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.7 | -28.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I382 V391 C392 P404 D407 I410 | I382-A388 HydrophobicContact CD1-CB 3.94Å; I382-A388 VanDerWaalsContact CD1-N 3.29Å; A388-V391 PolarHBondContact O-N 3.49Å; A388-C392 PolarHBondContact O-N 2.87Å; A388-C392 PolarHBondContact O-SG 3.42Å; A388-P404 HydrophobicContact CB-CB 3.69Å; A388-D407 WeakPolarHBondContact CB-O 3.33Å; A388-D407 PolarHBondContact N-O 2.99Å; A388-I410 HydrophobicContact CB-CD1 4.28Å; A388-I410 HydrophobicContact CB-CG1 3.73Å |
| 389 | W | 96 | Very high | 95.8 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 21% | 0.205 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -50 | 172.3 | -177 | -102.5 | 0 | 0 | 0 | 111.7 | H46 P47 L48 N387 V391 C392 L393 K403 P404 | H46-W389 AromaticContact CD2-CH2 3.27Å; H46-W389 WeakPolarHBondContact CD2-CH2 3.49Å; H46-W389 AromaticContact CD2-CZ2 3.85Å; H46-W389 AromaticContact CD2-CZ3 3.42Å; H46-W389 VanDerWaalsContact CD2-CZ3 3.42Å; H46-W389 WeakPolarHBondContact CD2-CZ3 3.36Å; H46-W389 AromaticContact NE2-CH2 3.46Å; H46-W389 WeakPolarHBondContact NE2-CH2 3.48Å; H46-W389 AromaticContact NE2-CZ2 3.52Å; H46-W389 AromaticContact NE2-CZ3 3.96Å; P47-W389 WeakPolarHBondContact O-CH2 3.01Å; L48-W389 HydrophobicContact CD1-CH2 4.27Å; L48-W389 HydrophobicContact CD1-CZ2 4.42Å; N387-W389 VanDerWaalsContact C-N 3.26Å; N387-W389 PolarHBondContact O-N 2.95Å; N387-W389 WeakPolarHBondContact OD1-CA 3.13Å; N387-W389 WeakPolarHBondContact OD1-CB 3.34Å; N387-W389 PolarHBondContact OD1-N 3.46Å; W389-V391 VanDerWaalsContact C-N 3.28Å; W389-V391 PolarHBondContact O-N 2.86Å; W389-C392 WeakPolarHBondContact O-CA 3.38Å; W389-C392 WeakPolarHBondContact O-CB 3.2Å; W389-C392 PolarHBondContact O-N 3.23Å; W389-L393 HydrophobicContact CZ2-CD2 4.41Å; W389-L393 PolarHBondContact O-N 3.37Å; W389-K403 VanDerWaalsContact CH2-NZ 3.3Å; W389-P404 HydrophobicContact CE3-CG 4.04Å |
| 390 | D | 95.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 40.8 Ų | 40.8 | 45% | 0.449 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -37.6 | -178.9 | -66.4 | -22.3 | 0 | 0 | 0 | 111.6 | N387 L393 K394 | N387-D390 HydrophobicContact CB-CB 4.36Å; N387-D390 PolarHBondContact O-N 3.38Å; D390-L393 PolarHBondContact O-N 3.49Å; D390-K394 WeakPolarHBondContact O-CG 3.43Å; D390-K394 PolarHBondContact O-N 3.48Å |
| 391 | V | 96.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 172.5 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | I382 N387 A388 W389 L393 K394 L395 I410 V433 I434 L437 | I382-V391 HydrophobicContact CD1-CG2 4.1Å; N387-V391 WeakPolarHBondContact O-CG2 3.47Å; N387-V391 PolarHBondContact O-N 3.31Å; A388-V391 PolarHBondContact O-N 3.49Å; W389-V391 VanDerWaalsContact C-N 3.28Å; W389-V391 PolarHBondContact O-N 2.86Å; V391-L393 VanDerWaalsContact C-N 3.34Å; V391-L393 PolarHBondContact O-N 3.37Å; V391-K394 PolarHBondContact O-N 3.29Å; V391-L395 HydrophobicContact CG1-CD1 4.12Å; V391-L395 HydrophobicContact CG1-CG 4.31Å; V391-L395 WeakPolarHBondContact O-CG 3.34Å; V391-L395 PolarHBondContact O-N 3.14Å; V391-I410 HydrophobicContact CB-CD1 3.54Å; V391-I410 HydrophobicContact CG1-CD1 3.44Å; V391-I410 VanDerWaalsContact CG1-CD1 3.44Å; V391-I410 HydrophobicContact CG2-CD1 4.1Å; V391-V433 HydrophobicContact CG1-CG1 3.95Å; V391-I434 HydrophobicContact CG1-CD1 3.64Å; V391-L437 HydrophobicContact CG2-CD1 3.57Å |
| 392 | C | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.8 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | L48 A388 W389 L395 R396 P404 | L48-C392 HydrophobicContact CD1-CB 4.14Å; A388-C392 PolarHBondContact O-N 2.87Å; A388-C392 PolarHBondContact O-SG 3.42Å; W389-C392 WeakPolarHBondContact O-CA 3.38Å; W389-C392 WeakPolarHBondContact O-CB 3.2Å; W389-C392 PolarHBondContact O-N 3.23Å; C392-L395 PolarHBondContact O-N 3.4Å; C392-R396 WeakPolarHBondContact O-CB 3.32Å; C392-R396 PolarHBondContact O-N 3.21Å; C392-P404 VanDerWaalsContact SG-CD 3.58Å |
| 393 | L | 96.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 171.3 | -68.6 | 179.3 | 0 | 0 | 0 | 111.4 | L48 P49 W389 D390 V391 R396 D397 | L48-L393 HydrophobicContact CD1-CD2 4.05Å; P49-L393 HydrophobicContact CG-CD2 4.1Å; W389-L393 HydrophobicContact CZ2-CD2 4.41Å; W389-L393 PolarHBondContact O-N 3.37Å; D390-L393 PolarHBondContact O-N 3.49Å; V391-L393 VanDerWaalsContact C-N 3.34Å; V391-L393 PolarHBondContact O-N 3.37Å; L393-R396 WeakPolarHBondContact O-CB 3.49Å; L393-R396 PolarHBondContact O-N 3.13Å; L393-D397 PolarHBondContact O-N 3.36Å |
| 394 | K | 96.8 | Very high | 95.5 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65 | -39.9 | 176.4 | -73 | -177.4 | 174 | -164.8 | 0 | 112.8 | D390 V391 D397 H398 V433 L437 | D390-K394 WeakPolarHBondContact O-CG 3.43Å; D390-K394 PolarHBondContact O-N 3.48Å; V391-K394 PolarHBondContact O-N 3.29Å; K394-D397 PolarHBondContact O-N 2.86Å; K394-H398 PolarHBondContact O-N 3.14Å; K394-H398 VanDerWaalsContact O-N 3.15Å; K394-H398 PolarHBondContact O-ND1 2.83Å; K394-V433 HydrophobicContact CB-CG1 3.57Å; K394-V433 HydrophobicContact CB-CG2 4.18Å; K394-V433 HydrophobicContact CD-CG1 4.28Å; K394-L437 HydrophobicContact CD-CD2 4.29Å |
| 395 | L | 97.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.4 | -72.4 | 170.8 | 0 | 0 | 0 | 110.5 | V391 C392 D397 H398 G399 L400 A402 I410 I429 I430 V433 | V391-L395 HydrophobicContact CG1-CD1 4.12Å; V391-L395 HydrophobicContact CG1-CG 4.31Å; V391-L395 WeakPolarHBondContact O-CG 3.34Å; V391-L395 PolarHBondContact O-N 3.14Å; C392-L395 PolarHBondContact O-N 3.4Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 3.25Å; L395-H398 CarbonylContact O-C 3.54Å; L395-H398 WeakPolarHBondContact O-CA 3.33Å; L395-H398 PolarHBondContact O-N 3.42Å; L395-H398 VanDerWaalsContact O-N 3.1Å; L395-G399 PolarHBondContact O-N 2.89Å; L395-L400 CarbonylContact C-O 3.5Å; L395-L400 HydrophobicContact CB-CB 4.44Å; L395-L400 HydrophobicContact CB-CD2 4.21Å; L395-L400 WeakPolarHBondContact CB-O 3.38Å; L395-L400 HydrophobicContact CD1-CD2 4.17Å; L395-L400 HydrophobicContact CD2-CD2 4.29Å; L395-L400 HydrophobicContact CG-CD2 4.46Å; L395-L400 PolarHBondContact O-N 3.41Å; L395-A402 HydrophobicContact CD1-CB 4.12Å; L395-I410 HydrophobicContact CD1-CG2 4.47Å; L395-I429 HydrophobicContact CD2-CG2 4.11Å; L395-I430 HydrophobicContact CD2-CG1 4.03Å; L395-V433 HydrophobicContact CD2-CB 3.95Å; L395-V433 HydrophobicContact CD2-CG1 4.18Å; L395-V433 HydrophobicContact CD2-CG2 3.99Å; L395-V433 HydrophobicContact CG-CB 4.49Å; L395-V433 HydrophobicContact CG-CG1 4.2Å |
| 396 | R | 96.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.1 | -50 | 175.2 | 172.4 | -156.8 | 70.3 | 175.2 | -5 | 111.1 | L48 P49 V50 Y78 C392 L393 H398 G399 L400 L401 | L48-R396 HydrophobicContact CD2-CB 3.85Å; L48-R396 HydrophobicContact CD2-CG 4.13Å; P49-R396 VanDerWaalsContact CG-NH1 3.25Å; P49-R396 PolarHBondContact O-NH1 2.65Å; V50-R396 HydrophobicContact CG2-CG 3.45Å; V50-R396 VanDerWaalsContact CG2-CG 3.45Å; Y78-R396 HydrophobicContact CE1-CG 3.85Å; Y78-R396 VanDerWaalsContact CE1-O 3.29Å; Y78-R396 WeakPolarHBondContact CE1-O 3.42Å; C392-R396 WeakPolarHBondContact O-CB 3.32Å; C392-R396 PolarHBondContact O-N 3.21Å; L393-R396 WeakPolarHBondContact O-CB 3.49Å; L393-R396 PolarHBondContact O-N 3.13Å; R396-H398 PolarHBondContact O-N 3.17Å; R396-G399 WeakPolarHBondContact O-CA 3.46Å; R396-G399 PolarHBondContact O-N 3.11Å; R396-L400 WeakPolarHBondContact CA-O 3.32Å; R396-L400 PolarHBondContact N-O 2.95Å; R396-L401 HydrophobicContact CB-CD2 4.16Å; R396-L401 HydrophobicContact CG-CD2 3.92Å |
| 397 | D | 96.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -31.3 | -177.9 | -62 | -10.7 | 0 | 0 | 0 | 111.3 | L23 R24 L393 K394 L395 | L23-D397 WeakPolarHBondContact CA-O 3.32Å; L23-D397 HydrophobicContact CD2-CB 4.06Å; R24-D397 PolarHBondContact N-O 3.47Å; L393-D397 PolarHBondContact O-N 3.36Å; K394-D397 PolarHBondContact O-N 2.86Å; L395-D397 VanDerWaalsContact C-N 3.34Å; L395-D397 PolarHBondContact O-N 3.25Å |
| 398 | H | 96.5 | Very high | 94.7 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 18% | 0.176 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -84.7 | -3.2 | 173.6 | -71.8 | 83.8 | 0 | 0 | 0 | 114.9 | R24 K394 L395 R396 I429 K432 V433 | R24-H398 PolarHBondContact NH1-O 3.11Å; R24-H398 VanDerWaalsContact NH1-O 3.12Å; K394-H398 PolarHBondContact O-N 3.14Å; K394-H398 VanDerWaalsContact O-N 3.15Å; K394-H398 PolarHBondContact O-ND1 2.83Å; L395-H398 CarbonylContact O-C 3.54Å; L395-H398 WeakPolarHBondContact O-CA 3.33Å; L395-H398 PolarHBondContact O-N 3.42Å; L395-H398 VanDerWaalsContact O-N 3.1Å; R396-H398 PolarHBondContact O-N 3.17Å; H398-I429 HydrophobicContact CB-CG2 3.56Å; H398-I429 WeakPolarHBondContact O-CD1 3.49Å; H398-K432 PolarHBondContact CD2-NZ 3.26Å; H398-K432 WeakPolarHBondContact NE2-CE 3.48Å; H398-K432 PolarHBondContact NE2-NZ 3.44Å; H398-V433 HydrophobicContact CB-CG2 4.39Å |
| 399 | G | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 17.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | R24 Y78 M79 L395 R396 | R24-G399 VanDerWaalsContact NH1-N 3.2Å; Y78-G399 CarbonylContact C-O 3.59Å; Y78-G399 VanDerWaalsContact CA-O 3.3Å; Y78-G399 WeakPolarHBondContact CA-O 3.38Å; M79-G399 PolarHBondContact N-O 3.38Å; L395-G399 PolarHBondContact O-N 2.89Å; R396-G399 WeakPolarHBondContact O-CA 3.46Å; R396-G399 PolarHBondContact O-N 3.11Å |
| 400 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.6 | 177.5 | -172.3 | 150.6 | 0 | 0 | 0 | 109.4 | F81 L395 R396 A402 L412 A426 I429 I430 | F81-L400 HydrophobicContact CB-CD2 3.79Å; F81-L400 HydrophobicContact CB-CG 4.16Å; F81-L400 HydrophobicContact CD1-CD1 4.36Å; F81-L400 HydrophobicContact CD2-CD1 3.87Å; F81-L400 HydrophobicContact CD2-CD2 4.41Å; F81-L400 HydrophobicContact CD2-CG 3.87Å; F81-L400 HydrophobicContact CE2-CD1 4.08Å; F81-L400 HydrophobicContact CG-CD1 4.04Å; F81-L400 HydrophobicContact CG-CD2 4.04Å; F81-L400 HydrophobicContact CG-CG 4Å; F81-L400 HydrophobicContact CZ-CD1 4.43Å; L395-L400 CarbonylContact C-O 3.5Å; L395-L400 HydrophobicContact CB-CB 4.44Å; L395-L400 HydrophobicContact CB-CD2 4.21Å; L395-L400 WeakPolarHBondContact CB-O 3.38Å; L395-L400 HydrophobicContact CD1-CD2 4.17Å; L395-L400 HydrophobicContact CD2-CD2 4.29Å; L395-L400 HydrophobicContact CG-CD2 4.46Å; L395-L400 PolarHBondContact O-N 3.41Å; R396-L400 WeakPolarHBondContact CA-O 3.32Å; R396-L400 PolarHBondContact N-O 2.95Å; L400-A402 HydrophobicContact CD2-CB 4Å; L400-L412 HydrophobicContact CD2-CD2 4.3Å; L400-A426 HydrophobicContact CD1-CB 3.79Å; L400-I429 HydrophobicContact CB-CG2 3.98Å; L400-I430 HydrophobicContact CD1-CD1 4.04Å; L400-I430 HydrophobicContact CD1-CG1 3.92Å |
| 401 | L | 97.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.4 | 177.9 | -59.1 | 178.7 | 0 | 0 | 0 | 109.7 | L48 V50 L52 V70 Y78 M79 F81 L82 R396 | L48-L401 HydrophobicContact CD2-CD2 4.05Å; V50-L401 HydrophobicContact CG2-CD2 3.9Å; L52-L401 HydrophobicContact CD1-CD1 4.22Å; L52-L401 HydrophobicContact CD2-CD1 4.02Å; V70-L401 HydrophobicContact CG2-CD1 3.67Å; Y78-L401 HydrophobicContact CD1-CD1 4.39Å; Y78-L401 HydrophobicContact CD1-CD2 3.54Å; Y78-L401 HydrophobicContact CD1-CG 3.87Å; Y78-L401 HydrophobicContact CE1-CD2 3.97Å; Y78-L401 HydrophobicContact CG-CD1 4.05Å; Y78-L401 HydrophobicContact CG-CD2 4.05Å; Y78-L401 HydrophobicContact CG-CG 3.95Å; M79-L401 PolarHBondContact O-N 3.39Å; F81-L401 CarbonylContact C-O 3.4Å; F81-L401 VanDerWaalsContact CA-O 3.25Å; F81-L401 WeakPolarHBondContact CA-O 3.44Å; F81-L401 VanDerWaalsContact CB-O 3.24Å; F81-L401 WeakPolarHBondContact CB-O 3.47Å; F81-L401 PolarHBondContact N-O 3.15Å; L82-L401 PolarHBondContact N-O 3.12Å; R396-L401 HydrophobicContact CB-CD2 4.16Å; R396-L401 HydrophobicContact CG-CD2 3.92Å |
| 402 | A | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 3% | 0.025 | 14% | 0.14 | C | C | . | . | trans | -134.6 | 162.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L395 L400 I410 L412 | L395-A402 HydrophobicContact CD1-CB 4.12Å; L400-A402 HydrophobicContact CD2-CB 4Å; A402-I410 HydrophobicContact CB-CG2 3.9Å; A402-L412 HydrophobicContact CB-CD2 3.98Å | ||
| 403 | K | 94.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 28.5 Ų | 28.5 | 12% | 0.122 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.8 | 178.4 | -164.9 | 71.7 | -174.3 | 178.3 | 0 | 110.1 | H46 L82 W389 R411 | H46-K403 PolarHBondContact O-NZ 3.15Å; L82-K403 HydrophobicContact CD1-CB 3.88Å; L82-K403 HydrophobicContact CD2-CB 4.03Å; W389-K403 VanDerWaalsContact CH2-NZ 3.3Å; K403-R411 PolarHBondContact O-N 3.23Å |
| 404 | P | 92.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 158.8 | 171.6 | 31.3 | -33.4 | 0 | 0 | 0 | 110.8 | A388 W389 C392 I409 | A388-P404 HydrophobicContact CB-CB 3.69Å; W389-P404 HydrophobicContact CE3-CG 4.04Å; C392-P404 VanDerWaalsContact SG-CD 3.58Å; P404-I409 CarbonylContact C-O 3.52Å; P404-I409 WeakPolarHBondContact CA-O 3.45Å; P404-I409 WeakPolarHBondContact CB-O 3.45Å |
| 405 | T | 86.5 | Confident | 94.9 | Very high | 14 Ų | 14 | 23 Ų | 23 | 9% | 0.086 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.4 | 156.1 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | E235 I409 R411 | E235-T405 WeakPolarHBondContact O-CG2 3.43Å; E235-T405 PolarHBondContact O-OG1 3.44Å; T405-I409 HydrophobicContact CG2-CB 3.94Å; T405-I409 HydrophobicContact CG2-CG2 4.06Å; T405-I409 PolarHBondContact N-O 3.41Å; T405-I409 VanDerWaalsContact O-CB 3.27Å; T405-I409 WeakPolarHBondContact O-CB 3.48Å; T405-R411 HydrophobicContact CG2-CG 4.08Å |
| 406 | H | 83 | Confident | 94.9 | Very high | 101 Ų | 101 | 22.9 Ų | 22.9 | 47% | 0.468 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -168.2 | -163.2 | -44.1 | -73.1 | 0 | 0 | 0 | 112 | E235 | E235-H406 PolarHBondContact O-NE2 2.77Š|
| 407 | D | 88.2 | Confident | 94.9 | Very high | 134 Ų | 134 | 22 Ų | 22 | 72% | 0.717 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -23.8 | -168.2 | -60.9 | -34 | 0 | 0 | 0 | 114.6 | A388 | A388-D407 WeakPolarHBondContact CB-O 3.33Å; A388-D407 PolarHBondContact N-O 2.99Å |
| 408 | T | 93.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 20 Ų | 20 | 13% | 0.129 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 3.8 | -166.4 | 59.3 | 0 | 0 | 0 | 0 | 114.7 | V381 I382 | V381-T408 CarbonylContact C-O 3.4Å; V381-T408 WeakPolarHBondContact CA-O 3.06Å; I382-T408 WeakPolarHBondContact CG1-O 3.46Å; I382-T408 PolarHBondContact N-O 2.97Å; I382-T408 WeakPolarHBondContact O-CB 3.49Å |
| 409 | I | 95.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.8 | -174.2 | -44.4 | 174.7 | 0 | 0 | 0 | 109.5 | A379 I380 V381 P404 T405 | A379-I409 HydrophobicContact CB-CG2 3.88Å; I380-I409 WeakPolarHBondContact O-CA 3.08Å; V381-I409 HydrophobicContact CG2-CG1 4.24Å; V381-I409 HydrophobicContact CG2-CG2 4.3Å; P404-I409 CarbonylContact C-O 3.52Å; P404-I409 WeakPolarHBondContact CA-O 3.45Å; P404-I409 WeakPolarHBondContact CB-O 3.45Å; T405-I409 HydrophobicContact CG2-CB 3.94Å; T405-I409 HydrophobicContact CG2-CG2 4.06Å; T405-I409 PolarHBondContact N-O 3.41Å; T405-I409 VanDerWaalsContact O-CB 3.27Å; T405-I409 WeakPolarHBondContact O-CB 3.48Å |
| 410 | I | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.3 | 177.9 | -57.5 | 166.4 | 0 | 0 | 0 | 108.5 | A379 I380 I382 A388 V391 L395 A402 L412 | A379-I410 WeakPolarHBondContact CA-O 3.38Å; A379-I410 WeakPolarHBondContact CB-O 3.29Å; I380-I410 HydrophobicContact CD1-CB 4.41Å; I380-I410 HydrophobicContact CD1-CD1 4.09Å; I380-I410 HydrophobicContact CG1-CB 3.84Å; I380-I410 HydrophobicContact CG1-CD1 4.27Å; I380-I410 HydrophobicContact CG1-CG1 4.47Å; I380-I410 PolarHBondContact N-O 2.98Å; I380-I410 PolarHBondContact O-N 3.34Å; I382-I410 HydrophobicContact CG2-CD1 4.28Å; A388-I410 HydrophobicContact CB-CD1 4.28Å; A388-I410 HydrophobicContact CB-CG1 3.73Å; V391-I410 HydrophobicContact CB-CD1 3.54Å; V391-I410 HydrophobicContact CG1-CD1 3.44Å; V391-I410 VanDerWaalsContact CG1-CD1 3.44Å; V391-I410 HydrophobicContact CG2-CD1 4.1Å; L395-I410 HydrophobicContact CD1-CG2 4.47Å; A402-I410 HydrophobicContact CB-CG2 3.9Å; I410-L412 HydrophobicContact CG2-CD2 4.34Å; I410-L412 HydrophobicContact CG2-CG 4.44Å |
| 411 | R | 97.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 27 Ų | 27 | 5% | 0.049 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 135.8 | 177.7 | -67.1 | -174.9 | -79.1 | -173.6 | -17.1 | 110.9 | Y85 E235 V238 K403 T405 | Y85-R411 VanDerWaalsContact CD1-NH1 3.28Å; Y85-R411 VanDerWaalsContact CE1-CZ 3.48Å; E235-R411 IonicContact OE1-CZ 3.38Å; E235-R411 IonicContact OE1-NH1 3.22Å; E235-R411 PolarHBondContact OE1-NH1 3.48Å; E235-R411 IonicContact OE1-NH2 2.73Å; E235-R411 IonicContact OE2-CZ 3.53Å; E235-R411 IonicContact OE2-NH1 3.61Å; E235-R411 PolarHBondContact OE2-NH1 3.22Å; E235-R411 IonicContact OE2-NH2 2.75Å; E235-R411 PolarHBondContact OE2-NH2 2.92Å; V238-R411 HydrophobicContact CG2-CG 4.25Å; K403-R411 PolarHBondContact O-N 3.23Å; T405-R411 HydrophobicContact CG2-CG 4.08Å |
| 412 | L | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 90.1 | -176.8 | -63 | 168.3 | 0 | 0 | 0 | 108.6 | F81 F356 L360 N378 I380 L400 A402 I410 I430 | F81-L412 HydrophobicContact CB-CD2 4.33Å; F81-L412 HydrophobicContact CD1-CB 4.27Å; F81-L412 HydrophobicContact CD1-CD2 4.1Å; F81-L412 CarbonylContact O-C 3.59Å; F356-L412 HydrophobicContact CE1-CB 3.76Å; F356-L412 HydrophobicContact CE1-CD1 4.46Å; F356-L412 HydrophobicContact CZ-CB 3.83Å; F356-L412 HydrophobicContact CZ-CD1 3.93Å; F356-L412 HydrophobicContact CZ-CG 4.37Å; L360-L412 HydrophobicContact CD1-CD1 4.46Å; L360-L412 HydrophobicContact CD2-CD1 4.08Å; N378-L412 PolarHBondContact N-O 3.21Å; N378-L412 VanDerWaalsContact N-O 3.15Å; N378-L412 CarbonylContact O-C 3Å; N378-L412 PolarHBondContact O-N 3.09Å; I380-L412 HydrophobicContact CG1-CD1 4.34Å; I380-L412 HydrophobicContact CG2-CD1 4.23Å; L400-L412 HydrophobicContact CD2-CD2 4.3Å; A402-L412 HydrophobicContact CB-CD2 3.98Å; I410-L412 HydrophobicContact CG2-CD2 4.34Å; I410-L412 HydrophobicContact CG2-CG 4.44Å; L412-I430 HydrophobicContact CD1-CD1 4.24Å; L412-I430 HydrophobicContact CD2-CD1 4.21Å |
| 413 | A | 97.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | trans | -134.9 | 81.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F81 L82 S83 L376 L377 | F81-A413 CarbonylContact C-O 3.52Å; F81-A413 CarbonylContact O-C 3.58Å; F81-A413 PolarHBondContact O-N 3.37Å; L82-A413 CarbonylContact C-O 3.59Å; L82-A413 VanDerWaalsContact C-O 3.26Å; S83-A413 VanDerWaalsContact CB-O 3.24Å; S83-A413 WeakPolarHBondContact CB-O 3.42Å; S83-A413 PolarHBondContact N-O 2.88Å; S83-A413 PolarHBondContact OG-O 2.89Å; L376-A413 VanDerWaalsContact O-CA 3.26Å; L376-A413 WeakPolarHBondContact O-CA 3.26Å; L377-A413 HydrophobicContact CD1-CB 4.12Å | ||
| 414 | P | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -70.9 | 163.6 | 177.8 | 31.1 | -35.9 | 0 | 0 | 0 | 111.9 | D80 F81 R271 L376 I418 | D80-P414 WeakPolarHBondContact O-CA 3.43Å; F81-P414 HydrophobicContact CD1-CB 4.24Å; F81-P414 HydrophobicContact CD1-CG 4.18Å; F81-P414 HydrophobicContact CD2-CB 4.06Å; F81-P414 HydrophobicContact CE1-CB 4.18Å; F81-P414 HydrophobicContact CE1-CG 3.89Å; F81-P414 HydrophobicContact CE2-CB 3.99Å; F81-P414 HydrophobicContact CG-CB 4.17Å; F81-P414 HydrophobicContact CZ-CB 4.03Å; F81-P414 HydrophobicContact CZ-CG 4.05Å; R271-P414 VanDerWaalsContact CZ-O 3.31Å; R271-P414 PolarHBondContact NH1-O 3.41Å; R271-P414 PolarHBondContact NH2-O 2.91Å; L376-P414 HydrophobicContact CD2-CG 4.16Å; P414-I418 HydrophobicContact CB-CD1 4Å; P414-I418 HydrophobicContact CG-CD1 4.13Å; P414-I418 HydrophobicContact CG-CG2 4.27Å | ||
| 415 | P | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -52.5 | 144.9 | 164.5 | -28.1 | 37.7 | 0 | 0 | 0 | 111.7 | I68 D80 V88 V417 I418 | I68-P415 HydrophobicContact CG2-CB 4.11Å; I68-P415 HydrophobicContact CG2-CG 4.28Å; D80-P415 WeakPolarHBondContact O-CD 3.34Å; V88-P415 VanDerWaalsContact O-CB 3.28Å; V88-P415 WeakPolarHBondContact O-CB 3.3Å; P415-V417 HydrophobicContact CB-CG2 4.05Å; P415-V417 PolarHBondContact O-N 3.32Å; P415-I418 WeakPolarHBondContact O-CB 3.48Å; P415-I418 WeakPolarHBondContact O-CG2 3.45Å; P415-I418 PolarHBondContact O-N 3.26Å | ||
| 416 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -16.5 | -174.3 | -51.2 | -173.3 | 0 | 0 | 0 | 112.5 | N89 R271 L340 L345 H348 A349 L376 I418 | N89-L416 HydrophobicContact CB-CD1 3.8Å; N89-L416 HydrophobicContact CB-CG 3.81Å; N89-L416 WeakPolarHBondContact O-CA 3.42Å; N89-L416 WeakPolarHBondContact O-CB 3.35Å; N89-L416 PolarHBondContact O-N 3.35Å; R271-L416 VanDerWaalsContact CZ-CD2 3.45Å; L340-L416 HydrophobicContact CD1-CD1 4.49Å; L345-L416 HydrophobicContact CB-CB 4.08Å; L345-L416 HydrophobicContact CB-CD1 4.05Å; L345-L416 HydrophobicContact CD1-CB 4.41Å; L345-L416 HydrophobicContact CD2-CB 4.48Å; H348-L416 PolarHBondContact CD2-O 3.44Å; A349-L416 HydrophobicContact CB-CD1 4.36Å; A349-L416 HydrophobicContact CB-CD2 3.91Å; L376-L416 HydrophobicContact CB-CD2 3.88Å; L376-L416 HydrophobicContact CD1-CD2 3.91Å; L376-L416 HydrophobicContact CG-CD2 4.49Å; L416-I418 PolarHBondContact O-N 2.64Å |
| 417 | V | 95.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 22 Ų | 22 | 7% | 0.073 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 0.6 | 176 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | I58 I68 Q90 L345 P415 | I58-V417 HydrophobicContact CD1-CB 3.87Å; I58-V417 HydrophobicContact CD1-CG1 3.83Å; I58-V417 HydrophobicContact CD1-CG2 4.17Å; I68-V417 HydrophobicContact CG2-CG2 4.48Å; Q90-V417 WeakPolarHBondContact O-CG1 3.28Å; L345-V417 HydrophobicContact CD1-CG1 4.38Å; L345-V417 HydrophobicContact CD2-CG1 3.85Å; P415-V417 HydrophobicContact CB-CG2 4.05Å; P415-V417 PolarHBondContact O-N 3.32Å |
| 418 | I | 94.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -54.6 | 136.2 | 176.7 | -174.5 | 161.6 | 0 | 0 | 0 | 111.4 | I68 F81 H348 L352 L376 P414 P415 L416 E422 L423 | I68-I418 HydrophobicContact CD1-CD1 4.15Å; I68-I418 HydrophobicContact CD1-CG1 4.03Å; I68-I418 HydrophobicContact CG2-CB 3.65Å; I68-I418 HydrophobicContact CG2-CG1 4.14Å; F81-I418 HydrophobicContact CE2-CD1 3.92Å; F81-I418 HydrophobicContact CZ-CD1 3.7Å; H348-I418 PolarHBondContact NE2-O 2.91Å; L352-I418 HydrophobicContact CD1-CG2 3.82Å; L352-I418 WeakPolarHBondContact CD1-O 3.49Å; L376-I418 HydrophobicContact CD1-CG2 3.78Å; P414-I418 HydrophobicContact CB-CD1 4Å; P414-I418 HydrophobicContact CG-CD1 4.13Å; P414-I418 HydrophobicContact CG-CG2 4.27Å; P415-I418 WeakPolarHBondContact O-CB 3.48Å; P415-I418 WeakPolarHBondContact O-CG2 3.45Å; P415-I418 PolarHBondContact O-N 3.26Å; L416-I418 PolarHBondContact O-N 2.64Å; I418-E422 HydrophobicContact CD1-CB 4.49Å; I418-E422 HydrophobicContact CG1-CB 3.98Å; I418-L423 HydrophobicContact CD1-CB 4.23Å; I418-L423 HydrophobicContact CD1-CD1 4.2Å; I418-L423 HydrophobicContact CG1-CB 4.43Å | ||
| 419 | K | 93.1 | Very high | 96.1 | Very high | 53 Ų | 53 | 21.8 Ų | 21.8 | 23% | 0.23 | 11% | 0.105 | C | C | . | . | trans | -85.8 | 160.7 | 173.4 | -69.5 | 179 | 178.6 | 150 | 0 | 112.7 | L64 S65 D421 E422 L423 | L64-K419 WeakPolarHBondContact O-CE 3.36Å; S65-K419 VanDerWaalsContact CB-CD 3.43Å; S65-K419 WeakPolarHBondContact OG-CD 3.34Å; S65-K419 WeakPolarHBondContact OG-CE 3.46Å; S65-K419 PolarHBondContact OG-NZ 2.8Å; K419-D421 VanDerWaalsContact C-N 3.35Å; K419-D421 WeakPolarHBondContact CB-OD1 3.45Å; K419-D421 PolarHBondContact O-N 2.82Å; K419-E422 HydrophobicContact CB-CB 4.46Å; K419-E422 HydrophobicContact CB-CG 4.14Å; K419-E422 PolarHBondContact N-OE2 2.73Å; K419-E422 PolarHBondContact O-N 3.05Å; K419-L423 WeakPolarHBondContact O-CB 3.43Å; K419-L423 PolarHBondContact O-N 2.65Å | ||
| 420 | E | 94.4 | Very high | 96.2 | Very high | 66 Ų | 66 | 21.1 Ų | 21.1 | 31% | 0.308 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -61 | -39.5 | 178.8 | -165.9 | 175.5 | 132.7 | 0 | 0 | 112.6 | K351 L352 I355 L423 H424 | K351-E420 IonicContact NZ-OE2 3.8Å; K351-E420 PolarHBondContact NZ-OE2 2.81Å; L352-E420 HydrophobicContact CD2-CB 3.95Å; L352-E420 HydrophobicContact CD2-CG 4.04Å; I355-E420 HydrophobicContact CD1-CG 4.05Å; E420-L423 WeakPolarHBondContact O-CB 3.42Å; E420-L423 PolarHBondContact O-N 2.96Å; E420-H424 PolarHBondContact O-CD2 3.42Å; E420-H424 PolarHBondContact O-N 3.37Å |
| 421 | D | 93.5 | Very high | 96.3 | Very high | 67 Ų | 67 | 23 Ų | 23 | 36% | 0.358 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -67.8 | -36.2 | 176.1 | 63.7 | -37.6 | 0 | 0 | 0 | 112.8 | K419 H424 K425 | K419-D421 VanDerWaalsContact C-N 3.35Å; K419-D421 WeakPolarHBondContact CB-OD1 3.45Å; K419-D421 PolarHBondContact O-N 2.82Å; D421-H424 PolarHBondContact O-N 3.23Å; D421-K425 PolarHBondContact O-N 3.04Å |
| 422 | E | 93.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -39.8 | 174.1 | -62.2 | 173.8 | 152.8 | 0 | 0 | 111.7 | S65 I68 Y69 M79 I418 K419 K425 A426 | S65-E422 VanDerWaalsContact CB-CD 3.47Å; S65-E422 WeakPolarHBondContact CB-OE1 3.33Å; S65-E422 WeakPolarHBondContact CB-OE2 3.26Å; S65-E422 VanDerWaalsContact O-OE1 3.09Å; S65-E422 PolarHBondContact OG-OE1 2.67Å; I68-E422 HydrophobicContact CD1-CB 3.77Å; I68-E422 HydrophobicContact CD1-CG 4.17Å; Y69-E422 VanDerWaalsContact CE2-OE1 3.28Å; Y69-E422 WeakPolarHBondContact CE2-OE1 3.45Å; Y69-E422 PolarHBondContact OH-OE1 2.95Å; M79-E422 HydrophobicContact CE-CB 4.32Å; I418-E422 HydrophobicContact CD1-CB 4.49Å; I418-E422 HydrophobicContact CG1-CB 3.98Å; K419-E422 HydrophobicContact CB-CB 4.46Å; K419-E422 HydrophobicContact CB-CG 4.14Å; K419-E422 PolarHBondContact N-OE2 2.73Å; K419-E422 PolarHBondContact O-N 3.05Å; E422-K425 PolarHBondContact O-N 2.89Å; E422-A426 WeakPolarHBondContact O-CB 3.45Å; E422-A426 PolarHBondContact O-N 3.49Å |
| 423 | L | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.2 | -46.6 | 172.7 | -176.8 | 72.2 | 0 | 0 | 0 | 110.9 | F81 L352 I355 F356 I418 K419 E420 K425 A426 T427 | F81-L423 HydrophobicContact CZ-CD1 4.43Å; L352-L423 HydrophobicContact CB-CD2 4.09Å; L352-L423 HydrophobicContact CD2-CD2 4.32Å; L352-L423 WeakPolarHBondContact O-CD2 3.46Å; I355-L423 HydrophobicContact CB-CD2 4.16Å; I355-L423 HydrophobicContact CG2-CD2 3.99Å; F356-L423 HydrophobicContact CB-CD1 3.99Å; F356-L423 HydrophobicContact CB-CD2 4.11Å; F356-L423 HydrophobicContact CB-CG 4.48Å; F356-L423 HydrophobicContact CD2-CD1 3.74Å; F356-L423 HydrophobicContact CD2-CG 4.46Å; F356-L423 HydrophobicContact CE2-CD1 4.36Å; F356-L423 HydrophobicContact CG-CD1 3.88Å; I418-L423 HydrophobicContact CD1-CB 4.23Å; I418-L423 HydrophobicContact CD1-CD1 4.2Å; I418-L423 HydrophobicContact CG1-CB 4.43Å; K419-L423 WeakPolarHBondContact O-CB 3.43Å; K419-L423 PolarHBondContact O-N 2.65Å; E420-L423 WeakPolarHBondContact O-CB 3.42Å; E420-L423 PolarHBondContact O-N 2.96Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 3.26Å; L423-A426 WeakPolarHBondContact O-CB 3.43Å; L423-A426 PolarHBondContact O-N 3.22Å; L423-T427 WeakPolarHBondContact O-CG2 3.36Å; L423-T427 PolarHBondContact O-N 3.48Å; L423-T427 PolarHBondContact O-OG1 2.64Å |
| 424 | H | 96.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 27.9 Ų | 27.9 | 20% | 0.199 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 175.9 | -76.4 | -55.7 | 0 | 0 | 0 | 111.6 | E359 E420 D421 A426 T427 E428 | E359-H424 IonicContact OE1-CE1 3.78Å; E359-H424 IonicContact OE1-ND1 3.64Å; E420-H424 PolarHBondContact O-CD2 3.42Å; E420-H424 PolarHBondContact O-N 3.37Å; D421-H424 PolarHBondContact O-N 3.23Å; H424-A426 VanDerWaalsContact C-N 3.34Å; H424-A426 PolarHBondContact O-N 2.82Å; H424-T427 VanDerWaalsContact CA-OG1 3.29Å; H424-T427 WeakPolarHBondContact CA-OG1 3.46Å; H424-T427 PolarHBondContact O-N 3.34Å; H424-T427 VanDerWaalsContact O-N 3.14Å; H424-T427 PolarHBondContact O-OG1 3.24Å; H424-E428 WeakPolarHBondContact O-CG 3.29Å; H424-E428 PolarHBondContact O-N 3.37Å |
| 425 | K | 94.6 | Very high | 96.1 | Very high | 27 Ų | 27 | 30.5 Ų | 30.5 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 176.2 | -173.7 | 169.6 | -159.2 | 179.5 | 0 | 112.8 | T13 W19 D21 M79 D421 E422 L423 T427 E428 I429 | T13-K425 VanDerWaalsContact CB-NZ 3.33Å; T13-K425 HydrophobicContact CG2-CD 3.76Å; T13-K425 PolarHBondContact OG1-NZ 2.74Å; W19-K425 HydrophobicContact CH2-CD 4.4Å; W19-K425 HydrophobicContact CZ2-CD 3.89Å; W19-K425 HydrophobicContact CZ2-CG 4.44Å; D21-K425 IonicContact OD1-NZ 3.45Å; M79-K425 HydrophobicContact CE-CB 4.08Å; M79-K425 HydrophobicContact CE-CD 3.95Å; M79-K425 HydrophobicContact CE-CG 4.06Å; D421-K425 PolarHBondContact O-N 3.04Å; E422-K425 PolarHBondContact O-N 2.89Å; L423-K425 VanDerWaalsContact C-N 3.33Å; L423-K425 PolarHBondContact O-N 3.26Å; K425-T427 VanDerWaalsContact C-N 3.33Å; K425-E428 PolarHBondContact O-N 2.92Å; K425-I429 PolarHBondContact O-N 3.5Å; K425-I429 VanDerWaalsContact O-N 3.17Å |
| 426 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -42 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M79 F81 L400 E422 L423 H424 E428 I429 I430 | M79-A426 HydrophobicContact SD-CB 3.84Å; F81-A426 HydrophobicContact CD2-CB 4.49Å; F81-A426 HydrophobicContact CE1-CB 4.05Å; F81-A426 HydrophobicContact CE2-CB 3.44Å; F81-A426 VanDerWaalsContact CE2-CB 3.44Å; F81-A426 HydrophobicContact CZ-CB 3.17Å; L400-A426 HydrophobicContact CD1-CB 3.79Å; E422-A426 WeakPolarHBondContact O-CB 3.45Å; E422-A426 PolarHBondContact O-N 3.49Å; L423-A426 WeakPolarHBondContact O-CB 3.43Å; L423-A426 PolarHBondContact O-N 3.22Å; H424-A426 VanDerWaalsContact C-N 3.34Å; H424-A426 PolarHBondContact O-N 2.82Å; A426-E428 PolarHBondContact O-N 3.14Å; A426-I429 WeakPolarHBondContact O-CB 3.44Å; A426-I429 PolarHBondContact O-N 2.85Å; A426-I430 WeakPolarHBondContact O-CG1 3.45Å; A426-I430 PolarHBondContact O-N 2.87Å |
| 427 | T | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.9 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | F356 E359 L423 H424 K425 I429 I430 H431 | F356-T427 HydrophobicContact CD2-CG2 3.5Å; F356-T427 VanDerWaalsContact CD2-CG2 3.5Å; F356-T427 HydrophobicContact CE2-CG2 3.64Å; E359-T427 HydrophobicContact CB-CG2 3.55Å; E359-T427 HydrophobicContact CG-CG2 3.81Å; L423-T427 WeakPolarHBondContact O-CG2 3.36Å; L423-T427 PolarHBondContact O-N 3.48Å; L423-T427 PolarHBondContact O-OG1 2.64Å; H424-T427 VanDerWaalsContact CA-OG1 3.29Å; H424-T427 WeakPolarHBondContact CA-OG1 3.46Å; H424-T427 PolarHBondContact O-N 3.34Å; H424-T427 VanDerWaalsContact O-N 3.14Å; H424-T427 PolarHBondContact O-OG1 3.24Å; K425-T427 VanDerWaalsContact C-N 3.33Å; T427-I429 VanDerWaalsContact C-N 3.32Å; T427-I429 PolarHBondContact O-N 3.49Å; T427-I430 PolarHBondContact O-N 3.49Å; T427-H431 WeakPolarHBondContact O-CB 3.31Å; T427-H431 PolarHBondContact O-CD2 3.04Å; T427-H431 PolarHBondContact O-N 3.14Å |
| 428 | E | 97.2 | Very high | 95.2 | Very high | 133 Ų | 133 | 37 Ų | 37 | 62% | 0.621 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.8 | -42.9 | 172.2 | -72.3 | 174.1 | -178.1 | 0 | 0 | 111.6 | H424 K425 A426 H431 K432 | H424-E428 WeakPolarHBondContact O-CG 3.29Å; H424-E428 PolarHBondContact O-N 3.37Å; K425-E428 PolarHBondContact O-N 2.92Å; A426-E428 PolarHBondContact O-N 3.14Å; E428-H431 PolarHBondContact O-N 2.94Å; E428-K432 VanDerWaalsContact O-CB 3.31Å; E428-K432 WeakPolarHBondContact O-CB 3.45Å; E428-K432 PolarHBondContact O-N 3.08Å |
| 429 | I | 97.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 175.2 | -69 | 164.5 | 0 | 0 | 0 | 110.8 | W19 L395 H398 L400 K425 A426 T427 K432 V433 | W19-I429 HydrophobicContact CH2-CD1 3.96Å; W19-I429 HydrophobicContact CZ2-CD1 4.18Å; L395-I429 HydrophobicContact CD2-CG2 4.11Å; H398-I429 HydrophobicContact CB-CG2 3.56Å; H398-I429 WeakPolarHBondContact O-CD1 3.49Å; L400-I429 HydrophobicContact CB-CG2 3.98Å; K425-I429 PolarHBondContact O-N 3.5Å; K425-I429 VanDerWaalsContact O-N 3.17Å; A426-I429 WeakPolarHBondContact O-CB 3.44Å; A426-I429 PolarHBondContact O-N 2.85Å; T427-I429 VanDerWaalsContact C-N 3.32Å; T427-I429 PolarHBondContact O-N 3.49Å; I429-K432 PolarHBondContact O-N 3.1Å; I429-V433 WeakPolarHBondContact O-CG2 3.41Å; I429-V433 PolarHBondContact O-N 2.72Å |
| 430 | I | 98.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 179.3 | -65.5 | 162.9 | 0 | 0 | 0 | 110.2 | F356 L360 L363 L395 L400 L412 A426 T427 K432 V433 I434 | F356-I430 HydrophobicContact CE2-CD1 3.83Å; F356-I430 HydrophobicContact CZ-CD1 3.96Å; L360-I430 HydrophobicContact CD2-CG2 4.31Å; L363-I430 HydrophobicContact CD1-CG2 4.08Å; L363-I430 HydrophobicContact CD2-CG2 4.04Å; L395-I430 HydrophobicContact CD2-CG1 4.03Å; L400-I430 HydrophobicContact CD1-CD1 4.04Å; L400-I430 HydrophobicContact CD1-CG1 3.92Å; L412-I430 HydrophobicContact CD1-CD1 4.24Å; L412-I430 HydrophobicContact CD2-CD1 4.21Å; A426-I430 WeakPolarHBondContact O-CG1 3.45Å; A426-I430 PolarHBondContact O-N 2.87Å; T427-I430 PolarHBondContact O-N 3.49Å; I430-K432 PolarHBondContact O-N 3.1Å; I430-V433 PolarHBondContact O-N 3.15Å; I430-I434 HydrophobicContact CG2-CG1 4.14Å; I430-I434 WeakPolarHBondContact O-CB 3.29Å; I430-I434 VanDerWaalsContact O-CG1 3.26Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 3.1Å |
| 431 | H | 97.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 54 Ų | 54 | 18% | 0.181 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 176.9 | -91 | -82.7 | 0 | 0 | 0 | 112 | E359 L363 T427 E428 V433 S435 | E359-H431 PolarHBondContact O-CE1 3.33Å; E359-H431 PolarHBondContact O-NE2 2.95Å; L363-H431 HydrophobicContact CD2-CB 4.43Å; T427-H431 WeakPolarHBondContact O-CB 3.31Å; T427-H431 PolarHBondContact O-CD2 3.04Å; T427-H431 PolarHBondContact O-N 3.14Å; E428-H431 PolarHBondContact O-N 2.94Å; H431-V433 PolarHBondContact O-N 3.12Å; H431-S435 WeakPolarHBondContact O-CB 3.48Å; H431-S435 PolarHBondContact O-N 3.17Å; H431-S435 PolarHBondContact O-OG 3.37Å |
| 432 | K | 96.5 | Very high | 91.7 | Very high | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 178.2 | -175.4 | -175.2 | -179.5 | -162.9 | 0 | 111.7 | H398 E428 I429 I430 S436 | H398-K432 PolarHBondContact CD2-NZ 3.26Å; H398-K432 WeakPolarHBondContact NE2-CE 3.48Å; H398-K432 PolarHBondContact NE2-NZ 3.44Å; E428-K432 VanDerWaalsContact O-CB 3.31Å; E428-K432 WeakPolarHBondContact O-CB 3.45Å; E428-K432 PolarHBondContact O-N 3.08Å; I429-K432 PolarHBondContact O-N 3.1Å; I430-K432 PolarHBondContact O-N 3.1Å; K432-S436 WeakPolarHBondContact O-CB 3.37Å; K432-S436 PolarHBondContact O-N 2.95Å; K432-S436 VanDerWaalsContact O-N 3.1Å |
| 433 | V | 97.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -50.2 | -178.5 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | V391 K394 L395 H398 I429 I430 H431 S435 S436 | V391-V433 HydrophobicContact CG1-CG1 3.95Å; K394-V433 HydrophobicContact CB-CG1 3.57Å; K394-V433 HydrophobicContact CB-CG2 4.18Å; K394-V433 HydrophobicContact CD-CG1 4.28Å; L395-V433 HydrophobicContact CD2-CB 3.95Å; L395-V433 HydrophobicContact CD2-CG1 4.18Å; L395-V433 HydrophobicContact CD2-CG2 3.99Å; L395-V433 HydrophobicContact CG-CB 4.49Å; L395-V433 HydrophobicContact CG-CG1 4.2Å; H398-V433 HydrophobicContact CB-CG2 4.39Å; I429-V433 WeakPolarHBondContact O-CG2 3.41Å; I429-V433 PolarHBondContact O-N 2.72Å; I430-V433 PolarHBondContact O-N 3.15Å; H431-V433 PolarHBondContact O-N 3.12Å; V433-S435 PolarHBondContact O-N 3.39Å; V433-S436 WeakPolarHBondContact O-CB 3.3Å; V433-S436 PolarHBondContact O-N 2.79Å; V433-S436 PolarHBondContact O-OG 3.22Å |
| 434 | I | 97.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.2 | -42.2 | -178.4 | -62.3 | -64.4 | 0 | 0 | 0 | 110.9 | L363 P364 V367 V368 I380 V391 I430 S436 L437 | L363-I434 HydrophobicContact CB-CG2 4.39Å; L363-I434 HydrophobicContact CD2-CB 4.03Å; L363-I434 HydrophobicContact CD2-CG1 4.17Å; L363-I434 HydrophobicContact CD2-CG2 4.24Å; P364-I434 HydrophobicContact CG-CG2 4.4Å; V367-I434 HydrophobicContact CB-CG2 4.04Å; V367-I434 HydrophobicContact CG1-CG2 3.96Å; V368-I434 HydrophobicContact CG2-CG2 3.77Å; I380-I434 HydrophobicContact CD1-CD1 3.9Å; I380-I434 HydrophobicContact CD1-CG1 4.39Å; V391-I434 HydrophobicContact CG1-CD1 3.64Å; I430-I434 HydrophobicContact CG2-CG1 4.14Å; I430-I434 WeakPolarHBondContact O-CB 3.29Å; I430-I434 VanDerWaalsContact O-CG1 3.26Å; I430-I434 WeakPolarHBondContact O-CG1 3.36Å; I430-I434 PolarHBondContact O-N 3.1Å; I434-S436 VanDerWaalsContact C-N 3.25Å; I434-S436 PolarHBondContact O-N 3.35Å; I434-L437 WeakPolarHBondContact O-CB 3.13Å; I434-L437 PolarHBondContact O-N 3.13Å |
| 435 | S | 95.9 | Very high | 91.1 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 38% | 0.378 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -30.9 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | H431 V433 L437 S438 | H431-S435 WeakPolarHBondContact O-CB 3.48Å; H431-S435 PolarHBondContact O-N 3.17Å; H431-S435 PolarHBondContact O-OG 3.37Å; V433-S435 PolarHBondContact O-N 3.39Å; S435-L437 PolarHBondContact O-N 3.33Å; S435-L437 VanDerWaalsContact O-N 3.14Å; S435-S438 PolarHBondContact O-N 3.36Å; S435-S438 VanDerWaalsContact O-N 3.15Å |
| 436 | S | 95.3 | Very high | 90.8 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.3 | 174.2 | 81.6 | 0 | 0 | 0 | 0 | 114.3 | K432 V433 I434 | K432-S436 WeakPolarHBondContact O-CB 3.37Å; K432-S436 PolarHBondContact O-N 2.95Å; K432-S436 VanDerWaalsContact O-N 3.1Å; V433-S436 WeakPolarHBondContact O-CB 3.3Å; V433-S436 PolarHBondContact O-N 2.79Å; V433-S436 PolarHBondContact O-OG 3.22Å; I434-S436 VanDerWaalsContact C-N 3.25Å; I434-S436 PolarHBondContact O-N 3.35Å |
| 437 | L | 93.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -20.8 | 177.7 | -56.7 | 172.3 | 0 | 0 | 0 | 112.4 | V367 F386 V391 K394 I434 S435 R439 | V367-L437 HydrophobicContact CG1-CB 4.16Å; V367-L437 HydrophobicContact CG1-CD1 4.12Å; V367-L437 HydrophobicContact CG2-CB 4.09Å; F386-L437 HydrophobicContact CD1-CB 4.1Å; F386-L437 HydrophobicContact CE1-CB 3.89Å; F386-L437 WeakPolarHBondContact CE1-O 3.3Å; V391-L437 HydrophobicContact CG2-CD1 3.57Å; K394-L437 HydrophobicContact CD-CD2 4.29Å; I434-L437 WeakPolarHBondContact O-CB 3.13Å; I434-L437 PolarHBondContact O-N 3.13Å; S435-L437 PolarHBondContact O-N 3.33Å; S435-L437 VanDerWaalsContact O-N 3.14Å; L437-R439 PolarHBondContact O-N 3.46Å; L437-R439 VanDerWaalsContact O-N 3.1Å |
| 438 | S | 83.3 | Confident | 89.8 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -68.1 | 112.6 | 176.2 | -165.6 | 0 | 0 | 0 | 0 | 108.1 | S366 S435 S440 | S366-S438 PolarHBondContact OG-OG 3.01Å; S435-S438 PolarHBondContact O-N 3.36Å; S435-S438 VanDerWaalsContact O-N 3.15Å; S438-S440 PolarHBondContact O-N 3.25Å |
| 439 | R | 67.3 | Low | 89.2 | Confident | 232 Ų | 232 | 67.2 Ų | 67.2 | 88% | 0.875 | 37% | 0.365 | S | S | * | . | trans | -62.4 | 127.2 | 164.2 | -63.3 | 179.4 | -176.8 | 173.9 | 1 | 106.3 | L437 | L437-R439 PolarHBondContact O-N 3.46Å; L437-R439 VanDerWaalsContact O-N 3.1Å | ||
| 440 | S | 51.2 | Low | 88.5 | Confident | 190 Ų | 190 | 71.6 Ų | 71.6 | 100% | 1.329 | 39% | 0.39 | S | S | * | . | trans | -52.2 | 0 | 171.4 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | S438 | S438-S440 PolarHBondContact O-N 3.25Š|
Retrieved 440 of 440 residues in 1661 ms
(Link to these results)