| 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 | 39.6 | Very low | 35.5 | Very low | 245 Ų | 245 | 140.2 Ų | 140.2 | 100% | 1.207 | 83% | 0.834 | S | S | * | * | 0 | 97.1 | 0 | -86.7 | 166.8 | 64.1 | 0 | 0 | 108 | |||||
| 2 | L | 32.2 | Very low | 35.5 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 90% | 0.901 | 84% | 0.838 | S | S | * | * | trans | -78.5 | 120.6 | 171.8 | -102.4 | 80.5 | 0 | 0 | 0 | 108 | ||||
| 3 | A | 35 | Very low | 35.4 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -85.9 | 114.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | L5 | A3-L5 PolarHBondContact O-N 3.06Š| ||
| 4 | L | 36.1 | Very low | 35.6 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 117.2 | 173.1 | -117.4 | 89.3 | 0 | 0 | 0 | 109.1 | ||||
| 5 | L | 35.1 | Very low | 35.7 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 117 | 163.7 | -110.1 | 99.9 | 0 | 0 | 0 | 108.7 | A3 | A3-L5 PolarHBondContact O-N 3.06Š| ||
| 6 | V | 36 | Very low | 36.3 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | -89.8 | 102.2 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | A8 | V6-A8 PolarHBondContact O-N 2.69Š| ||
| 7 | L | 36.6 | Very low | 36.8 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -78.1 | 106.3 | 167.3 | -100.3 | 128.9 | 0 | 0 | 0 | 108.5 | T9 | L7-T9 PolarHBondContact O-N 2.71Š| ||
| 8 | A | 33 | Very low | 37.7 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -75.5 | 101.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V6 V10 | V6-A8 PolarHBondContact O-N 2.69Å; A8-V10 PolarHBondContact O-N 2.78Å | ||
| 9 | T | 36 | Very low | 38.9 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | trans | -73 | 105.5 | 166.9 | 47 | 0 | 0 | 0 | 0 | 108.9 | L7 A11 | L7-T9 PolarHBondContact O-N 2.71Å; T9-A11 PolarHBondContact O-N 3.48Å | ||
| 10 | V | 36 | Very low | 40 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -74 | 103.2 | 165.4 | 179 | 0 | 0 | 0 | 0 | 106.8 | A8 L12 | A8-V10 PolarHBondContact O-N 2.78Å; V10-L12 PolarHBondContact O-N 3.44Å; V10-L12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | A | 35.1 | Very low | 42 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | -68.5 | 107.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | T9 A13 | T9-A11 PolarHBondContact O-N 3.48Å; A11-A13 PolarHBondContact O-N 3.26Å | ||
| 12 | L | 35.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 111.7 Ų | 111.7 | 88% | 0.88 | 67% | 0.669 | S | S | * | * | trans | -66.4 | 98.6 | 163.8 | -88.4 | 148.4 | 0 | 0 | 0 | 107.4 | V10 S14 | V10-L12 PolarHBondContact O-N 3.44Å; V10-L12 VanDerWaalsContact O-N 3.16Å; L12-S14 PolarHBondContact O-N 3.48Å | ||
| 13 | A | 34.2 | Very low | 47.6 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | trans | -62.5 | 106 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | A11 A15 | A11-A13 PolarHBondContact O-N 3.26Å; A13-A15 PolarHBondContact O-N 2.98Å; A13-A15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | S | 38.2 | Very low | 50.5 | Low | 107 Ų | 107 | 104.3 Ų | 104.3 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | trans | -63.9 | 108.9 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 107.9 | L12 H16 | L12-S14 PolarHBondContact O-N 3.48Å; S14-H16 PolarHBondContact O-N 3.44Å | ||
| 15 | A | 37.7 | Very low | 53.4 | Low | 75 Ų | 75 | 97.7 Ų | 97.7 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | trans | -68 | 82.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A13 H17 | A13-A15 PolarHBondContact O-N 2.98Å; A13-A15 VanDerWaalsContact O-N 3.11Å; A15-H17 PolarHBondContact O-N 2.85Å | ||
| 16 | H | 44.9 | Very low | 56.4 | Low | 147 Ų | 147 | 92.4 Ų | 92.4 | 68% | 0.681 | 56% | 0.555 | S | S | * | * | trans | -85.6 | 69.3 | 154.9 | -92.8 | 6.8 | 0 | 0 | 0 | 108 | S14 G18 | S14-H16 PolarHBondContact O-N 3.44Å; H16-G18 VanDerWaalsContact C-N 3.27Å; H16-G18 PolarHBondContact O-N 3.5Å | ||
| 17 | H | 44.7 | Very low | 59.4 | Low | 135 Ų | 135 | 86.2 Ų | 86.2 | 63% | 0.625 | 52% | 0.518 | S | S | * | . | trans | -86.7 | 20.6 | -174.9 | -90.2 | 43.3 | 0 | 0 | 0 | 113.9 | A15 H21 | A15-H17 PolarHBondContact O-N 2.85Å; H17-H21 PolarHBondContact O-CD2 2.92Å; H17-H21 VanDerWaalsContact O-CD2 3.28Å | ||
| 18 | G | 53 | Low | 62.4 | Low | 38 Ų | 38 | 79.3 Ų | 79.3 | 39% | 0.392 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -93.8 | -42.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H16 F22 | H16-G18 VanDerWaalsContact C-N 3.27Å; H16-G18 PolarHBondContact O-N 3.5Å; G18-F22 VanDerWaalsContact O-CD2 3.26Å; G18-F22 WeakPolarHBondContact O-CD2 3.34Å; G18-F22 WeakPolarHBondContact O-CE2 3.32Å |
| 19 | G | 59.9 | Low | 65.5 | Low | 5 Ų | 5 | 77 Ų | 77 | 5% | 0.052 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -75.5 | -38.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | H21 F22 R98 | G19-H21 PolarHBondContact O-N 3.43Å; G19-H21 VanDerWaalsContact O-N 3.07Å; G19-F22 PolarHBondContact O-N 2.83Å; G19-R98 WeakPolarHBondContact O-CB 3.19Å; G19-R98 WeakPolarHBondContact O-CG 3.36Å |
| 20 | E | 61.5 | Low | 68.5 | Low | 123 Ų | 123 | 70.8 Ų | 70.8 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.5 | -173.9 | -64.6 | -175.5 | 162.6 | 0 | 0 | 113.1 | F22 | E20-F22 PolarHBondContact O-N 3.33Š|
| 21 | H | 82.8 | Confident | 71.4 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 64% | 0.639 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -69.8 | -12.7 | 177.2 | -66.2 | -59.5 | 0 | 0 | 0 | 114.4 | H17 G19 | H17-H21 PolarHBondContact O-CD2 2.92Å; H17-H21 VanDerWaalsContact O-CD2 3.28Å; G19-H21 PolarHBondContact O-N 3.43Å; G19-H21 VanDerWaalsContact O-N 3.07Å |
| 22 | F | 92 | Very high | 74.4 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -113 | 14 | -177.2 | -54.3 | -63.4 | 0 | 0 | 0 | 113.2 | G18 G19 E20 G24 E25 L97 R98 V101 R231 F232 | G18-F22 VanDerWaalsContact O-CD2 3.26Å; G18-F22 WeakPolarHBondContact O-CD2 3.34Å; G18-F22 WeakPolarHBondContact O-CE2 3.32Å; G19-F22 PolarHBondContact O-N 2.83Å; E20-F22 PolarHBondContact O-N 3.33Å; F22-G24 PolarHBondContact O-N 2.73Å; F22-E25 WeakPolarHBondContact CD1-OE2 3.43Å; F22-E25 PolarHBondContact O-N 2.71Å; F22-L97 HydrophobicContact CB-CB 4.14Å; F22-L97 HydrophobicContact CB-CD2 4.4Å; F22-L97 HydrophobicContact CB-CG 4.22Å; F22-L97 HydrophobicContact CD1-CD2 4.32Å; F22-L97 HydrophobicContact CG-CD2 4.47Å; F22-R98 HydrophobicContact CB-CB 4.39Å; F22-R98 PolarHBondContact O-N 3.32Å; F22-V101 HydrophobicContact CD2-CB 4.48Å; F22-V101 HydrophobicContact CD2-CG1 4.37Å; F22-V101 HydrophobicContact CD2-CG2 4.08Å; F22-V101 HydrophobicContact CE2-CG1 4.5Å; F22-V101 HydrophobicContact CE2-CG2 4.48Å; F22-R231 HydrophobicContact CE2-CB 3.83Å; F22-R231 HydrophobicContact CZ-CB 3.76Å; F22-F232 HydrophobicContact CD1-CD2 4.15Å; F22-F232 AromaticContact CD1-CE2 3.79Å; F22-F232 HydrophobicContact CD1-CE2 3.79Å; F22-F232 HydrophobicContact CD2-CE2 4.25Å; F22-F232 AromaticContact CE1-CD2 3.51Å; F22-F232 HydrophobicContact CE1-CD2 3.51Å; F22-F232 AromaticContact CE1-CE2 3.54Å; F22-F232 HydrophobicContact CE1-CE2 3.54Å; F22-F232 HydrophobicContact CE2-CD2 4.5Å; F22-F232 HydrophobicContact CE2-CE2 4.02Å; F22-F232 HydrophobicContact CG-CE2 4.15Å; F22-F232 AromaticContact CZ-CD2 3.72Å; F22-F232 HydrophobicContact CZ-CD2 3.72Å; F22-F232 AromaticContact CZ-CE2 3.66Å; F22-F232 HydrophobicContact CZ-CE2 3.66Å |
| 23 | E | 96.6 | Very high | 77.4 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 123.8 | 179 | -177.3 | 66.1 | -121 | 0 | 0 | 110.7 | E25 A73 N96 R98 | E23-E25 PolarHBondContact O-N 2.89Å; E23-A73 WeakPolarHBondContact O-CB 3.41Å; E23-N96 PolarHBondContact OE1-ND2 3.15Å; E23-R98 WeakPolarHBondContact OE2-CD 3.28Å; E23-R98 IonicContact OE2-CZ 2.63Å; E23-R98 IonicContact OE2-NE 3.79Å; E23-R98 IonicContact OE2-NH1 3.8Å; E23-R98 PolarHBondContact OE2-NH1 2.81Å |
| 24 | G | 95.5 | Very high | 80.3 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | F22 N96 | F22-G24 PolarHBondContact O-N 2.73Å; G24-N96 PolarHBondContact N-OD1 3.34Å; G24-N96 VanDerWaalsContact N-OD1 3.14Å |
| 25 | E | 98 | Very high | 83.1 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | trans | -66.6 | 147.1 | 169.4 | -61.1 | -161.8 | 166.2 | 0 | 0 | 110.7 | F22 E23 R70 V71 N96 L97 | F22-E25 WeakPolarHBondContact CD1-OE2 3.43Å; F22-E25 PolarHBondContact O-N 2.71Å; E23-E25 PolarHBondContact O-N 2.89Å; E25-R70 VanDerWaalsContact CD-NH1 3.3Å; E25-R70 IonicContact OE1-NH1 3.68Å; E25-R70 PolarHBondContact OE1-NH1 3.32Å; E25-R70 VanDerWaalsContact OE1-NH1 3.16Å; E25-R70 WeakPolarHBondContact OE2-CD 3.38Å; E25-R70 IonicContact OE2-CZ 2.84Å; E25-R70 IonicContact OE2-NE 3.9Å; E25-R70 IonicContact OE2-NH1 3.67Å; E25-R70 PolarHBondContact OE2-NH1 3.44Å; E25-V71 WeakPolarHBondContact CA-O 3.36Å; E25-V71 WeakPolarHBondContact CB-O 3.4Å; E25-N96 WeakPolarHBondContact O-CA 3.26Å; E25-L97 HydrophobicContact CB-CB 4.01Å; E25-L97 HydrophobicContact CB-CD2 4.31Å; E25-L97 PolarHBondContact O-N 3.16Å | ||
| 26 | K | 98.4 | Very high | 86 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 19% | 0.191 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 157.4 | 180 | -59.8 | -172.7 | -176.2 | 176.6 | 0 | 111.8 | F28 R70 V71 I76 E80 V92 I94 | K26-F28 HydrophobicContact CB-CD2 4.35Å; K26-F28 HydrophobicContact CB-CE2 3.81Å; K26-F28 HydrophobicContact CB-CZ 4.23Å; K26-F28 HydrophobicContact CD-CE2 4.34Å; K26-F28 HydrophobicContact CD-CZ 3.93Å; K26-R70 WeakPolarHBondContact O-CA 3.5Å; K26-V71 PolarHBondContact N-O 3.46Å; K26-V71 VanDerWaalsContact N-O 3.15Å; K26-V71 PolarHBondContact O-N 2.96Å; K26-I76 HydrophobicContact CB-CD1 3.61Å; K26-I76 HydrophobicContact CD-CD1 3.98Å; K26-I76 HydrophobicContact CD-CG1 4.4Å; K26-I76 HydrophobicContact CD-CG2 3.89Å; K26-I76 HydrophobicContact CG-CD1 3.66Å; K26-I76 HydrophobicContact CG-CG1 4.23Å; K26-E80 IonicContact NZ-OE1 2.79Å; K26-E80 PolarHBondContact NZ-OE1 3.05Å; K26-V92 HydrophobicContact CB-CG1 4.48Å; K26-V92 HydrophobicContact CD-CG1 4.02Å; K26-I94 CarbonylContact C-O 3.59Å; K26-I94 WeakPolarHBondContact CA-O 3.46Å; K26-I94 WeakPolarHBondContact CB-O 3.41Å |
| 27 | V | 98.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124 | 165.1 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | W53 F69 R70 L93 I94 L97 | V27-W53 HydrophobicContact CG1-CD2 4.38Å; V27-W53 HydrophobicContact CG1-CE3 4.12Å; V27-W53 HydrophobicContact CG1-CZ3 4.36Å; V27-W53 HydrophobicContact CG2-CE3 4.48Å; V27-W53 HydrophobicContact CG2-CH2 3.84Å; V27-W53 HydrophobicContact CG2-CZ2 3.93Å; V27-W53 HydrophobicContact CG2-CZ3 4.12Å; V27-F69 WeakPolarHBondContact CA-O 3.43Å; V27-R70 HydrophobicContact CG2-CB 4.17Å; V27-R70 HydrophobicContact CG2-CG 4.48Å; V27-L93 HydrophobicContact CB-CB 4.45Å; V27-L93 HydrophobicContact CG1-CB 4.4Å; V27-L93 HydrophobicContact CG1-CD1 4.16Å; V27-L93 PolarHBondContact O-N 3.1Å; V27-I94 HydrophobicContact CB-CB 3.99Å; V27-I94 HydrophobicContact CB-CD1 4.29Å; V27-I94 HydrophobicContact CB-CG1 4.29Å; V27-I94 HydrophobicContact CG2-CB 4.1Å; V27-I94 HydrophobicContact CG2-CD1 3.97Å; V27-I94 HydrophobicContact CG2-CG1 4.4Å; V27-I94 PolarHBondContact N-O 2.72Å; V27-I94 PolarHBondContact O-N 2.76Å; V27-L97 HydrophobicContact CG2-CD1 4.26Å |
| 28 | F | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 148.2 | 176.4 | -67.5 | -90.3 | 0 | 0 | 0 | 110 | K26 V30 D68 F69 V71 I76 V79 E80 L83 E91 V92 | K26-F28 HydrophobicContact CB-CD2 4.35Å; K26-F28 HydrophobicContact CB-CE2 3.81Å; K26-F28 HydrophobicContact CB-CZ 4.23Å; K26-F28 HydrophobicContact CD-CE2 4.34Å; K26-F28 HydrophobicContact CD-CZ 3.93Å; F28-V30 HydrophobicContact CB-CG2 4.39Å; F28-D68 VanDerWaalsContact O-CA 3.24Å; F28-D68 WeakPolarHBondContact O-CA 3.48Å; F28-F69 HydrophobicContact CB-CE1 4.38Å; F28-F69 HydrophobicContact CB-CE2 4.21Å; F28-F69 HydrophobicContact CB-CZ 4.06Å; F28-F69 HydrophobicContact CD2-CE2 4.23Å; F28-F69 PolarHBondContact N-O 3.35Å; F28-F69 PolarHBondContact O-N 3.16Å; F28-V71 HydrophobicContact CD2-CB 4.36Å; F28-V71 HydrophobicContact CD2-CG2 3.68Å; F28-V71 HydrophobicContact CE2-CB 4.14Å; F28-V71 HydrophobicContact CE2-CG2 3.86Å; F28-I76 HydrophobicContact CE2-CD1 3.86Å; F28-I76 HydrophobicContact CZ-CD1 4.34Å; F28-I76 HydrophobicContact CZ-CG2 4.45Å; F28-V79 HydrophobicContact CD2-CG1 4.4Å; F28-V79 HydrophobicContact CE2-CG1 4.22Å; F28-E80 HydrophobicContact CE1-CG 3.72Å; F28-E80 HydrophobicContact CZ-CG 3.67Å; F28-L83 HydrophobicContact CD1-CD1 4.17Å; F28-E91 WeakPolarHBondContact CA-O 3.41Å; F28-V92 HydrophobicContact CD1-CG2 3.98Å; F28-V92 HydrophobicContact CE1-CG2 3.67Å; F28-V92 HydrophobicContact CZ-CG2 4.5Å |
| 29 | R | 98.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 47 Ų | 47 | 15% | 0.151 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.1 | 158.8 | 169.5 | 168.4 | -65.3 | 158.1 | -1.1 | 108.9 | T66 V67 D68 H90 E91 L93 T382 | R29-T66 HydrophobicContact CG-CG2 4.07Å; R29-V67 CarbonylContact C-O 3.58Å; R29-V67 VanDerWaalsContact CA-O 3.28Å; R29-V67 WeakPolarHBondContact CA-O 3.29Å; R29-D68 WeakPolarHBondContact CB-OD1 3.27Å; R29-D68 IonicContact CZ-OD1 3.71Å; R29-D68 IonicContact CZ-OD2 3.09Å; R29-D68 IonicContact NE-OD1 2.77Å; R29-D68 PolarHBondContact NE-OD1 3.23Å; R29-D68 IonicContact NE-OD2 3.37Å; R29-D68 IonicContact NH2-OD1 3.95Å; R29-D68 PolarHBondContact NH2-OD1 3.31Å; R29-D68 IonicContact NH2-OD2 3.64Å; R29-D68 PolarHBondContact NH2-OD2 2.8Å; R29-H90 CarbonylContact O-C 3.22Å; R29-H90 WeakPolarHBondContact O-CA 3.38Å; R29-H90 WeakPolarHBondContact O-CB 3.26Å; R29-E91 HydrophobicContact CB-CG 3.73Å; R29-E91 WeakPolarHBondContact CD-OE1 3.2Å; R29-E91 HydrophobicContact CG-CG 4.27Å; R29-E91 PolarHBondContact N-O 3.49Å; R29-E91 IonicContact NH1-OE1 2.71Å; R29-E91 PolarHBondContact O-N 2.92Å; R29-L93 HydrophobicContact CB-CD1 3.75Å; R29-L93 HydrophobicContact CB-CD2 4.14Å; R29-L93 HydrophobicContact CB-CG 3.76Å; R29-T382 PolarHBondContact NH1-O 2.89Å; R29-T382 PolarHBondContact NH2-O 3.28Å |
| 30 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.8 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | F28 I41 T66 V67 F69 L83 L88 H90 | F28-V30 HydrophobicContact CB-CG2 4.39Å; V30-I41 HydrophobicContact CG1-CD1 4.29Å; V30-T66 CarbonylContact O-C 3.49Å; V30-T66 WeakPolarHBondContact O-CA 3.33Å; V30-V67 PolarHBondContact N-O 3.03Å; V30-V67 PolarHBondContact O-N 3.11Å; V30-F69 HydrophobicContact CB-CE1 4.32Å; V30-F69 HydrophobicContact CG2-CE1 3.52Å; V30-F69 HydrophobicContact CG2-CZ 3.85Å; V30-L83 HydrophobicContact CG1-CD2 4.22Å; V30-L83 HydrophobicContact CG2-CD1 3.91Å; V30-L83 HydrophobicContact CG2-CD2 3.96Å; V30-L88 HydrophobicContact CG1-CB 4.02Å; V30-L88 HydrophobicContact CG1-CD1 4.24Å; V30-H90 HydrophobicContact CB-CB 4.41Å; V30-H90 HydrophobicContact CG1-CB 4.47Å; V30-H90 HydrophobicContact CG2-CB 3.88Å |
| 31 | N | 98 | Very high | 96.6 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.1 | 171.5 | -64.1 | -23 | 0 | 0 | 0 | 109.3 | T66 Q89 | N31-T66 VanDerWaalsContact OD1-CG2 3.23Å; N31-T66 WeakPolarHBondContact OD1-CG2 3.29Å; N31-Q89 HydrophobicContact CB-CB 4.28Å; N31-Q89 PolarHBondContact N-O 3.43Å; N31-Q89 PolarHBondContact ND2-OE1 3.18Å |
| 32 | V | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.8 | 175.7 | -67.3 | 0 | 0 | 0 | 0 | 108.6 | H37 I38 I41 I61 K62 H64 S65 V67 | V32-H37 HydrophobicContact CB-CB 4.01Å; V32-H37 HydrophobicContact CG1-CB 4.04Å; V32-I38 HydrophobicContact CB-CG1 4.24Å; V32-I38 HydrophobicContact CG2-CG1 4.48Å; V32-I41 HydrophobicContact CG1-CG1 4.35Å; V32-I61 HydrophobicContact CB-CG2 4.39Å; V32-I61 HydrophobicContact CG1-CG2 4.36Å; V32-I61 HydrophobicContact CG2-CG2 3.57Å; V32-K62 VanDerWaalsContact CG2-O 3.3Å; V32-K62 WeakPolarHBondContact CG2-O 3.3Å; V32-H64 WeakPolarHBondContact O-CA 3.22Å; V32-H64 PolarHBondContact O-N 2.9Å; V32-S65 VanDerWaalsContact CG2-O 3.24Å; V32-S65 WeakPolarHBondContact CG2-O 3.42Å; V32-S65 WeakPolarHBondContact CG2-OG 3.46Å; V32-S65 PolarHBondContact N-O 3.09Å; V32-S65 PolarHBondContact O-N 2.72Å; V32-S65 VanDerWaalsContact O-N 3.11Å; V32-V67 HydrophobicContact CG1-CG2 3.94Å; V32-V67 HydrophobicContact CG2-CG2 4.04Å |
| 33 | E | 97.3 | Very high | 97.5 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 38% | 0.379 | 22% | 0.221 | S | C | . | . | trans | -99 | -31.5 | -175.9 | -62 | -56.7 | 152.3 | 0 | 0 | 111.8 | H37 H64 | E33-H37 PolarHBondContact N-ND1 2.89Å; E33-H64 PolarHBondContact O-CE1 3.34Å; E33-H64 PolarHBondContact O-ND1 3.01Å; E33-H64 IonicContact OE2-CE1 3.3Å; E33-H64 IonicContact OE2-CG 3.39Å; E33-H64 IonicContact OE2-ND1 3.06Å; E33-H64 PolarHBondContact OE2-ND1 3.4Å | ||
| 34 | D | 97.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -147 | 178.3 | -175 | 64.8 | 28 | 0 | 0 | 0 | 112.4 | N36 H37 I38 | D34-N36 PolarHBondContact O-N 2.93Å; D34-N36 WeakPolarHBondContact OD1-CA 3.43Å; D34-N36 VanDerWaalsContact OD1-CB 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.35Å; D34-N36 PolarHBondContact OD1-N 2.89Å; D34-H37 PolarHBondContact O-N 2.85Å; D34-H37 IonicContact OD1-CD2 3.67Å; D34-H37 PolarHBondContact OD1-CD2 2.96Å; D34-H37 IonicContact OD1-CG 2.76Å; D34-H37 PolarHBondContact OD1-N 3.06Å; D34-I38 WeakPolarHBondContact O-CG1 3.39Å; D34-I38 PolarHBondContact O-N 2.93Å |
| 35 | E | 96.6 | Very high | 97.4 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 46% | 0.458 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.9 | -25.3 | 178 | -70.9 | -61.2 | 145.1 | 0 | 0 | 113.6 | I38 N39 | E35-I38 PolarHBondContact O-N 3.34Å; E35-N39 WeakPolarHBondContact O-CB 3.44Å; E35-N39 PolarHBondContact O-N 3.22Å; E35-N39 PolarHBondContact O-ND2 3.42Å |
| 36 | N | 97.3 | Very high | 97.1 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69 | -43.9 | 176.5 | -65.9 | -37.5 | 0 | 0 | 0 | 110.2 | D34 I38 N39 V40 | D34-N36 PolarHBondContact O-N 2.93Å; D34-N36 WeakPolarHBondContact OD1-CA 3.43Å; D34-N36 VanDerWaalsContact OD1-CB 3.29Å; D34-N36 WeakPolarHBondContact OD1-CB 3.35Å; D34-N36 PolarHBondContact OD1-N 2.89Å; N36-I38 VanDerWaalsContact C-N 3.28Å; N36-I38 PolarHBondContact O-N 2.91Å; N36-N39 PolarHBondContact O-N 3.05Å; N36-V40 WeakPolarHBondContact O-CG2 3.26Å; N36-V40 PolarHBondContact O-N 3.36Å |
| 37 | H | 98 | Very high | 96.8 | Very high | 42 Ų | 42 | 47.6 Ų | 47.6 | 19% | 0.194 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 174.3 | -68 | -160.5 | 0 | 0 | 0 | 110.9 | V32 E33 D34 N39 V40 I41 L88 | V32-H37 HydrophobicContact CB-CB 4.01Å; V32-H37 HydrophobicContact CG1-CB 4.04Å; E33-H37 PolarHBondContact N-ND1 2.89Å; D34-H37 PolarHBondContact O-N 2.85Å; D34-H37 IonicContact OD1-CD2 3.67Å; D34-H37 PolarHBondContact OD1-CD2 2.96Å; D34-H37 IonicContact OD1-CG 2.76Å; D34-H37 PolarHBondContact OD1-N 3.06Å; H37-N39 PolarHBondContact O-N 3.11Å; H37-V40 WeakPolarHBondContact O-CB 3.24Å; H37-V40 PolarHBondContact O-N 2.99Å; H37-I41 PolarHBondContact O-N 3.05Å; H37-L88 HydrophobicContact CB-CD2 3.67Å; H37-L88 VanDerWaalsContact ND1-CD2 3.32Å; H37-L88 WeakPolarHBondContact ND1-CD2 3.29Å |
| 38 | I | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | -60.4 | 173.4 | 0 | 0 | 0 | 111 | V32 D34 E35 N36 V40 I41 R42 I61 P63 | V32-I38 HydrophobicContact CB-CG1 4.24Å; V32-I38 HydrophobicContact CG2-CG1 4.48Å; D34-I38 WeakPolarHBondContact O-CG1 3.39Å; D34-I38 PolarHBondContact O-N 2.93Å; E35-I38 PolarHBondContact O-N 3.34Å; N36-I38 VanDerWaalsContact C-N 3.28Å; N36-I38 PolarHBondContact O-N 2.91Å; I38-V40 VanDerWaalsContact C-N 3.29Å; I38-V40 PolarHBondContact O-N 3.45Å; I38-I41 PolarHBondContact O-N 3.36Å; I38-R42 WeakPolarHBondContact O-CB 3.24Å; I38-R42 PolarHBondContact O-N 3.01Å; I38-I61 HydrophobicContact CD1-CG2 4.06Å; I38-I61 HydrophobicContact CG1-CB 4.44Å; I38-I61 HydrophobicContact CG1-CG2 3.73Å; I38-I61 HydrophobicContact CG2-CB 4.24Å; I38-I61 HydrophobicContact CG2-CG2 4.36Å; I38-P63 HydrophobicContact CD1-CG 4.2Å |
| 39 | N | 97.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 177.2 | -72.1 | -32.5 | 0 | 0 | 0 | 112.4 | E35 N36 H37 R42 N43 | E35-N39 WeakPolarHBondContact O-CB 3.44Å; E35-N39 PolarHBondContact O-N 3.22Å; E35-N39 PolarHBondContact O-ND2 3.42Å; N36-N39 PolarHBondContact O-N 3.05Å; H37-N39 PolarHBondContact O-N 3.11Å; N39-R42 PolarHBondContact O-N 3.26Å; N39-R42 PolarHBondContact OD1-NH1 3.09Å; N39-N43 WeakPolarHBondContact O-CB 3.39Å; N39-N43 PolarHBondContact O-N 2.71Å; N39-N43 PolarHBondContact O-ND2 2.89Å |
| 40 | V | 97.6 | Very high | 95.9 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | N36 H37 I38 R42 N43 L44 V82 N86 L88 | N36-V40 WeakPolarHBondContact O-CG2 3.26Å; N36-V40 PolarHBondContact O-N 3.36Å; H37-V40 WeakPolarHBondContact O-CB 3.24Å; H37-V40 PolarHBondContact O-N 2.99Å; I38-V40 VanDerWaalsContact C-N 3.29Å; I38-V40 PolarHBondContact O-N 3.45Å; V40-R42 VanDerWaalsContact C-N 3.29Å; V40-R42 PolarHBondContact O-N 3.25Å; V40-N43 PolarHBondContact O-N 3.29Å; V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 PolarHBondContact O-N 3.42Å; V40-V82 HydrophobicContact CG1-CG1 3.73Å; V40-N86 HydrophobicContact CG1-CB 4.26Å; V40-N86 HydrophobicContact CG2-CB 4.19Å; V40-L88 HydrophobicContact CB-CD1 4.17Å; V40-L88 HydrophobicContact CG1-CD1 3.73Å |
| 41 | I | 97.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.015 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.6 | -58.1 | -57 | 0 | 0 | 0 | 111.4 | V30 V32 H37 I38 L44 A45 F52 V58 I61 F69 L83 L88 | V30-I41 HydrophobicContact CG1-CD1 4.29Å; V32-I41 HydrophobicContact CG1-CG1 4.35Å; H37-I41 PolarHBondContact O-N 3.05Å; I38-I41 PolarHBondContact O-N 3.36Å; I41-L44 WeakPolarHBondContact O-CB 3.39Å; I41-L44 PolarHBondContact O-N 2.97Å; I41-A45 WeakPolarHBondContact O-CB 3.35Å; I41-A45 PolarHBondContact O-N 2.92Å; I41-F52 HydrophobicContact CG2-CE1 3.88Å; I41-F52 HydrophobicContact CG2-CZ 4Å; I41-V58 HydrophobicContact CG2-CG2 4.49Å; I41-I61 HydrophobicContact CB-CD1 4.45Å; I41-I61 HydrophobicContact CG2-CD1 3.91Å; I41-F69 HydrophobicContact CD1-CE1 4.31Å; I41-F69 HydrophobicContact CD1-CZ 4.49Å; I41-L83 HydrophobicContact CD1-CD2 3.95Å; I41-L88 HydrophobicContact CD1-CD1 4.14Å |
| 42 | R | 96.3 | Very high | 95.8 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 175.9 | -168.8 | -175.5 | -61.7 | 139.4 | 6.6 | 113 | I38 N39 V40 L44 A45 S46 V58 | I38-R42 WeakPolarHBondContact O-CB 3.24Å; I38-R42 PolarHBondContact O-N 3.01Å; N39-R42 PolarHBondContact O-N 3.26Å; N39-R42 PolarHBondContact OD1-NH1 3.09Å; V40-R42 VanDerWaalsContact C-N 3.29Å; V40-R42 PolarHBondContact O-N 3.25Å; R42-L44 VanDerWaalsContact C-N 3.28Å; R42-A45 PolarHBondContact O-N 2.85Å; R42-S46 PolarHBondContact O-N 2.8Å; R42-S46 VanDerWaalsContact O-N 3.12Å; R42-V58 HydrophobicContact CB-CG2 3.84Å; R42-V58 HydrophobicContact CG-CG2 4.13Å |
| 43 | N | 95.9 | Very high | 95.8 | Very high | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 175.4 | -69.2 | -21.6 | 0 | 0 | 0 | 111.9 | N39 V40 S46 T47 | N39-N43 WeakPolarHBondContact O-CB 3.39Å; N39-N43 PolarHBondContact O-N 2.71Å; N39-N43 PolarHBondContact O-ND2 2.89Å; V40-N43 PolarHBondContact O-N 3.29Å; N43-S46 PolarHBondContact O-OG 3.46Å; N43-T47 PolarHBondContact O-OG1 2.79Å |
| 44 | L | 95.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.8 | -52.7 | 173.1 | -169.9 | 63.1 | 0 | 0 | 0 | 110.4 | V40 I41 R42 S46 T47 T48 I50 V79 V82 | V40-L44 WeakPolarHBondContact O-CB 3.3Å; V40-L44 PolarHBondContact O-N 3.42Å; I41-L44 WeakPolarHBondContact O-CB 3.39Å; I41-L44 PolarHBondContact O-N 2.97Å; R42-L44 VanDerWaalsContact C-N 3.28Å; L44-S46 PolarHBondContact O-N 2.78Å; L44-S46 VanDerWaalsContact O-N 3.13Å; L44-T47 PolarHBondContact O-N 3.02Å; L44-T47 PolarHBondContact O-OG1 2.83Å; L44-T48 HydrophobicContact CD1-CG2 4.3Å; L44-T48 PolarHBondContact O-N 2.95Å; L44-T48 PolarHBondContact O-OG1 2.72Å; L44-I50 HydrophobicContact CD2-CD1 4.44Å; L44-I50 HydrophobicContact CG-CD1 4.42Å; L44-V79 HydrophobicContact CD1-CG2 4.06Å; L44-V79 HydrophobicContact CD2-CB 4.36Å; L44-V79 HydrophobicContact CD2-CG1 3.92Å; L44-V79 HydrophobicContact CD2-CG2 3.96Å; L44-V79 HydrophobicContact CG-CG2 4.31Å; L44-V82 HydrophobicContact CD1-CB 4.4Å; L44-V82 HydrophobicContact CD1-CG1 4.42Å; L44-V82 HydrophobicContact CD1-CG2 4.27Å |
| 45 | A | 94.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -18.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | I41 R42 I50 F52 | I41-A45 WeakPolarHBondContact O-CB 3.35Å; I41-A45 PolarHBondContact O-N 2.92Å; R42-A45 PolarHBondContact O-N 2.85Å; A45-I50 HydrophobicContact CB-CB 4.39Å; A45-I50 HydrophobicContact CB-CG1 4.33Å; A45-F52 HydrophobicContact CB-CE2 3.8Å; A45-F52 HydrophobicContact CB-CZ 3.87Å |
| 46 | S | 92.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -84.1 | -15 | 174.4 | 69.7 | 0 | 0 | 0 | 0 | 113.8 | R42 N43 L44 | R42-S46 PolarHBondContact O-N 2.8Å; R42-S46 VanDerWaalsContact O-N 3.12Å; N43-S46 PolarHBondContact O-OG 3.46Å; L44-S46 PolarHBondContact O-N 2.78Å; L44-S46 VanDerWaalsContact O-N 3.13Å |
| 47 | T | 92 | Very high | 95.3 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 68% | 0.681 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -118.1 | -21 | -175.3 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | N43 L44 | N43-T47 PolarHBondContact O-OG1 2.79Å; L44-T47 PolarHBondContact O-N 3.02Å; L44-T47 PolarHBondContact O-OG1 2.83Å |
| 48 | T | 92 | Very high | 95.1 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -127.1 | 153.7 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | L44 I50 T78 | L44-T48 HydrophobicContact CD1-CG2 4.3Å; L44-T48 PolarHBondContact O-N 2.95Å; L44-T48 PolarHBondContact O-OG1 2.72Å; T48-I50 PolarHBondContact O-N 2.81Å; T48-T78 HydrophobicContact CG2-CG2 4.43Å |
| 49 | Q | 90.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 44.7 Ų | 44.7 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | trans | -80 | 103.3 | 178.5 | -171.7 | 176.7 | -11.2 | 0 | 0 | 110 | ||||
| 50 | I | 94.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.2 | 179.5 | -57.4 | -63.3 | 0 | 0 | 0 | 110.3 | L44 A45 T48 F52 F69 V71 V79 | L44-I50 HydrophobicContact CD2-CD1 4.44Å; L44-I50 HydrophobicContact CG-CD1 4.42Å; A45-I50 HydrophobicContact CB-CB 4.39Å; A45-I50 HydrophobicContact CB-CG1 4.33Å; T48-I50 PolarHBondContact O-N 2.81Å; I50-F52 HydrophobicContact CB-CE2 4.11Å; I50-F52 HydrophobicContact CB-CZ 4.45Å; I50-F52 HydrophobicContact CG2-CD1 4.38Å; I50-F52 HydrophobicContact CG2-CD2 3.98Å; I50-F52 HydrophobicContact CG2-CE1 4.13Å; I50-F52 HydrophobicContact CG2-CE2 3.71Å; I50-F52 HydrophobicContact CG2-CG 4.31Å; I50-F52 HydrophobicContact CG2-CZ 3.79Å; I50-F69 HydrophobicContact CD1-CD2 4.06Å; I50-F69 HydrophobicContact CD1-CE2 4.18Å; I50-F69 HydrophobicContact CG2-CB 3.59Å; I50-F69 HydrophobicContact CG2-CD2 3.63Å; I50-F69 HydrophobicContact CG2-CG 3.78Å; I50-V71 HydrophobicContact CD1-CG2 3.87Å; I50-V79 HydrophobicContact CD1-CG2 4.24Å |
| 51 | D | 96.9 | Very high | 94.7 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 102.3 | 172.4 | 167.1 | 22.2 | 0 | 0 | 0 | 109.3 | W53 F69 R70 R178 | D51-W53 PolarHBondContact OD2-NE1 3.03Å; D51-F69 CarbonylContact O-C 3.33Å; D51-F69 WeakPolarHBondContact O-CA 2.89Å; D51-R70 HydrophobicContact CB-CB 4.12Å; D51-R70 PolarHBondContact N-O 3.35Å; D51-R70 VanDerWaalsContact N-O 3.1Å; D51-R70 PolarHBondContact O-N 2.75Å; D51-R70 IonicContact OD2-CZ 2.83Å; D51-R70 IonicContact OD2-NE 2.72Å; D51-R70 PolarHBondContact OD2-NE 3.11Å; D51-R70 IonicContact OD2-NH2 3.91Å; D51-R70 PolarHBondContact OD2-NH2 2.63Å; D51-R70 VanDerWaalsContact OD2-NH2 3.17Å; D51-R178 IonicContact OD1-CZ 2.65Å; D51-R178 IonicContact OD1-NH1 3.13Å; D51-R178 PolarHBondContact OD1-NH1 2.9Å; D51-R178 IonicContact OD2-NH1 3.9Å |
| 52 | F | 97.9 | Very high | 94.5 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127 | -178.8 | -72.7 | -82.9 | 0 | 0 | 0 | 111.2 | I41 A45 I50 P55 V58 I61 V67 F69 R178 | I41-F52 HydrophobicContact CG2-CE1 3.88Å; I41-F52 HydrophobicContact CG2-CZ 4Å; A45-F52 HydrophobicContact CB-CE2 3.8Å; A45-F52 HydrophobicContact CB-CZ 3.87Å; I50-F52 HydrophobicContact CB-CE2 4.11Å; I50-F52 HydrophobicContact CB-CZ 4.45Å; I50-F52 HydrophobicContact CG2-CD1 4.38Å; I50-F52 HydrophobicContact CG2-CD2 3.98Å; I50-F52 HydrophobicContact CG2-CE1 4.13Å; I50-F52 HydrophobicContact CG2-CE2 3.71Å; I50-F52 HydrophobicContact CG2-CG 4.31Å; I50-F52 HydrophobicContact CG2-CZ 3.79Å; F52-P55 WeakPolarHBondContact CB-O 3.38Å; F52-V58 HydrophobicContact CE1-CB 4.41Å; F52-V58 HydrophobicContact CE2-CB 4Å; F52-V58 HydrophobicContact CZ-CB 3.78Å; F52-V58 HydrophobicContact CZ-CG2 4.18Å; F52-I61 HydrophobicContact CE1-CD1 4.26Å; F52-V67 HydrophobicContact CD1-CG1 3.93Å; F52-V67 HydrophobicContact CE1-CG1 3.88Å; F52-F69 HydrophobicContact CD1-CB 4.05Å; F52-F69 HydrophobicContact CE1-CB 4.42Å; F52-R178 PolarHBondContact O-NH2 3.26Å |
| 53 | W | 97.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 42.5 Ų | 42.5 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -44.4 | 177.9 | -77 | 23 | 0 | 0 | 0 | 111.3 | V27 D51 P55 D68 I94 L97 F232 Y306 F387 | V27-W53 HydrophobicContact CG1-CD2 4.38Å; V27-W53 HydrophobicContact CG1-CE3 4.12Å; V27-W53 HydrophobicContact CG1-CZ3 4.36Å; V27-W53 HydrophobicContact CG2-CE3 4.48Å; V27-W53 HydrophobicContact CG2-CH2 3.84Å; V27-W53 HydrophobicContact CG2-CZ2 3.93Å; V27-W53 HydrophobicContact CG2-CZ3 4.12Å; D51-W53 PolarHBondContact OD2-NE1 3.03Å; W53-P55 CarbonylContact C-O 3.34Å; W53-D68 HydrophobicContact CB-CB 4.05Å; W53-D68 PolarHBondContact N-O 3.23Å; W53-I94 HydrophobicContact CH2-CD1 4.16Å; W53-I94 HydrophobicContact CZ3-CD1 4.21Å; W53-L97 HydrophobicContact CH2-CD1 4.18Å; W53-L97 HydrophobicContact CZ2-CD1 4.44Å; W53-F232 AromaticContact CH2-CE1 3.86Å; W53-F232 HydrophobicContact CH2-CE1 3.86Å; W53-F232 HydrophobicContact CH2-CZ 4.49Å; W53-F232 AromaticContact CZ2-CD1 3.64Å; W53-F232 HydrophobicContact CZ2-CD1 3.64Å; W53-F232 AromaticContact CZ2-CE1 3.34Å; W53-F232 HydrophobicContact CZ2-CE1 3.34Å; W53-F232 HydrophobicContact CZ2-CZ 4.03Å; W53-Y306 HydrophobicContact CB-CE1 4.15Å; W53-Y306 WeakPolarHBondContact CB-OH 3.39Å; W53-Y306 AromaticContact CE3-CE1 3.93Å; W53-Y306 HydrophobicContact CE3-CE1 3.93Å; W53-F387 HydrophobicContact CB-CE2 3.78Å; W53-F387 HydrophobicContact CB-CZ 4.35Å; W53-F387 AromaticContact CD1-CE2 3.72Å; W53-F387 AromaticContact CD2-CD2 3.57Å; W53-F387 HydrophobicContact CD2-CD2 3.57Å; W53-F387 AromaticContact CD2-CE2 3.52Å; W53-F387 HydrophobicContact CD2-CE2 3.52Å; W53-F387 AromaticContact CE2-CD2 3.67Å; W53-F387 AromaticContact CE2-CE2 3.93Å; W53-F387 AromaticContact CE3-CD2 3.87Å; W53-F387 HydrophobicContact CE3-CD2 3.87Å; W53-F387 HydrophobicContact CE3-CE2 4.04Å; W53-F387 AromaticContact CG-CD2 3.98Å; W53-F387 HydrophobicContact CG-CD2 3.98Å; W53-F387 AromaticContact CG-CE2 3.4Å; W53-F387 HydrophobicContact CG-CE2 3.4Å; W53-F387 VanDerWaalsContact CG-CE2 3.4Å; W53-F387 HydrophobicContact CG-CZ 4.41Å; W53-F387 HydrophobicContact CH2-CD2 4.33Å; W53-F387 HydrophobicContact CZ2-CD2 4.07Å; W53-F387 HydrophobicContact CZ3-CD2 4.23Å; W53-F387 AromaticContact NE1-CE2 3.99Å |
| 54 | K | 96.2 | Very high | 94.5 | Very high | 61 Ų | 61 | 44.8 Ų | 44.8 | 27% | 0.265 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 120.7 | 175.7 | -175.5 | -179.8 | -178.4 | 169.1 | 0 | 110.8 | V67 D68 S307 | K54-V67 CarbonylContact O-C 3.57Å; K54-V67 VanDerWaalsContact O-CA 3.25Å; K54-V67 WeakPolarHBondContact O-CA 3.45Å; K54-D68 HydrophobicContact CB-CB 4.02Å; K54-D68 PolarHBondContact N-O 3.4Å; K54-D68 VanDerWaalsContact N-O 3.08Å; K54-D68 PolarHBondContact O-N 3.37Å; K54-S307 WeakPolarHBondContact CD-OG 3.26Å; K54-S307 VanDerWaalsContact CE-OG 3.32Å; K54-S307 WeakPolarHBondContact CE-OG 3.47Å; K54-S307 PolarHBondContact NZ-OG 3.48Å |
| 55 | P | 96.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | S | Bend | cis | -62.7 | -178.4 | -13.7 | 34.3 | -40.7 | 0 | 0 | 0 | 111.7 | F52 W53 S57 Q60 I61 Y356 | F52-P55 WeakPolarHBondContact CB-O 3.38Å; W53-P55 CarbonylContact C-O 3.34Å; P55-S57 VanDerWaalsContact C-N 3.31Å; P55-S57 WeakPolarHBondContact CG-O 3.42Å; P55-S57 PolarHBondContact O-N 2.99Å; P55-Q60 HydrophobicContact CB-CB 3.55Å; P55-Q60 HydrophobicContact CG-CB 3.82Å; P55-I61 HydrophobicContact CG-CB 4.49Å; P55-I61 HydrophobicContact CG-CG1 3.67Å; P55-Y356 HydrophobicContact CB-CD1 3.56Å; P55-Y356 HydrophobicContact CB-CE1 3.15Å |
| 56 | D | 90.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 3% | 0.032 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -80 | -8.7 | -177 | 58.6 | 1.5 | 0 | 0 | 0 | 114.8 | Q60 R234 R252 T271 Y356 | D56-Q60 WeakPolarHBondContact OD1-CG 3.38Å; D56-R234 IonicContact OD2-CZ 3.43Å; D56-R234 IonicContact OD2-NH1 3.67Å; D56-R234 IonicContact OD2-NH2 3.05Å; D56-R234 PolarHBondContact OD2-NH2 2.63Å; D56-R252 IonicContact OD1-NH2 3.85Å; D56-R252 IonicContact OD2-CZ 2.73Å; D56-R252 IonicContact OD2-NH2 3.3Å; D56-R252 PolarHBondContact OD2-NH2 3.34Å; D56-T271 HydrophobicContact CB-CG2 3.99Å; D56-Y356 PolarHBondContact OD1-OH 3.2Å |
| 57 | S | 95 | Very high | 94.9 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -153.1 | 152.6 | 176.3 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | P55 T59 Q60 | P55-S57 VanDerWaalsContact C-N 3.31Å; P55-S57 WeakPolarHBondContact CG-O 3.42Å; P55-S57 PolarHBondContact O-N 2.99Å; S57-T59 PolarHBondContact O-N 3.29Å; S57-T59 VanDerWaalsContact O-N 3.15Å; S57-T59 PolarHBondContact OG-N 3.3Å; S57-T59 PolarHBondContact OG-OG1 3.23Å; S57-Q60 WeakPolarHBondContact O-CB 3.13Å; S57-Q60 PolarHBondContact O-N 3.13Å |
| 58 | V | 94.7 | Very high | 95.2 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -56.1 | -28.2 | 173.4 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | I41 R42 F52 Q60 I61 | I41-V58 HydrophobicContact CG2-CG2 4.49Å; R42-V58 HydrophobicContact CB-CG2 3.84Å; R42-V58 HydrophobicContact CG-CG2 4.13Å; F52-V58 HydrophobicContact CE1-CB 4.41Å; F52-V58 HydrophobicContact CE2-CB 4Å; F52-V58 HydrophobicContact CZ-CB 3.78Å; F52-V58 HydrophobicContact CZ-CG2 4.18Å; V58-Q60 PolarHBondContact O-N 3.06Å; V58-I61 HydrophobicContact CB-CD1 4.34Å; V58-I61 HydrophobicContact CG2-CD1 3.82Å; V58-I61 WeakPolarHBondContact O-CG1 3.36Å; V58-I61 PolarHBondContact O-N 3.35Å |
| 59 | T | 93.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 55% | 0.552 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -68.4 | -17 | 179.6 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | S57 | S57-T59 PolarHBondContact O-N 3.29Å; S57-T59 VanDerWaalsContact O-N 3.15Å; S57-T59 PolarHBondContact OG-N 3.3Å; S57-T59 PolarHBondContact OG-OG1 3.23Å |
| 60 | Q | 94.4 | Very high | 95.9 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -99.7 | -2.2 | -172.5 | -55.2 | -53.8 | 88.3 | 0 | 0 | 113 | P55 D56 S57 V58 G262 Y356 P357 | P55-Q60 HydrophobicContact CB-CB 3.55Å; P55-Q60 HydrophobicContact CG-CB 3.82Å; D56-Q60 WeakPolarHBondContact OD1-CG 3.38Å; S57-Q60 WeakPolarHBondContact O-CB 3.13Å; S57-Q60 PolarHBondContact O-N 3.13Å; V58-Q60 PolarHBondContact O-N 3.06Å; Q60-G262 VanDerWaalsContact NE2-CA 3.31Å; Q60-G262 VanDerWaalsContact OE1-CA 3.25Å; Q60-Y356 HydrophobicContact CB-CD1 4.05Å; Q60-Y356 HydrophobicContact CB-CD2 3.94Å; Q60-Y356 HydrophobicContact CB-CE1 4.42Å; Q60-Y356 HydrophobicContact CB-CE2 4.26Å; Q60-Y356 HydrophobicContact CB-CG 3.82Å; Q60-Y356 HydrophobicContact CG-CD2 4.01Å; Q60-Y356 HydrophobicContact CG-CE2 4.13Å; Q60-Y356 HydrophobicContact CG-CG 4.4Å; Q60-P357 PolarHBondContact NE2-O 2.97Å |
| 61 | I | 95.6 | Very high | 96 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | trans | -70.3 | 132.4 | -179.6 | -58 | 171.6 | 0 | 0 | 0 | 108.6 | V32 I38 I41 F52 P55 V58 V67 | V32-I61 HydrophobicContact CB-CG2 4.39Å; V32-I61 HydrophobicContact CG1-CG2 4.36Å; V32-I61 HydrophobicContact CG2-CG2 3.57Å; I38-I61 HydrophobicContact CD1-CG2 4.06Å; I38-I61 HydrophobicContact CG1-CB 4.44Å; I38-I61 HydrophobicContact CG1-CG2 3.73Å; I38-I61 HydrophobicContact CG2-CB 4.24Å; I38-I61 HydrophobicContact CG2-CG2 4.36Å; I41-I61 HydrophobicContact CB-CD1 4.45Å; I41-I61 HydrophobicContact CG2-CD1 3.91Å; F52-I61 HydrophobicContact CE1-CD1 4.26Å; P55-I61 HydrophobicContact CG-CB 4.49Å; P55-I61 HydrophobicContact CG-CG1 3.67Å; V58-I61 HydrophobicContact CB-CD1 4.34Å; V58-I61 HydrophobicContact CG2-CD1 3.82Å; V58-I61 WeakPolarHBondContact O-CG1 3.36Å; V58-I61 PolarHBondContact O-N 3.35Å; I61-V67 HydrophobicContact CB-CG2 4.42Å; I61-V67 HydrophobicContact CD1-CG1 3.98Å; I61-V67 HydrophobicContact CD1-CG2 3.86Å; I61-V67 HydrophobicContact CG1-CG1 4.34Å; I61-V67 HydrophobicContact CG1-CG2 3.91Å; I61-V67 HydrophobicContact CG2-CG2 3.61Å | ||
| 62 | K | 93.4 | Very high | 96 | Very high | 56 Ų | 56 | 33.1 Ų | 33.1 | 24% | 0.243 | 17% | 0.172 | C | C | . | . | trans | -111.1 | 152.7 | 177 | -67.8 | 175.9 | 175.8 | 169.7 | 0 | 110.7 | V32 S65 A352 I355 | V32-K62 VanDerWaalsContact CG2-O 3.3Å; V32-K62 WeakPolarHBondContact CG2-O 3.3Å; K62-S65 WeakPolarHBondContact O-CB 3.42Å; K62-S65 PolarHBondContact O-OG 2.64Å; K62-A352 PolarHBondContact NZ-O 3.16Å; K62-I355 PolarHBondContact NZ-O 3.36Å | ||
| 63 | P | 95.3 | Very high | 95.9 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 34% | 0.344 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 150.2 | 165.1 | -26 | 35.7 | 0 | 0 | 0 | 111.8 | I38 S65 | I38-P63 HydrophobicContact CD1-CG 4.2Å; P63-S65 VanDerWaalsContact C-N 3.33Å; P63-S65 PolarHBondContact O-N 2.9Å |
| 64 | H | 95.7 | Very high | 95.9 | Very high | 149 Ų | 149 | 41 Ų | 41 | 69% | 0.69 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42.6 | -177.2 | -48.9 | -59.8 | 0 | 0 | 0 | 113.9 | V32 E33 | V32-H64 WeakPolarHBondContact O-CA 3.22Å; V32-H64 PolarHBondContact O-N 2.9Å; E33-H64 PolarHBondContact O-CE1 3.34Å; E33-H64 PolarHBondContact O-ND1 3.01Å; E33-H64 IonicContact OE2-CE1 3.3Å; E33-H64 IonicContact OE2-CG 3.39Å; E33-H64 IonicContact OE2-ND1 3.06Å; E33-H64 PolarHBondContact OE2-ND1 3.4Å |
| 65 | S | 95.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 175.4 | 179.1 | 77.1 | 0 | 0 | 0 | 0 | 112.3 | V32 K62 P63 | V32-S65 VanDerWaalsContact CG2-O 3.24Å; V32-S65 WeakPolarHBondContact CG2-O 3.42Å; V32-S65 WeakPolarHBondContact CG2-OG 3.46Å; V32-S65 PolarHBondContact N-O 3.09Å; V32-S65 PolarHBondContact O-N 2.72Å; V32-S65 VanDerWaalsContact O-N 3.11Å; K62-S65 WeakPolarHBondContact O-CB 3.42Å; K62-S65 PolarHBondContact O-OG 2.64Å; P63-S65 VanDerWaalsContact C-N 3.33Å; P63-S65 PolarHBondContact O-N 2.9Å |
| 66 | T | 97.3 | Very high | 96 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 28% | 0.282 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.1 | 174.8 | 52.4 | 0 | 0 | 0 | 0 | 111 | R29 V30 N31 | R29-T66 HydrophobicContact CG-CG2 4.07Å; V30-T66 CarbonylContact O-C 3.49Å; V30-T66 WeakPolarHBondContact O-CA 3.33Å; N31-T66 VanDerWaalsContact OD1-CG2 3.23Å; N31-T66 WeakPolarHBondContact OD1-CG2 3.29Å |
| 67 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.3 | 176.2 | -169.1 | 0 | 0 | 0 | 0 | 109.4 | R29 V30 V32 F52 K54 I61 F69 | R29-V67 CarbonylContact C-O 3.58Å; R29-V67 VanDerWaalsContact CA-O 3.28Å; R29-V67 WeakPolarHBondContact CA-O 3.29Å; V30-V67 PolarHBondContact N-O 3.03Å; V30-V67 PolarHBondContact O-N 3.11Å; V32-V67 HydrophobicContact CG1-CG2 3.94Å; V32-V67 HydrophobicContact CG2-CG2 4.04Å; F52-V67 HydrophobicContact CD1-CG1 3.93Å; F52-V67 HydrophobicContact CE1-CG1 3.88Å; K54-V67 CarbonylContact O-C 3.57Å; K54-V67 VanDerWaalsContact O-CA 3.25Å; K54-V67 WeakPolarHBondContact O-CA 3.45Å; I61-V67 HydrophobicContact CB-CG2 4.42Å; I61-V67 HydrophobicContact CD1-CG1 3.98Å; I61-V67 HydrophobicContact CD1-CG2 3.86Å; I61-V67 HydrophobicContact CG1-CG1 4.34Å; I61-V67 HydrophobicContact CG1-CG2 3.91Å; I61-V67 HydrophobicContact CG2-CG2 3.61Å; V67-F69 HydrophobicContact CB-CD1 4.45Å; V67-F69 HydrophobicContact CG1-CD1 3.85Å; V67-F69 HydrophobicContact CG1-CE1 4.44Å |
| 68 | D | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.4 | 172.6 | -59.3 | -8.1 | 0 | 0 | 0 | 109.3 | F28 R29 W53 K54 L93 Y306 | F28-D68 VanDerWaalsContact O-CA 3.24Å; F28-D68 WeakPolarHBondContact O-CA 3.48Å; R29-D68 WeakPolarHBondContact CB-OD1 3.27Å; R29-D68 IonicContact CZ-OD1 3.71Å; R29-D68 IonicContact CZ-OD2 3.09Å; R29-D68 IonicContact NE-OD1 2.77Å; R29-D68 PolarHBondContact NE-OD1 3.23Å; R29-D68 IonicContact NE-OD2 3.37Å; R29-D68 IonicContact NH2-OD1 3.95Å; R29-D68 PolarHBondContact NH2-OD1 3.31Å; R29-D68 IonicContact NH2-OD2 3.64Å; R29-D68 PolarHBondContact NH2-OD2 2.8Å; W53-D68 HydrophobicContact CB-CB 4.05Å; W53-D68 PolarHBondContact N-O 3.23Å; K54-D68 HydrophobicContact CB-CB 4.02Å; K54-D68 PolarHBondContact N-O 3.4Å; K54-D68 VanDerWaalsContact N-O 3.08Å; K54-D68 PolarHBondContact O-N 3.37Å; D68-L93 HydrophobicContact CB-CD1 4.39Å; D68-Y306 VanDerWaalsContact CB-OH 3.32Å; D68-Y306 WeakPolarHBondContact CB-OH 3.49Å; D68-Y306 PolarHBondContact OD2-OH 3.01Å |
| 69 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 144.1 | 176.3 | 59.7 | -90.3 | 0 | 0 | 0 | 112.8 | V27 F28 V30 I41 I50 D51 F52 V67 V71 V79 | V27-F69 WeakPolarHBondContact CA-O 3.43Å; F28-F69 HydrophobicContact CB-CE1 4.38Å; F28-F69 HydrophobicContact CB-CE2 4.21Å; F28-F69 HydrophobicContact CB-CZ 4.06Å; F28-F69 HydrophobicContact CD2-CE2 4.23Å; F28-F69 PolarHBondContact N-O 3.35Å; F28-F69 PolarHBondContact O-N 3.16Å; V30-F69 HydrophobicContact CB-CE1 4.32Å; V30-F69 HydrophobicContact CG2-CE1 3.52Å; V30-F69 HydrophobicContact CG2-CZ 3.85Å; I41-F69 HydrophobicContact CD1-CE1 4.31Å; I41-F69 HydrophobicContact CD1-CZ 4.49Å; I50-F69 HydrophobicContact CD1-CD2 4.06Å; I50-F69 HydrophobicContact CD1-CE2 4.18Å; I50-F69 HydrophobicContact CG2-CB 3.59Å; I50-F69 HydrophobicContact CG2-CD2 3.63Å; I50-F69 HydrophobicContact CG2-CG 3.78Å; D51-F69 CarbonylContact O-C 3.33Å; D51-F69 WeakPolarHBondContact O-CA 2.89Å; F52-F69 HydrophobicContact CD1-CB 4.05Å; F52-F69 HydrophobicContact CE1-CB 4.42Å; V67-F69 HydrophobicContact CB-CD1 4.45Å; V67-F69 HydrophobicContact CG1-CD1 3.85Å; V67-F69 HydrophobicContact CG1-CE1 4.44Å; F69-V71 HydrophobicContact CD2-CG2 3.49Å; F69-V71 VanDerWaalsContact CD2-CG2 3.49Å; F69-V71 HydrophobicContact CE2-CG2 3.5Å; F69-V71 VanDerWaalsContact CE2-CG2 3.5Å; F69-V79 HydrophobicContact CE2-CG1 4.06Å; F69-V79 HydrophobicContact CZ-CG1 4.39Å |
| 70 | R | 98.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 138.8 | 174.5 | 178.1 | -179.2 | 72.2 | 104 | 2.2 | 110.2 | E25 K26 V27 D51 L97 | E25-R70 VanDerWaalsContact CD-NH1 3.3Å; E25-R70 IonicContact OE1-NH1 3.68Å; E25-R70 PolarHBondContact OE1-NH1 3.32Å; E25-R70 VanDerWaalsContact OE1-NH1 3.16Å; E25-R70 WeakPolarHBondContact OE2-CD 3.38Å; E25-R70 IonicContact OE2-CZ 2.84Å; E25-R70 IonicContact OE2-NE 3.9Å; E25-R70 IonicContact OE2-NH1 3.67Å; E25-R70 PolarHBondContact OE2-NH1 3.44Å; K26-R70 WeakPolarHBondContact O-CA 3.5Å; V27-R70 HydrophobicContact CG2-CB 4.17Å; V27-R70 HydrophobicContact CG2-CG 4.48Å; D51-R70 HydrophobicContact CB-CB 4.12Å; D51-R70 PolarHBondContact N-O 3.35Å; D51-R70 VanDerWaalsContact N-O 3.1Å; D51-R70 PolarHBondContact O-N 2.75Å; D51-R70 IonicContact OD2-CZ 2.83Å; D51-R70 IonicContact OD2-NE 2.72Å; D51-R70 PolarHBondContact OD2-NE 3.11Å; D51-R70 IonicContact OD2-NH2 3.91Å; D51-R70 PolarHBondContact OD2-NH2 2.63Å; D51-R70 VanDerWaalsContact OD2-NH2 3.17Å; R70-L97 HydrophobicContact CG-CD2 3.84Å |
| 71 | V | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.6 | 180 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | E25 K26 F28 I50 F69 D75 I76 V79 | E25-V71 WeakPolarHBondContact CA-O 3.36Å; E25-V71 WeakPolarHBondContact CB-O 3.4Å; K26-V71 PolarHBondContact N-O 3.46Å; K26-V71 VanDerWaalsContact N-O 3.15Å; K26-V71 PolarHBondContact O-N 2.96Å; F28-V71 HydrophobicContact CD2-CB 4.36Å; F28-V71 HydrophobicContact CD2-CG2 3.68Å; F28-V71 HydrophobicContact CE2-CB 4.14Å; F28-V71 HydrophobicContact CE2-CG2 3.86Å; I50-V71 HydrophobicContact CD1-CG2 3.87Å; F69-V71 HydrophobicContact CD2-CG2 3.49Å; F69-V71 VanDerWaalsContact CD2-CG2 3.49Å; F69-V71 HydrophobicContact CE2-CG2 3.5Å; F69-V71 VanDerWaalsContact CE2-CG2 3.5Å; V71-D75 HydrophobicContact CG1-CB 3.74Å; V71-I76 HydrophobicContact CB-CD1 3.7Å; V71-I76 HydrophobicContact CG1-CD1 3.73Å; V71-V79 HydrophobicContact CG1-CB 4.27Å; V71-V79 HydrophobicContact CG1-CG2 3.56Å; V71-V79 HydrophobicContact CG2-CG1 4.26Å; V71-V79 HydrophobicContact CG2-CG2 4.11Å |
| 72 | K | 96.5 | Very high | 96.9 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | trans | -64 | 151 | 174.8 | -69.1 | -172.7 | -177.6 | 175.5 | 0 | 111.9 | E74 D75 I76 | K72-E74 HydrophobicContact CB-CG 4.15Å; K72-E74 IonicContact NZ-OE1 3.66Å; K72-E74 PolarHBondContact O-N 2.68Å; K72-D75 PolarHBondContact O-N 3.46Å; K72-I76 WeakPolarHBondContact O-CG1 3.31Å; K72-I76 PolarHBondContact O-N 3.18Å | ||
| 73 | A | 96.6 | Very high | 97.2 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -53.3 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E23 D75 | E23-A73 WeakPolarHBondContact O-CB 3.41Å; A73-D75 VanDerWaalsContact C-N 3.28Å; A73-D75 PolarHBondContact O-N 2.82Å |
| 74 | E | 96.3 | Very high | 97.3 | Very high | 144 Ų | 144 | 47.1 Ų | 47.1 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -67.3 | -25.3 | -179.9 | 64.7 | -165.7 | 176.6 | 0 | 0 | 113.9 | K72 | K72-E74 HydrophobicContact CB-CG 4.15Å; K72-E74 IonicContact NZ-OE1 3.66Å; K72-E74 PolarHBondContact O-N 2.68Å |
| 75 | D | 97.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -98.3 | -9.1 | -175.9 | -68.9 | -37.9 | 0 | 0 | 0 | 113.3 | V71 K72 A73 V77 T78 V79 | V71-D75 HydrophobicContact CG1-CB 3.74Å; K72-D75 PolarHBondContact O-N 3.46Å; A73-D75 VanDerWaalsContact C-N 3.28Å; A73-D75 PolarHBondContact O-N 2.82Å; D75-V77 VanDerWaalsContact C-N 3.35Å; D75-V77 PolarHBondContact O-N 2.91Å; D75-T78 WeakPolarHBondContact O-CB 3.46Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.14Å; D75-V79 WeakPolarHBondContact O-CG2 3.41Å; D75-V79 PolarHBondContact O-N 2.67Å |
| 76 | I | 97.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.072 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.2 | -47.6 | -174 | -65.2 | -55.7 | 0 | 0 | 0 | 112.7 | K26 F28 V71 K72 T78 V79 E80 | K26-I76 HydrophobicContact CB-CD1 3.61Å; K26-I76 HydrophobicContact CD-CD1 3.98Å; K26-I76 HydrophobicContact CD-CG1 4.4Å; K26-I76 HydrophobicContact CD-CG2 3.89Å; K26-I76 HydrophobicContact CG-CD1 3.66Å; K26-I76 HydrophobicContact CG-CG1 4.23Å; F28-I76 HydrophobicContact CE2-CD1 3.86Å; F28-I76 HydrophobicContact CZ-CD1 4.34Å; F28-I76 HydrophobicContact CZ-CG2 4.45Å; V71-I76 HydrophobicContact CB-CD1 3.7Å; V71-I76 HydrophobicContact CG1-CD1 3.73Å; K72-I76 WeakPolarHBondContact O-CG1 3.31Å; K72-I76 PolarHBondContact O-N 3.18Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 2.97Å; I76-V79 PolarHBondContact O-N 2.96Å; I76-E80 HydrophobicContact CG2-CG 4.35Å; I76-E80 WeakPolarHBondContact O-CB 3.43Å; I76-E80 WeakPolarHBondContact O-CG 3.22Å; I76-E80 PolarHBondContact O-N 2.87Å |
| 77 | V | 97 | Very high | 97.4 | Very high | 99 Ų | 99 | 55.3 Ų | 55.3 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | -177 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | D75 N81 | D75-V77 VanDerWaalsContact C-N 3.35Å; D75-V77 PolarHBondContact O-N 2.91Å; V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 PolarHBondContact O-N 3.31Å; V77-N81 PolarHBondContact O-ND2 3.31Å |
| 78 | T | 96.9 | Very high | 97.4 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | T48 D75 I76 N81 V82 | T48-T78 HydrophobicContact CG2-CG2 4.43Å; D75-T78 WeakPolarHBondContact O-CB 3.46Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.14Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 2.97Å; T78-N81 PolarHBondContact O-N 3.45Å; T78-V82 WeakPolarHBondContact O-CG2 3.35Å; T78-V82 PolarHBondContact O-N 2.76Å |
| 79 | V | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -52 | 179 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | F28 L44 I50 F69 V71 D75 I76 N81 V82 L83 | F28-V79 HydrophobicContact CD2-CG1 4.4Å; F28-V79 HydrophobicContact CE2-CG1 4.22Å; L44-V79 HydrophobicContact CD1-CG2 4.06Å; L44-V79 HydrophobicContact CD2-CB 4.36Å; L44-V79 HydrophobicContact CD2-CG1 3.92Å; L44-V79 HydrophobicContact CD2-CG2 3.96Å; L44-V79 HydrophobicContact CG-CG2 4.31Å; I50-V79 HydrophobicContact CD1-CG2 4.24Å; F69-V79 HydrophobicContact CE2-CG1 4.06Å; F69-V79 HydrophobicContact CZ-CG1 4.39Å; V71-V79 HydrophobicContact CG1-CB 4.27Å; V71-V79 HydrophobicContact CG1-CG2 3.56Å; V71-V79 HydrophobicContact CG2-CG1 4.26Å; V71-V79 HydrophobicContact CG2-CG2 4.11Å; D75-V79 WeakPolarHBondContact O-CG2 3.41Å; D75-V79 PolarHBondContact O-N 2.67Å; I76-V79 PolarHBondContact O-N 2.96Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 3.29Å; V79-V82 PolarHBondContact O-N 3.24Å; V79-V82 VanDerWaalsContact O-N 3.14Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 HydrophobicContact CG1-CG 4.22Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.42Å |
| 80 | E | 97 | Very high | 97.4 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 16% | 0.159 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.2 | -37.6 | -179 | -76.5 | -172.3 | -164.7 | 0 | 0 | 112.3 | K26 F28 I76 L83 K84 | K26-E80 IonicContact NZ-OE1 2.79Å; K26-E80 PolarHBondContact NZ-OE1 3.05Å; F28-E80 HydrophobicContact CE1-CG 3.72Å; F28-E80 HydrophobicContact CZ-CG 3.67Å; I76-E80 HydrophobicContact CG2-CG 4.35Å; I76-E80 WeakPolarHBondContact O-CB 3.43Å; I76-E80 WeakPolarHBondContact O-CG 3.22Å; I76-E80 PolarHBondContact O-N 2.87Å; E80-L83 PolarHBondContact O-N 3.2Å; E80-K84 WeakPolarHBondContact O-CB 3.32Å; E80-K84 WeakPolarHBondContact O-CD 3.4Å; E80-K84 VanDerWaalsContact O-CG 3.23Å; E80-K84 WeakPolarHBondContact O-CG 3.28Å; E80-K84 PolarHBondContact O-N 2.6Å; E80-K84 IonicContact OE2-NZ 3.19Å; E80-K84 PolarHBondContact OE2-NZ 3.08Å |
| 81 | N | 97.5 | Very high | 97.3 | Very high | 73 Ų | 73 | 67.5 Ų | 67.5 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.6 | -73.9 | -21 | 0 | 0 | 0 | 111.5 | V77 T78 V79 K84 Q85 | V77-N81 WeakPolarHBondContact O-CB 3.47Å; V77-N81 PolarHBondContact O-N 3.31Å; V77-N81 PolarHBondContact O-ND2 3.31Å; T78-N81 PolarHBondContact O-N 3.45Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 3.29Å; N81-K84 PolarHBondContact O-N 3.44Å; N81-Q85 VanDerWaalsContact O-CB 3.29Å; N81-Q85 WeakPolarHBondContact O-CB 3.21Å; N81-Q85 WeakPolarHBondContact O-CG 3.22Å; N81-Q85 PolarHBondContact O-N 3.47Å |
| 82 | V | 97.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 70.3 Ų | 70.3 | 22% | 0.218 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V40 L44 T78 V79 K84 Q85 N86 | V40-V82 HydrophobicContact CG1-CG1 3.73Å; L44-V82 HydrophobicContact CD1-CB 4.4Å; L44-V82 HydrophobicContact CD1-CG1 4.42Å; L44-V82 HydrophobicContact CD1-CG2 4.27Å; T78-V82 WeakPolarHBondContact O-CG2 3.35Å; T78-V82 PolarHBondContact O-N 2.76Å; V79-V82 PolarHBondContact O-N 3.24Å; V79-V82 VanDerWaalsContact O-N 3.14Å; V82-K84 PolarHBondContact O-N 2.9Å; V82-Q85 PolarHBondContact O-N 2.85Å; V82-N86 PolarHBondContact O-N 3.42Å; V82-N86 VanDerWaalsContact O-N 3.16Å; V82-N86 PolarHBondContact O-ND2 3.2Å |
| 83 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 178.4 | -63.2 | -179.6 | 0 | 0 | 0 | 111.6 | F28 V30 I41 V79 E80 E87 L88 H90 | F28-L83 HydrophobicContact CD1-CD1 4.17Å; V30-L83 HydrophobicContact CG1-CD2 4.22Å; V30-L83 HydrophobicContact CG2-CD1 3.91Å; V30-L83 HydrophobicContact CG2-CD2 3.96Å; I41-L83 HydrophobicContact CD1-CD2 3.95Å; V79-L83 HydrophobicContact CG1-CD1 3.98Å; V79-L83 HydrophobicContact CG1-CG 4.22Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.42Å; E80-L83 PolarHBondContact O-N 3.2Å; L83-E87 PolarHBondContact O-N 3.39Å; L83-L88 HydrophobicContact CD2-CB 4.28Å; L83-L88 HydrophobicContact CD2-CD1 3.69Å; L83-L88 PolarHBondContact O-N 2.88Å; L83-H90 HydrophobicContact CD1-CB 4.13Å |
| 84 | K | 97.4 | Very high | 97.5 | Very high | 115 Ų | 115 | 67.1 Ų | 67.1 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 179.1 | -72.3 | 167.6 | -172.5 | 159.9 | 0 | 112.8 | E80 N81 V82 N86 E87 | E80-K84 WeakPolarHBondContact O-CB 3.32Å; E80-K84 WeakPolarHBondContact O-CD 3.4Å; E80-K84 VanDerWaalsContact O-CG 3.23Å; E80-K84 WeakPolarHBondContact O-CG 3.28Å; E80-K84 PolarHBondContact O-N 2.6Å; E80-K84 IonicContact OE2-NZ 3.19Å; E80-K84 PolarHBondContact OE2-NZ 3.08Å; N81-K84 PolarHBondContact O-N 3.44Å; V82-K84 PolarHBondContact O-N 2.9Å; K84-N86 VanDerWaalsContact C-N 3.26Å; K84-N86 PolarHBondContact O-N 2.97Å; K84-E87 PolarHBondContact O-N 3.18Å; K84-E87 VanDerWaalsContact O-N 3.09Å |
| 85 | Q | 97.4 | Very high | 97.6 | Very high | 150 Ų | 150 | 64.4 Ų | 64.4 | 70% | 0.701 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65 | -30.8 | -179.4 | -75.7 | 171.8 | 2 | 0 | 0 | 112.9 | N81 V82 E87 | N81-Q85 VanDerWaalsContact O-CB 3.29Å; N81-Q85 WeakPolarHBondContact O-CB 3.21Å; N81-Q85 WeakPolarHBondContact O-CG 3.22Å; N81-Q85 PolarHBondContact O-N 3.47Å; V82-Q85 PolarHBondContact O-N 2.85Å; Q85-E87 VanDerWaalsContact C-N 3.33Å |
| 86 | N | 97.6 | Very high | 97.6 | Very high | 75 Ų | 75 | 64.2 Ų | 64.2 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 11.4 | 176.1 | -65.5 | -86.3 | 0 | 0 | 0 | 112.3 | V40 V82 K84 L88 | V40-N86 HydrophobicContact CG1-CB 4.26Å; V40-N86 HydrophobicContact CG2-CB 4.19Å; V82-N86 PolarHBondContact O-N 3.42Å; V82-N86 VanDerWaalsContact O-N 3.16Å; V82-N86 PolarHBondContact O-ND2 3.2Å; K84-N86 VanDerWaalsContact C-N 3.26Å; K84-N86 PolarHBondContact O-N 2.97Å; N86-L88 HydrophobicContact CB-CD1 4.49Å; N86-L88 HydrophobicContact CB-CG 4.13Å; N86-L88 PolarHBondContact O-N 3.44Å |
| 87 | E | 97.3 | Very high | 97.6 | Very high | 176 Ų | 176 | 63.5 Ų | 63.5 | 82% | 0.822 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 29.4 | 177.9 | -56.6 | -175.7 | 158.6 | 0 | 0 | 113.9 | L83 K84 Q85 Q89 | L83-E87 PolarHBondContact O-N 3.39Å; K84-E87 PolarHBondContact O-N 3.18Å; K84-E87 VanDerWaalsContact O-N 3.09Å; Q85-E87 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 2.89Å |
| 88 | L | 97.8 | Very high | 97.5 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -72.8 | 120 | 179.2 | -66.9 | 179.7 | 0 | 0 | 0 | 109.8 | V30 H37 V40 I41 L83 N86 H90 | V30-L88 HydrophobicContact CG1-CB 4.02Å; V30-L88 HydrophobicContact CG1-CD1 4.24Å; H37-L88 HydrophobicContact CB-CD2 3.67Å; H37-L88 VanDerWaalsContact ND1-CD2 3.32Å; H37-L88 WeakPolarHBondContact ND1-CD2 3.29Å; V40-L88 HydrophobicContact CB-CD1 4.17Å; V40-L88 HydrophobicContact CG1-CD1 3.73Å; I41-L88 HydrophobicContact CD1-CD1 4.14Å; L83-L88 HydrophobicContact CD2-CB 4.28Å; L83-L88 HydrophobicContact CD2-CD1 3.69Å; L83-L88 PolarHBondContact O-N 2.88Å; N86-L88 HydrophobicContact CB-CD1 4.49Å; N86-L88 HydrophobicContact CB-CG 4.13Å; N86-L88 PolarHBondContact O-N 3.44Å; L88-H90 PolarHBondContact O-N 3.18Å; L88-H90 PolarHBondContact O-ND1 2.56Å | ||
| 89 | Q | 98 | Very high | 97.5 | Very high | 133 Ų | 133 | 62.6 Ų | 62.6 | 62% | 0.621 | 31% | 0.313 | S | S | * | . | trans | -63.9 | 121.2 | 173.1 | -174.5 | -174.8 | 7 | 0 | 0 | 109.3 | N31 E87 | N31-Q89 HydrophobicContact CB-CB 4.28Å; N31-Q89 PolarHBondContact N-O 3.43Å; N31-Q89 PolarHBondContact ND2-OE1 3.18Å; E87-Q89 PolarHBondContact O-N 2.89Å | ||
| 90 | H | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 26% | 0.255 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.8 | -178.6 | 64.7 | -81.4 | 0 | 0 | 0 | 112.1 | R29 V30 L83 L88 | R29-H90 CarbonylContact O-C 3.22Å; R29-H90 WeakPolarHBondContact O-CA 3.38Å; R29-H90 WeakPolarHBondContact O-CB 3.26Å; V30-H90 HydrophobicContact CB-CB 4.41Å; V30-H90 HydrophobicContact CG1-CB 4.47Å; V30-H90 HydrophobicContact CG2-CB 3.88Å; L83-H90 HydrophobicContact CD1-CB 4.13Å; L88-H90 PolarHBondContact O-N 3.18Å; L88-H90 PolarHBondContact O-ND1 2.56Å |
| 91 | E | 97.4 | Very high | 97.5 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.1 | 168.9 | 65.8 | 177.8 | -179.1 | 0 | 0 | 110.6 | F28 R29 L93 | F28-E91 WeakPolarHBondContact CA-O 3.41Å; R29-E91 HydrophobicContact CB-CG 3.73Å; R29-E91 WeakPolarHBondContact CD-OE1 3.2Å; R29-E91 HydrophobicContact CG-CG 4.27Å; R29-E91 PolarHBondContact N-O 3.49Å; R29-E91 IonicContact NH1-OE1 2.71Å; R29-E91 PolarHBondContact O-N 2.92Å; E91-L93 HydrophobicContact CG-CD2 4.17Å; E91-L93 VanDerWaalsContact OE1-CD2 3.22Å; E91-L93 WeakPolarHBondContact OE1-CD2 3.39Å |
| 92 | V | 98.2 | Very high | 97.4 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 100.9 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | K26 F28 I94 | K26-V92 HydrophobicContact CB-CG1 4.48Å; K26-V92 HydrophobicContact CD-CG1 4.02Å; F28-V92 HydrophobicContact CD1-CG2 3.98Å; F28-V92 HydrophobicContact CE1-CG2 3.67Å; F28-V92 HydrophobicContact CZ-CG2 4.5Å; V92-I94 WeakPolarHBondContact CG1-O 3.48Å |
| 93 | L | 97.8 | Very high | 97.3 | Very high | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | -45.1 | 177.5 | -69.1 | 176.3 | 0 | 0 | 0 | 111 | V27 R29 D68 E91 | V27-L93 HydrophobicContact CB-CB 4.45Å; V27-L93 HydrophobicContact CG1-CB 4.4Å; V27-L93 HydrophobicContact CG1-CD1 4.16Å; V27-L93 PolarHBondContact O-N 3.1Å; R29-L93 HydrophobicContact CB-CD1 3.75Å; R29-L93 HydrophobicContact CB-CD2 4.14Å; R29-L93 HydrophobicContact CB-CG 3.76Å; D68-L93 HydrophobicContact CB-CD1 4.39Å; E91-L93 HydrophobicContact CG-CD2 4.17Å; E91-L93 VanDerWaalsContact OE1-CD2 3.22Å; E91-L93 WeakPolarHBondContact OE1-CD2 3.39Å |
| 94 | I | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 115.1 | -179.4 | -60.4 | 174.2 | 0 | 0 | 0 | 108 | K26 V27 W53 V92 L97 V100 | K26-I94 CarbonylContact C-O 3.59Å; K26-I94 WeakPolarHBondContact CA-O 3.46Å; K26-I94 WeakPolarHBondContact CB-O 3.41Å; V27-I94 HydrophobicContact CB-CB 3.99Å; V27-I94 HydrophobicContact CB-CD1 4.29Å; V27-I94 HydrophobicContact CB-CG1 4.29Å; V27-I94 HydrophobicContact CG2-CB 4.1Å; V27-I94 HydrophobicContact CG2-CD1 3.97Å; V27-I94 HydrophobicContact CG2-CG1 4.4Å; V27-I94 PolarHBondContact N-O 2.72Å; V27-I94 PolarHBondContact O-N 2.76Å; W53-I94 HydrophobicContact CH2-CD1 4.16Å; W53-I94 HydrophobicContact CZ3-CD1 4.21Å; V92-I94 WeakPolarHBondContact CG1-O 3.48Å; I94-L97 HydrophobicContact CD1-CD1 3.98Å; I94-L97 HydrophobicContact CG2-CB 4.26Å; I94-L97 HydrophobicContact CG2-CD1 4.05Å; I94-V100 HydrophobicContact CB-CG2 4.48Å; I94-V100 HydrophobicContact CD1-CG1 4.28Å; I94-V100 HydrophobicContact CD1-CG2 4.31Å; I94-V100 HydrophobicContact CG1-CG2 4.25Å; I94-V100 HydrophobicContact CG2-CB 4.33Å; I94-V100 HydrophobicContact CG2-CG2 3.54Å |
| 95 | S | 97.5 | Very high | 97.3 | Very high | 87 Ų | 87 | 62 Ų | 62 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -86.5 | -20 | -176.4 | 57.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 96 | N | 97.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | trans | -150.7 | 106.9 | 170.2 | -172.1 | -15 | 0 | 0 | 0 | 108.9 | E23 G24 E25 R98 N99 | E23-N96 PolarHBondContact OE1-ND2 3.15Å; G24-N96 PolarHBondContact N-OD1 3.34Å; G24-N96 VanDerWaalsContact N-OD1 3.14Å; E25-N96 WeakPolarHBondContact O-CA 3.26Å; N96-R98 VanDerWaalsContact C-N 3.31Å; N96-R98 PolarHBondContact O-N 2.89Å; N96-R98 WeakPolarHBondContact OD1-CB 3.23Å; N96-R98 PolarHBondContact OD1-N 2.78Å; N96-N99 PolarHBondContact O-N 2.92Å | ||
| 97 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -30.9 | -172.1 | -172.7 | 58.7 | 0 | 0 | 0 | 113.2 | F22 E25 V27 W53 R70 I94 N99 V100 V101 F232 | F22-L97 HydrophobicContact CB-CB 4.14Å; F22-L97 HydrophobicContact CB-CD2 4.4Å; F22-L97 HydrophobicContact CB-CG 4.22Å; F22-L97 HydrophobicContact CD1-CD2 4.32Å; F22-L97 HydrophobicContact CG-CD2 4.47Å; E25-L97 HydrophobicContact CB-CB 4.01Å; E25-L97 HydrophobicContact CB-CD2 4.31Å; E25-L97 PolarHBondContact O-N 3.16Å; V27-L97 HydrophobicContact CG2-CD1 4.26Å; W53-L97 HydrophobicContact CH2-CD1 4.18Å; W53-L97 HydrophobicContact CZ2-CD1 4.44Å; R70-L97 HydrophobicContact CG-CD2 3.84Å; I94-L97 HydrophobicContact CD1-CD1 3.98Å; I94-L97 HydrophobicContact CG2-CB 4.26Å; I94-L97 HydrophobicContact CG2-CD1 4.05Å; L97-N99 VanDerWaalsContact C-N 3.29Å; L97-N99 PolarHBondContact O-N 2.84Å; L97-V100 PolarHBondContact O-N 2.87Å; L97-V100 VanDerWaalsContact O-N 3.17Å; L97-V101 HydrophobicContact CD1-CG2 4.42Å; L97-V101 HydrophobicContact CG-CG2 4.26Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 2.6Å; L97-F232 HydrophobicContact CD1-CE2 4.45Å; L97-F232 HydrophobicContact CD1-CZ 3.8Å; L97-F232 HydrophobicContact CD2-CD2 4.27Å; L97-F232 HydrophobicContact CD2-CE2 3.38Å; L97-F232 HydrophobicContact CD2-CZ 3.56Å; L97-F232 HydrophobicContact CG-CE2 3.98Å; L97-F232 HydrophobicContact CG-CZ 3.82Å |
| 98 | R | 96.4 | Very high | 96.4 | Very high | 64 Ų | 64 | 58.8 Ų | 58.8 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -51 | -49.8 | 172.5 | 172.8 | 176.9 | -178.3 | -148.4 | -5.3 | 112 | G19 F22 E23 N96 V100 V101 E102 | G19-R98 WeakPolarHBondContact O-CB 3.19Å; G19-R98 WeakPolarHBondContact O-CG 3.36Å; F22-R98 HydrophobicContact CB-CB 4.39Å; F22-R98 PolarHBondContact O-N 3.32Å; E23-R98 WeakPolarHBondContact OE2-CD 3.28Å; E23-R98 IonicContact OE2-CZ 2.63Å; E23-R98 IonicContact OE2-NE 3.79Å; E23-R98 IonicContact OE2-NH1 3.8Å; E23-R98 PolarHBondContact OE2-NH1 2.81Å; N96-R98 VanDerWaalsContact C-N 3.31Å; N96-R98 PolarHBondContact O-N 2.89Å; N96-R98 WeakPolarHBondContact OD1-CB 3.23Å; N96-R98 PolarHBondContact OD1-N 2.78Å; R98-V100 PolarHBondContact O-N 2.79Å; R98-V101 PolarHBondContact O-N 2.79Å; R98-E102 HydrophobicContact CG-CG 4.3Å; R98-E102 IonicContact CZ-OE1 3.86Å; R98-E102 IonicContact NE-OE1 3.72Å; R98-E102 PolarHBondContact NE-OE1 2.78Å; R98-E102 IonicContact NE-OE2 2.81Å; R98-E102 IonicContact NH2-OE1 3.5Å; R98-E102 PolarHBondContact NH2-OE1 3.4Å; R98-E102 VanDerWaalsContact NH2-OE1 3.09Å; R98-E102 WeakPolarHBondContact O-CG 3.44Å; R98-E102 PolarHBondContact O-N 2.81Å |
| 99 | N | 96.9 | Very high | 95.9 | Very high | 88 Ų | 88 | 61 Ų | 61 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | -176.3 | -68.1 | -15 | 0 | 0 | 0 | 111.6 | N96 L97 A103 | N96-N99 PolarHBondContact O-N 2.92Å; L97-N99 VanDerWaalsContact C-N 3.29Å; L97-N99 PolarHBondContact O-N 2.84Å; N99-A103 WeakPolarHBondContact O-CB 3.46Å; N99-A103 PolarHBondContact O-N 2.93Å |
| 100 | V | 97.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 66.6 Ų | 66.6 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 179.6 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | I94 L97 R98 A103 Q104 Y385 A388 | I94-V100 HydrophobicContact CB-CG2 4.48Å; I94-V100 HydrophobicContact CD1-CG1 4.28Å; I94-V100 HydrophobicContact CD1-CG2 4.31Å; I94-V100 HydrophobicContact CG1-CG2 4.25Å; I94-V100 HydrophobicContact CG2-CB 4.33Å; I94-V100 HydrophobicContact CG2-CG2 3.54Å; L97-V100 PolarHBondContact O-N 2.87Å; L97-V100 VanDerWaalsContact O-N 3.17Å; R98-V100 PolarHBondContact O-N 2.79Å; V100-A103 PolarHBondContact O-N 3.17Å; V100-Q104 PolarHBondContact O-N 3.49Å; V100-Y385 HydrophobicContact CG1-CD1 3.95Å; V100-A388 HydrophobicContact CG1-CB 3.75Å |
| 101 | V | 96.1 | Very high | 94 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | F22 L97 R98 Q104 F232 | F22-V101 HydrophobicContact CD2-CB 4.48Å; F22-V101 HydrophobicContact CD2-CG1 4.37Å; F22-V101 HydrophobicContact CD2-CG2 4.08Å; F22-V101 HydrophobicContact CE2-CG1 4.5Å; F22-V101 HydrophobicContact CE2-CG2 4.48Å; L97-V101 HydrophobicContact CD1-CG2 4.42Å; L97-V101 HydrophobicContact CG-CG2 4.26Å; L97-V101 WeakPolarHBondContact O-CG2 3.42Å; L97-V101 PolarHBondContact O-N 2.6Å; R98-V101 PolarHBondContact O-N 2.79Å; V101-Q104 VanDerWaalsContact O-CB 3.26Å; V101-Q104 WeakPolarHBondContact O-CB 3.36Å; V101-Q104 PolarHBondContact O-N 2.87Å; V101-F232 HydrophobicContact CG2-CE2 4.21Å; V101-F232 HydrophobicContact CG2-CZ 3.75Å |
| 102 | E | 95.5 | Very high | 93.2 | Very high | 85 Ų | 85 | 69 Ų | 69 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 175.6 | -70.9 | 179.5 | 176.4 | 0 | 0 | 111.4 | R98 Q104 F105 | R98-E102 HydrophobicContact CG-CG 4.3Å; R98-E102 IonicContact CZ-OE1 3.86Å; R98-E102 IonicContact NE-OE1 3.72Å; R98-E102 PolarHBondContact NE-OE1 2.78Å; R98-E102 IonicContact NE-OE2 2.81Å; R98-E102 IonicContact NH2-OE1 3.5Å; R98-E102 PolarHBondContact NH2-OE1 3.4Å; R98-E102 VanDerWaalsContact NH2-OE1 3.09Å; R98-E102 WeakPolarHBondContact O-CG 3.44Å; R98-E102 PolarHBondContact O-N 2.81Å; E102-Q104 PolarHBondContact O-N 2.03Å; E102-F105 PolarHBondContact O-N 3.15Å |
| 103 | A | 96.8 | Very high | 93 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 46% | 0.455 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.8 | -8.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N99 V100 F105 | N99-A103 WeakPolarHBondContact O-CB 3.46Å; N99-A103 PolarHBondContact O-N 2.93Å; V100-A103 PolarHBondContact O-N 3.17Å; A103-F105 PolarHBondContact O-N 2.87Å |
| 104 | Q | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -36.2 | 174.1 | -173.8 | 166.5 | 33.9 | 0 | 0 | 111.2 | V100 V101 E102 D106 Y119 W180 R231 F387 L389 E391 | V100-Q104 PolarHBondContact O-N 3.49Å; V101-Q104 VanDerWaalsContact O-CB 3.26Å; V101-Q104 WeakPolarHBondContact O-CB 3.36Å; V101-Q104 PolarHBondContact O-N 2.87Å; E102-Q104 PolarHBondContact O-N 2.03Å; Q104-D106 VanDerWaalsContact C-N 3.31Å; Q104-D106 PolarHBondContact O-N 2.93Å; Q104-D106 VanDerWaalsContact O-N 3.16Å; Q104-Y119 HydrophobicContact CG-CD2 3.93Å; Q104-Y119 HydrophobicContact CG-CE2 3.59Å; Q104-W180 VanDerWaalsContact OE1-CZ3 3.32Å; Q104-R231 VanDerWaalsContact NE2-NH2 3.14Å; Q104-F387 PolarHBondContact NE2-O 3.11Å; Q104-L389 WeakPolarHBondContact CG-O 3.37Å; Q104-L389 PolarHBondContact NE2-O 3.21Å; Q104-L389 VanDerWaalsContact NE2-O 3.09Å; Q104-E391 WeakPolarHBondContact O-CG 3.35Å; Q104-E391 PolarHBondContact O-N 2.99Å |
| 105 | F | 96.4 | Very high | 93 | Very high | 73 Ų | 73 | 70 Ų | 70 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | trans | -90.1 | 57.4 | -176.9 | -56 | -77.5 | 0 | 0 | 0 | 112.1 | E102 A103 W180 W227 E391 | E102-F105 PolarHBondContact O-N 3.15Å; A103-F105 PolarHBondContact O-N 2.87Å; F105-W180 AromaticContact CE1-CZ3 3.96Å; F105-W180 HydrophobicContact CE1-CZ3 3.96Å; F105-W180 AromaticContact CZ-CH2 3.95Å; F105-W180 HydrophobicContact CZ-CH2 3.95Å; F105-W180 AromaticContact CZ-CZ3 3.6Å; F105-W180 HydrophobicContact CZ-CZ3 3.6Å; F105-W227 AromaticContact CE1-CH2 3.82Å; F105-W227 HydrophobicContact CE1-CH2 3.82Å; F105-W227 AromaticContact CE1-CZ3 3.82Å; F105-W227 HydrophobicContact CE1-CZ3 3.82Å; F105-W227 HydrophobicContact CZ-CH2 4.4Å; F105-W227 HydrophobicContact CZ-CZ3 4.07Å; F105-E391 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 106 | D | 96.1 | Very high | 93 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | trans | -94.6 | 7.7 | -175.2 | 73.5 | -17 | 0 | 0 | 0 | 114.5 | Q104 R108 E391 S392 | Q104-D106 VanDerWaalsContact C-N 3.31Å; Q104-D106 PolarHBondContact O-N 2.93Å; Q104-D106 VanDerWaalsContact O-N 3.16Å; D106-R108 PolarHBondContact O-N 3.38Å; D106-E391 WeakPolarHBondContact OD1-CB 3.23Å; D106-E391 PolarHBondContact OD1-N 2.8Å; D106-E391 VanDerWaalsContact OD1-N 3.13Å; D106-S392 WeakPolarHBondContact OD1-CB 3.21Å; D106-S392 PolarHBondContact OD1-N 2.9Å; D106-S392 PolarHBondContact OD1-OG 2.82Å; D106-S392 WeakPolarHBondContact OD2-CB 3.47Å; D106-S392 PolarHBondContact OD2-OG 2.88Å | ||
| 107 | S | 91.2 | Very high | 93 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | trans | -63.7 | 127.9 | -178.1 | -171 | 0 | 0 | 0 | 0 | 112.3 | V109 V117 E391 | S107-V109 PolarHBondContact O-N 3.49Å; S107-V109 PolarHBondContact OG-N 3.19Å; S107-V117 PolarHBondContact OG-O 2.89Å; S107-V117 VanDerWaalsContact OG-O 3.12Å; S107-E391 WeakPolarHBondContact CB-OE2 3.24Å; S107-E391 PolarHBondContact N-OE2 3.39Å; S107-E391 VanDerWaalsContact N-OE2 3.11Å | ||
| 108 | R | 87.4 | Confident | 93 | Very high | 239 Ų | 239 | 70.4 Ų | 70.4 | 90% | 0.902 | 36% | 0.363 | S | S | * | . | trans | -79.4 | -0.4 | 175.9 | -60.5 | -177.4 | -176.9 | 179.2 | 1 | 113.6 | D106 R110 | D106-R108 PolarHBondContact O-N 3.38Å; R108-R110 PolarHBondContact O-N 3.31Å | ||
| 109 | V | 85.9 | Confident | 93.1 | Very high | 53 Ų | 53 | 67.9 Ų | 67.9 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | trans | -69 | 115.3 | -178.5 | 171.4 | 0 | 0 | 0 | 0 | 109.7 | S107 A111 V117 K118 | S107-V109 PolarHBondContact O-N 3.49Å; S107-V109 PolarHBondContact OG-N 3.19Å; V109-A111 VanDerWaalsContact C-N 3.31Å; V109-A111 HydrophobicContact CG1-CB 4.06Å; V109-A111 PolarHBondContact O-N 3.02Å; V109-V117 HydrophobicContact CG2-CG2 3.57Å; V109-K118 VanDerWaalsContact O-CE 3.26Å; V109-K118 WeakPolarHBondContact O-CE 3.4Å; V109-K118 PolarHBondContact O-NZ 3.15Å | ||
| 110 | R | 77.4 | Confident | 93.2 | Very high | 250 Ų | 250 | 64 Ų | 64 | 94% | 0.943 | 33% | 0.332 | S | S | * | . | trans | -81.5 | -4.3 | -176.8 | -62.8 | -172.7 | 179.6 | -175 | -0.8 | 114.7 | R108 | R108-R110 PolarHBondContact O-N 3.31Š| ||
| 111 | A | 78.9 | Confident | 93.3 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | trans | -75.2 | 141.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V109 K118 | V109-A111 VanDerWaalsContact C-N 3.31Å; V109-A111 HydrophobicContact CG1-CB 4.06Å; V109-A111 PolarHBondContact O-N 3.02Å; A111-K118 PolarHBondContact O-NZ 3.35Å | ||
| 112 | T | 82.1 | Confident | 93.4 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 88% | 0.877 | 35% | 0.345 | S | S | * | . | trans | -85 | 153.7 | 167.1 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 113 | G | 92.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 91.1 | -158.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 114 | H | 97.7 | Very high | 93.7 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | trans | -61.7 | 139.1 | -176.3 | -179 | -85 | 0 | 0 | 0 | 112.4 | Y116 T124 W128 Q187 | H114-Y116 AromaticContact CE1-CD1 3.61Å; H114-Y116 AromaticContact CE1-CE1 3.48Å; H114-Y116 VanDerWaalsContact CE1-CE1 3.48Å; H114-Y116 WeakPolarHBondContact CE1-CE1 3.36Å; H114-Y116 AromaticContact CE1-CE2 3.98Å; H114-Y116 AromaticContact CE1-CG 3.88Å; H114-Y116 AromaticContact CE1-CZ 3.71Å; H114-T124 VanDerWaalsContact CA-CG2 3.42Å; H114-T124 HydrophobicContact CB-CG2 3.6Å; H114-W128 AromaticContact CD2-CD1 3.83Å; H114-W128 AromaticContact CD2-CG 3.66Å; H114-W128 AromaticContact CE1-CD1 3.55Å; H114-W128 AromaticContact CE1-NE1 3.78Å; H114-W128 AromaticContact CG-CD1 3.98Å; H114-W128 AromaticContact ND1-CD1 3.83Å; H114-W128 AromaticContact NE2-CD1 3.56Å; H114-W128 AromaticContact NE2-CD2 3.96Å; H114-W128 AromaticContact NE2-CG 3.56Å; H114-W128 AromaticContact NE2-NE1 3.93Å; H114-Q187 PolarHBondContact NE2-OE1 3.31Å | ||
| 115 | S | 98.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 67.6 Ų | 67.6 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | trans | -146.8 | 136.2 | 167.5 | -172 | 0 | 0 | 0 | 0 | 111.8 | V117 K118 N120 | S115-V117 PolarHBondContact O-N 3.47Å; S115-V117 PolarHBondContact OG-N 3.35Å; S115-K118 PolarHBondContact O-N 2.95Å; S115-N120 PolarHBondContact N-OD1 2.91Å; S115-N120 VanDerWaalsContact N-OD1 3.1Å; S115-N120 PolarHBondContact O-ND2 3.33Å | ||
| 116 | Y | 98.3 | Very high | 93.8 | Very high | 55 Ų | 55 | 67 Ų | 67 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -3.8 | 174.8 | -60 | -77.7 | 0 | 0 | 0 | 114.3 | H114 W128 Q187 R191 I394 | H114-Y116 AromaticContact CE1-CD1 3.61Å; H114-Y116 AromaticContact CE1-CE1 3.48Å; H114-Y116 VanDerWaalsContact CE1-CE1 3.48Å; H114-Y116 WeakPolarHBondContact CE1-CE1 3.36Å; H114-Y116 AromaticContact CE1-CE2 3.98Å; H114-Y116 AromaticContact CE1-CG 3.88Å; H114-Y116 AromaticContact CE1-CZ 3.71Å; Y116-W128 HydrophobicContact CE1-CZ2 4.15Å; Y116-W128 AromaticContact CE1-NE1 3.6Å; Y116-W128 AromaticContact CZ-NE1 3.53Å; Y116-W128 PolarHBondContact OH-NE1 3.17Å; Y116-Q187 HydrophobicContact CD1-CB 4.1Å; Y116-Q187 HydrophobicContact CE1-CB 4.27Å; Y116-Q187 VanDerWaalsContact CE1-O 3.27Å; Y116-Q187 WeakPolarHBondContact CE1-O 3.47Å; Y116-R191 HydrophobicContact CD1-CB 3.75Å; Y116-R191 HydrophobicContact CD1-CG 4.17Å; Y116-R191 HydrophobicContact CD2-CB 4.32Å; Y116-R191 VanDerWaalsContact CD2-CD 3.47Å; Y116-R191 HydrophobicContact CD2-CG 3.85Å; Y116-R191 HydrophobicContact CE1-CB 3.51Å; Y116-R191 HydrophobicContact CE1-CG 4.09Å; Y116-R191 HydrophobicContact CE2-CB 4.09Å; Y116-R191 HydrophobicContact CE2-CG 3.72Å; Y116-R191 HydrophobicContact CG-CB 4.15Å; Y116-R191 VanDerWaalsContact CG-CD 3.47Å; Y116-R191 HydrophobicContact CG-CG 4.06Å; Y116-I394 VanDerWaalsContact O-CG2 3.31Å; Y116-I394 WeakPolarHBondContact O-CG2 3.46Å |
| 117 | V | 97.5 | Very high | 94 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 29.5 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | S107 V109 S115 W188 R395 | S107-V117 PolarHBondContact OG-O 2.89Å; S107-V117 VanDerWaalsContact OG-O 3.12Å; V109-V117 HydrophobicContact CG2-CG2 3.57Å; S115-V117 PolarHBondContact O-N 3.47Å; S115-V117 PolarHBondContact OG-N 3.35Å; V117-W188 HydrophobicContact CG1-CH2 4.47Å; V117-W188 HydrophobicContact CG1-CZ3 3.75Å; V117-R395 HydrophobicContact CG1-CB 4.12Å |
| 118 | K | 98.3 | Very high | 94.3 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 19% | 0.191 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -134.2 | 159.5 | 168.7 | -66.8 | -172.6 | -177.9 | -176.8 | 0 | 109.3 | V109 A111 S115 N120 E391 | V109-K118 VanDerWaalsContact O-CE 3.26Å; V109-K118 WeakPolarHBondContact O-CE 3.4Å; V109-K118 PolarHBondContact O-NZ 3.15Å; A111-K118 PolarHBondContact O-NZ 3.35Å; S115-K118 PolarHBondContact O-N 2.95Å; K118-N120 PolarHBondContact O-ND2 2.84Å; K118-E391 WeakPolarHBondContact CA-OE1 3.29Å; K118-E391 VanDerWaalsContact CB-OE1 3.26Å; K118-E391 WeakPolarHBondContact CB-OE1 3.39Å |
| 119 | Y | 98.6 | Very high | 94.9 | Very high | 11 Ų | 11 | 54 Ų | 54 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 125.8 | 163.2 | -63.3 | -62.9 | 0 | 0 | 0 | 108.9 | Q104 W180 A184 W227 L389 E391 I394 | Q104-Y119 HydrophobicContact CG-CD2 3.93Å; Q104-Y119 HydrophobicContact CG-CE2 3.59Å; Y119-W180 HydrophobicContact CD1-CB 3.56Å; Y119-W180 HydrophobicContact CD1-CE3 4.38Å; Y119-W180 HydrophobicContact CD1-CG 4.48Å; Y119-W180 AromaticContact CD2-CE3 3.95Å; Y119-W180 HydrophobicContact CD2-CE3 3.95Å; Y119-W180 HydrophobicContact CE1-CB 3.63Å; Y119-W180 WeakPolarHBondContact CE1-O 3.49Å; Y119-W180 HydrophobicContact CG-CB 4.19Å; Y119-W180 AromaticContact CG-CE3 3.83Å; Y119-W180 HydrophobicContact CG-CE3 3.83Å; Y119-A184 HydrophobicContact CD1-CB 4.41Å; Y119-A184 HydrophobicContact CE1-CB 4.32Å; Y119-W227 VanDerWaalsContact O-CH2 3.27Å; Y119-W227 WeakPolarHBondContact O-CH2 3.2Å; Y119-L389 WeakPolarHBondContact CE2-O 3.41Å; Y119-L389 VanDerWaalsContact CZ-O 3.3Å; Y119-L389 PolarHBondContact OH-O 3.15Å; Y119-E391 HydrophobicContact CD2-CG 3.56Å; Y119-E391 HydrophobicContact CE2-CG 3.84Å; Y119-E391 HydrophobicContact CG-CG 4.4Å; Y119-E391 PolarHBondContact N-OE1 2.84Å; Y119-I394 HydrophobicContact CD1-CD1 3.95Å; Y119-I394 HydrophobicContact CD2-CD1 4.25Å; Y119-I394 HydrophobicContact CE1-CD1 3.76Å; Y119-I394 HydrophobicContact CE1-CG1 4Å; Y119-I394 HydrophobicContact CE2-CD1 4.05Å; Y119-I394 HydrophobicContact CE2-CG1 4.45Å; Y119-I394 HydrophobicContact CG-CD1 4.21Å |
| 120 | N | 98.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.032 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 131.9 | -174.8 | -62.2 | -63.8 | 0 | 0 | 0 | 109.8 | S115 K118 T124 I125 Q187 Y223 | S115-N120 PolarHBondContact N-OD1 2.91Å; S115-N120 VanDerWaalsContact N-OD1 3.1Å; S115-N120 PolarHBondContact O-ND2 3.33Å; K118-N120 PolarHBondContact O-ND2 2.84Å; N120-T124 HydrophobicContact CB-CG2 4.03Å; N120-I125 HydrophobicContact CB-CD1 4.24Å; N120-I125 HydrophobicContact CB-CG1 3.69Å; N120-I125 WeakPolarHBondContact O-CD1 3.25Å; N120-Q187 PolarHBondContact ND2-OE1 3.02Å; N120-Y223 WeakPolarHBondContact O-CE1 2.99Å; N120-Y223 PolarHBondContact O-OH 2.99Å |
| 121 | K | 98.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 49.5 Ų | 49.5 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 160 | 169.5 | -62.7 | 179.8 | 177.5 | -178.4 | 0 | 111.2 | E123 T124 I125 W227 | K121-E123 VanDerWaalsContact CB-CD 3.47Å; K121-E123 WeakPolarHBondContact CB-OE1 3.36Å; K121-E123 VanDerWaalsContact CB-OE2 3.3Å; K121-E123 WeakPolarHBondContact CB-OE2 3Å; K121-E123 WeakPolarHBondContact CD-OE1 3.45Å; K121-E123 PolarHBondContact O-N 3.49Å; K121-T124 WeakPolarHBondContact O-CB 3.35Å; K121-T124 PolarHBondContact O-N 3.01Å; K121-I125 PolarHBondContact O-N 3.26Å; K121-I125 VanDerWaalsContact O-N 3.11Å; K121-W227 HydrophobicContact CB-CD2 4.48Å; K121-W227 HydrophobicContact CD-CE3 4.34Å; K121-W227 HydrophobicContact CG-CD2 3.68Å; K121-W227 HydrophobicContact CG-CE3 3.58Å; K121-W227 HydrophobicContact CG-CG 4.24Å; K121-W227 HydrophobicContact CG-CH2 4.12Å; K121-W227 HydrophobicContact CG-CZ2 4.22Å; K121-W227 HydrophobicContact CG-CZ3 3.81Å |
| 122 | W | 98.8 | Very high | 97.4 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 4% | 0.038 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.1 | -47.9 | -176.9 | 170.8 | -113.7 | 0 | 0 | 0 | 113 | T124 I125 E126 Y155 V217 I220 Y223 I224 | W122-T124 PolarHBondContact O-N 3.5Å; W122-T124 VanDerWaalsContact O-N 3.13Å; W122-I125 HydrophobicContact CE3-CB 4.24Å; W122-I125 HydrophobicContact CE3-CG2 4.44Å; W122-I125 HydrophobicContact CZ3-CB 4.49Å; W122-I125 HydrophobicContact CZ3-CG2 4.22Å; W122-I125 CarbonylContact O-C 3.44Å; W122-I125 WeakPolarHBondContact O-CA 3.32Å; W122-I125 PolarHBondContact O-N 2.66Å; W122-E126 HydrophobicContact CD2-CB 4.4Å; W122-E126 HydrophobicContact CZ2-CB 4.01Å; W122-E126 WeakPolarHBondContact O-CB 3.43Å; W122-E126 PolarHBondContact O-N 3.11Å; W122-Y155 AromaticContact CH2-CD2 3.72Å; W122-Y155 HydrophobicContact CH2-CD2 3.72Å; W122-Y155 HydrophobicContact CH2-CE2 4.2Å; W122-Y155 AromaticContact CZ2-CD2 3.83Å; W122-Y155 HydrophobicContact CZ2-CD2 3.83Å; W122-Y155 AromaticContact CZ2-CE2 3.82Å; W122-Y155 HydrophobicContact CZ2-CE2 3.82Å; W122-V217 HydrophobicContact CE3-CB 4.31Å; W122-V217 HydrophobicContact CE3-CG2 4.19Å; W122-V217 HydrophobicContact CZ3-CB 3.92Å; W122-V217 HydrophobicContact CZ3-CG2 4.04Å; W122-I220 HydrophobicContact CD2-CG1 4.43Å; W122-I220 HydrophobicContact CD2-CG2 3.42Å; W122-I220 VanDerWaalsContact CD2-CG2 3.42Å; W122-I220 HydrophobicContact CE3-CG1 4.18Å; W122-I220 HydrophobicContact CE3-CG2 3.94Å; W122-I220 HydrophobicContact CG-CG2 3.69Å; W122-I220 HydrophobicContact CH2-CD1 3.38Å; W122-I220 HydrophobicContact CH2-CG1 3.71Å; W122-I220 HydrophobicContact CH2-CG2 4.28Å; W122-I220 HydrophobicContact CZ2-CD1 3.54Å; W122-I220 HydrophobicContact CZ2-CG1 4.02Å; W122-I220 HydrophobicContact CZ2-CG2 3.84Å; W122-I220 HydrophobicContact CZ3-CD1 4.04Å; W122-I220 HydrophobicContact CZ3-CG1 3.83Å; W122-I220 HydrophobicContact CZ3-CG2 4.35Å; W122-Y223 HydrophobicContact CB-CD1 4.33Å; W122-I224 HydrophobicContact CB-CD1 3.94Å; W122-I224 HydrophobicContact CB-CG1 3.51Å; W122-I224 HydrophobicContact CG-CD1 3.88Å; W122-I224 HydrophobicContact CG-CG1 4.01Å |
| 123 | E | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 40.6 Ų | 40.6 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -31.6 | -179.1 | 64.9 | -82.6 | -167.3 | 0 | 0 | 112.4 | K121 A127 | K121-E123 VanDerWaalsContact CB-CD 3.47Å; K121-E123 WeakPolarHBondContact CB-OE1 3.36Å; K121-E123 VanDerWaalsContact CB-OE2 3.3Å; K121-E123 WeakPolarHBondContact CB-OE2 3Å; K121-E123 WeakPolarHBondContact CD-OE1 3.45Å; K121-E123 PolarHBondContact O-N 3.49Å; E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 2.86Å; E123-A127 VanDerWaalsContact O-N 3.11Å |
| 124 | T | 98.7 | Very high | 98.5 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74 | -39.8 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | H114 N120 K121 W122 W128 | H114-T124 VanDerWaalsContact CA-CG2 3.42Å; H114-T124 HydrophobicContact CB-CG2 3.6Å; N120-T124 HydrophobicContact CB-CG2 4.03Å; K121-T124 WeakPolarHBondContact O-CB 3.35Å; K121-T124 PolarHBondContact O-N 3.01Å; W122-T124 PolarHBondContact O-N 3.5Å; W122-T124 VanDerWaalsContact O-N 3.13Å; T124-W128 VanDerWaalsContact O-CB 3.23Å; T124-W128 WeakPolarHBondContact O-CB 3.29Å; T124-W128 PolarHBondContact O-N 3.42Å |
| 125 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.5 | -43.3 | 176.4 | -60.4 | 174.8 | 0 | 0 | 0 | 110.3 | N120 K121 W122 W128 T129 P216 V217 Y223 | N120-I125 HydrophobicContact CB-CD1 4.24Å; N120-I125 HydrophobicContact CB-CG1 3.69Å; N120-I125 WeakPolarHBondContact O-CD1 3.25Å; K121-I125 PolarHBondContact O-N 3.26Å; K121-I125 VanDerWaalsContact O-N 3.11Å; W122-I125 HydrophobicContact CE3-CB 4.24Å; W122-I125 HydrophobicContact CE3-CG2 4.44Å; W122-I125 HydrophobicContact CZ3-CB 4.49Å; W122-I125 HydrophobicContact CZ3-CG2 4.22Å; W122-I125 CarbonylContact O-C 3.44Å; W122-I125 WeakPolarHBondContact O-CA 3.32Å; W122-I125 PolarHBondContact O-N 2.66Å; I125-W128 HydrophobicContact CG2-CE3 4.1Å; I125-W128 HydrophobicContact CG2-CZ3 4.48Å; I125-W128 WeakPolarHBondContact O-CB 3.48Å; I125-W128 PolarHBondContact O-N 3.43Å; I125-T129 HydrophobicContact CG2-CG2 4.48Å; I125-T129 VanDerWaalsContact O-CG2 3.25Å; I125-T129 WeakPolarHBondContact O-CG2 3.43Å; I125-T129 PolarHBondContact O-N 2.98Å; I125-P216 HydrophobicContact CG2-CB 4.31Å; I125-P216 HydrophobicContact CG2-CG 4.4Å; I125-V217 HydrophobicContact CD1-CG2 4.03Å; I125-V217 HydrophobicContact CG2-CG2 4.44Å; I125-Y223 HydrophobicContact CD1-CE1 3.86Å |
| 126 | E | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 47.2 Ų | 47.2 | 28% | 0.28 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.4 | -52.3 | 176.3 | 171 | 169 | -132.9 | 0 | 0 | 111.1 | W122 W128 T129 Q130 R142 Y155 | W122-E126 HydrophobicContact CD2-CB 4.4Å; W122-E126 HydrophobicContact CZ2-CB 4.01Å; W122-E126 WeakPolarHBondContact O-CB 3.43Å; W122-E126 PolarHBondContact O-N 3.11Å; E126-W128 VanDerWaalsContact C-N 3.31Å; E126-W128 PolarHBondContact O-N 2.74Å; E126-T129 PolarHBondContact O-N 3.14Å; E126-T129 PolarHBondContact O-OG1 3.3Å; E126-Q130 PolarHBondContact O-N 3.32Å; E126-R142 PolarHBondContact O-NH1 2.79Å; E126-Y155 HydrophobicContact CB-CE2 4.29Å; E126-Y155 HydrophobicContact CG-CD2 4.46Å; E126-Y155 HydrophobicContact CG-CE2 3.6Å; E126-Y155 VanDerWaalsContact OE1-CE2 3.22Å; E126-Y155 WeakPolarHBondContact OE1-CE2 3.28Å; E126-Y155 PolarHBondContact OE1-OH 3.07Å |
| 127 | A | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E123 T129 Q130 Q131 | E123-A127 WeakPolarHBondContact O-CB 3.23Å; E123-A127 PolarHBondContact O-N 2.86Å; E123-A127 VanDerWaalsContact O-N 3.11Å; A127-T129 PolarHBondContact O-N 3.11Å; A127-Q130 PolarHBondContact O-N 3.38Å; A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 PolarHBondContact O-N 2.56Å |
| 128 | W | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 176.1 | 164.8 | 81.1 | 0 | 0 | 0 | 112.5 | H114 Y116 T124 I125 E126 Q130 Q131 V132 L157 Q187 V190 P216 | H114-W128 AromaticContact CD2-CD1 3.83Å; H114-W128 AromaticContact CD2-CG 3.66Å; H114-W128 AromaticContact CE1-CD1 3.55Å; H114-W128 AromaticContact CE1-NE1 3.78Å; H114-W128 AromaticContact CG-CD1 3.98Å; H114-W128 AromaticContact ND1-CD1 3.83Å; H114-W128 AromaticContact NE2-CD1 3.56Å; H114-W128 AromaticContact NE2-CD2 3.96Å; H114-W128 AromaticContact NE2-CG 3.56Å; H114-W128 AromaticContact NE2-NE1 3.93Å; Y116-W128 HydrophobicContact CE1-CZ2 4.15Å; Y116-W128 AromaticContact CE1-NE1 3.6Å; Y116-W128 AromaticContact CZ-NE1 3.53Å; Y116-W128 PolarHBondContact OH-NE1 3.17Å; T124-W128 VanDerWaalsContact O-CB 3.23Å; T124-W128 WeakPolarHBondContact O-CB 3.29Å; T124-W128 PolarHBondContact O-N 3.42Å; I125-W128 HydrophobicContact CG2-CE3 4.1Å; I125-W128 HydrophobicContact CG2-CZ3 4.48Å; I125-W128 WeakPolarHBondContact O-CB 3.48Å; I125-W128 PolarHBondContact O-N 3.43Å; E126-W128 VanDerWaalsContact C-N 3.31Å; E126-W128 PolarHBondContact O-N 2.74Å; W128-Q130 VanDerWaalsContact C-N 3.25Å; W128-Q130 PolarHBondContact O-N 2.79Å; W128-Q131 PolarHBondContact O-N 3Å; W128-V132 HydrophobicContact CZ2-CG1 4.21Å; W128-V132 WeakPolarHBondContact O-CB 3.23Å; W128-V132 WeakPolarHBondContact O-CG1 3.47Å; W128-V132 PolarHBondContact O-N 3.14Å; W128-L157 HydrophobicContact CH2-CD1 3.74Å; W128-L157 HydrophobicContact CZ3-CD1 3.9Å; W128-Q187 HydrophobicContact CD2-CG 4.4Å; W128-Q187 HydrophobicContact CE3-CG 3.98Å; W128-Q187 HydrophobicContact CH2-CB 4.11Å; W128-Q187 HydrophobicContact CH2-CG 3.83Å; W128-Q187 HydrophobicContact CZ2-CB 4.18Å; W128-Q187 HydrophobicContact CZ2-CG 4.22Å; W128-Q187 HydrophobicContact CZ3-CB 4.47Å; W128-Q187 HydrophobicContact CZ3-CG 3.69Å; W128-V190 HydrophobicContact CH2-CB 3.92Å; W128-V190 HydrophobicContact CH2-CG1 4.16Å; W128-V190 HydrophobicContact CH2-CG2 3.95Å; W128-V190 HydrophobicContact CZ2-CB 3.77Å; W128-V190 HydrophobicContact CZ2-CG1 3.79Å; W128-V190 HydrophobicContact CZ2-CG2 4.33Å; W128-P216 HydrophobicContact CZ3-CB 4.34Å; W128-P216 HydrophobicContact CZ3-CG 4.45Å |
| 129 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 178.3 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | I125 E126 A127 A133 R142 L157 P216 | I125-T129 HydrophobicContact CG2-CG2 4.48Å; I125-T129 VanDerWaalsContact O-CG2 3.25Å; I125-T129 WeakPolarHBondContact O-CG2 3.43Å; I125-T129 PolarHBondContact O-N 2.98Å; E126-T129 PolarHBondContact O-N 3.14Å; E126-T129 PolarHBondContact O-OG1 3.3Å; A127-T129 PolarHBondContact O-N 3.11Å; T129-A133 WeakPolarHBondContact O-CB 3.3Å; T129-A133 PolarHBondContact O-N 2.93Å; T129-R142 WeakPolarHBondContact OG1-CD 3.35Å; T129-R142 PolarHBondContact OG1-NH1 3.22Å; T129-L157 HydrophobicContact CG2-CD1 4.41Å; T129-P216 HydrophobicContact CG2-CG 4.13Å |
| 130 | Q | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 50 Ų | 50 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.4 | -47.2 | 175.4 | -170.5 | 169 | -6.2 | 0 | 0 | 111.5 | E126 A127 W128 A133 T134 | E126-Q130 PolarHBondContact O-N 3.32Å; A127-Q130 PolarHBondContact O-N 3.38Å; W128-Q130 VanDerWaalsContact C-N 3.25Å; W128-Q130 PolarHBondContact O-N 2.79Å; Q130-A133 PolarHBondContact O-N 3.05Å; Q130-T134 WeakPolarHBondContact O-CB 3.33Å; Q130-T134 PolarHBondContact O-N 3.22Å; Q130-T134 PolarHBondContact O-OG1 3.42Å |
| 131 | Q | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -51.9 | -177.1 | -178.1 | -179.4 | 6.3 | 0 | 0 | 110.8 | A127 W128 A133 T134 E135 | A127-Q131 WeakPolarHBondContact O-CB 3.47Å; A127-Q131 PolarHBondContact O-N 2.56Å; W128-Q131 PolarHBondContact O-N 3Å; Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.2Å; Q131-T134 PolarHBondContact O-N 3.12Å; Q131-T134 VanDerWaalsContact O-N 3.08Å; Q131-E135 HydrophobicContact CG-CG 4.3Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.02Å; Q131-E135 PolarHBondContact NE2-OE1 3.12Å; Q131-E135 WeakPolarHBondContact O-CB 3.49Å; Q131-E135 WeakPolarHBondContact O-CG 3.46Å; Q131-E135 PolarHBondContact O-N 2.64Å |
| 132 | V | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.6 | -34 | -176.2 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | W128 N136 I140 L157 V190 V194 | W128-V132 HydrophobicContact CZ2-CG1 4.21Å; W128-V132 WeakPolarHBondContact O-CB 3.23Å; W128-V132 WeakPolarHBondContact O-CG1 3.47Å; W128-V132 PolarHBondContact O-N 3.14Å; V132-N136 WeakPolarHBondContact O-CB 3.28Å; V132-N136 PolarHBondContact O-N 3.44Å; V132-N136 PolarHBondContact O-ND2 3Å; V132-I140 HydrophobicContact CG2-CD1 3.86Å; V132-L157 HydrophobicContact CG1-CD1 4.1Å; V132-V190 HydrophobicContact CG1-CG1 4.26Å; V132-V190 HydrophobicContact CG2-CG1 3.88Å; V132-V194 HydrophobicContact CG2-CG2 4.34Å |
| 133 | A | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T129 Q130 Q131 N136 P137 I140 R142 | T129-A133 WeakPolarHBondContact O-CB 3.3Å; T129-A133 PolarHBondContact O-N 2.93Å; Q130-A133 PolarHBondContact O-N 3.05Å; Q131-A133 VanDerWaalsContact C-N 3.29Å; Q131-A133 PolarHBondContact O-N 3.2Å; A133-N136 CarbonylContact O-C 3.46Å; A133-N136 PolarHBondContact O-N 3.05Å; A133-P137 WeakPolarHBondContact O-CA 3.46Å; A133-I140 HydrophobicContact CB-CG2 3.89Å; A133-R142 HydrophobicContact CB-CB 4.18Å |
| 134 | T | 98.7 | Very high | 98.7 | Very high | 100 Ų | 100 | 51.8 Ų | 51.8 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.9 | -38.5 | 179.9 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | Q130 Q131 N136 P137 | Q130-T134 WeakPolarHBondContact O-CB 3.33Å; Q130-T134 PolarHBondContact O-N 3.22Å; Q130-T134 PolarHBondContact O-OG1 3.42Å; Q131-T134 PolarHBondContact O-N 3.12Å; Q131-T134 VanDerWaalsContact O-N 3.08Å; T134-N136 VanDerWaalsContact C-N 3.34Å; T134-P137 WeakPolarHBondContact O-CD 3.26Å |
| 135 | E | 98.7 | Very high | 98.7 | Very high | 121 Ų | 121 | 51.6 Ų | 51.6 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.7 | -23.7 | 178.7 | -70.7 | 174.4 | 179.6 | 0 | 0 | 112.5 | Q131 P137 | Q131-E135 HydrophobicContact CG-CG 4.3Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.02Å; Q131-E135 PolarHBondContact NE2-OE1 3.12Å; Q131-E135 WeakPolarHBondContact O-CB 3.49Å; Q131-E135 WeakPolarHBondContact O-CG 3.46Å; Q131-E135 PolarHBondContact O-N 2.64Å; E135-P137 VanDerWaalsContact C-CD 3.43Å |
| 136 | N | 98.6 | Very high | 98.7 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 20% | 0.198 | 31% | 0.306 | C | S | . | . | trans | -129.4 | 50.9 | -174.4 | -53.3 | -82.6 | 0 | 0 | 0 | 113.1 | V132 A133 T134 A138 L139 I140 V194 | V132-N136 WeakPolarHBondContact O-CB 3.28Å; V132-N136 PolarHBondContact O-N 3.44Å; V132-N136 PolarHBondContact O-ND2 3Å; A133-N136 CarbonylContact O-C 3.46Å; A133-N136 PolarHBondContact O-N 3.05Å; T134-N136 VanDerWaalsContact C-N 3.34Å; N136-A138 PolarHBondContact O-N 2.68Å; N136-L139 PolarHBondContact O-N 3.11Å; N136-I140 HydrophobicContact CB-CD1 4.27Å; N136-I140 HydrophobicContact CB-CG1 4.43Å; N136-I140 PolarHBondContact O-N 2.67Å; N136-V194 HydrophobicContact CB-CG2 4.29Å; N136-V194 WeakPolarHBondContact OD1-CG1 3.47Å | ||
| 137 | P | 98.3 | Very high | 98.7 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 66% | 0.656 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -17.2 | -167.8 | 29.2 | -37 | 0 | 0 | 0 | 113.8 | A133 T134 E135 L139 | A133-P137 WeakPolarHBondContact O-CA 3.46Å; T134-P137 WeakPolarHBondContact O-CD 3.26Å; E135-P137 VanDerWaalsContact C-CD 3.43Å; P137-L139 VanDerWaalsContact C-N 3.32Å |
| 138 | A | 97.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -16.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N136 | N136-A138 PolarHBondContact O-N 2.68Š|
| 139 | L | 98.4 | Very high | 98.7 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -28.6 | -176.4 | -70.6 | 177.2 | 0 | 0 | 0 | 113.2 | N136 P137 V159 G160 K161 Y197 | N136-L139 PolarHBondContact O-N 3.11Å; P137-L139 VanDerWaalsContact C-N 3.32Å; L139-V159 CarbonylContact O-C 3.46Å; L139-V159 WeakPolarHBondContact O-CA 3.24Å; L139-G160 PolarHBondContact O-N 3.13Å; L139-G160 VanDerWaalsContact O-O 3.09Å; L139-K161 HydrophobicContact CD2-CB 4.35Å; L139-K161 HydrophobicContact CD2-CD 4.36Å; L139-Y197 HydrophobicContact CD1-CD1 3.6Å; L139-Y197 HydrophobicContact CD1-CE1 4.24Å; L139-Y197 HydrophobicContact CD1-CG 3.76Å; L139-Y197 HydrophobicContact CD2-CD1 3.9Å; L139-Y197 HydrophobicContact CD2-CD2 4.01Å; L139-Y197 HydrophobicContact CD2-CE1 3.81Å; L139-Y197 HydrophobicContact CD2-CE2 3.91Å; L139-Y197 HydrophobicContact CD2-CG 3.99Å; L139-Y197 HydrophobicContact CG-CD1 4.25Å; L139-Y197 HydrophobicContact CG-CE1 4.43Å |
| 140 | I | 98.8 | Very high | 98.7 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.6 | -171 | -58.6 | 177.3 | 0 | 0 | 0 | 110 | V132 A133 N136 L157 K158 V159 V190 V194 | V132-I140 HydrophobicContact CG2-CD1 3.86Å; A133-I140 HydrophobicContact CB-CG2 3.89Å; N136-I140 HydrophobicContact CB-CD1 4.27Å; N136-I140 HydrophobicContact CB-CG1 4.43Å; N136-I140 PolarHBondContact O-N 2.67Å; I140-L157 HydrophobicContact CG2-CB 4.47Å; I140-L157 HydrophobicContact CG2-CD2 4.04Å; I140-K158 VanDerWaalsContact CA-O 3.3Å; I140-K158 WeakPolarHBondContact CA-O 3.48Å; I140-V159 HydrophobicContact CG1-CG1 4.23Å; I140-V159 HydrophobicContact CG1-CG2 4.27Å; I140-V190 HydrophobicContact CD1-CG1 3.66Å; I140-V194 HydrophobicContact CD1-CG2 3.45Å; I140-V194 VanDerWaalsContact CD1-CG2 3.45Å |
| 141 | S | 98.8 | Very high | 98.7 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 153.8 | 162.6 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | L157 K158 | S141-L157 CarbonylContact O-C 3.4Å; S141-L157 WeakPolarHBondContact O-CA 3.31Å; S141-K158 PolarHBondContact N-O 3.35Å; S141-K158 PolarHBondContact O-N 2.96Å |
| 142 | R | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 53.3 Ų | 53.3 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136 | 177.4 | -175.7 | 174.8 | 73.1 | 156.6 | 2.8 | 109.7 | E126 T129 A133 Y155 L156 L157 | E126-R142 PolarHBondContact O-NH1 2.79Å; T129-R142 WeakPolarHBondContact OG1-CD 3.35Å; T129-R142 PolarHBondContact OG1-NH1 3.22Å; A133-R142 HydrophobicContact CB-CB 4.18Å; R142-Y155 HydrophobicContact CG-CD1 4.04Å; R142-L156 WeakPolarHBondContact CA-O 3.44Å; R142-L157 HydrophobicContact CB-CD2 3.86Å; R142-L157 HydrophobicContact CG-CD2 4.02Å |
| 143 | S | 98.8 | Very high | 98.7 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 165.4 | 170 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | Y155 L156 | S143-Y155 WeakPolarHBondContact O-CA 3.13Å; S143-L156 PolarHBondContact N-O 2.88Å; S143-L156 PolarHBondContact O-N 2.88Å |
| 144 | V | 98.9 | Very high | 98.7 | Very high | 71 Ų | 71 | 55.5 Ų | 55.5 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.1 | 167.9 | 178.2 | 0 | 0 | 0 | 0 | 107.1 | G146 D153 I154 Y155 | V144-G146 VanDerWaalsContact CG1-O 3.22Å; V144-G146 WeakPolarHBondContact CG1-O 3.26Å; V144-D153 HydrophobicContact CG1-CB 3.86Å; V144-D153 HydrophobicContact CG2-CB 3.92Å; V144-I154 WeakPolarHBondContact CA-O 3.27Å; V144-Y155 HydrophobicContact CG2-CD1 3.77Å; V144-Y155 HydrophobicContact CG2-CE1 3.7Å |
| 145 | I | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -12.3 | 179.9 | 63.9 | 167.9 | 0 | 0 | 0 | 113.1 | I154 L156 L215 A285 F289 | I145-I154 HydrophobicContact CD1-CG2 4.02Å; I145-I154 HydrophobicContact CG1-CB 4.03Å; I145-I154 HydrophobicContact CG1-CG2 3.8Å; I145-I154 PolarHBondContact N-O 3.23Å; I145-L156 HydrophobicContact CG2-CB 3.72Å; I145-L156 HydrophobicContact CG2-CD2 3.87Å; I145-L156 HydrophobicContact CG2-CG 4.41Å; I145-L215 HydrophobicContact CD1-CD1 3.67Å; I145-A285 HydrophobicContact CG1-CB 4.46Å; I145-F289 HydrophobicContact CB-CB 4.46Å; I145-F289 HydrophobicContact CB-CD2 4.31Å; I145-F289 HydrophobicContact CG2-CB 4.43Å; I145-F289 HydrophobicContact CG2-CD2 3.51Å; I145-F289 HydrophobicContact CG2-CE2 4.02Å; I145-F289 HydrophobicContact CG2-CG 4.09Å |
| 146 | G | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.8 | -169 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V144 I154 | V144-G146 VanDerWaalsContact CG1-O 3.22Å; V144-G146 WeakPolarHBondContact CG1-O 3.26Å; G146-I154 PolarHBondContact O-N 3.45Å |
| 147 | T | 98.9 | Very high | 98.7 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 36% | 0.362 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.9 | 178.6 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | R152 K281 | T147-R152 CarbonylContact C-O 3.57Å; T147-R152 WeakPolarHBondContact CA-O 3.34Å; T147-K281 VanDerWaalsContact O-CB 3.26Å; T147-K281 WeakPolarHBondContact O-CB 3.49Å |
| 148 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -65.6 | 173.2 | 175 | 67.1 | 0 | 0 | 0 | 0 | 113.2 | E150 G151 R152 I154 I220 D221 E282 | T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 2.86Å; T148-G151 PolarHBondContact O-N 2.8Å; T148-G151 VanDerWaalsContact O-N 3.11Å; T148-G151 PolarHBondContact OG1-N 3.12Å; T148-R152 HydrophobicContact CG2-CB 4.22Å; T148-R152 PolarHBondContact N-O 2.8Å; T148-R152 WeakPolarHBondContact OG1-CB 3.42Å; T148-R152 PolarHBondContact OG1-N 3.4Å; T148-I154 HydrophobicContact CG2-CD1 4.26Å; T148-I154 HydrophobicContact CG2-CG1 3.86Å; T148-I220 HydrophobicContact CG2-CB 3.89Å; T148-I220 HydrophobicContact CG2-CD1 4.03Å; T148-I220 HydrophobicContact CG2-CG1 4.36Å; T148-D221 VanDerWaalsContact CB-CG 3.47Å; T148-D221 WeakPolarHBondContact CB-OD1 3.26Å; T148-D221 VanDerWaalsContact CB-OD2 3.28Å; T148-D221 WeakPolarHBondContact CB-OD2 3.45Å; T148-D221 VanDerWaalsContact OG1-CG 3.23Å; T148-D221 PolarHBondContact OG1-OD1 3.23Å; T148-D221 PolarHBondContact OG1-OD2 3.19Å; T148-E282 VanDerWaalsContact CA-OE1 3.28Å; T148-E282 WeakPolarHBondContact CA-OE1 3.43Å; T148-E282 VanDerWaalsContact CB-OE1 3.23Å; T148-E282 WeakPolarHBondContact CB-OE1 3.47Å; T148-E282 HydrophobicContact CG2-CG 4.03Å | ||
| 149 | F | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -48.3 | 173.5 | -178.3 | -96.2 | 0 | 0 | 0 | 112.6 | G151 D221 R237 T239 E282 | F149-G151 PolarHBondContact O-N 3.03Å; F149-D221 PolarHBondContact N-OD2 3.26Å; F149-R237 WeakPolarHBondContact CD1-O 3.49Å; F149-T239 HydrophobicContact CE1-CG2 4.31Å; F149-T239 HydrophobicContact CZ-CG2 4.38Å; F149-T239 WeakPolarHBondContact CZ-OG1 3.27Å; F149-E282 PolarHBondContact N-OE1 2.9Å |
| 150 | E | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 39 Ų | 39 | 42% | 0.416 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 6.4 | 178.9 | -62 | -177.6 | 178 | 0 | 0 | 113.5 | T148 R152 D221 R237 | T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 2.86Å; E150-R152 IonicContact OE2-CZ 3.42Å; E150-R152 IonicContact OE2-NH1 2.72Å; E150-R152 PolarHBondContact OE2-NH1 2.98Å; E150-R152 IonicContact OE2-NH2 2.71Å; E150-R152 PolarHBondContact OE2-NH2 3.46Å; E150-D221 VanDerWaalsContact CB-OD2 3.32Å; E150-D221 WeakPolarHBondContact CB-OD2 3.3Å; E150-D221 HydrophobicContact CG-CB 4.3Å; E150-D221 WeakPolarHBondContact CG-OD2 3.34Å; E150-D221 PolarHBondContact N-OD2 3.47Å; E150-R237 HydrophobicContact CG-CB 4.41Å |
| 151 | G | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 42.5 Ų | 42.5 | 55% | 0.546 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 88.1 | 29.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T148 F149 | T148-G151 PolarHBondContact O-N 2.8Å; T148-G151 VanDerWaalsContact O-N 3.11Å; T148-G151 PolarHBondContact OG1-N 3.12Å; F149-G151 PolarHBondContact O-N 3.03Å |
| 152 | R | 98.8 | Very high | 98.6 | Very high | 68 Ų | 68 | 43.5 Ų | 43.5 | 26% | 0.257 | 25% | 0.246 | S | C | . | . | trans | -97.6 | 140.5 | 176.5 | -57.4 | -176.9 | 179 | 89 | 3 | 111 | T147 T148 E150 I154 I220 D221 I224 | T147-R152 CarbonylContact C-O 3.57Å; T147-R152 WeakPolarHBondContact CA-O 3.34Å; T148-R152 HydrophobicContact CG2-CB 4.22Å; T148-R152 PolarHBondContact N-O 2.8Å; T148-R152 WeakPolarHBondContact OG1-CB 3.42Å; T148-R152 PolarHBondContact OG1-N 3.4Å; E150-R152 IonicContact OE2-CZ 3.42Å; E150-R152 IonicContact OE2-NH1 2.72Å; E150-R152 PolarHBondContact OE2-NH1 2.98Å; E150-R152 IonicContact OE2-NH2 2.71Å; E150-R152 PolarHBondContact OE2-NH2 3.46Å; R152-I154 PolarHBondContact O-N 3.21Å; R152-I220 HydrophobicContact CB-CG2 4.25Å; R152-D221 IonicContact CZ-OD1 2.69Å; R152-D221 VanDerWaalsContact NH1-CG 3.32Å; R152-D221 IonicContact NH1-OD1 3.43Å; R152-D221 PolarHBondContact NH1-OD1 3.4Å; R152-I224 VanDerWaalsContact CD-CD1 3.42Å; R152-I224 VanDerWaalsContact CZ-CD1 3.43Å | ||
| 153 | D | 98.9 | Very high | 98.3 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.8 | 177.9 | -74.8 | -13.5 | 0 | 0 | 0 | 111.3 | V144 Y155 I220 | V144-D153 HydrophobicContact CG1-CB 3.86Å; V144-D153 HydrophobicContact CG2-CB 3.92Å; D153-Y155 HydrophobicContact CB-CE1 3.91Å; D153-Y155 HydrophobicContact CB-CE2 4.13Å; D153-Y155 PolarHBondContact O-N 3.46Å; D153-I220 VanDerWaalsContact O-CD1 3.29Å; D153-I220 WeakPolarHBondContact O-CD1 3.3Å |
| 154 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 102.7 | 175.5 | -53 | 171.5 | 0 | 0 | 0 | 107.8 | V144 I145 G146 T148 R152 L215 L218 I220 E282 A285 | V144-I154 WeakPolarHBondContact CA-O 3.27Å; I145-I154 HydrophobicContact CD1-CG2 4.02Å; I145-I154 HydrophobicContact CG1-CB 4.03Å; I145-I154 HydrophobicContact CG1-CG2 3.8Å; I145-I154 PolarHBondContact N-O 3.23Å; G146-I154 PolarHBondContact O-N 3.45Å; T148-I154 HydrophobicContact CG2-CD1 4.26Å; T148-I154 HydrophobicContact CG2-CG1 3.86Å; R152-I154 PolarHBondContact O-N 3.21Å; I154-L215 HydrophobicContact CG2-CD1 4.33Å; I154-L215 HydrophobicContact CG2-CD2 4.31Å; I154-L215 HydrophobicContact CG2-CG 4.48Å; I154-L218 HydrophobicContact CG2-CD1 4.36Å; I154-I220 HydrophobicContact CB-CD1 4.47Å; I154-I220 HydrophobicContact CG1-CD1 4.21Å; I154-E282 HydrophobicContact CD1-CB 4.25Å; I154-E282 HydrophobicContact CD1-CG 4.13Å; I154-A285 HydrophobicContact CD1-CB 4.11Å |
| 155 | Y | 98.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 138.3 | -177.2 | -59.4 | -70.5 | 0 | 0 | 0 | 112.6 | W122 E126 R142 S143 V144 D153 | W122-Y155 AromaticContact CH2-CD2 3.72Å; W122-Y155 HydrophobicContact CH2-CD2 3.72Å; W122-Y155 HydrophobicContact CH2-CE2 4.2Å; W122-Y155 AromaticContact CZ2-CD2 3.83Å; W122-Y155 HydrophobicContact CZ2-CD2 3.83Å; W122-Y155 AromaticContact CZ2-CE2 3.82Å; W122-Y155 HydrophobicContact CZ2-CE2 3.82Å; E126-Y155 HydrophobicContact CB-CE2 4.29Å; E126-Y155 HydrophobicContact CG-CD2 4.46Å; E126-Y155 HydrophobicContact CG-CE2 3.6Å; E126-Y155 VanDerWaalsContact OE1-CE2 3.22Å; E126-Y155 WeakPolarHBondContact OE1-CE2 3.28Å; E126-Y155 PolarHBondContact OE1-OH 3.07Å; R142-Y155 HydrophobicContact CG-CD1 4.04Å; S143-Y155 WeakPolarHBondContact O-CA 3.13Å; V144-Y155 HydrophobicContact CG2-CD1 3.77Å; V144-Y155 HydrophobicContact CG2-CE1 3.7Å; D153-Y155 HydrophobicContact CB-CE1 3.91Å; D153-Y155 HydrophobicContact CB-CE2 4.13Å; D153-Y155 PolarHBondContact O-N 3.46Å |
| 156 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.2 | 170.5 | -173 | 73.4 | 0 | 0 | 0 | 109.4 | R142 S143 I145 F170 Y213 L215 F289 | R142-L156 WeakPolarHBondContact CA-O 3.44Å; S143-L156 PolarHBondContact N-O 2.88Å; S143-L156 PolarHBondContact O-N 2.88Å; I145-L156 HydrophobicContact CG2-CB 3.72Å; I145-L156 HydrophobicContact CG2-CD2 3.87Å; I145-L156 HydrophobicContact CG2-CG 4.41Å; L156-F170 HydrophobicContact CD1-CE2 3.82Å; L156-F170 HydrophobicContact CD1-CZ 3.9Å; L156-F170 HydrophobicContact CD2-CE2 4.21Å; L156-Y213 HydrophobicContact CD2-CD1 3.77Å; L156-Y213 HydrophobicContact CD2-CG 4.15Å; L156-Y213 HydrophobicContact CG-CD1 4.43Å; L156-L215 HydrophobicContact CD1-CB 3.68Å; L156-L215 HydrophobicContact CD1-CG 4.21Å; L156-F289 HydrophobicContact CD2-CD1 4.17Å; L156-F289 HydrophobicContact CD2-CD2 4.08Å; L156-F289 HydrophobicContact CD2-CE1 3.6Å; L156-F289 HydrophobicContact CD2-CE2 3.49Å; L156-F289 VanDerWaalsContact CD2-CE2 3.49Å; L156-F289 HydrophobicContact CD2-CG 4.39Å; L156-F289 HydrophobicContact CD2-CZ 3.22Å |
| 157 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.9 | 171.5 | -63.9 | 177.9 | 0 | 0 | 0 | 109.3 | W128 T129 V132 I140 S141 R142 V159 V190 Y213 I214 | W128-L157 HydrophobicContact CH2-CD1 3.74Å; W128-L157 HydrophobicContact CZ3-CD1 3.9Å; T129-L157 HydrophobicContact CG2-CD1 4.41Å; V132-L157 HydrophobicContact CG1-CD1 4.1Å; I140-L157 HydrophobicContact CG2-CB 4.47Å; I140-L157 HydrophobicContact CG2-CD2 4.04Å; S141-L157 CarbonylContact O-C 3.4Å; S141-L157 WeakPolarHBondContact O-CA 3.31Å; R142-L157 HydrophobicContact CB-CD2 3.86Å; R142-L157 HydrophobicContact CG-CD2 4.02Å; L157-V159 HydrophobicContact CB-CG2 4.26Å; L157-V190 HydrophobicContact CD1-CG1 4.38Å; L157-V190 HydrophobicContact CD1-CG2 4.04Å; L157-Y213 CarbonylContact O-C 3.57Å; L157-Y213 WeakPolarHBondContact O-CA 3.44Å; L157-I214 HydrophobicContact CB-CB 4.36Å; L157-I214 PolarHBondContact N-O 2.95Å; L157-I214 PolarHBondContact O-N 2.95Å |
| 158 | K | 98.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 115.3 | 166.4 | -179.8 | -179.3 | 179.3 | 161.8 | 0 | 108.2 | I140 S141 D211 Y213 | I140-K158 VanDerWaalsContact CA-O 3.3Å; I140-K158 WeakPolarHBondContact CA-O 3.48Å; S141-K158 PolarHBondContact N-O 3.35Å; S141-K158 PolarHBondContact O-N 2.96Å; K158-D211 WeakPolarHBondContact CE-OD1 3.4Å; K158-D211 WeakPolarHBondContact CE-OD2 3.26Å; K158-D211 IonicContact NZ-OD1 2.78Å; K158-D211 IonicContact NZ-OD2 3.52Å; K158-D211 PolarHBondContact NZ-OD2 2.91Å; K158-Y213 HydrophobicContact CB-CD1 4.07Å; K158-Y213 HydrophobicContact CB-CE1 4.01Å; K158-Y213 HydrophobicContact CD-CE1 3.91Å; K158-Y213 HydrophobicContact CG-CD1 4.17Å; K158-Y213 HydrophobicContact CG-CE1 3.8Å |
| 159 | V | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 115 | -177 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | L139 I140 L157 V190 A193 L207 F212 I214 | L139-V159 CarbonylContact O-C 3.46Å; L139-V159 WeakPolarHBondContact O-CA 3.24Å; I140-V159 HydrophobicContact CG1-CG1 4.23Å; I140-V159 HydrophobicContact CG1-CG2 4.27Å; L157-V159 HydrophobicContact CB-CG2 4.26Å; V159-V190 HydrophobicContact CG2-CG2 4.14Å; V159-A193 HydrophobicContact CG1-CB 3.8Å; V159-L207 HydrophobicContact CG1-CD2 4.05Å; V159-F212 HydrophobicContact CB-CB 4.28Å; V159-F212 PolarHBondContact N-O 2.95Å; V159-F212 PolarHBondContact O-N 3.04Å; V159-I214 HydrophobicContact CG2-CG1 3.9Å |
| 160 | G | 98.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 46 Ų | 46 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 160.9 | 152.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L139 A162 | L139-G160 PolarHBondContact O-N 3.13Å; L139-G160 VanDerWaalsContact O-O 3.09Å; G160-A162 PolarHBondContact O-N 3.01Å |
| 161 | K | 98 | Very high | 97.7 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | trans | -67 | 133.9 | 173.8 | -171.7 | 68.8 | 179.5 | 74 | 0 | 109.3 | L139 G163 K166 L207 | L139-K161 HydrophobicContact CD2-CB 4.35Å; L139-K161 HydrophobicContact CD2-CD 4.36Å; K161-G163 PolarHBondContact O-N 3.2Å; K161-K166 WeakPolarHBondContact O-CD 3.24Å; K161-K166 PolarHBondContact O-NZ 2.97Å; K161-L207 PolarHBondContact N-O 2.92Å | ||
| 162 | A | 95.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 39.3 Ų | 39.3 | 68% | 0.678 | 22% | 0.216 | S | C | * | . | trans | -52.3 | 131.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G160 | G160-A162 PolarHBondContact O-N 3.01Š| ||
| 163 | G | 92.8 | Very high | 97.7 | Very high | 48 Ų | 48 | 36 Ų | 36 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | trans | -163.2 | 164.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K161 | K161-G163 PolarHBondContact O-N 3.2Š| ||
| 164 | Q | 90.9 | Very high | 97.7 | Very high | 182 Ų | 182 | 33.1 Ų | 33.1 | 85% | 0.85 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -88.1 | 142 | 179 | -67.4 | 179.2 | -14.6 | 0 | 0 | 110.6 | K166 | Q164-K166 PolarHBondContact O-N 2.83Å; Q164-K166 VanDerWaalsContact O-N 3.09Å |
| 165 | N | 93.3 | Very high | 97.7 | Very high | 166 Ų | 166 | 33.1 Ų | 33.1 | 89% | 0.888 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 50.3 | 36 | 172.4 | -55.6 | -29.5 | 0 | 0 | 0 | 114.4 | ||
| 166 | K | 97.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | trans | -69.7 | 133.6 | 179.3 | -69.6 | 179.9 | 68.5 | -165.1 | 0 | 110.3 | K161 Q164 L207 N208 L210 D211 | K161-K166 WeakPolarHBondContact O-CD 3.24Å; K161-K166 PolarHBondContact O-NZ 2.97Å; Q164-K166 PolarHBondContact O-N 2.83Å; Q164-K166 VanDerWaalsContact O-N 3.09Å; K166-L207 PolarHBondContact NZ-O 3.42Å; K166-N208 WeakPolarHBondContact CE-O 3.42Å; K166-L210 VanDerWaalsContact CE-O 3.3Å; K166-L210 WeakPolarHBondContact CE-O 3.42Å; K166-L210 VanDerWaalsContact NZ-C 3.32Å; K166-L210 PolarHBondContact NZ-O 3.01Å; K166-D211 WeakPolarHBondContact CE-OD1 3.47Å; K166-D211 IonicContact NZ-OD1 3.35Å; K166-D211 PolarHBondContact NZ-OD1 2.92Å | ||
| 167 | P | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | trans | -61.9 | 152.1 | 164 | 23.7 | -28.7 | 0 | 0 | 0 | 110.1 | K209 L210 D211 S296 K298 L416 | P167-K209 WeakPolarHBondContact CD-O 3.5Å; P167-L210 HydrophobicContact CB-CD2 3.93Å; P167-L210 HydrophobicContact CG-CD2 3.76Å; P167-L210 WeakPolarHBondContact O-CA 3.19Å; P167-D211 PolarHBondContact O-N 2.85Å; P167-S296 CarbonylContact C-O 3.57Å; P167-S296 WeakPolarHBondContact CA-O 3.08Å; P167-K298 HydrophobicContact CB-CG 3.7Å; P167-L416 HydrophobicContact CB-CD2 3.61Å; P167-L416 HydrophobicContact CG-CD1 3.85Å; P167-L416 HydrophobicContact CG-CD2 3.63Å; P167-L416 HydrophobicContact CG-CG 4.42Å | ||
| 168 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D211 Y213 S296 I297 K298 | A168-D211 CarbonylContact C-O 3.6Å; A168-D211 WeakPolarHBondContact CA-O 3.02Å; A168-D211 HydrophobicContact CB-CB 4.2Å; A168-Y213 HydrophobicContact CB-CD2 3.82Å; A168-Y213 HydrophobicContact CB-CE2 3.54Å; A168-S296 PolarHBondContact N-O 3.43Å; A168-I297 HydrophobicContact CB-CG1 4.27Å; A168-I297 CarbonylContact O-C 3.58Å; A168-I297 WeakPolarHBondContact O-CA 3.41Å; A168-K298 PolarHBondContact O-N 2.9Å |
| 169 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.7 | 166.8 | -63.4 | -177.6 | 0 | 0 | 0 | 107.2 | I171 L210 D211 F212 Y213 A299 L301 A409 V412 | I169-I171 HydrophobicContact CG2-CD1 4.32Å; I169-I171 HydrophobicContact CG2-CG1 3.92Å; I169-L210 HydrophobicContact CD1-CD1 3.93Å; I169-L210 HydrophobicContact CG1-CD2 4.42Å; I169-D211 PolarHBondContact N-O 2.85Å; I169-F212 HydrophobicContact CB-CD1 3.87Å; I169-F212 HydrophobicContact CB-CE1 4.02Å; I169-F212 HydrophobicContact CD1-CE1 3.86Å; I169-F212 HydrophobicContact CD1-CZ 4.29Å; I169-F212 HydrophobicContact CG1-CE1 4.39Å; I169-F212 HydrophobicContact CG2-CD1 4.13Å; I169-F212 HydrophobicContact CG2-CE1 4.27Å; I169-F212 CarbonylContact O-C 3.54Å; I169-F212 WeakPolarHBondContact O-CA 3.42Å; I169-Y213 PolarHBondContact O-N 3.15Å; I169-A299 HydrophobicContact CD1-CB 4.48Å; I169-A299 HydrophobicContact CG1-CB 4.05Å; I169-A299 HydrophobicContact CG2-CB 4.18Å; I169-L301 HydrophobicContact CG2-CD1 3.89Å; I169-L301 HydrophobicContact CG2-CG 4.24Å; I169-A409 HydrophobicContact CD1-CB 3.54Å; I169-V412 HydrophobicContact CD1-CB 4.33Å; I169-V412 HydrophobicContact CD1-CG1 4.41Å |
| 170 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.9 | 175.1 | -164.1 | -80.7 | 0 | 0 | 0 | 109.4 | L156 D172 Y213 L215 L286 F289 I290 I297 A299 Y300 L301 | L156-F170 HydrophobicContact CD1-CE2 3.82Å; L156-F170 HydrophobicContact CD1-CZ 3.9Å; L156-F170 HydrophobicContact CD2-CE2 4.21Å; F170-D172 HydrophobicContact CE1-CB 3.87Å; F170-Y213 VanDerWaalsContact CD2-CB 3.45Å; F170-Y213 HydrophobicContact CD2-CD2 4.17Å; F170-Y213 HydrophobicContact CD2-CG 4.16Å; F170-L215 HydrophobicContact CE1-CB 4.43Å; F170-L215 HydrophobicContact CZ-CB 4.22Å; F170-L215 HydrophobicContact CZ-CD1 4.11Å; F170-L286 HydrophobicContact CD1-CD1 4.26Å; F170-L286 HydrophobicContact CE1-CD1 3.28Å; F170-L286 HydrophobicContact CE2-CD1 4.11Å; F170-L286 HydrophobicContact CZ-CD1 3.2Å; F170-F289 HydrophobicContact CD2-CD1 4.03Å; F170-F289 AromaticContact CD2-CE1 3.85Å; F170-F289 HydrophobicContact CD2-CE1 3.85Å; F170-F289 AromaticContact CE2-CD1 3.49Å; F170-F289 HydrophobicContact CE2-CD1 3.49Å; F170-F289 VanDerWaalsContact CE2-CD1 3.49Å; F170-F289 AromaticContact CE2-CE1 3.58Å; F170-F289 HydrophobicContact CE2-CE1 3.58Å; F170-F289 HydrophobicContact CZ-CD1 4.48Å; F170-I290 HydrophobicContact CD1-CD1 4.36Å; F170-I290 HydrophobicContact CD2-CG1 4.34Å; F170-I290 HydrophobicContact CG-CD1 4.47Å; F170-I290 HydrophobicContact CG-CG1 4.49Å; F170-I297 HydrophobicContact CB-CD1 4.47Å; F170-I297 HydrophobicContact CB-CG2 4.11Å; F170-I297 HydrophobicContact CD2-CD1 4.3Å; F170-A299 PolarHBondContact N-O 3.44Å; F170-Y300 HydrophobicContact CB-CD2 4.18Å; F170-Y300 AromaticContact CD1-CD2 3.78Å; F170-Y300 HydrophobicContact CD1-CD2 3.78Å; F170-Y300 AromaticContact CD1-CE2 3.71Å; F170-Y300 HydrophobicContact CD1-CE2 3.71Å; F170-Y300 HydrophobicContact CE1-CE2 4.21Å; F170-Y300 HydrophobicContact CG-CD2 4.32Å; F170-Y300 CarbonylContact O-C 3.52Å; F170-Y300 WeakPolarHBondContact O-CA 3.28Å; F170-L301 PolarHBondContact O-N 3.33Å |
| 171 | I | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.4 | 176.8 | -46.9 | -174.5 | 0 | 0 | 0 | 108.6 | I169 F189 F212 Y213 I214 L215 L301 I303 I405 | I169-I171 HydrophobicContact CG2-CD1 4.32Å; I169-I171 HydrophobicContact CG2-CG1 3.92Å; I171-F189 HydrophobicContact CD1-CD2 4.47Å; I171-F189 HydrophobicContact CD1-CE2 4.2Å; I171-F189 HydrophobicContact CD1-CZ 4.38Å; I171-F212 HydrophobicContact CD1-CD1 4.08Å; I171-Y213 PolarHBondContact N-O 3.03Å; I171-Y213 VanDerWaalsContact O-O 3.13Å; I171-I214 HydrophobicContact CB-CD1 3.72Å; I171-I214 HydrophobicContact CD1-CD1 3.82Å; I171-I214 HydrophobicContact CG1-CD1 3.91Å; I171-I214 CarbonylContact O-C 3.46Å; I171-I214 WeakPolarHBondContact O-CA 3.19Å; I171-L215 PolarHBondContact O-N 2.87Å; I171-L301 VanDerWaalsContact CA-O 3.25Å; I171-L301 WeakPolarHBondContact CA-O 3.36Å; I171-L301 HydrophobicContact CD1-CD1 4.15Å; I171-L301 HydrophobicContact CG1-CB 4.22Å; I171-L301 HydrophobicContact CG1-CD1 4.18Å; I171-L301 HydrophobicContact CG2-CB 4.41Å; I171-I303 HydrophobicContact CG2-CD1 4.25Å; I171-I303 HydrophobicContact CG2-CG1 3.84Å; I171-I405 HydrophobicContact CD1-CG2 3.77Å |
| 172 | D | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 158.3 | 173 | 56.7 | 67.4 | 0 | 0 | 0 | 113 | F170 F175 L215 Y300 L301 T302 I303 | F170-D172 HydrophobicContact CE1-CB 3.87Å; D172-F175 HydrophobicContact CB-CE2 4.12Å; D172-F175 WeakPolarHBondContact OD1-CD2 3.43Å; D172-F175 WeakPolarHBondContact OD1-CE2 3.47Å; D172-L215 WeakPolarHBondContact CA-O 3.42Å; D172-L215 HydrophobicContact CB-CB 3.85Å; D172-L215 HydrophobicContact CB-CD1 4.48Å; D172-Y300 WeakPolarHBondContact OD2-CE2 3.37Å; D172-Y300 PolarHBondContact OD2-OH 3.41Å; D172-L301 PolarHBondContact N-O 3.44Å; D172-L301 VanDerWaalsContact N-O 3.13Å; D172-T302 WeakPolarHBondContact OD1-CA 3.19Å; D172-T302 VanDerWaalsContact OD1-CB 3.26Å; D172-T302 WeakPolarHBondContact OD1-CB 3.32Å; D172-T302 PolarHBondContact OD1-OG1 3.06Å; D172-I303 WeakPolarHBondContact O-CB 3.15Å; D172-I303 WeakPolarHBondContact O-CG1 3.44Å; D172-I303 PolarHBondContact O-N 3.39Å |
| 173 | C | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 159.5 | -178.2 | -67 | 0 | 0 | 0 | 0 | 110.1 | S182 C186 L215 P216 V217 L218 | C173-S182 WeakPolarHBondContact CA-OG 3.2Å; C173-S182 WeakPolarHBondContact CB-OG 3.46Å; C173-S182 PolarHBondContact SG-O 2.98Å; C173-C186 HydrophobicContact CB-CB 3.77Å; C173-C186 WeakPolarHBondContact CB-SG 3.49Å; C173-C186 WeakPolarHBondContact SG-CB 3.49Å; C173-C186 CovalentContact SG-SG 2.03Å; C173-C186 PolarHBondContact SG-SG 2.87Å; C173-L215 PolarHBondContact N-O 3.28Å; C173-P216 VanDerWaalsContact CB-O 3.3Å; C173-P216 WeakPolarHBondContact CB-O 3.25Å; C173-V217 WeakPolarHBondContact O-CA 3.2Å; C173-L218 PolarHBondContact O-N 3.02Å |
| 174 | G | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | trans | 67 | 40.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S182 N219 | G174-S182 PolarHBondContact N-OG 3.43Å; G174-N219 WeakPolarHBondContact O-CB 3.01Å; G174-N219 PolarHBondContact O-N 3.16Å | ||
| 175 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -62.5 | -55.5 | 164.3 | -93.9 | -125.2 | 0 | 0 | 0 | 110.4 | D172 L218 N219 P250 N251 F254 L286 | D172-F175 HydrophobicContact CB-CE2 4.12Å; D172-F175 WeakPolarHBondContact OD1-CD2 3.43Å; D172-F175 WeakPolarHBondContact OD1-CE2 3.47Å; F175-L218 HydrophobicContact CD1-CD2 4.11Å; F175-L218 HydrophobicContact CD2-CB 4.01Å; F175-L218 HydrophobicContact CD2-CD2 3.53Å; F175-L218 HydrophobicContact CD2-CG 4.4Å; F175-L218 HydrophobicContact CE1-CD2 3.91Å; F175-L218 HydrophobicContact CE2-CB 4.22Å; F175-L218 HydrophobicContact CE2-CD2 3.24Å; F175-L218 HydrophobicContact CE2-CG 4.31Å; F175-L218 HydrophobicContact CG-CD2 3.96Å; F175-L218 HydrophobicContact CZ-CD2 3.47Å; F175-L218 VanDerWaalsContact CZ-CD2 3.47Å; F175-N219 WeakPolarHBondContact O-CB 3.13Å; F175-N219 PolarHBondContact O-ND2 2.97Å; F175-P250 HydrophobicContact CB-CG 4.31Å; F175-P250 HydrophobicContact CD1-CB 4.16Å; F175-P250 HydrophobicContact CD1-CG 4.35Å; F175-P250 WeakPolarHBondContact O-CG 3.25Å; F175-N251 HydrophobicContact CD1-CB 4.08Å; F175-F254 AromaticContact CE1-CE2 3.58Å; F175-F254 HydrophobicContact CE1-CE2 3.58Å; F175-F254 AromaticContact CE1-CZ 3.97Å; F175-F254 HydrophobicContact CE1-CZ 3.97Å; F175-F254 HydrophobicContact CZ-CE2 4.11Å; F175-F254 HydrophobicContact CZ-CZ 4.02Å; F175-L286 HydrophobicContact CE2-CD2 3.78Å; F175-L286 HydrophobicContact CZ-CD2 3.47Å; F175-L286 VanDerWaalsContact CZ-CD2 3.47Å |
| 176 | H | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 3.3 Ų | 3.3 | 2% | 0.023 | 2% | 0.018 | C | C | . | . | S | Bend | trans | -91.3 | 121.8 | 176.6 | -60.6 | 145 | 0 | 0 | 0 | 109.8 | R178 E179 R234 D249 H304 | H176-R178 VanDerWaalsContact C-N 3.28Å; H176-R178 PolarHBondContact O-N 3.42Å; H176-E179 HydrophobicContact CB-CB 4.46Å; H176-E179 VanDerWaalsContact CB-CD 3.41Å; H176-E179 HydrophobicContact CB-CG 3.86Å; H176-E179 WeakPolarHBondContact CB-OE1 3.35Å; H176-E179 IonicContact CE1-OE1 3.78Å; H176-E179 IonicContact CG-OE1 2.68Å; H176-E179 VanDerWaalsContact CG-OE1 3.3Å; H176-E179 IonicContact ND1-OE1 2.67Å; H176-E179 PolarHBondContact ND1-OE1 3.36Å; H176-E179 IonicContact ND1-OE2 3.35Å; H176-E179 PolarHBondContact O-N 3.41Å; H176-E179 VanDerWaalsContact O-N 3.16Å; H176-R234 WeakPolarHBondContact CA-O 3.23Å; H176-R234 HydrophobicContact CB-CG 3.86Å; H176-R234 PolarHBondContact CD2-NE 3.13Å; H176-R234 VanDerWaalsContact CD2-NE 3.29Å; H176-R234 PolarHBondContact CE1-NH2 2.89Å; H176-R234 VanDerWaalsContact CE1-NH2 3.35Å; H176-R234 VanDerWaalsContact NE2-CZ 3.31Å; H176-R234 PolarHBondContact NE2-NE 2.96Å; H176-R234 PolarHBondContact NE2-NH2 2.87Å; H176-D249 IonicContact CD2-OD1 3.58Å; H176-D249 IonicContact NE2-OD1 3.63Å; H176-D249 PolarHBondContact NE2-OD1 3.26Å; H176-D249 VanDerWaalsContact NE2-OD1 3.13Å; H176-H304 AromaticContact CE1-CE1 3.48Å; H176-H304 PolarHBondContact CE1-CE1 3.31Å; H176-H304 VanDerWaalsContact CE1-CE1 3.48Å; H176-H304 AromaticContact CE1-ND1 3.61Å; H176-H304 AromaticContact ND1-CE1 3.58Å; H176-H304 AromaticContact ND1-ND1 3.32Å; H176-H304 PolarHBondContact ND1-ND1 2.99Å |
| 177 | A | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 2.5 Ų | 2.5 | 1% | 0.008 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -34.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E179 W180 G222 T226 W233 R234 | A177-E179 VanDerWaalsContact C-N 3.29Å; A177-E179 PolarHBondContact O-N 2.84Å; A177-W180 VanDerWaalsContact O-CD1 3.23Å; A177-W180 PolarHBondContact O-NE1 2.94Å; A177-G222 VanDerWaalsContact CB-O 3.3Å; A177-G222 WeakPolarHBondContact CB-O 3.38Å; A177-T226 HydrophobicContact CB-CG2 3.66Å; A177-W233 WeakPolarHBondContact CB-O 3.49Å; A177-R234 PolarHBondContact N-O 3.39Å |
| 178 | R | 98.8 | Very high | 98.9 | Very high | 1 Ų | 1 | 1.6 Ų | 1.6 | 0% | 0.004 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -12.9 | -178.3 | 63.6 | -165.6 | -173.2 | -179.7 | 4.2 | 115.1 | D51 F52 H176 W180 R231 F232 W233 F387 | D51-R178 IonicContact OD1-CZ 2.65Å; D51-R178 IonicContact OD1-NH1 3.13Å; D51-R178 PolarHBondContact OD1-NH1 2.9Å; D51-R178 IonicContact OD2-NH1 3.9Å; F52-R178 PolarHBondContact O-NH2 3.26Å; H176-R178 VanDerWaalsContact C-N 3.28Å; H176-R178 PolarHBondContact O-N 3.42Å; R178-W180 VanDerWaalsContact C-N 3.29Å; R178-W180 PolarHBondContact O-N 3.2Å; R178-R231 PolarHBondContact O-NH1 3.06Å; R178-F232 WeakPolarHBondContact CD-O 3.4Å; R178-F232 PolarHBondContact NH1-O 2.58Å; R178-W233 WeakPolarHBondContact CB-O 3.07Å; R178-W233 PolarHBondContact N-O 2.61Å; R178-F387 HydrophobicContact CG-CD1 4.12Å; R178-F387 HydrophobicContact CG-CD2 4.28Å; R178-F387 HydrophobicContact CG-CE1 4.39Å; R178-F387 HydrophobicContact CG-CG 4.06Å |
| 179 | E | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 1.9 Ų | 1.9 | 2% | 0.019 | 1% | 0.01 | C | C | . | . | trans | -87.1 | 59.6 | -172.1 | -65.2 | 178.3 | -160.9 | 0 | 0 | 111.7 | H176 A177 I181 S182 P183 H304 S305 F387 | H176-E179 HydrophobicContact CB-CB 4.46Å; H176-E179 VanDerWaalsContact CB-CD 3.41Å; H176-E179 HydrophobicContact CB-CG 3.86Å; H176-E179 WeakPolarHBondContact CB-OE1 3.35Å; H176-E179 IonicContact CE1-OE1 3.78Å; H176-E179 IonicContact CG-OE1 2.68Å; H176-E179 VanDerWaalsContact CG-OE1 3.3Å; H176-E179 IonicContact ND1-OE1 2.67Å; H176-E179 PolarHBondContact ND1-OE1 3.36Å; H176-E179 IonicContact ND1-OE2 3.35Å; H176-E179 PolarHBondContact O-N 3.41Å; H176-E179 VanDerWaalsContact O-N 3.16Å; A177-E179 VanDerWaalsContact C-N 3.29Å; A177-E179 PolarHBondContact O-N 2.84Å; E179-I181 PolarHBondContact O-N 2.89Å; E179-S182 WeakPolarHBondContact O-CB 3.23Å; E179-S182 PolarHBondContact O-N 3.04Å; E179-P183 WeakPolarHBondContact O-CD 3.36Å; E179-H304 WeakPolarHBondContact OE2-CA 3.37Å; E179-H304 WeakPolarHBondContact OE2-CB 3.22Å; E179-H304 IonicContact OE2-CG 3.4Å; E179-H304 IonicContact OE2-ND1 3.43Å; E179-H304 PolarHBondContact OE2-ND1 3.17Å; E179-S305 VanDerWaalsContact CB-OG 3.27Å; E179-S305 WeakPolarHBondContact CB-OG 3.4Å; E179-S305 WeakPolarHBondContact CG-O 3.33Å; E179-S305 WeakPolarHBondContact CG-OG 3.46Å; E179-S305 VanDerWaalsContact OE1-O 3.09Å; E179-S305 PolarHBondContact OE2-N 2.8Å; E179-F387 HydrophobicContact CG-CD1 3.9Å; E179-F387 HydrophobicContact CG-CE1 3.92Å | ||
| 180 | W | 98.9 | Very high | 98.9 | Very high | 5 Ų | 5 | 1.9 Ų | 1.9 | 2% | 0.019 | 1% | 0.01 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | -167.6 | -72.2 | -1.3 | 0 | 0 | 0 | 115.8 | Q104 F105 Y119 A177 R178 S182 A184 Y223 T226 W227 R231 | Q104-W180 VanDerWaalsContact OE1-CZ3 3.32Å; F105-W180 AromaticContact CE1-CZ3 3.96Å; F105-W180 HydrophobicContact CE1-CZ3 3.96Å; F105-W180 AromaticContact CZ-CH2 3.95Å; F105-W180 HydrophobicContact CZ-CH2 3.95Å; F105-W180 AromaticContact CZ-CZ3 3.6Å; F105-W180 HydrophobicContact CZ-CZ3 3.6Å; Y119-W180 HydrophobicContact CD1-CB 3.56Å; Y119-W180 HydrophobicContact CD1-CE3 4.38Å; Y119-W180 HydrophobicContact CD1-CG 4.48Å; Y119-W180 AromaticContact CD2-CE3 3.95Å; Y119-W180 HydrophobicContact CD2-CE3 3.95Å; Y119-W180 HydrophobicContact CE1-CB 3.63Å; Y119-W180 WeakPolarHBondContact CE1-O 3.49Å; Y119-W180 HydrophobicContact CG-CB 4.19Å; Y119-W180 AromaticContact CG-CE3 3.83Å; Y119-W180 HydrophobicContact CG-CE3 3.83Å; A177-W180 VanDerWaalsContact O-CD1 3.23Å; A177-W180 PolarHBondContact O-NE1 2.94Å; R178-W180 VanDerWaalsContact C-N 3.29Å; R178-W180 PolarHBondContact O-N 3.2Å; W180-S182 VanDerWaalsContact C-N 3.26Å; W180-S182 PolarHBondContact O-N 3.04Å; W180-A184 PolarHBondContact O-N 2.9Å; W180-Y223 AromaticContact CD1-CD2 3.99Å; W180-Y223 AromaticContact CD1-CE2 3.44Å; W180-Y223 VanDerWaalsContact CD1-CE2 3.44Å; W180-Y223 HydrophobicContact CG-CE2 4.16Å; W180-Y223 AromaticContact NE1-CE2 3.75Å; W180-T226 PolarHBondContact NE1-OG1 3.13Å; W180-W227 AromaticContact CE2-NE1 3.99Å; W180-W227 HydrophobicContact CH2-CD2 4.04Å; W180-W227 HydrophobicContact CH2-CE3 4.17Å; W180-W227 HydrophobicContact CH2-CH2 4.36Å; W180-W227 HydrophobicContact CH2-CZ2 4.22Å; W180-W227 HydrophobicContact CH2-CZ3 4.33Å; W180-W227 AromaticContact CZ2-CD2 3.94Å; W180-W227 HydrophobicContact CZ2-CD2 3.94Å; W180-W227 AromaticContact CZ2-CE2 3.85Å; W180-W227 HydrophobicContact CZ2-CG 4.13Å; W180-W227 HydrophobicContact CZ2-CZ2 4.38Å; W180-W227 AromaticContact CZ2-NE1 3.9Å; W180-W227 HydrophobicContact CZ3-CH2 4.38Å; W180-W227 HydrophobicContact CZ3-CZ2 4.32Å; W180-R231 VanDerWaalsContact CH2-CD 3.4Å; W180-R231 VanDerWaalsContact CH2-NE 3.26Å; W180-R231 VanDerWaalsContact CZ3-NE 3.33Å |
| 181 | I | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 5.2 Ų | 5.2 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -68.5 | -26.1 | 176.8 | -169.5 | 59 | 0 | 0 | 0 | 112.4 | E179 A184 F185 S305 L379 L389 I394 T397 | E179-I181 PolarHBondContact O-N 2.89Å; I181-A184 HydrophobicContact CD1-CB 4.4Å; I181-A184 PolarHBondContact O-N 3.1Å; I181-F185 PolarHBondContact O-N 3.43Å; I181-S305 VanDerWaalsContact CG2-CB 3.41Å; I181-S305 WeakPolarHBondContact CG2-OG 3.31Å; I181-L379 HydrophobicContact CG1-CD1 4.23Å; I181-L379 HydrophobicContact CG2-CB 4.14Å; I181-L379 HydrophobicContact CG2-CD1 4.32Å; I181-L389 HydrophobicContact CB-CD2 4.27Å; I181-L389 HydrophobicContact CD1-CD2 4.08Å; I181-L389 HydrophobicContact CG1-CD2 3.89Å; I181-I394 HydrophobicContact CD1-CB 4.29Å; I181-I394 HydrophobicContact CD1-CG1 3.93Å; I181-I394 HydrophobicContact CD1-CG2 4.42Å; I181-T397 HydrophobicContact CD1-CG2 4.11Å; I181-T397 HydrophobicContact CG1-CG2 3.75Å |
| 182 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.7 | -56.8 | 177.4 | 160.6 | 0 | 0 | 0 | 0 | 111.6 | C173 G174 E179 W180 A184 F185 C186 I303 | C173-S182 WeakPolarHBondContact CA-OG 3.2Å; C173-S182 WeakPolarHBondContact CB-OG 3.46Å; C173-S182 PolarHBondContact SG-O 2.98Å; G174-S182 PolarHBondContact N-OG 3.43Å; E179-S182 WeakPolarHBondContact O-CB 3.23Å; E179-S182 PolarHBondContact O-N 3.04Å; W180-S182 VanDerWaalsContact C-N 3.26Å; W180-S182 PolarHBondContact O-N 3.04Å; S182-A184 PolarHBondContact O-N 2.9Å; S182-F185 WeakPolarHBondContact O-CB 3.2Å; S182-F185 PolarHBondContact O-N 3.13Å; S182-C186 PolarHBondContact O-N 2.03Å; S182-C186 VanDerWaalsContact O-N 3.14Å; S182-I303 VanDerWaalsContact CB-O 3.26Å; S182-I303 WeakPolarHBondContact CB-O 3.27Å; S182-I303 PolarHBondContact OG-O 2.93Å |
| 183 | P | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.006 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -55.7 | -35.9 | 172 | -31.1 | 37.9 | 0 | 0 | 0 | 114.4 | E179 F185 C186 Q187 P216 V217 Y223 | E179-P183 WeakPolarHBondContact O-CD 3.36Å; P183-F185 VanDerWaalsContact C-N 3.33Å; P183-C186 PolarHBondContact O-N 3.3Å; P183-Q187 WeakPolarHBondContact O-CG 3.37Å; P183-Q187 PolarHBondContact O-N 3.09Å; P183-Q187 PolarHBondContact O-NE2 3.43Å; P183-P216 WeakPolarHBondContact CA-O 3.43Å; P183-P216 WeakPolarHBondContact CB-O 3.31Å; P183-V217 HydrophobicContact CB-CG2 3.97Å; P183-V217 HydrophobicContact CG-CG2 4.14Å; P183-Y223 HydrophobicContact CB-CE2 4.45Å; P183-Y223 HydrophobicContact CG-CD2 4.4Å; P183-Y223 HydrophobicContact CG-CE2 4.02Å |
| 184 | A | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 8 Ų | 8 | 4% | 0.041 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.8 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y119 W180 I181 S182 Q187 W188 I394 | Y119-A184 HydrophobicContact CD1-CB 4.41Å; Y119-A184 HydrophobicContact CE1-CB 4.32Å; W180-A184 PolarHBondContact O-N 2.9Å; I181-A184 HydrophobicContact CD1-CB 4.4Å; I181-A184 PolarHBondContact O-N 3.1Å; S182-A184 PolarHBondContact O-N 2.9Å; A184-Q187 PolarHBondContact O-N 3.23Å; A184-W188 PolarHBondContact O-N 3.07Å; A184-I394 HydrophobicContact CB-CG2 4.07Å |
| 185 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | 174.2 | 171.8 | -102.1 | 0 | 0 | 0 | 112.6 | I181 S182 P183 Q187 W188 F189 I303 L379 C398 T401 I405 | I181-F185 PolarHBondContact O-N 3.43Å; S182-F185 WeakPolarHBondContact O-CB 3.2Å; S182-F185 PolarHBondContact O-N 3.13Å; P183-F185 VanDerWaalsContact C-N 3.33Å; F185-Q187 PolarHBondContact O-N 2.96Å; F185-W188 CarbonylContact O-C 3.59Å; F185-W188 WeakPolarHBondContact O-CA 3.37Å; F185-W188 WeakPolarHBondContact O-CB 3.49Å; F185-W188 PolarHBondContact O-N 3.47Å; F185-F189 HydrophobicContact CZ-CB 4.34Å; F185-F189 HydrophobicContact CZ-CD2 4.38Å; F185-F189 PolarHBondContact O-N 3.03Å; F185-I303 HydrophobicContact CD1-CB 4.44Å; F185-I303 HydrophobicContact CD1-CD1 4.35Å; F185-I303 HydrophobicContact CD1-CG1 3.92Å; F185-I303 HydrophobicContact CD1-CG2 3.93Å; F185-I303 HydrophobicContact CE1-CD1 4.13Å; F185-I303 HydrophobicContact CE1-CG1 4.06Å; F185-I303 HydrophobicContact CG-CG2 4.5Å; F185-L379 HydrophobicContact CB-CD1 4.01Å; F185-L379 HydrophobicContact CG-CD1 4.42Å; F185-C398 HydrophobicContact CD2-CB 4.19Å; F185-T401 HydrophobicContact CD1-CG2 4.39Å; F185-T401 HydrophobicContact CD2-CG2 3.73Å; F185-T401 HydrophobicContact CE1-CG2 4.13Å; F185-T401 HydrophobicContact CE2-CG2 3.43Å; F185-T401 VanDerWaalsContact CE2-CG2 3.43Å; F185-T401 HydrophobicContact CG-CG2 4.21Å; F185-T401 HydrophobicContact CZ-CG2 3.67Å; F185-I405 HydrophobicContact CE1-CG1 4.26Å; F185-I405 HydrophobicContact CZ-CG1 3.74Å |
| 186 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58 | -38.3 | 177.3 | -87.1 | 0 | 0 | 0 | 0 | 112.2 | C173 S182 P183 V190 I214 P216 | C173-C186 HydrophobicContact CB-CB 3.77Å; C173-C186 WeakPolarHBondContact CB-SG 3.49Å; C173-C186 WeakPolarHBondContact SG-CB 3.49Å; C173-C186 CovalentContact SG-SG 2.03Å; C173-C186 PolarHBondContact SG-SG 2.87Å; S182-C186 PolarHBondContact O-N 2.03Å; S182-C186 VanDerWaalsContact O-N 3.14Å; P183-C186 PolarHBondContact O-N 3.3Å; C186-V190 WeakPolarHBondContact O-CG2 3.24Å; C186-V190 PolarHBondContact O-N 3.47Å; C186-I214 HydrophobicContact CB-CG2 3.85Å; C186-P216 HydrophobicContact CB-CB 4.17Å |
| 187 | Q | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.3 | -69.5 | 164.5 | 79.9 | 0 | 0 | 111.9 | H114 Y116 N120 W128 P183 A184 F185 V190 R191 | H114-Q187 PolarHBondContact NE2-OE1 3.31Å; Y116-Q187 HydrophobicContact CD1-CB 4.1Å; Y116-Q187 HydrophobicContact CE1-CB 4.27Å; Y116-Q187 VanDerWaalsContact CE1-O 3.27Å; Y116-Q187 WeakPolarHBondContact CE1-O 3.47Å; N120-Q187 PolarHBondContact ND2-OE1 3.02Å; W128-Q187 HydrophobicContact CD2-CG 4.4Å; W128-Q187 HydrophobicContact CE3-CG 3.98Å; W128-Q187 HydrophobicContact CH2-CB 4.11Å; W128-Q187 HydrophobicContact CH2-CG 3.83Å; W128-Q187 HydrophobicContact CZ2-CB 4.18Å; W128-Q187 HydrophobicContact CZ2-CG 4.22Å; W128-Q187 HydrophobicContact CZ3-CB 4.47Å; W128-Q187 HydrophobicContact CZ3-CG 3.69Å; P183-Q187 WeakPolarHBondContact O-CG 3.37Å; P183-Q187 PolarHBondContact O-N 3.09Å; P183-Q187 PolarHBondContact O-NE2 3.43Å; A184-Q187 PolarHBondContact O-N 3.23Å; F185-Q187 PolarHBondContact O-N 2.96Å; Q187-V190 PolarHBondContact O-N 2.93Å; Q187-R191 PolarHBondContact O-N 2.67Å |
| 188 | W | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.4 | -170.6 | -83.6 | 0 | 0 | 0 | 112.9 | V117 A184 F185 V190 R191 E192 R395 C398 E399 | V117-W188 HydrophobicContact CG1-CH2 4.47Å; V117-W188 HydrophobicContact CG1-CZ3 3.75Å; A184-W188 PolarHBondContact O-N 3.07Å; F185-W188 CarbonylContact O-C 3.59Å; F185-W188 WeakPolarHBondContact O-CA 3.37Å; F185-W188 WeakPolarHBondContact O-CB 3.49Å; F185-W188 PolarHBondContact O-N 3.47Å; W188-V190 VanDerWaalsContact C-N 3.33Å; W188-V190 PolarHBondContact O-N 3.18Å; W188-R191 VanDerWaalsContact CZ2-NH1 3.32Å; W188-R191 VanDerWaalsContact O-CB 3.31Å; W188-R191 WeakPolarHBondContact O-CB 3.33Å; W188-R191 PolarHBondContact O-N 2.86Å; W188-E192 WeakPolarHBondContact O-CG 3.28Å; W188-E192 PolarHBondContact O-N 3.32Å; W188-R395 HydrophobicContact CH2-CB 4.03Å; W188-R395 HydrophobicContact CH2-CG 3.63Å; W188-R395 HydrophobicContact CZ2-CG 4.1Å; W188-R395 HydrophobicContact CZ3-CB 4.27Å; W188-R395 HydrophobicContact CZ3-CG 4.37Å; W188-C398 HydrophobicContact CB-CB 3.56Å; W188-C398 VanDerWaalsContact CD1-CB 3.42Å; W188-C398 HydrophobicContact CD2-CB 3.56Å; W188-C398 HydrophobicContact CE3-CB 4.23Å; W188-C398 HydrophobicContact CG-CB 3.21Å; W188-E399 HydrophobicContact CZ2-CG 3.72Å |
| 189 | F | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -49.6 | 175.2 | 179.2 | -84.8 | 0 | 0 | 0 | 110.8 | I171 F185 R191 E192 A193 F212 I214 L402 I405 | I171-F189 HydrophobicContact CD1-CD2 4.47Å; I171-F189 HydrophobicContact CD1-CE2 4.2Å; I171-F189 HydrophobicContact CD1-CZ 4.38Å; F185-F189 HydrophobicContact CZ-CB 4.34Å; F185-F189 HydrophobicContact CZ-CD2 4.38Å; F185-F189 PolarHBondContact O-N 3.03Å; F189-R191 PolarHBondContact O-N 2.9Å; F189-E192 PolarHBondContact O-N 2.9Å; F189-A193 WeakPolarHBondContact O-CB 3.19Å; F189-A193 PolarHBondContact O-N 2.73Å; F189-F212 HydrophobicContact CE1-CB 4.05Å; F189-F212 HydrophobicContact CE1-CD1 4.16Å; F189-F212 HydrophobicContact CE1-CG 4.05Å; F189-F212 HydrophobicContact CE2-CD1 4.35Å; F189-F212 HydrophobicContact CE2-CE1 4.38Å; F189-F212 HydrophobicContact CZ-CB 4.26Å; F189-F212 AromaticContact CZ-CD1 3.52Å; F189-F212 HydrophobicContact CZ-CD1 3.52Å; F189-F212 HydrophobicContact CZ-CD2 4.28Å; F189-F212 AromaticContact CZ-CE1 3.82Å; F189-F212 HydrophobicContact CZ-CE1 3.82Å; F189-F212 AromaticContact CZ-CG 3.76Å; F189-F212 HydrophobicContact CZ-CG 3.76Å; F189-F212 HydrophobicContact CZ-CZ 4.32Å; F189-I214 HydrophobicContact CD1-CD1 3.61Å; F189-I214 HydrophobicContact CD1-CG1 3.9Å; F189-I214 HydrophobicContact CE1-CD1 3.63Å; F189-I214 HydrophobicContact CE1-CG1 4.04Å; F189-I214 HydrophobicContact CG-CD1 4.38Å; F189-I214 HydrophobicContact CZ-CD1 4.4Å; F189-L402 HydrophobicContact CD2-CD1 3.61Å; F189-L402 HydrophobicContact CE2-CD1 4.03Å; F189-I405 HydrophobicContact CD2-CG2 4.18Å; F189-I405 HydrophobicContact CE2-CG2 3.77Å |
| 190 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | W128 V132 I140 L157 V159 C186 Q187 W188 E192 A193 V194 I214 | W128-V190 HydrophobicContact CH2-CB 3.92Å; W128-V190 HydrophobicContact CH2-CG1 4.16Å; W128-V190 HydrophobicContact CH2-CG2 3.95Å; W128-V190 HydrophobicContact CZ2-CB 3.77Å; W128-V190 HydrophobicContact CZ2-CG1 3.79Å; W128-V190 HydrophobicContact CZ2-CG2 4.33Å; V132-V190 HydrophobicContact CG1-CG1 4.26Å; V132-V190 HydrophobicContact CG2-CG1 3.88Å; I140-V190 HydrophobicContact CD1-CG1 3.66Å; L157-V190 HydrophobicContact CD1-CG1 4.38Å; L157-V190 HydrophobicContact CD1-CG2 4.04Å; V159-V190 HydrophobicContact CG2-CG2 4.14Å; C186-V190 WeakPolarHBondContact O-CG2 3.24Å; C186-V190 PolarHBondContact O-N 3.47Å; Q187-V190 PolarHBondContact O-N 2.93Å; W188-V190 VanDerWaalsContact C-N 3.33Å; W188-V190 PolarHBondContact O-N 3.18Å; V190-E192 VanDerWaalsContact C-N 3.32Å; V190-E192 PolarHBondContact O-N 2.8Å; V190-A193 PolarHBondContact O-N 2.82Å; V190-V194 WeakPolarHBondContact O-CG2 3.39Å; V190-V194 PolarHBondContact O-N 3.16Å; V190-I214 HydrophobicContact CG2-CB 4.29Å; V190-I214 HydrophobicContact CG2-CG1 4.23Å; V190-I214 HydrophobicContact CG2-CG2 4.03Å |
| 191 | R | 98.8 | Very high | 98.5 | Very high | 70 Ų | 70 | 32.2 Ų | 32.2 | 26% | 0.264 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.7 | -51 | 173.3 | -176.4 | -166.3 | 172.5 | -103.5 | -19.3 | 111.4 | Y116 Q187 W188 F189 V194 R195 | Y116-R191 HydrophobicContact CD1-CB 3.75Å; Y116-R191 HydrophobicContact CD1-CG 4.17Å; Y116-R191 HydrophobicContact CD2-CB 4.32Å; Y116-R191 VanDerWaalsContact CD2-CD 3.47Å; Y116-R191 HydrophobicContact CD2-CG 3.85Å; Y116-R191 HydrophobicContact CE1-CB 3.51Å; Y116-R191 HydrophobicContact CE1-CG 4.09Å; Y116-R191 HydrophobicContact CE2-CB 4.09Å; Y116-R191 HydrophobicContact CE2-CG 3.72Å; Y116-R191 HydrophobicContact CG-CB 4.15Å; Y116-R191 VanDerWaalsContact CG-CD 3.47Å; Y116-R191 HydrophobicContact CG-CG 4.06Å; Q187-R191 PolarHBondContact O-N 2.67Å; W188-R191 VanDerWaalsContact CZ2-NH1 3.32Å; W188-R191 VanDerWaalsContact O-CB 3.31Å; W188-R191 WeakPolarHBondContact O-CB 3.33Å; W188-R191 PolarHBondContact O-N 2.86Å; F189-R191 PolarHBondContact O-N 2.9Å; R191-V194 PolarHBondContact O-N 2.9Å; R191-R195 WeakPolarHBondContact O-CB 3.43Å; R191-R195 PolarHBondContact O-N 3.44Å |
| 192 | E | 98.7 | Very high | 98.4 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71 | -37.7 | -175.1 | -70.7 | -64.5 | 109.2 | 0 | 0 | 111.5 | W188 F189 V190 V194 R195 T196 L402 | W188-E192 WeakPolarHBondContact O-CG 3.28Å; W188-E192 PolarHBondContact O-N 3.32Å; F189-E192 PolarHBondContact O-N 2.9Å; V190-E192 VanDerWaalsContact C-N 3.32Å; V190-E192 PolarHBondContact O-N 2.8Å; E192-V194 PolarHBondContact O-N 3.42Å; E192-R195 VanDerWaalsContact CD-NE 3.35Å; E192-R195 PolarHBondContact O-N 3.21Å; E192-R195 WeakPolarHBondContact OE1-CD 3.27Å; E192-R195 IonicContact OE1-CZ 3.72Å; E192-R195 IonicContact OE1-NE 3.5Å; E192-R195 PolarHBondContact OE1-NE 2.86Å; E192-R195 IonicContact OE1-NH2 2.76Å; E192-R195 IonicContact OE2-CZ 3.85Å; E192-R195 IonicContact OE2-NE 3.66Å; E192-R195 PolarHBondContact OE2-NE 3.46Å; E192-R195 IonicContact OE2-NH2 3.16Å; E192-R195 PolarHBondContact OE2-NH2 3.46Å; E192-T196 WeakPolarHBondContact O-CB 3.34Å; E192-T196 WeakPolarHBondContact O-CG2 3.45Å; E192-T196 PolarHBondContact O-N 3.35Å; E192-T196 PolarHBondContact O-OG1 3.4Å; E192-L402 HydrophobicContact CB-CD2 3.5Å; E192-L402 HydrophobicContact CG-CD2 3.6Å |
| 193 | A | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.2 | -50.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V159 F189 V190 Y197 L207 | V159-A193 HydrophobicContact CG1-CB 3.8Å; F189-A193 WeakPolarHBondContact O-CB 3.19Å; F189-A193 PolarHBondContact O-N 2.73Å; V190-A193 PolarHBondContact O-N 2.82Å; A193-Y197 WeakPolarHBondContact O-CB 3.22Å; A193-Y197 PolarHBondContact O-N 3.35Å; A193-Y197 VanDerWaalsContact O-N 3.1Å; A193-L207 HydrophobicContact CB-CD1 3.94Å |
| 194 | V | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 36.9 Ų | 36.9 | 25% | 0.248 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -46.3 | 177.7 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | V132 N136 I140 V190 R191 E192 T196 | V132-V194 HydrophobicContact CG2-CG2 4.34Å; N136-V194 HydrophobicContact CB-CG2 4.29Å; N136-V194 WeakPolarHBondContact OD1-CG1 3.47Å; I140-V194 HydrophobicContact CD1-CG2 3.45Å; I140-V194 VanDerWaalsContact CD1-CG2 3.45Å; V190-V194 WeakPolarHBondContact O-CG2 3.39Å; V190-V194 PolarHBondContact O-N 3.16Å; R191-V194 PolarHBondContact O-N 2.9Å; E192-V194 PolarHBondContact O-N 3.42Å; V194-T196 VanDerWaalsContact C-N 3.3Å; V194-T196 PolarHBondContact O-N 2.92Å |
| 195 | R | 98.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 40.7 Ų | 40.7 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.9 | -35.1 | -175.2 | -172 | -169.1 | 68.5 | 69.7 | -3.9 | 112.6 | R191 E192 E200 | R191-R195 WeakPolarHBondContact O-CB 3.43Å; R191-R195 PolarHBondContact O-N 3.44Å; E192-R195 VanDerWaalsContact CD-NE 3.35Å; E192-R195 PolarHBondContact O-N 3.21Å; E192-R195 WeakPolarHBondContact OE1-CD 3.27Å; E192-R195 IonicContact OE1-CZ 3.72Å; E192-R195 IonicContact OE1-NE 3.5Å; E192-R195 PolarHBondContact OE1-NE 2.86Å; E192-R195 IonicContact OE1-NH2 2.76Å; E192-R195 IonicContact OE2-CZ 3.85Å; E192-R195 IonicContact OE2-NE 3.66Å; E192-R195 PolarHBondContact OE2-NE 3.46Å; E192-R195 IonicContact OE2-NH2 3.16Å; E192-R195 PolarHBondContact OE2-NH2 3.46Å; R195-E200 IonicContact NH2-OE1 2.71Å; R195-E200 PolarHBondContact NH2-OE1 2.86Å |
| 196 | T | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -109.1 | -12.8 | -167.8 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | E192 V194 G198 S199 E200 I203 | E192-T196 WeakPolarHBondContact O-CB 3.34Å; E192-T196 WeakPolarHBondContact O-CG2 3.45Å; E192-T196 PolarHBondContact O-N 3.35Å; E192-T196 PolarHBondContact O-OG1 3.4Å; V194-T196 VanDerWaalsContact C-N 3.3Å; V194-T196 PolarHBondContact O-N 2.92Å; T196-G198 PolarHBondContact O-N 3.43Å; T196-S199 WeakPolarHBondContact CA-OG 3.23Å; T196-S199 PolarHBondContact O-N 3.29Å; T196-S199 PolarHBondContact O-OG 3.01Å; T196-S199 VanDerWaalsContact O-OG 3.07Å; T196-E200 HydrophobicContact CG2-CG 4.17Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.45Å; T196-E200 PolarHBondContact O-N 2.96Å; T196-I203 WeakPolarHBondContact OG1-CB 3.04Å; T196-I203 WeakPolarHBondContact OG1-CG1 3.34Å; T196-I203 VanDerWaalsContact OG1-CG2 3.31Å; T196-I203 WeakPolarHBondContact OG1-CG2 3.44Å |
| 197 | Y | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 127.9 | 173.2 | -179.2 | -94.5 | 0 | 0 | 0 | 111.2 | L139 A193 S199 T204 L207 N208 | L139-Y197 HydrophobicContact CD1-CD1 3.6Å; L139-Y197 HydrophobicContact CD1-CE1 4.24Å; L139-Y197 HydrophobicContact CD1-CG 3.76Å; L139-Y197 HydrophobicContact CD2-CD1 3.9Å; L139-Y197 HydrophobicContact CD2-CD2 4.01Å; L139-Y197 HydrophobicContact CD2-CE1 3.81Å; L139-Y197 HydrophobicContact CD2-CE2 3.91Å; L139-Y197 HydrophobicContact CD2-CG 3.99Å; L139-Y197 HydrophobicContact CG-CD1 4.25Å; L139-Y197 HydrophobicContact CG-CE1 4.43Å; A193-Y197 WeakPolarHBondContact O-CB 3.22Å; A193-Y197 PolarHBondContact O-N 3.35Å; A193-Y197 VanDerWaalsContact O-N 3.1Å; Y197-S199 VanDerWaalsContact C-N 3.29Å; Y197-S199 PolarHBondContact O-N 2.98Å; Y197-T204 HydrophobicContact CD2-CG2 4.37Å; Y197-T204 HydrophobicContact CE2-CG2 4.11Å; Y197-L207 HydrophobicContact CD2-CB 3.84Å; Y197-L207 HydrophobicContact CD2-CD1 3.81Å; Y197-L207 HydrophobicContact CD2-CG 4.41Å; Y197-L207 HydrophobicContact CE2-CB 4.04Å; Y197-L207 HydrophobicContact CG-CD1 4.32Å; Y197-N208 PolarHBondContact OH-OD1 2.03Å |
| 198 | G | 97.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 44.3 Ų | 44.3 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | -9.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115 | T196 T204 | T196-G198 PolarHBondContact O-N 3.43Å; G198-T204 WeakPolarHBondContact CA-OG1 3.4Å; G198-T204 PolarHBondContact N-OG1 3.01Å |
| 199 | S | 97.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -36.4 | 177.3 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | T196 Y197 | T196-S199 WeakPolarHBondContact CA-OG 3.23Å; T196-S199 PolarHBondContact O-N 3.29Å; T196-S199 PolarHBondContact O-OG 3.01Å; T196-S199 VanDerWaalsContact O-OG 3.07Å; Y197-S199 VanDerWaalsContact C-N 3.29Å; Y197-S199 PolarHBondContact O-N 2.98Å |
| 200 | E | 97.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -102.5 | 122.4 | 172.5 | -65.8 | -177.2 | -153.1 | 0 | 0 | 110.1 | R195 T196 Q202 I203 T204 | R195-E200 IonicContact NH2-OE1 2.71Å; R195-E200 PolarHBondContact NH2-OE1 2.86Å; T196-E200 HydrophobicContact CG2-CG 4.17Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.45Å; T196-E200 PolarHBondContact O-N 2.96Å; E200-Q202 VanDerWaalsContact C-N 3.31Å; E200-Q202 PolarHBondContact O-N 3.38Å; E200-I203 PolarHBondContact O-N 3.35Å; E200-T204 WeakPolarHBondContact O-CB 3.45Å; E200-T204 PolarHBondContact O-N 3.43Å; E200-T204 PolarHBondContact O-OG1 2.86Å |
| 201 | I | 97.4 | Very high | 98.2 | Very high | 124 Ų | 124 | 49.1 Ų | 49.1 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.6 | -42.6 | -175.2 | -172.6 | 61.2 | 0 | 0 | 0 | 112.1 | T204 E205 | I201-T204 PolarHBondContact O-N 2.86Å; I201-E205 HydrophobicContact CD1-CG 4.2Å; I201-E205 HydrophobicContact CG1-CG 4.43Å; I201-E205 WeakPolarHBondContact O-CG 3.4Å; I201-E205 PolarHBondContact O-N 2.8Å |
| 202 | Q | 96.5 | Very high | 98.2 | Very high | 72 Ų | 72 | 46 Ų | 46 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.4 | -53.6 | -177.8 | -172.6 | -174.2 | 31.9 | 0 | 0 | 111.9 | E200 T204 E205 L206 S410 | E200-Q202 VanDerWaalsContact C-N 3.31Å; E200-Q202 PolarHBondContact O-N 3.38Å; Q202-T204 VanDerWaalsContact C-N 3.3Å; Q202-T204 PolarHBondContact O-N 3.14Å; Q202-E205 PolarHBondContact O-N 3.02Å; Q202-L206 HydrophobicContact CG-CD1 4.16Å; Q202-L206 WeakPolarHBondContact O-CB 3.38Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.3Å; Q202-L206 PolarHBondContact O-N 3.34Å; Q202-S410 PolarHBondContact NE2-OG 2.96Å |
| 203 | I | 97.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.036 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -38.4 | 178.4 | -74.3 | -66.9 | 0 | 0 | 0 | 111.1 | T196 E200 E205 L206 L207 K406 | T196-I203 WeakPolarHBondContact OG1-CB 3.04Å; T196-I203 WeakPolarHBondContact OG1-CG1 3.34Å; T196-I203 VanDerWaalsContact OG1-CG2 3.31Å; T196-I203 WeakPolarHBondContact OG1-CG2 3.44Å; E200-I203 PolarHBondContact O-N 3.35Å; I203-E205 PolarHBondContact O-N 3.04Å; I203-L206 HydrophobicContact CD1-CD1 4.36Å; I203-L206 PolarHBondContact O-N 3.12Å; I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.09Å; I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 WeakPolarHBondContact O-CG 3.35Å; I203-L207 PolarHBondContact O-N 3.3Å; I203-K406 HydrophobicContact CD1-CD 3.52Å; I203-K406 HydrophobicContact CD1-CG 3.82Å; I203-K406 HydrophobicContact CG1-CD 3.85Å |
| 204 | T | 98.4 | Very high | 98.2 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 178 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | Y197 G198 E200 I201 Q202 N208 | Y197-T204 HydrophobicContact CD2-CG2 4.37Å; Y197-T204 HydrophobicContact CE2-CG2 4.11Å; G198-T204 WeakPolarHBondContact CA-OG1 3.4Å; G198-T204 PolarHBondContact N-OG1 3.01Å; E200-T204 WeakPolarHBondContact O-CB 3.45Å; E200-T204 PolarHBondContact O-N 3.43Å; E200-T204 PolarHBondContact O-OG1 2.86Å; I201-T204 PolarHBondContact O-N 2.86Å; Q202-T204 VanDerWaalsContact C-N 3.3Å; Q202-T204 PolarHBondContact O-N 3.14Å; T204-N208 VanDerWaalsContact O-CB 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.35Å; T204-N208 PolarHBondContact O-N 3.07Å; T204-N208 PolarHBondContact O-ND2 3.11Å |
| 205 | E | 98.2 | Very high | 98.3 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.4 | -44.5 | 176.4 | -74.7 | -166.3 | -159 | 0 | 0 | 112.6 | I201 Q202 I203 L207 N208 K209 | I201-E205 HydrophobicContact CD1-CG 4.2Å; I201-E205 HydrophobicContact CG1-CG 4.43Å; I201-E205 WeakPolarHBondContact O-CG 3.4Å; I201-E205 PolarHBondContact O-N 2.8Å; Q202-E205 PolarHBondContact O-N 3.02Å; I203-E205 PolarHBondContact O-N 3.04Å; E205-L207 PolarHBondContact O-N 3.48Å; E205-N208 PolarHBondContact O-N 3.34Å; E205-K209 WeakPolarHBondContact O-CB 3.05Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.24Å; E205-K209 IonicContact OE2-NZ 3.98Å; E205-K209 PolarHBondContact OE2-NZ 2.63Å |
| 206 | L | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -51.2 | 177.2 | -72.2 | 173.8 | 0 | 0 | 0 | 110.6 | Q202 I203 N208 K209 L210 F212 K406 A409 L413 | Q202-L206 HydrophobicContact CG-CD1 4.16Å; Q202-L206 WeakPolarHBondContact O-CB 3.38Å; Q202-L206 VanDerWaalsContact O-CG 3.26Å; Q202-L206 WeakPolarHBondContact O-CG 3.3Å; Q202-L206 PolarHBondContact O-N 3.34Å; I203-L206 HydrophobicContact CD1-CD1 4.36Å; I203-L206 PolarHBondContact O-N 3.12Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 3.07Å; L206-K209 PolarHBondContact O-N 2.73Å; L206-L210 HydrophobicContact CD2-CD1 3.89Å; L206-L210 WeakPolarHBondContact O-CA 3.41Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 PolarHBondContact O-N 2.91Å; L206-F212 HydrophobicContact CB-CE2 4.32Å; L206-F212 HydrophobicContact CB-CZ 4.43Å; L206-K406 HydrophobicContact CD1-CB 4.43Å; L206-K406 HydrophobicContact CD1-CG 4.37Å; L206-A409 HydrophobicContact CD1-CB 4.27Å; L206-A409 HydrophobicContact CD2-CB 3.92Å; L206-L413 HydrophobicContact CD2-CD2 4.24Å |
| 207 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72 | -23.6 | -177.7 | -64.3 | -179.2 | 0 | 0 | 0 | 113.6 | V159 K161 K166 A193 Y197 I203 E205 F212 | V159-L207 HydrophobicContact CG1-CD2 4.05Å; K161-L207 PolarHBondContact N-O 2.92Å; K166-L207 PolarHBondContact NZ-O 3.42Å; A193-L207 HydrophobicContact CB-CD1 3.94Å; Y197-L207 HydrophobicContact CD2-CB 3.84Å; Y197-L207 HydrophobicContact CD2-CD1 3.81Å; Y197-L207 HydrophobicContact CD2-CG 4.41Å; Y197-L207 HydrophobicContact CE2-CB 4.04Å; Y197-L207 HydrophobicContact CG-CD1 4.32Å; I203-L207 HydrophobicContact CG2-CD1 3.66Å; I203-L207 HydrophobicContact CG2-CG 4.09Å; I203-L207 WeakPolarHBondContact O-CB 3.37Å; I203-L207 WeakPolarHBondContact O-CG 3.35Å; I203-L207 PolarHBondContact O-N 3.3Å; E205-L207 PolarHBondContact O-N 3.48Å; L207-F212 HydrophobicContact CD2-CD2 3.62Å; L207-F212 HydrophobicContact CD2-CE2 3.8Å |
| 208 | N | 98.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 35.6 Ų | 35.6 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72.1 | -36.4 | 171.9 | -79.1 | -22.1 | 0 | 0 | 0 | 112.3 | K166 Y197 T204 E205 L206 | K166-N208 WeakPolarHBondContact CE-O 3.42Å; Y197-N208 PolarHBondContact OH-OD1 2.03Å; T204-N208 VanDerWaalsContact O-CB 3.29Å; T204-N208 WeakPolarHBondContact O-CB 3.35Å; T204-N208 PolarHBondContact O-N 3.07Å; T204-N208 PolarHBondContact O-ND2 3.11Å; E205-N208 PolarHBondContact O-N 3.34Å; L206-N208 VanDerWaalsContact C-N 3.31Å; L206-N208 PolarHBondContact O-N 3.07Å |
| 209 | K | 98.6 | Very high | 98.4 | Very high | 105 Ų | 105 | 32.6 Ų | 32.6 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -102.2 | -27.3 | -171.7 | -65.2 | 170.6 | 176.6 | 172.3 | 0 | 114 | P167 E205 L206 L413 | P167-K209 WeakPolarHBondContact CD-O 3.5Å; E205-K209 WeakPolarHBondContact O-CB 3.05Å; E205-K209 WeakPolarHBondContact O-CG 3.47Å; E205-K209 PolarHBondContact O-N 3.24Å; E205-K209 IonicContact OE2-NZ 3.98Å; E205-K209 PolarHBondContact OE2-NZ 2.63Å; L206-K209 PolarHBondContact O-N 2.73Å; K209-L413 HydrophobicContact CB-CD1 3.63Å; K209-L413 HydrophobicContact CB-CD2 4.13Å; K209-L413 HydrophobicContact CD-CD1 4.04Å; K209-L413 HydrophobicContact CD-CD2 3.68Å; K209-L413 HydrophobicContact CD-CG 4.34Å; K209-L413 HydrophobicContact CG-CD1 4.44Å |
| 210 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -116 | 148.1 | 179 | -67.3 | 163.2 | 0 | 0 | 0 | 111.4 | K166 P167 I169 L206 F212 A409 L413 | K166-L210 VanDerWaalsContact CE-O 3.3Å; K166-L210 WeakPolarHBondContact CE-O 3.42Å; K166-L210 VanDerWaalsContact NZ-C 3.32Å; K166-L210 PolarHBondContact NZ-O 3.01Å; P167-L210 HydrophobicContact CB-CD2 3.93Å; P167-L210 HydrophobicContact CG-CD2 3.76Å; P167-L210 WeakPolarHBondContact O-CA 3.19Å; I169-L210 HydrophobicContact CD1-CD1 3.93Å; I169-L210 HydrophobicContact CG1-CD2 4.42Å; L206-L210 HydrophobicContact CD2-CD1 3.89Å; L206-L210 WeakPolarHBondContact O-CA 3.41Å; L206-L210 WeakPolarHBondContact O-CB 3.43Å; L206-L210 PolarHBondContact O-N 2.91Å; L210-F212 HydrophobicContact CB-CD2 4.5Å; L210-F212 HydrophobicContact CB-CE2 3.96Å; L210-F212 HydrophobicContact CB-CZ 4.42Å; L210-F212 HydrophobicContact CD1-CE2 4.5Å; L210-F212 HydrophobicContact CD1-CZ 4.2Å; L210-A409 HydrophobicContact CD1-CB 4.32Å; L210-L413 HydrophobicContact CD1-CB 4.14Å; L210-L413 HydrophobicContact CG-CD1 4.26Å | ||
| 211 | D | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.6 | 159.5 | -71.5 | -34.5 | 0 | 0 | 0 | 109.7 | K158 K166 P167 A168 I169 | K158-D211 WeakPolarHBondContact CE-OD1 3.4Å; K158-D211 WeakPolarHBondContact CE-OD2 3.26Å; K158-D211 IonicContact NZ-OD1 2.78Å; K158-D211 IonicContact NZ-OD2 3.52Å; K158-D211 PolarHBondContact NZ-OD2 2.91Å; K166-D211 WeakPolarHBondContact CE-OD1 3.47Å; K166-D211 IonicContact NZ-OD1 3.35Å; K166-D211 PolarHBondContact NZ-OD1 2.92Å; P167-D211 PolarHBondContact O-N 2.85Å; A168-D211 CarbonylContact C-O 3.6Å; A168-D211 WeakPolarHBondContact CA-O 3.02Å; A168-D211 HydrophobicContact CB-CB 4.2Å; I169-D211 PolarHBondContact N-O 2.85Å |
| 212 | F | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 19.3 Ų | 19.3 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.1 | 170.8 | -66 | -98.3 | 0 | 0 | 0 | 109.1 | V159 I169 I171 F189 L206 L207 L210 I214 A409 | V159-F212 HydrophobicContact CB-CB 4.28Å; V159-F212 PolarHBondContact N-O 2.95Å; V159-F212 PolarHBondContact O-N 3.04Å; I169-F212 HydrophobicContact CB-CD1 3.87Å; I169-F212 HydrophobicContact CB-CE1 4.02Å; I169-F212 HydrophobicContact CD1-CE1 3.86Å; I169-F212 HydrophobicContact CD1-CZ 4.29Å; I169-F212 HydrophobicContact CG1-CE1 4.39Å; I169-F212 HydrophobicContact CG2-CD1 4.13Å; I169-F212 HydrophobicContact CG2-CE1 4.27Å; I169-F212 CarbonylContact O-C 3.54Å; I169-F212 WeakPolarHBondContact O-CA 3.42Å; I171-F212 HydrophobicContact CD1-CD1 4.08Å; F189-F212 HydrophobicContact CE1-CB 4.05Å; F189-F212 HydrophobicContact CE1-CD1 4.16Å; F189-F212 HydrophobicContact CE1-CG 4.05Å; F189-F212 HydrophobicContact CE2-CD1 4.35Å; F189-F212 HydrophobicContact CE2-CE1 4.38Å; F189-F212 HydrophobicContact CZ-CB 4.26Å; F189-F212 AromaticContact CZ-CD1 3.52Å; F189-F212 HydrophobicContact CZ-CD1 3.52Å; F189-F212 HydrophobicContact CZ-CD2 4.28Å; F189-F212 AromaticContact CZ-CE1 3.82Å; F189-F212 HydrophobicContact CZ-CE1 3.82Å; F189-F212 AromaticContact CZ-CG 3.76Å; F189-F212 HydrophobicContact CZ-CG 3.76Å; F189-F212 HydrophobicContact CZ-CZ 4.32Å; L206-F212 HydrophobicContact CB-CE2 4.32Å; L206-F212 HydrophobicContact CB-CZ 4.43Å; L207-F212 HydrophobicContact CD2-CD2 3.62Å; L207-F212 HydrophobicContact CD2-CE2 3.8Å; L210-F212 HydrophobicContact CB-CD2 4.5Å; L210-F212 HydrophobicContact CB-CE2 3.96Å; L210-F212 HydrophobicContact CB-CZ 4.42Å; L210-F212 HydrophobicContact CD1-CE2 4.5Å; L210-F212 HydrophobicContact CD1-CZ 4.2Å; F212-I214 HydrophobicContact CB-CD1 3.9Å; F212-I214 HydrophobicContact CB-CG1 4.26Å; F212-A409 HydrophobicContact CE1-CB 3.91Å; F212-A409 HydrophobicContact CZ-CB 3.77Å |
| 213 | Y | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 16 Ų | 16 | 9% | 0.086 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.1 | 169.6 | -68.2 | -56.9 | 0 | 0 | 0 | 108.1 | L156 L157 K158 A168 I169 F170 I171 F289 I297 | L156-Y213 HydrophobicContact CD2-CD1 3.77Å; L156-Y213 HydrophobicContact CD2-CG 4.15Å; L156-Y213 HydrophobicContact CG-CD1 4.43Å; L157-Y213 CarbonylContact O-C 3.57Å; L157-Y213 WeakPolarHBondContact O-CA 3.44Å; K158-Y213 HydrophobicContact CB-CD1 4.07Å; K158-Y213 HydrophobicContact CB-CE1 4.01Å; K158-Y213 HydrophobicContact CD-CE1 3.91Å; K158-Y213 HydrophobicContact CG-CD1 4.17Å; K158-Y213 HydrophobicContact CG-CE1 3.8Å; A168-Y213 HydrophobicContact CB-CD2 3.82Å; A168-Y213 HydrophobicContact CB-CE2 3.54Å; I169-Y213 PolarHBondContact O-N 3.15Å; F170-Y213 VanDerWaalsContact CD2-CB 3.45Å; F170-Y213 HydrophobicContact CD2-CD2 4.17Å; F170-Y213 HydrophobicContact CD2-CG 4.16Å; I171-Y213 PolarHBondContact N-O 3.03Å; I171-Y213 VanDerWaalsContact O-O 3.13Å; Y213-F289 HydrophobicContact CD1-CE1 4.27Å; Y213-F289 AromaticContact CD1-CZ 3.86Å; Y213-F289 HydrophobicContact CD1-CZ 3.86Å; Y213-F289 AromaticContact CD2-CE1 3.91Å; Y213-F289 HydrophobicContact CD2-CE1 3.91Å; Y213-F289 HydrophobicContact CD2-CZ 4.17Å; Y213-F289 AromaticContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE2-CE1 4.16Å; Y213-F289 HydrophobicContact CE2-CZ 4.13Å; Y213-F289 AromaticContact CG-CE1 3.98Å; Y213-F289 HydrophobicContact CG-CE1 3.98Å; Y213-F289 HydrophobicContact CG-CZ 4.04Å; Y213-F289 AromaticContact CZ-CZ 3.97Å; Y213-I297 HydrophobicContact CD2-CG1 4.35Å; Y213-I297 HydrophobicContact CE2-CG1 4.36Å |
| 214 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 113.4 | -177 | -51.3 | -57.8 | 0 | 0 | 0 | 109.5 | L157 V159 I171 C186 F189 V190 F212 P216 | L157-I214 HydrophobicContact CB-CB 4.36Å; L157-I214 PolarHBondContact N-O 2.95Å; L157-I214 PolarHBondContact O-N 2.95Å; V159-I214 HydrophobicContact CG2-CG1 3.9Å; I171-I214 HydrophobicContact CB-CD1 3.72Å; I171-I214 HydrophobicContact CD1-CD1 3.82Å; I171-I214 HydrophobicContact CG1-CD1 3.91Å; I171-I214 CarbonylContact O-C 3.46Å; I171-I214 WeakPolarHBondContact O-CA 3.19Å; C186-I214 HydrophobicContact CB-CG2 3.85Å; F189-I214 HydrophobicContact CD1-CD1 3.61Å; F189-I214 HydrophobicContact CD1-CG1 3.9Å; F189-I214 HydrophobicContact CE1-CD1 3.63Å; F189-I214 HydrophobicContact CE1-CG1 4.04Å; F189-I214 HydrophobicContact CG-CD1 4.38Å; F189-I214 HydrophobicContact CZ-CD1 4.4Å; V190-I214 HydrophobicContact CG2-CB 4.29Å; V190-I214 HydrophobicContact CG2-CG1 4.23Å; V190-I214 HydrophobicContact CG2-CG2 4.03Å; F212-I214 HydrophobicContact CB-CD1 3.9Å; F212-I214 HydrophobicContact CB-CG1 4.26Å; I214-P216 WeakPolarHBondContact O-CD 3.35Å |
| 215 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 97.7 | 175.7 | -160.5 | 173.3 | 0 | 0 | 0 | 108.6 | I145 I154 L156 F170 I171 D172 C173 V217 L218 L286 | I145-L215 HydrophobicContact CD1-CD1 3.67Å; I154-L215 HydrophobicContact CG2-CD1 4.33Å; I154-L215 HydrophobicContact CG2-CD2 4.31Å; I154-L215 HydrophobicContact CG2-CG 4.48Å; L156-L215 HydrophobicContact CD1-CB 3.68Å; L156-L215 HydrophobicContact CD1-CG 4.21Å; F170-L215 HydrophobicContact CE1-CB 4.43Å; F170-L215 HydrophobicContact CZ-CB 4.22Å; F170-L215 HydrophobicContact CZ-CD1 4.11Å; I171-L215 PolarHBondContact O-N 2.87Å; D172-L215 WeakPolarHBondContact CA-O 3.42Å; D172-L215 HydrophobicContact CB-CB 3.85Å; D172-L215 HydrophobicContact CB-CD1 4.48Å; C173-L215 PolarHBondContact N-O 3.28Å; L215-V217 VanDerWaalsContact CD2-O 3.28Å; L215-V217 WeakPolarHBondContact CD2-O 3.49Å; L215-V217 PolarHBondContact O-N 3.32Å; L215-L218 HydrophobicContact CD1-CD1 3.88Å; L215-L218 HydrophobicContact CD2-CB 3.92Å; L215-L218 HydrophobicContact CD2-CD1 4.43Å; L215-L218 VanDerWaalsContact CD2-N 3.29Å; L215-L286 HydrophobicContact CD1-CD1 4.31Å |
| 216 | P | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -70.5 | -31.1 | -169.2 | 26.6 | -34.6 | 0 | 0 | 0 | 114.5 | I125 W128 T129 C173 P183 C186 I214 | I125-P216 HydrophobicContact CG2-CB 4.31Å; I125-P216 HydrophobicContact CG2-CG 4.4Å; W128-P216 HydrophobicContact CZ3-CB 4.34Å; W128-P216 HydrophobicContact CZ3-CG 4.45Å; T129-P216 HydrophobicContact CG2-CG 4.13Å; C173-P216 VanDerWaalsContact CB-O 3.3Å; C173-P216 WeakPolarHBondContact CB-O 3.25Å; P183-P216 WeakPolarHBondContact CA-O 3.43Å; P183-P216 WeakPolarHBondContact CB-O 3.31Å; C186-P216 HydrophobicContact CB-CB 4.17Å; I214-P216 WeakPolarHBondContact O-CD 3.35Å |
| 217 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | trans | -147.2 | 110.9 | 177 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | W122 I125 C173 P183 L215 I220 Y223 | W122-V217 HydrophobicContact CE3-CB 4.31Å; W122-V217 HydrophobicContact CE3-CG2 4.19Å; W122-V217 HydrophobicContact CZ3-CB 3.92Å; W122-V217 HydrophobicContact CZ3-CG2 4.04Å; I125-V217 HydrophobicContact CD1-CG2 4.03Å; I125-V217 HydrophobicContact CG2-CG2 4.44Å; C173-V217 WeakPolarHBondContact O-CA 3.2Å; P183-V217 HydrophobicContact CB-CG2 3.97Å; P183-V217 HydrophobicContact CG-CG2 4.14Å; L215-V217 VanDerWaalsContact CD2-O 3.28Å; L215-V217 WeakPolarHBondContact CD2-O 3.49Å; L215-V217 PolarHBondContact O-N 3.32Å; V217-I220 HydrophobicContact CB-CG1 4.08Å; V217-I220 HydrophobicContact CG1-CB 4.42Å; V217-I220 HydrophobicContact CG1-CG1 3.86Å; V217-I220 WeakPolarHBondContact O-CG1 3.35Å; V217-Y223 HydrophobicContact CG1-CD1 4.44Å; V217-Y223 HydrophobicContact CG1-CG 4.04Å | ||
| 218 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -77.1 | -55.1 | 173.5 | -179.8 | 66.2 | 0 | 0 | 0 | 111.2 | I154 C173 F175 L215 I220 E282 L286 | I154-L218 HydrophobicContact CG2-CD1 4.36Å; C173-L218 PolarHBondContact O-N 3.02Å; F175-L218 HydrophobicContact CD1-CD2 4.11Å; F175-L218 HydrophobicContact CD2-CB 4.01Å; F175-L218 HydrophobicContact CD2-CD2 3.53Å; F175-L218 HydrophobicContact CD2-CG 4.4Å; F175-L218 HydrophobicContact CE1-CD2 3.91Å; F175-L218 HydrophobicContact CE2-CB 4.22Å; F175-L218 HydrophobicContact CE2-CD2 3.24Å; F175-L218 HydrophobicContact CE2-CG 4.31Å; F175-L218 HydrophobicContact CG-CD2 3.96Å; F175-L218 HydrophobicContact CZ-CD2 3.47Å; F175-L218 VanDerWaalsContact CZ-CD2 3.47Å; L215-L218 HydrophobicContact CD1-CD1 3.88Å; L215-L218 HydrophobicContact CD2-CB 3.92Å; L215-L218 HydrophobicContact CD2-CD1 4.43Å; L215-L218 VanDerWaalsContact CD2-N 3.29Å; L218-I220 VanDerWaalsContact C-N 3.31Å; L218-I220 PolarHBondContact O-N 3.37Å; L218-E282 HydrophobicContact CD1-CB 4.05Å; L218-E282 HydrophobicContact CG-CB 4.08Å; L218-L286 HydrophobicContact CD1-CB 4.25Å; L218-L286 HydrophobicContact CD2-CD2 4Å |
| 219 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -88.2 | 69.9 | -177 | -179.5 | 8.9 | 0 | 0 | 0 | 110.7 | G174 F175 D221 G222 Y223 R234 K235 | G174-N219 WeakPolarHBondContact O-CB 3.01Å; G174-N219 PolarHBondContact O-N 3.16Å; F175-N219 WeakPolarHBondContact O-CB 3.13Å; F175-N219 PolarHBondContact O-ND2 2.97Å; N219-D221 VanDerWaalsContact C-N 3.35Å; N219-D221 PolarHBondContact O-N 3Å; N219-G222 PolarHBondContact O-N 2.96Å; N219-G222 WeakPolarHBondContact OD1-CA 3.1Å; N219-G222 PolarHBondContact OD1-N 3.24Å; N219-Y223 WeakPolarHBondContact O-CB 3.33Å; N219-Y223 PolarHBondContact O-N 3.17Å; N219-R234 PolarHBondContact ND2-O 3.2Å; N219-K235 VanDerWaalsContact ND2-C 3.29Å; N219-K235 PolarHBondContact ND2-O 3.42Å | ||
| 220 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | -175.3 | -61.6 | 160.3 | 0 | 0 | 0 | 111.1 | W122 T148 R152 D153 I154 V217 L218 Y223 I224 | W122-I220 HydrophobicContact CD2-CG1 4.43Å; W122-I220 HydrophobicContact CD2-CG2 3.42Å; W122-I220 VanDerWaalsContact CD2-CG2 3.42Å; W122-I220 HydrophobicContact CE3-CG1 4.18Å; W122-I220 HydrophobicContact CE3-CG2 3.94Å; W122-I220 HydrophobicContact CG-CG2 3.69Å; W122-I220 HydrophobicContact CH2-CD1 3.38Å; W122-I220 HydrophobicContact CH2-CG1 3.71Å; W122-I220 HydrophobicContact CH2-CG2 4.28Å; W122-I220 HydrophobicContact CZ2-CD1 3.54Å; W122-I220 HydrophobicContact CZ2-CG1 4.02Å; W122-I220 HydrophobicContact CZ2-CG2 3.84Å; W122-I220 HydrophobicContact CZ3-CD1 4.04Å; W122-I220 HydrophobicContact CZ3-CG1 3.83Å; W122-I220 HydrophobicContact CZ3-CG2 4.35Å; T148-I220 HydrophobicContact CG2-CB 3.89Å; T148-I220 HydrophobicContact CG2-CD1 4.03Å; T148-I220 HydrophobicContact CG2-CG1 4.36Å; R152-I220 HydrophobicContact CB-CG2 4.25Å; D153-I220 VanDerWaalsContact O-CD1 3.29Å; D153-I220 WeakPolarHBondContact O-CD1 3.3Å; I154-I220 HydrophobicContact CB-CD1 4.47Å; I154-I220 HydrophobicContact CG1-CD1 4.21Å; V217-I220 HydrophobicContact CB-CG1 4.08Å; V217-I220 HydrophobicContact CG1-CB 4.42Å; V217-I220 HydrophobicContact CG1-CG1 3.86Å; V217-I220 WeakPolarHBondContact O-CG1 3.35Å; L218-I220 VanDerWaalsContact C-N 3.31Å; L218-I220 PolarHBondContact O-N 3.37Å; I220-Y223 WeakPolarHBondContact O-CB 3.37Å; I220-Y223 PolarHBondContact O-N 3.15Å; I220-I224 HydrophobicContact CG2-CD1 3.87Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.25Å; I220-I224 PolarHBondContact O-N 3.47Å |
| 221 | D | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.8 | -46.4 | -178.7 | -60.1 | -9.1 | 0 | 0 | 0 | 111.1 | T148 F149 E150 R152 N219 I224 Y225 R237 | T148-D221 VanDerWaalsContact CB-CG 3.47Å; T148-D221 WeakPolarHBondContact CB-OD1 3.26Å; T148-D221 VanDerWaalsContact CB-OD2 3.28Å; T148-D221 WeakPolarHBondContact CB-OD2 3.45Å; T148-D221 VanDerWaalsContact OG1-CG 3.23Å; T148-D221 PolarHBondContact OG1-OD1 3.23Å; T148-D221 PolarHBondContact OG1-OD2 3.19Å; F149-D221 PolarHBondContact N-OD2 3.26Å; E150-D221 VanDerWaalsContact CB-OD2 3.32Å; E150-D221 WeakPolarHBondContact CB-OD2 3.3Å; E150-D221 HydrophobicContact CG-CB 4.3Å; E150-D221 WeakPolarHBondContact CG-OD2 3.34Å; E150-D221 PolarHBondContact N-OD2 3.47Å; R152-D221 IonicContact CZ-OD1 2.69Å; R152-D221 VanDerWaalsContact NH1-CG 3.32Å; R152-D221 IonicContact NH1-OD1 3.43Å; R152-D221 PolarHBondContact NH1-OD1 3.4Å; N219-D221 VanDerWaalsContact C-N 3.35Å; N219-D221 PolarHBondContact O-N 3Å; D221-I224 PolarHBondContact O-N 3.14Å; D221-Y225 WeakPolarHBondContact O-CB 3.08Å; D221-Y225 PolarHBondContact O-N 3.32Å; D221-R237 HydrophobicContact CB-CB 3.69Å; D221-R237 HydrophobicContact CB-CG 3.62Å |
| 222 | G | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A177 N219 I224 Y225 T226 | A177-G222 VanDerWaalsContact CB-O 3.3Å; A177-G222 WeakPolarHBondContact CB-O 3.38Å; N219-G222 PolarHBondContact O-N 2.96Å; N219-G222 WeakPolarHBondContact OD1-CA 3.1Å; N219-G222 PolarHBondContact OD1-N 3.24Å; G222-I224 PolarHBondContact O-N 2.94Å; G222-Y225 WeakPolarHBondContact O-CA 3.28Å; G222-Y225 VanDerWaalsContact O-CB 3.29Å; G222-Y225 WeakPolarHBondContact O-CB 3.48Å; G222-Y225 PolarHBondContact O-N 2.52Å; G222-T226 PolarHBondContact O-N 2.73Å |
| 223 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57 | -49.1 | 179.2 | -170.7 | -106.8 | 0 | 0 | 0 | 111.2 | N120 W122 I125 W180 P183 V217 N219 I220 Y225 T226 W227 | N120-Y223 WeakPolarHBondContact O-CE1 2.99Å; N120-Y223 PolarHBondContact O-OH 2.99Å; W122-Y223 HydrophobicContact CB-CD1 4.33Å; I125-Y223 HydrophobicContact CD1-CE1 3.86Å; W180-Y223 AromaticContact CD1-CD2 3.99Å; W180-Y223 AromaticContact CD1-CE2 3.44Å; W180-Y223 VanDerWaalsContact CD1-CE2 3.44Å; W180-Y223 HydrophobicContact CG-CE2 4.16Å; W180-Y223 AromaticContact NE1-CE2 3.75Å; P183-Y223 HydrophobicContact CB-CE2 4.45Å; P183-Y223 HydrophobicContact CG-CD2 4.4Å; P183-Y223 HydrophobicContact CG-CE2 4.02Å; V217-Y223 HydrophobicContact CG1-CD1 4.44Å; V217-Y223 HydrophobicContact CG1-CG 4.04Å; N219-Y223 WeakPolarHBondContact O-CB 3.33Å; N219-Y223 PolarHBondContact O-N 3.17Å; I220-Y223 WeakPolarHBondContact O-CB 3.37Å; I220-Y223 PolarHBondContact O-N 3.15Å; Y223-Y225 VanDerWaalsContact C-N 3.28Å; Y223-Y225 PolarHBondContact O-N 2.87Å; Y223-T226 PolarHBondContact O-N 3.3Å; Y223-T226 VanDerWaalsContact O-N 3.11Å; Y223-T226 PolarHBondContact O-OG1 3Å; Y223-W227 AromaticContact CE1-CD1 3.81Å; Y223-W227 AromaticContact CE1-NE1 3.3Å; Y223-W227 VanDerWaalsContact CE1-NE1 3.3Å; Y223-W227 AromaticContact CE2-NE1 3.99Å; Y223-W227 AromaticContact CZ-NE1 3.29Å; Y223-W227 VanDerWaalsContact CZ-NE1 3.29Å; Y223-W227 VanDerWaalsContact O-CD1 3.31Å; Y223-W227 PolarHBondContact O-N 2.83Å; Y223-W227 PolarHBondContact OH-NE1 3.35Å |
| 224 | I | 98.9 | Very high | 98.3 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 17% | 0.169 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 174.7 | -68.2 | 165.4 | 0 | 0 | 0 | 111.3 | W122 R152 I220 D221 G222 T226 W227 T228 | W122-I224 HydrophobicContact CB-CD1 3.94Å; W122-I224 HydrophobicContact CB-CG1 3.51Å; W122-I224 HydrophobicContact CG-CD1 3.88Å; W122-I224 HydrophobicContact CG-CG1 4.01Å; R152-I224 VanDerWaalsContact CD-CD1 3.42Å; R152-I224 VanDerWaalsContact CZ-CD1 3.43Å; I220-I224 HydrophobicContact CG2-CD1 3.87Å; I220-I224 HydrophobicContact CG2-CG1 4.47Å; I220-I224 WeakPolarHBondContact O-CG1 3.25Å; I220-I224 PolarHBondContact O-N 3.47Å; D221-I224 PolarHBondContact O-N 3.14Å; G222-I224 PolarHBondContact O-N 2.94Å; I224-T226 PolarHBondContact O-N 3Å; I224-W227 PolarHBondContact O-N 3.24Å; I224-W227 VanDerWaalsContact O-N 3.07Å; I224-T228 HydrophobicContact CG2-CG2 4.16Å; I224-T228 WeakPolarHBondContact O-CG2 3.37Å; I224-T228 PolarHBondContact O-N 2.87Å; I224-T228 VanDerWaalsContact O-N 3.12Å; I224-T228 PolarHBondContact O-OG1 3.29Å |
| 225 | Y | 98.8 | Very high | 98.3 | Very high | 62 Ų | 62 | 24.3 Ų | 24.3 | 24% | 0.243 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.9 | -33.1 | 178.3 | -161.7 | -107.2 | 0 | 0 | 0 | 112.4 | D221 G222 Y223 W227 T228 K229 S230 W233 | D221-Y225 WeakPolarHBondContact O-CB 3.08Å; D221-Y225 PolarHBondContact O-N 3.32Å; G222-Y225 WeakPolarHBondContact O-CA 3.28Å; G222-Y225 VanDerWaalsContact O-CB 3.29Å; G222-Y225 WeakPolarHBondContact O-CB 3.48Å; G222-Y225 PolarHBondContact O-N 2.52Å; Y223-Y225 VanDerWaalsContact C-N 3.28Å; Y223-Y225 PolarHBondContact O-N 2.87Å; Y225-W227 VanDerWaalsContact C-N 3.33Å; Y225-W227 PolarHBondContact O-N 3.36Å; Y225-T228 PolarHBondContact O-N 3.23Å; Y225-K229 HydrophobicContact CD1-CB 4.31Å; Y225-K229 HydrophobicContact CD2-CB 3.78Å; Y225-K229 HydrophobicContact CD2-CG 3.86Å; Y225-K229 HydrophobicContact CE1-CB 4.01Å; Y225-K229 HydrophobicContact CE2-CB 3.42Å; Y225-K229 VanDerWaalsContact CE2-CB 3.42Å; Y225-K229 HydrophobicContact CE2-CG 3.52Å; Y225-K229 HydrophobicContact CG-CB 4.21Å; Y225-K229 PolarHBondContact O-N 3.48Å; Y225-S230 PolarHBondContact O-N 2.72Å; Y225-W233 HydrophobicContact CD1-CB 3.78Å; Y225-W233 AromaticContact CD1-CD2 3.75Å; Y225-W233 HydrophobicContact CD1-CD2 3.75Å; Y225-W233 HydrophobicContact CD1-CE3 4.16Å; Y225-W233 AromaticContact CD1-CG 3.57Å; Y225-W233 HydrophobicContact CD1-CG 3.57Å; Y225-W233 HydrophobicContact CE1-CB 4.38Å; Y225-W233 AromaticContact CE1-CD2 3.93Å; Y225-W233 HydrophobicContact CE1-CD2 3.93Å; Y225-W233 AromaticContact CE1-CE3 3.85Å; Y225-W233 HydrophobicContact CE1-CE3 3.85Å; Y225-W233 HydrophobicContact CE1-CG 4.18Å; Y225-W233 HydrophobicContact CE1-CZ3 4.49Å |
| 226 | T | 98.7 | Very high | 98.3 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.043 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.6 | -27.4 | 174.7 | 66.9 | 0 | 0 | 0 | 0 | 114.4 | A177 W180 G222 Y223 I224 S230 R231 W233 | A177-T226 HydrophobicContact CB-CG2 3.66Å; W180-T226 PolarHBondContact NE1-OG1 3.13Å; G222-T226 PolarHBondContact O-N 2.73Å; Y223-T226 PolarHBondContact O-N 3.3Å; Y223-T226 VanDerWaalsContact O-N 3.11Å; Y223-T226 PolarHBondContact O-OG1 3Å; I224-T226 PolarHBondContact O-N 3Å; T226-S230 VanDerWaalsContact CA-O 3.3Å; T226-S230 WeakPolarHBondContact CA-O 3.27Å; T226-R231 WeakPolarHBondContact O-CA 3.42Å; T226-W233 HydrophobicContact CG2-CB 4.04Å; T226-W233 WeakPolarHBondContact CG2-O 3.21Å |
| 227 | W | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 25.5 Ų | 25.5 | 22% | 0.22 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -82.2 | -21.9 | 175 | -77.2 | 97.3 | 0 | 0 | 0 | 113.5 | F105 Y119 K121 W180 Y223 I224 Y225 | F105-W227 AromaticContact CE1-CH2 3.82Å; F105-W227 HydrophobicContact CE1-CH2 3.82Å; F105-W227 AromaticContact CE1-CZ3 3.82Å; F105-W227 HydrophobicContact CE1-CZ3 3.82Å; F105-W227 HydrophobicContact CZ-CH2 4.4Å; F105-W227 HydrophobicContact CZ-CZ3 4.07Å; Y119-W227 VanDerWaalsContact O-CH2 3.27Å; Y119-W227 WeakPolarHBondContact O-CH2 3.2Å; K121-W227 HydrophobicContact CB-CD2 4.48Å; K121-W227 HydrophobicContact CD-CE3 4.34Å; K121-W227 HydrophobicContact CG-CD2 3.68Å; K121-W227 HydrophobicContact CG-CE3 3.58Å; K121-W227 HydrophobicContact CG-CG 4.24Å; K121-W227 HydrophobicContact CG-CH2 4.12Å; K121-W227 HydrophobicContact CG-CZ2 4.22Å; K121-W227 HydrophobicContact CG-CZ3 3.81Å; W180-W227 AromaticContact CE2-NE1 3.99Å; W180-W227 HydrophobicContact CH2-CD2 4.04Å; W180-W227 HydrophobicContact CH2-CE3 4.17Å; W180-W227 HydrophobicContact CH2-CH2 4.36Å; W180-W227 HydrophobicContact CH2-CZ2 4.22Å; W180-W227 HydrophobicContact CH2-CZ3 4.33Å; W180-W227 AromaticContact CZ2-CD2 3.94Å; W180-W227 HydrophobicContact CZ2-CD2 3.94Å; W180-W227 AromaticContact CZ2-CE2 3.85Å; W180-W227 HydrophobicContact CZ2-CG 4.13Å; W180-W227 HydrophobicContact CZ2-CZ2 4.38Å; W180-W227 AromaticContact CZ2-NE1 3.9Å; W180-W227 HydrophobicContact CZ3-CH2 4.38Å; W180-W227 HydrophobicContact CZ3-CZ2 4.32Å; Y223-W227 AromaticContact CE1-CD1 3.81Å; Y223-W227 AromaticContact CE1-NE1 3.3Å; Y223-W227 VanDerWaalsContact CE1-NE1 3.3Å; Y223-W227 AromaticContact CE2-NE1 3.99Å; Y223-W227 AromaticContact CZ-NE1 3.29Å; Y223-W227 VanDerWaalsContact CZ-NE1 3.29Å; Y223-W227 VanDerWaalsContact O-CD1 3.31Å; Y223-W227 PolarHBondContact O-N 2.83Å; Y223-W227 PolarHBondContact OH-NE1 3.35Å; I224-W227 PolarHBondContact O-N 3.24Å; I224-W227 VanDerWaalsContact O-N 3.07Å; Y225-W227 VanDerWaalsContact C-N 3.33Å; Y225-W227 PolarHBondContact O-N 3.36Å |
| 228 | T | 96.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 25.8 Ų | 25.8 | 53% | 0.528 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -117.3 | -26.8 | -166.2 | 55.6 | 0 | 0 | 0 | 0 | 114.6 | I224 Y225 | I224-T228 HydrophobicContact CG2-CG2 4.16Å; I224-T228 WeakPolarHBondContact O-CG2 3.37Å; I224-T228 PolarHBondContact O-N 2.87Å; I224-T228 VanDerWaalsContact O-N 3.12Å; I224-T228 PolarHBondContact O-OG1 3.29Å; Y225-T228 PolarHBondContact O-N 3.23Å |
| 229 | K | 95.3 | Very high | 98.2 | Very high | 158 Ų | 158 | 30.1 Ų | 30.1 | 69% | 0.687 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140 | -52.2 | -170.8 | -62.2 | -64.8 | 174.4 | -169.2 | 0 | 114.4 | Y225 | Y225-K229 HydrophobicContact CD1-CB 4.31Å; Y225-K229 HydrophobicContact CD2-CB 3.78Å; Y225-K229 HydrophobicContact CD2-CG 3.86Å; Y225-K229 HydrophobicContact CE1-CB 4.01Å; Y225-K229 HydrophobicContact CE2-CB 3.42Å; Y225-K229 VanDerWaalsContact CE2-CB 3.42Å; Y225-K229 HydrophobicContact CE2-CG 3.52Å; Y225-K229 HydrophobicContact CG-CB 4.21Å; Y225-K229 PolarHBondContact O-N 3.48Å |
| 230 | S | 96.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 31.4 Ų | 31.4 | 24% | 0.238 | 15% | 0.154 | C | C | . | . | trans | -141.5 | 98.2 | -172.8 | -178.6 | 0 | 0 | 0 | 0 | 111.7 | Y225 T226 F232 W233 | Y225-S230 PolarHBondContact O-N 2.72Å; T226-S230 VanDerWaalsContact CA-O 3.3Å; T226-S230 WeakPolarHBondContact CA-O 3.27Å; S230-F232 PolarHBondContact O-N 3.32Å; S230-F232 VanDerWaalsContact O-N 3.11Å; S230-W233 VanDerWaalsContact O-CB 3.26Å; S230-W233 WeakPolarHBondContact O-CB 3.43Å; S230-W233 PolarHBondContact O-N 2.82Å | ||
| 231 | R | 97.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 36.7 Ų | 36.7 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.8 | -176.6 | 177.9 | 56.4 | -174.4 | 83.2 | -0.8 | 114.1 | F22 Q104 R178 W180 T226 F387 | F22-R231 HydrophobicContact CE2-CB 3.83Å; F22-R231 HydrophobicContact CZ-CB 3.76Å; Q104-R231 VanDerWaalsContact NE2-NH2 3.14Å; R178-R231 PolarHBondContact O-NH1 3.06Å; W180-R231 VanDerWaalsContact CH2-CD 3.4Å; W180-R231 VanDerWaalsContact CH2-NE 3.26Å; W180-R231 VanDerWaalsContact CZ3-NE 3.33Å; T226-R231 WeakPolarHBondContact O-CA 3.42Å; R231-F387 PolarHBondContact NH2-O 2.73Å |
| 232 | F | 97.4 | Very high | 97 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 12.9 | -177.2 | -59.1 | -68.9 | 0 | 0 | 0 | 113.7 | F22 W53 L97 V101 R178 S230 | F22-F232 HydrophobicContact CD1-CD2 4.15Å; F22-F232 AromaticContact CD1-CE2 3.79Å; F22-F232 HydrophobicContact CD1-CE2 3.79Å; F22-F232 HydrophobicContact CD2-CE2 4.25Å; F22-F232 AromaticContact CE1-CD2 3.51Å; F22-F232 HydrophobicContact CE1-CD2 3.51Å; F22-F232 AromaticContact CE1-CE2 3.54Å; F22-F232 HydrophobicContact CE1-CE2 3.54Å; F22-F232 HydrophobicContact CE2-CD2 4.5Å; F22-F232 HydrophobicContact CE2-CE2 4.02Å; F22-F232 HydrophobicContact CG-CE2 4.15Å; F22-F232 AromaticContact CZ-CD2 3.72Å; F22-F232 HydrophobicContact CZ-CD2 3.72Å; F22-F232 AromaticContact CZ-CE2 3.66Å; F22-F232 HydrophobicContact CZ-CE2 3.66Å; W53-F232 AromaticContact CH2-CE1 3.86Å; W53-F232 HydrophobicContact CH2-CE1 3.86Å; W53-F232 HydrophobicContact CH2-CZ 4.49Å; W53-F232 AromaticContact CZ2-CD1 3.64Å; W53-F232 HydrophobicContact CZ2-CD1 3.64Å; W53-F232 AromaticContact CZ2-CE1 3.34Å; W53-F232 HydrophobicContact CZ2-CE1 3.34Å; W53-F232 HydrophobicContact CZ2-CZ 4.03Å; L97-F232 HydrophobicContact CD1-CE2 4.45Å; L97-F232 HydrophobicContact CD1-CZ 3.8Å; L97-F232 HydrophobicContact CD2-CD2 4.27Å; L97-F232 HydrophobicContact CD2-CE2 3.38Å; L97-F232 HydrophobicContact CD2-CZ 3.56Å; L97-F232 HydrophobicContact CG-CE2 3.98Å; L97-F232 HydrophobicContact CG-CZ 3.82Å; V101-F232 HydrophobicContact CG2-CE2 4.21Å; V101-F232 HydrophobicContact CG2-CZ 3.75Å; R178-F232 WeakPolarHBondContact CD-O 3.4Å; R178-F232 PolarHBondContact NH1-O 2.58Å; S230-F232 PolarHBondContact O-N 3.32Å; S230-F232 VanDerWaalsContact O-N 3.11Å |
| 233 | W | 98.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 43 Ų | 43 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | trans | -62.2 | 135.4 | 170.2 | -173.6 | -96.4 | 0 | 0 | 0 | 111.3 | A177 R178 Y225 T226 S230 K235 T236 R237 I246 | A177-W233 WeakPolarHBondContact CB-O 3.49Å; R178-W233 WeakPolarHBondContact CB-O 3.07Å; R178-W233 PolarHBondContact N-O 2.61Å; Y225-W233 HydrophobicContact CD1-CB 3.78Å; Y225-W233 AromaticContact CD1-CD2 3.75Å; Y225-W233 HydrophobicContact CD1-CD2 3.75Å; Y225-W233 HydrophobicContact CD1-CE3 4.16Å; Y225-W233 AromaticContact CD1-CG 3.57Å; Y225-W233 HydrophobicContact CD1-CG 3.57Å; Y225-W233 HydrophobicContact CE1-CB 4.38Å; Y225-W233 AromaticContact CE1-CD2 3.93Å; Y225-W233 HydrophobicContact CE1-CD2 3.93Å; Y225-W233 AromaticContact CE1-CE3 3.85Å; Y225-W233 HydrophobicContact CE1-CE3 3.85Å; Y225-W233 HydrophobicContact CE1-CG 4.18Å; Y225-W233 HydrophobicContact CE1-CZ3 4.49Å; T226-W233 HydrophobicContact CG2-CB 4.04Å; T226-W233 WeakPolarHBondContact CG2-O 3.21Å; S230-W233 VanDerWaalsContact O-CB 3.26Å; S230-W233 WeakPolarHBondContact O-CB 3.43Å; S230-W233 PolarHBondContact O-N 2.82Å; W233-K235 VanDerWaalsContact CD1-O 3.25Å; W233-K235 HydrophobicContact CZ2-CB 4.08Å; W233-K235 PolarHBondContact NE1-O 2.92Å; W233-T236 VanDerWaalsContact CZ2-O 3.24Å; W233-T236 WeakPolarHBondContact CZ2-O 3.43Å; W233-T236 PolarHBondContact NE1-O 3.39Å; W233-R237 VanDerWaalsContact CH2-NH1 3.34Å; W233-R237 VanDerWaalsContact CZ2-NH1 3.3Å; W233-I246 HydrophobicContact CH2-CB 4.12Å; W233-I246 HydrophobicContact CH2-CG2 4.39Å; W233-I246 VanDerWaalsContact CH2-O 3.22Å; W233-I246 WeakPolarHBondContact CH2-O 3.3Å; W233-I246 HydrophobicContact CZ2-CB 4.48Å; W233-I246 HydrophobicContact CZ2-CG2 4.27Å | ||
| 234 | R | 98.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 5% | 0.045 | 30% | 0.295 | C | S | . | . | trans | -109.7 | -48.8 | -179.9 | 170.7 | 171.2 | 168.7 | 149 | -22.3 | 113 | D56 H176 A177 N219 D249 | D56-R234 IonicContact OD2-CZ 3.43Å; D56-R234 IonicContact OD2-NH1 3.67Å; D56-R234 IonicContact OD2-NH2 3.05Å; D56-R234 PolarHBondContact OD2-NH2 2.63Å; H176-R234 WeakPolarHBondContact CA-O 3.23Å; H176-R234 HydrophobicContact CB-CG 3.86Å; H176-R234 PolarHBondContact CD2-NE 3.13Å; H176-R234 VanDerWaalsContact CD2-NE 3.29Å; H176-R234 PolarHBondContact CE1-NH2 2.89Å; H176-R234 VanDerWaalsContact CE1-NH2 3.35Å; H176-R234 VanDerWaalsContact NE2-CZ 3.31Å; H176-R234 PolarHBondContact NE2-NE 2.96Å; H176-R234 PolarHBondContact NE2-NH2 2.87Å; A177-R234 PolarHBondContact N-O 3.39Å; N219-R234 PolarHBondContact ND2-O 3.2Å; R234-D249 IonicContact CZ-OD2 3.17Å; R234-D249 IonicContact NE-OD1 3.21Å; R234-D249 IonicContact NE-OD2 3.86Å; R234-D249 PolarHBondContact NE-OD2 2.9Å; R234-D249 IonicContact NH2-OD1 3.7Å; R234-D249 IonicContact NH2-OD2 2.8Å; R234-D249 PolarHBondContact NH2-OD2 3.12Å | ||
| 235 | K | 98.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -68.1 | 175.8 | -167.6 | -64.6 | -164.1 | -65.8 | 176.4 | 0 | 114.4 | N219 W233 I246 G247 T248 P267 D269 E270 | N219-K235 VanDerWaalsContact ND2-C 3.29Å; N219-K235 PolarHBondContact ND2-O 3.42Å; W233-K235 VanDerWaalsContact CD1-O 3.25Å; W233-K235 HydrophobicContact CZ2-CB 4.08Å; W233-K235 PolarHBondContact NE1-O 2.92Å; K235-I246 VanDerWaalsContact CE-O 3.28Å; K235-I246 WeakPolarHBondContact CE-O 3.06Å; K235-I246 PolarHBondContact NZ-O 3.44Å; K235-G247 WeakPolarHBondContact CD-O 3.38Å; K235-G247 WeakPolarHBondContact CE-O 3.32Å; K235-G247 PolarHBondContact NZ-O 2.93Å; K235-T248 WeakPolarHBondContact CA-O 3.04Å; K235-T248 VanDerWaalsContact CB-O 3.27Å; K235-T248 WeakPolarHBondContact CB-O 3.47Å; K235-P267 PolarHBondContact NZ-O 2.79Å; K235-D269 WeakPolarHBondContact CD-O 3.47Å; K235-D269 WeakPolarHBondContact CE-O 3.46Å; K235-D269 PolarHBondContact NZ-O 3.47Å; K235-E270 WeakPolarHBondContact CD-O 3.31Å; K235-E270 WeakPolarHBondContact CG-O 3.25Å |
| 236 | T | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -64.8 | -174.5 | 164.5 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | W233 S238 G247 T248 P250 E280 | W233-T236 VanDerWaalsContact CZ2-O 3.24Å; W233-T236 WeakPolarHBondContact CZ2-O 3.43Å; W233-T236 PolarHBondContact NE1-O 3.39Å; T236-S238 PolarHBondContact OG1-OG 3.27Å; T236-G247 WeakPolarHBondContact O-CA 3.29Å; T236-G247 WeakPolarHBondContact OG1-CA 3.44Å; T236-T248 PolarHBondContact N-O 3.22Å; T236-T248 PolarHBondContact OG1-N 3.21Å; T236-T248 PolarHBondContact OG1-O 3.31Å; T236-P250 HydrophobicContact CG2-CB 4.2Å; T236-P250 HydrophobicContact CG2-CG 4.41Å; T236-E280 WeakPolarHBondContact CB-OE2 3.35Å; T236-E280 HydrophobicContact CG2-CB 4.23Å; T236-E280 HydrophobicContact CG2-CG 3.96Å; T236-E280 PolarHBondContact OG1-OE2 3.2Å | ||
| 237 | R | 98.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 10% | 0.102 | 30% | 0.295 | C | S | . | . | trans | -115.4 | 18.1 | 176.4 | -66.3 | -62.9 | -58.4 | 158.6 | 1.9 | 114 | F149 E150 D221 W233 I246 | F149-R237 WeakPolarHBondContact CD1-O 3.49Å; E150-R237 HydrophobicContact CG-CB 4.41Å; D221-R237 HydrophobicContact CB-CB 3.69Å; D221-R237 HydrophobicContact CB-CG 3.62Å; W233-R237 VanDerWaalsContact CH2-NH1 3.34Å; W233-R237 VanDerWaalsContact CZ2-NH1 3.3Å; R237-I246 VanDerWaalsContact NH1-CG2 3.35Å; R237-I246 WeakPolarHBondContact O-CG2 3.33Å | ||
| 238 | S | 98.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 44.5 Ų | 44.5 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | trans | -61.9 | 141.5 | 176.9 | 56 | 0 | 0 | 0 | 0 | 112.7 | T236 H240 I246 G247 E280 | T236-S238 PolarHBondContact OG1-OG 3.27Å; S238-H240 PolarHBondContact OG-CE1 3Å; S238-I246 WeakPolarHBondContact O-CG2 3.45Å; S238-G247 PolarHBondContact O-N 3.48Å; S238-E280 VanDerWaalsContact CB-OE2 3.26Å; S238-E280 WeakPolarHBondContact CB-OE2 3.46Å; S238-E280 PolarHBondContact OG-OE2 3.14Å | ||
| 239 | T | 97.9 | Very high | 96.8 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 56% | 0.558 | 26% | 0.259 | S | S | * | . | B | Isolated β-bridge | trans | -99.2 | 146.8 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | F149 | F149-T239 HydrophobicContact CE1-CG2 4.31Å; F149-T239 HydrophobicContact CZ-CG2 4.38Å; F149-T239 WeakPolarHBondContact CZ-OG1 3.27Å |
| 240 | H | 91.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | trans | -117.8 | 131.6 | -173.6 | -58.2 | -64.9 | 0 | 0 | 0 | 110.5 | S238 G242 S243 T248 Y272 | S238-H240 PolarHBondContact OG-CE1 3Å; H240-G242 PolarHBondContact O-N 2.8Å; H240-S243 PolarHBondContact O-N 3.29Å; H240-S243 VanDerWaalsContact O-O 3.05Å; H240-T248 PolarHBondContact CE1-OG1 3.02Å; H240-Y272 AromaticContact CE1-CE1 3.7Å; H240-Y272 AromaticContact NE2-CE1 3.61Å | ||
| 241 | A | 89 | Confident | 97.1 | Very high | 112 Ų | 112 | 32 Ų | 32 | 93% | 0.926 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 129.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S243 | A241-S243 VanDerWaalsContact C-N 3.29Å; A241-S243 PolarHBondContact O-N 2.75Å |
| 242 | G | 91.1 | Very high | 97.1 | Very high | 95 Ų | 95 | 32 Ų | 32 | 98% | 0.979 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | H240 | H240-G242 PolarHBondContact O-N 2.8Š|
| 243 | S | 95.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | trans | -125.4 | 142.6 | 172.7 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | H240 A241 C245 | H240-S243 PolarHBondContact O-N 3.29Å; H240-S243 VanDerWaalsContact O-O 3.05Å; A241-S243 VanDerWaalsContact C-N 3.29Å; A241-S243 PolarHBondContact O-N 2.75Å; S243-C245 VanDerWaalsContact C-N 3.32Å; S243-C245 PolarHBondContact OG-N 3.23Å; S243-C245 VanDerWaalsContact OG-N 3.12Å | ||
| 244 | S | 96.1 | Very high | 97.2 | Very high | 116 Ų | 116 | 30.1 Ų | 30.1 | 81% | 0.811 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -84.8 | -8.9 | 169.6 | 58 | 0 | 0 | 0 | 0 | 112.9 | ||
| 245 | C | 97.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 34.6 Ų | 34.6 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | trans | -79.2 | 148.1 | 178.5 | -68.3 | 0 | 0 | 0 | 0 | 111 | S243 P267 C268 | S243-C245 VanDerWaalsContact C-N 3.32Å; S243-C245 PolarHBondContact OG-N 3.23Å; S243-C245 VanDerWaalsContact OG-N 3.12Å; C245-P267 HydrophobicContact CB-CB 4.29Å; C245-P267 WeakPolarHBondContact CB-O 3.41Å; C245-C268 HydrophobicContact CB-CB 3.85Å; C245-C268 WeakPolarHBondContact CB-SG 3.31Å; C245-C268 WeakPolarHBondContact SG-CA 3.31Å; C245-C268 WeakPolarHBondContact SG-CB 3.42Å; C245-C268 CovalentContact SG-SG 2.03Å; C245-C268 PolarHBondContact SG-SG 2.96Å | ||
| 246 | I | 98.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -120 | 142.5 | -168.8 | -58.5 | 175.2 | 0 | 0 | 0 | 109.3 | W233 K235 R237 S238 | W233-I246 HydrophobicContact CH2-CB 4.12Å; W233-I246 HydrophobicContact CH2-CG2 4.39Å; W233-I246 VanDerWaalsContact CH2-O 3.22Å; W233-I246 WeakPolarHBondContact CH2-O 3.3Å; W233-I246 HydrophobicContact CZ2-CB 4.48Å; W233-I246 HydrophobicContact CZ2-CG2 4.27Å; K235-I246 VanDerWaalsContact CE-O 3.28Å; K235-I246 WeakPolarHBondContact CE-O 3.06Å; K235-I246 PolarHBondContact NZ-O 3.44Å; R237-I246 VanDerWaalsContact NH1-CG2 3.35Å; R237-I246 WeakPolarHBondContact O-CG2 3.33Å; S238-I246 WeakPolarHBondContact O-CG2 3.45Å |
| 247 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | 84.4 | 150.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K235 T236 S238 | K235-G247 WeakPolarHBondContact CD-O 3.38Å; K235-G247 WeakPolarHBondContact CE-O 3.32Å; K235-G247 PolarHBondContact NZ-O 2.93Å; T236-G247 WeakPolarHBondContact O-CA 3.29Å; T236-G247 WeakPolarHBondContact OG1-CA 3.44Å; S238-G247 PolarHBondContact O-N 3.48Å | ||
| 248 | T | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -114.6 | 147.9 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 108.1 | K235 T236 H240 P250 N253 Y272 E280 | K235-T248 WeakPolarHBondContact CA-O 3.04Å; K235-T248 VanDerWaalsContact CB-O 3.27Å; K235-T248 WeakPolarHBondContact CB-O 3.47Å; T236-T248 PolarHBondContact N-O 3.22Å; T236-T248 PolarHBondContact OG1-N 3.21Å; T236-T248 PolarHBondContact OG1-O 3.31Å; H240-T248 PolarHBondContact CE1-OG1 3.02Å; T248-P250 VanDerWaalsContact O-CD 3.23Å; T248-P250 WeakPolarHBondContact O-CD 3.09Å; T248-N253 HydrophobicContact CG2-CB 4.03Å; T248-Y272 WeakPolarHBondContact CG2-O 3.03Å; T248-E280 WeakPolarHBondContact CB-OE1 3.42Å; T248-E280 WeakPolarHBondContact CB-OE2 3.11Å; T248-E280 HydrophobicContact CG2-CG 3.68Å; T248-E280 PolarHBondContact OG1-OE1 2.79Å; T248-E280 PolarHBondContact OG1-OE2 2.98Å | ||
| 249 | D | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -70.5 | 111.4 | 167.7 | -174.9 | -17.8 | 0 | 0 | 0 | 108.8 | H176 R234 N251 R252 Y272 | H176-D249 IonicContact CD2-OD1 3.58Å; H176-D249 IonicContact NE2-OD1 3.63Å; H176-D249 PolarHBondContact NE2-OD1 3.26Å; H176-D249 VanDerWaalsContact NE2-OD1 3.13Å; R234-D249 IonicContact CZ-OD2 3.17Å; R234-D249 IonicContact NE-OD1 3.21Å; R234-D249 IonicContact NE-OD2 3.86Å; R234-D249 PolarHBondContact NE-OD2 2.9Å; R234-D249 IonicContact NH2-OD1 3.7Å; R234-D249 IonicContact NH2-OD2 2.8Å; R234-D249 PolarHBondContact NH2-OD2 3.12Å; D249-N251 PolarHBondContact O-N 2.96Å; D249-N251 PolarHBondContact OD1-N 3.21Å; D249-R252 HydrophobicContact CB-CB 4.07Å; D249-R252 HydrophobicContact CB-CG 3.89Å; D249-R252 PolarHBondContact O-N 3.48Å; D249-R252 WeakPolarHBondContact OD2-CG 3.47Å; D249-Y272 WeakPolarHBondContact CB-O 3.46Å; D249-Y272 PolarHBondContact N-O 3.1Å | ||
| 250 | P | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -63 | -26.4 | -177 | 25.3 | -31.7 | 0 | 0 | 0 | 112.3 | F175 T236 T248 R252 N253 F254 T283 | F175-P250 HydrophobicContact CB-CG 4.31Å; F175-P250 HydrophobicContact CD1-CB 4.16Å; F175-P250 HydrophobicContact CD1-CG 4.35Å; F175-P250 WeakPolarHBondContact O-CG 3.25Å; T236-P250 HydrophobicContact CG2-CB 4.2Å; T236-P250 HydrophobicContact CG2-CG 4.41Å; T248-P250 VanDerWaalsContact O-CD 3.23Å; T248-P250 WeakPolarHBondContact O-CD 3.09Å; P250-R252 VanDerWaalsContact C-N 3.28Å; P250-R252 PolarHBondContact O-N 3.15Å; P250-N253 PolarHBondContact O-N 3.25Å; P250-F254 WeakPolarHBondContact O-CD2 3.22Å; P250-F254 VanDerWaalsContact O-CE2 3.25Å; P250-F254 WeakPolarHBondContact O-CE2 3.28Å; P250-T283 HydrophobicContact CB-CG2 3.78Å; P250-T283 WeakPolarHBondContact O-CG2 3.41Å |
| 251 | N | 98.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -91.6 | 17.6 | 177.8 | -153.2 | 28.7 | 0 | 0 | 0 | 113.4 | F175 D249 G360 G361 S362 | F175-N251 HydrophobicContact CD1-CB 4.08Å; D249-N251 PolarHBondContact O-N 2.96Å; D249-N251 PolarHBondContact OD1-N 3.21Å; N251-G360 CarbonylContact C-O 3.33Å; N251-G360 CarbonylContact O-C 3.57Å; N251-G361 WeakPolarHBondContact OD1-CA 3.32Å; N251-S362 PolarHBondContact OD1-N 2.78Å |
| 252 | R | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -121.7 | 9 | 165.9 | -60.7 | -64.4 | 177.6 | -94.6 | 0.6 | 112.1 | D56 D249 P250 G262 A263 C273 A359 G360 | D56-R252 IonicContact OD1-NH2 3.85Å; D56-R252 IonicContact OD2-CZ 2.73Å; D56-R252 IonicContact OD2-NH2 3.3Å; D56-R252 PolarHBondContact OD2-NH2 3.34Å; D249-R252 HydrophobicContact CB-CB 4.07Å; D249-R252 HydrophobicContact CB-CG 3.89Å; D249-R252 PolarHBondContact O-N 3.48Å; D249-R252 WeakPolarHBondContact OD2-CG 3.47Å; P250-R252 VanDerWaalsContact C-N 3.28Å; P250-R252 PolarHBondContact O-N 3.15Å; R252-G262 PolarHBondContact NE-O 3.43Å; R252-A263 HydrophobicContact CB-CB 4.08Å; R252-A263 HydrophobicContact CG-CB 4.1Å; R252-C273 HydrophobicContact CB-CB 4.27Å; R252-A359 WeakPolarHBondContact CD-O 3.44Å; R252-G360 CarbonylContact C-O 3.57Å; R252-G360 WeakPolarHBondContact CA-O 3.26Å |
| 253 | N | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -110.8 | -1.3 | -167.6 | -166.3 | -115.4 | 0 | 0 | 0 | 113.5 | T248 P250 C273 A276 A277 E278 S279 E280 T283 G360 | T248-N253 HydrophobicContact CG2-CB 4.03Å; P250-N253 PolarHBondContact O-N 3.25Å; N253-C273 PolarHBondContact ND2-O 2.85Å; N253-A276 PolarHBondContact ND2-O 3.45Å; N253-A277 CarbonylContact O-C 3.57Å; N253-E278 PolarHBondContact O-N 3.29Å; N253-E278 WeakPolarHBondContact OD1-CA 3.18Å; N253-S279 PolarHBondContact ND2-OG 3.06Å; N253-S279 PolarHBondContact OD1-N 2.81Å; N253-S279 VanDerWaalsContact OD1-N 3.09Å; N253-E280 HydrophobicContact CB-CG 4.49Å; N253-E280 PolarHBondContact OD1-N 3.05Å; N253-E280 VanDerWaalsContact OD1-N 3.16Å; N253-T283 HydrophobicContact CB-CG2 4.25Å; N253-T283 PolarHBondContact OD1-OG1 2.92Å; N253-G360 PolarHBondContact N-O 2.86Å | ||
| 254 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -82.6 | 158 | 176.9 | -70.2 | -100.3 | 0 | 0 | 0 | 112 | F175 P250 A256 W258 T283 L286 A287 G360 W365 | F175-F254 AromaticContact CE1-CE2 3.58Å; F175-F254 HydrophobicContact CE1-CE2 3.58Å; F175-F254 AromaticContact CE1-CZ 3.97Å; F175-F254 HydrophobicContact CE1-CZ 3.97Å; F175-F254 HydrophobicContact CZ-CE2 4.11Å; F175-F254 HydrophobicContact CZ-CZ 4.02Å; P250-F254 WeakPolarHBondContact O-CD2 3.22Å; P250-F254 VanDerWaalsContact O-CE2 3.25Å; P250-F254 WeakPolarHBondContact O-CE2 3.28Å; F254-A256 PolarHBondContact O-N 3.34Å; F254-W258 WeakPolarHBondContact O-CB 3.41Å; F254-T283 HydrophobicContact CD2-CG2 4.34Å; F254-T283 HydrophobicContact CE2-CG2 3.49Å; F254-T283 VanDerWaalsContact CE2-CG2 3.49Å; F254-T283 HydrophobicContact CZ-CG2 3.79Å; F254-L286 HydrophobicContact CE1-CD2 4.39Å; F254-L286 HydrophobicContact CE1-CG 4.49Å; F254-L286 HydrophobicContact CZ-CD2 3.98Å; F254-L286 HydrophobicContact CZ-CG 4.48Å; F254-A287 HydrophobicContact CE1-CB 4.31Å; F254-G360 WeakPolarHBondContact CB-O 3.25Å; F254-G360 PolarHBondContact N-O 3.16Å; F254-G360 VanDerWaalsContact O-CA 3.23Å; F254-G360 WeakPolarHBondContact O-CA 3.37Å; F254-W365 HydrophobicContact CB-CB 3.8Å; F254-W365 HydrophobicContact CB-CG 4.07Å; F254-W365 HydrophobicContact CD1-CB 4.3Å; F254-W365 AromaticContact CD1-CD2 3.94Å; F254-W365 HydrophobicContact CD1-CD2 3.94Å; F254-W365 HydrophobicContact CD1-CE3 4.01Å; F254-W365 HydrophobicContact CD1-CG 4.05Å; F254-W365 HydrophobicContact CE1-CE3 4.39Å; F254-W365 HydrophobicContact CG-CB 4.39Å |
| 255 | D | 98.8 | Very high | 98.1 | Very high | 105 Ų | 105 | 35 Ų | 35 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -81 | 61.7 | -178.6 | -165.8 | 24.6 | 0 | 0 | 0 | 112.3 | A277 | D255-A277 HydrophobicContact CB-CB 3.97Š|
| 256 | A | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -135.9 | 90.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F254 W258 Y316 G360 D364 W365 | F254-A256 PolarHBondContact O-N 3.34Å; A256-W258 PolarHBondContact O-N 2.8Å; A256-Y316 HydrophobicContact CB-CD1 3.94Å; A256-Y316 HydrophobicContact CB-CE1 3.96Å; A256-G360 PolarHBondContact O-N 2.9Å; A256-D364 HydrophobicContact CB-CB 4.03Å; A256-W365 HydrophobicContact CB-CB 3.9Å |
| 257 | G | 98 | Very high | 98.1 | Very high | 16 Ų | 16 | 36 Ų | 36 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 59.4 | 32 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | C259 E260 A359 | G257-C259 PolarHBondContact O-N 3.17Å; G257-C259 VanDerWaalsContact O-N 3.15Å; G257-E260 VanDerWaalsContact O-CB 3.26Å; G257-E260 WeakPolarHBondContact O-CB 3.4Å; G257-E260 VanDerWaalsContact O-CG 3.3Å; G257-E260 WeakPolarHBondContact O-CG 3.48Å; G257-E260 PolarHBondContact O-N 3.42Å; G257-A359 WeakPolarHBondContact O-CB 3.3Å |
| 258 | W | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 20% | 0.197 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | 120.9 | -164.1 | 172.4 | 74.6 | 0 | 0 | 0 | 113.1 | F254 A256 E260 C273 G274 A276 A277 | F254-W258 WeakPolarHBondContact O-CB 3.41Å; A256-W258 PolarHBondContact O-N 2.8Å; W258-E260 PolarHBondContact O-N 3.12Å; W258-E260 VanDerWaalsContact O-N 3.15Å; W258-C273 PolarHBondContact NE1-O 3.41Å; W258-G274 WeakPolarHBondContact CZ2-O 3.49Å; W258-A276 VanDerWaalsContact CH2-CA 3.41Å; W258-A277 HydrophobicContact CB-CB 3.92Å; W258-A277 HydrophobicContact CD2-CB 3.93Å; W258-A277 VanDerWaalsContact CE2-N 3.25Å; W258-A277 HydrophobicContact CE3-CB 4.5Å; W258-A277 HydrophobicContact CG-CB 3.61Å |
| 259 | C | 97.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 22.6 | 176.9 | -149.6 | 0 | 0 | 0 | 0 | 115.6 | G257 C273 | G257-C259 PolarHBondContact O-N 3.17Å; G257-C259 VanDerWaalsContact O-N 3.15Å; C259-C273 HydrophobicContact CB-CB 3.5Å; C259-C273 VanDerWaalsContact CB-CB 3.5Å; C259-C273 WeakPolarHBondContact CB-SG 3.47Å; C259-C273 WeakPolarHBondContact SG-CB 3.19Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.43Å |
| 260 | E | 97.6 | Very high | 97.8 | Very high | 147 Ų | 147 | 44.9 Ų | 44.9 | 69% | 0.687 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -44.8 | 175.8 | -69 | -179.7 | -170.7 | 0 | 0 | 112.2 | G257 W258 | G257-E260 VanDerWaalsContact O-CB 3.26Å; G257-E260 WeakPolarHBondContact O-CB 3.4Å; G257-E260 VanDerWaalsContact O-CG 3.3Å; G257-E260 WeakPolarHBondContact O-CG 3.48Å; G257-E260 PolarHBondContact O-N 3.42Å; W258-E260 PolarHBondContact O-N 3.12Å; W258-E260 VanDerWaalsContact O-N 3.15Å |
| 261 | I | 96.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 45 Ų | 45 | 37% | 0.369 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -143.6 | 154.2 | -179.9 | 66.3 | 171.9 | 0 | 0 | 0 | 112 | A263 Y316 P357 A359 | I261-A263 PolarHBondContact O-N 3.48Å; I261-A263 VanDerWaalsContact O-N 3.13Å; I261-Y316 WeakPolarHBondContact CD1-O 3.46Å; I261-P357 HydrophobicContact CD1-CB 3.5Å; I261-P357 VanDerWaalsContact CD1-CB 3.5Å; I261-A359 HydrophobicContact CG1-CB 4.08Å; I261-A359 VanDerWaalsContact O-CB 3.3Å; I261-A359 WeakPolarHBondContact O-CB 3.27Å; I261-A359 PolarHBondContact O-N 2.96Å |
| 262 | G | 95.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 45 Ų | 45 | 12% | 0.124 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 60.3 | 24.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q60 R252 | Q60-G262 VanDerWaalsContact NE2-CA 3.31Å; Q60-G262 VanDerWaalsContact OE1-CA 3.25Å; R252-G262 PolarHBondContact NE-O 3.43Å |
| 263 | A | 97.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 20% | 0.198 | 23% | 0.23 | C | C | . | . | trans | -138.3 | 163.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | R252 I261 C273 | R252-A263 HydrophobicContact CB-CB 4.08Å; R252-A263 HydrophobicContact CG-CB 4.1Å; I261-A263 PolarHBondContact O-N 3.48Å; I261-A263 VanDerWaalsContact O-N 3.13Å; A263-C273 HydrophobicContact CB-CB 3.9Å | ||
| 264 | S | 97.9 | Very high | 97.7 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 148.1 | 176.6 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | N266 D269 T271 Y272 C273 | S264-N266 WeakPolarHBondContact OG-CB 3.44Å; S264-N266 PolarHBondContact OG-N 3.12Å; S264-D269 WeakPolarHBondContact CB-OD2 3.39Å; S264-D269 PolarHBondContact OG-OD2 3.36Å; S264-T271 PolarHBondContact N-O 2.82Å; S264-Y272 CarbonylContact O-C 3.58Å; S264-Y272 WeakPolarHBondContact O-CA 3.46Å; S264-Y272 WeakPolarHBondContact O-CD2 3.31Å; S264-C273 PolarHBondContact O-N 3.11Å; S264-C273 PolarHBondContact O-SG 3.49Å |
| 265 | R | 97.7 | Very high | 97.7 | Very high | 174 Ų | 174 | 48.7 Ų | 48.7 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -92.5 | -5 | 167.8 | -66.5 | -171.5 | -178.2 | -104.9 | -5.6 | 113.1 | P267 Y272 | R265-P267 WeakPolarHBondContact O-CD 3.48Å; R265-Y272 WeakPolarHBondContact O-CE2 3.21Å |
| 266 | N | 97.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | trans | -83.2 | 119.4 | 176.4 | 178.6 | 9.7 | 0 | 0 | 0 | 110.1 | S264 C268 D269 Y272 | S264-N266 WeakPolarHBondContact OG-CB 3.44Å; S264-N266 PolarHBondContact OG-N 3.12Å; N266-C268 PolarHBondContact O-N 2.95Å; N266-C268 PolarHBondContact OD1-N 2.87Å; N266-C268 VanDerWaalsContact OD1-N 3.15Å; N266-D269 HydrophobicContact CB-CB 4.42Å; N266-D269 PolarHBondContact ND2-OD1 3.11Å; N266-D269 PolarHBondContact O-N 3.34Å; N266-Y272 VanDerWaalsContact C-CD2 3.47Å; N266-Y272 WeakPolarHBondContact O-CB 3.19Å; N266-Y272 WeakPolarHBondContact O-CD2 3.47Å | ||
| 267 | P | 97.8 | Very high | 97.7 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.9 | 179.6 | -25.3 | 35.2 | 0 | 0 | 0 | 115.1 | K235 C245 R265 Y272 | K235-P267 PolarHBondContact NZ-O 2.79Å; C245-P267 HydrophobicContact CB-CB 4.29Å; C245-P267 WeakPolarHBondContact CB-O 3.41Å; R265-P267 WeakPolarHBondContact O-CD 3.48Å; P267-Y272 HydrophobicContact CB-CD1 4.32Å; P267-Y272 HydrophobicContact CB-CE1 4.11Å; P267-Y272 HydrophobicContact CB-CE2 4.47Å; P267-Y272 HydrophobicContact CG-CE1 4.35Å; P267-Y272 HydrophobicContact CG-CE2 4.1Å |
| 268 | C | 96.3 | Very high | 97.7 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 40% | 0.399 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.5 | 179.3 | -56.6 | 0 | 0 | 0 | 0 | 114 | C245 N266 | C245-C268 HydrophobicContact CB-CB 3.85Å; C245-C268 WeakPolarHBondContact CB-SG 3.31Å; C245-C268 WeakPolarHBondContact SG-CA 3.31Å; C245-C268 WeakPolarHBondContact SG-CB 3.42Å; C245-C268 CovalentContact SG-SG 2.03Å; C245-C268 PolarHBondContact SG-SG 2.96Å; N266-C268 PolarHBondContact O-N 2.95Å; N266-C268 PolarHBondContact OD1-N 2.87Å; N266-C268 VanDerWaalsContact OD1-N 3.15Å |
| 269 | D | 97 | Very high | 97.8 | Very high | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -77.1 | 149.6 | -178.1 | -67.3 | -0.5 | 0 | 0 | 0 | 110.7 | K235 S264 N266 T271 Y272 | K235-D269 WeakPolarHBondContact CD-O 3.47Å; K235-D269 WeakPolarHBondContact CE-O 3.46Å; K235-D269 PolarHBondContact NZ-O 3.47Å; S264-D269 WeakPolarHBondContact CB-OD2 3.39Å; S264-D269 PolarHBondContact OG-OD2 3.36Å; N266-D269 HydrophobicContact CB-CB 4.42Å; N266-D269 PolarHBondContact ND2-OD1 3.11Å; N266-D269 PolarHBondContact O-N 3.34Å; D269-T271 PolarHBondContact O-N 3.43Å; D269-Y272 WeakPolarHBondContact O-CB 3.21Å; D269-Y272 PolarHBondContact O-N 3.02Å |
| 270 | E | 97.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.7 | 178.5 | -69.2 | -58.8 | 141.3 | 0 | 0 | 112.9 | K235 | K235-E270 WeakPolarHBondContact CD-O 3.31Å; K235-E270 WeakPolarHBondContact CG-O 3.25Å |
| 271 | T | 98.2 | Very high | 97.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 24.2 | 178.3 | 58.5 | 0 | 0 | 0 | 0 | 112.8 | D56 S264 D269 C273 | D56-T271 HydrophobicContact CB-CG2 3.99Å; S264-T271 PolarHBondContact N-O 2.82Å; D269-T271 PolarHBondContact O-N 3.43Å; T271-C273 PolarHBondContact O-N 3.11Å |
| 272 | Y | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -56.6 | 125.1 | 177.4 | 177.8 | -129 | 0 | 0 | 0 | 111.2 | H240 T248 D249 S264 R265 N266 P267 D269 G274 | H240-Y272 AromaticContact CE1-CE1 3.7Å; H240-Y272 AromaticContact NE2-CE1 3.61Å; T248-Y272 WeakPolarHBondContact CG2-O 3.03Å; D249-Y272 WeakPolarHBondContact CB-O 3.46Å; D249-Y272 PolarHBondContact N-O 3.1Å; S264-Y272 CarbonylContact O-C 3.58Å; S264-Y272 WeakPolarHBondContact O-CA 3.46Å; S264-Y272 WeakPolarHBondContact O-CD2 3.31Å; R265-Y272 WeakPolarHBondContact O-CE2 3.21Å; N266-Y272 VanDerWaalsContact C-CD2 3.47Å; N266-Y272 WeakPolarHBondContact O-CB 3.19Å; N266-Y272 WeakPolarHBondContact O-CD2 3.47Å; P267-Y272 HydrophobicContact CB-CD1 4.32Å; P267-Y272 HydrophobicContact CB-CE1 4.11Å; P267-Y272 HydrophobicContact CB-CE2 4.47Å; P267-Y272 HydrophobicContact CG-CE1 4.35Å; P267-Y272 HydrophobicContact CG-CE2 4.1Å; D269-Y272 WeakPolarHBondContact O-CB 3.21Å; D269-Y272 PolarHBondContact O-N 3.02Å; Y272-G274 VanDerWaalsContact C-N 3.3Å; Y272-G274 VanDerWaalsContact CE1-CA 3.43Å; Y272-G274 VanDerWaalsContact CZ-C 3.41Å; Y272-G274 PolarHBondContact O-N 2.86Å; Y272-G274 PolarHBondContact OH-O 3.04Å |
| 273 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | trans | -80.9 | -4 | -174.9 | 65.8 | 0 | 0 | 0 | 0 | 115 | R252 N253 W258 C259 A263 S264 T271 | R252-C273 HydrophobicContact CB-CB 4.27Å; N253-C273 PolarHBondContact ND2-O 2.85Å; W258-C273 PolarHBondContact NE1-O 3.41Å; C259-C273 HydrophobicContact CB-CB 3.5Å; C259-C273 VanDerWaalsContact CB-CB 3.5Å; C259-C273 WeakPolarHBondContact CB-SG 3.47Å; C259-C273 WeakPolarHBondContact SG-CB 3.19Å; C259-C273 CovalentContact SG-SG 2.03Å; C259-C273 PolarHBondContact SG-SG 3.43Å; A263-C273 HydrophobicContact CB-CB 3.9Å; S264-C273 PolarHBondContact O-N 3.11Å; S264-C273 PolarHBondContact O-SG 3.49Å; T271-C273 PolarHBondContact O-N 3.11Å | ||
| 274 | G | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | 88.5 | 172.8 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | W258 Y272 A276 | W258-G274 WeakPolarHBondContact CZ2-O 3.49Å; Y272-G274 VanDerWaalsContact C-N 3.3Å; Y272-G274 VanDerWaalsContact CE1-CA 3.43Å; Y272-G274 VanDerWaalsContact CZ-C 3.41Å; Y272-G274 PolarHBondContact O-N 2.86Å; Y272-G274 PolarHBondContact OH-O 3.04Å; G274-A276 VanDerWaalsContact C-N 3.32Å | ||
| 275 | P | 98.1 | Very high | 98.3 | Very high | 85 Ų | 85 | 43 Ų | 43 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -75.4 | -19.2 | 175.7 | 28.3 | -36.3 | 0 | 0 | 0 | 113.8 | S279 | P275-S279 WeakPolarHBondContact CD-OG 3.37Š|
| 276 | A | 98.7 | Very high | 98.3 | Very high | 46 Ų | 46 | 34.8 Ų | 34.8 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -155.3 | 161.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | N253 W258 G274 S279 | N253-A276 PolarHBondContact ND2-O 3.45Å; W258-A276 VanDerWaalsContact CH2-CA 3.41Å; G274-A276 VanDerWaalsContact C-N 3.32Å; A276-S279 VanDerWaalsContact O-CB 3.24Å; A276-S279 WeakPolarHBondContact O-CB 3.19Å; A276-S279 PolarHBondContact O-N 3.19Å; A276-S279 PolarHBondContact O-OG 3Å |
| 277 | A | 98.8 | Very high | 98.4 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 138.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N253 D255 W258 S279 | N253-A277 CarbonylContact O-C 3.57Å; D255-A277 HydrophobicContact CB-CB 3.97Å; W258-A277 HydrophobicContact CB-CB 3.92Å; W258-A277 HydrophobicContact CD2-CB 3.93Å; W258-A277 VanDerWaalsContact CE2-N 3.25Å; W258-A277 HydrophobicContact CE3-CB 4.5Å; W258-A277 HydrophobicContact CG-CB 3.61Å; A277-S279 PolarHBondContact O-N 3.06Å |
| 278 | E | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 33 Ų | 33 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.7 | -175.6 | -52.1 | 179.1 | -171.5 | 0 | 0 | 113.2 | N253 E280 K284 A287 R291 | N253-E278 PolarHBondContact O-N 3.29Å; N253-E278 WeakPolarHBondContact OD1-CA 3.18Å; E278-E280 VanDerWaalsContact C-N 3.32Å; E278-K284 HydrophobicContact CB-CB 4.42Å; E278-K284 HydrophobicContact CB-CD 3.84Å; E278-K284 WeakPolarHBondContact OE2-CD 3.39Å; E278-K284 IonicContact OE2-NZ 3.52Å; E278-K284 PolarHBondContact OE2-NZ 3.19Å; E278-A287 HydrophobicContact CG-CB 4.38Å; E278-R291 IonicContact OE1-CZ 3.56Å; E278-R291 IonicContact OE1-NH1 2.73Å; E278-R291 PolarHBondContact OE1-NH1 3.45Å; E278-R291 IonicContact OE1-NH2 3.48Å; E278-R291 PolarHBondContact OE1-NH2 3.41Å; E278-R291 IonicContact OE2-CZ 3.51Å; E278-R291 IonicContact OE2-NH1 3.58Å; E278-R291 PolarHBondContact OE2-NH1 3.22Å; E278-R291 IonicContact OE2-NH2 2.71Å; E278-R291 PolarHBondContact OE2-NH2 3.41Å |
| 279 | S | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 31.6 Ų | 31.6 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -69.8 | -29.2 | 176.3 | 62.4 | 0 | 0 | 0 | 0 | 113.3 | N253 P275 A276 A277 | N253-S279 PolarHBondContact ND2-OG 3.06Å; N253-S279 PolarHBondContact OD1-N 2.81Å; N253-S279 VanDerWaalsContact OD1-N 3.09Å; P275-S279 WeakPolarHBondContact CD-OG 3.37Å; A276-S279 VanDerWaalsContact O-CB 3.24Å; A276-S279 WeakPolarHBondContact O-CB 3.19Å; A276-S279 PolarHBondContact O-N 3.19Å; A276-S279 PolarHBondContact O-OG 3Å; A277-S279 PolarHBondContact O-N 3.06Å | ||
| 280 | E | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 2% | 0.023 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -77.6 | 135.8 | 178.6 | -50.8 | -54 | 110.7 | 0 | 0 | 109.7 | T236 S238 T248 N253 E278 E282 T283 K284 | T236-E280 WeakPolarHBondContact CB-OE2 3.35Å; T236-E280 HydrophobicContact CG2-CB 4.23Å; T236-E280 HydrophobicContact CG2-CG 3.96Å; T236-E280 PolarHBondContact OG1-OE2 3.2Å; S238-E280 VanDerWaalsContact CB-OE2 3.26Å; S238-E280 WeakPolarHBondContact CB-OE2 3.46Å; S238-E280 PolarHBondContact OG-OE2 3.14Å; T248-E280 WeakPolarHBondContact CB-OE1 3.42Å; T248-E280 WeakPolarHBondContact CB-OE2 3.11Å; T248-E280 HydrophobicContact CG2-CG 3.68Å; T248-E280 PolarHBondContact OG1-OE1 2.79Å; T248-E280 PolarHBondContact OG1-OE2 2.98Å; N253-E280 HydrophobicContact CB-CG 4.49Å; N253-E280 PolarHBondContact OD1-N 3.05Å; N253-E280 VanDerWaalsContact OD1-N 3.16Å; E278-E280 VanDerWaalsContact C-N 3.32Å; E280-E282 PolarHBondContact O-N 3.4Å; E280-T283 HydrophobicContact CB-CG2 4.26Å; E280-T283 WeakPolarHBondContact CB-OG1 3.26Å; E280-T283 PolarHBondContact O-N 3.43Å; E280-T283 PolarHBondContact O-OG1 2.92Å; E280-T283 VanDerWaalsContact O-OG1 3.05Å; E280-K284 VanDerWaalsContact O-CB 3.26Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 PolarHBondContact O-N 2.85Å |
| 281 | K | 98.9 | Very high | 98.8 | Very high | 103 Ų | 103 | 29.1 Ų | 29.1 | 45% | 0.448 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -32.3 | -179.6 | -66.8 | -173.4 | -177.5 | 173.3 | 0 | 111.5 | T147 A285 | T147-K281 VanDerWaalsContact O-CB 3.26Å; T147-K281 WeakPolarHBondContact O-CB 3.49Å; K281-A285 VanDerWaalsContact O-CB 3.24Å; K281-A285 WeakPolarHBondContact O-CB 3.47Å; K281-A285 PolarHBondContact O-N 2.65Å |
| 282 | E | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.9 | -54.3 | 179.1 | -58.6 | 80.1 | -179.7 | 0 | 0 | 111 | T148 F149 I154 L218 E280 K284 A285 L286 | T148-E282 VanDerWaalsContact CA-OE1 3.28Å; T148-E282 WeakPolarHBondContact CA-OE1 3.43Å; T148-E282 VanDerWaalsContact CB-OE1 3.23Å; T148-E282 WeakPolarHBondContact CB-OE1 3.47Å; T148-E282 HydrophobicContact CG2-CG 4.03Å; F149-E282 PolarHBondContact N-OE1 2.9Å; I154-E282 HydrophobicContact CD1-CB 4.25Å; I154-E282 HydrophobicContact CD1-CG 4.13Å; L218-E282 HydrophobicContact CD1-CB 4.05Å; L218-E282 HydrophobicContact CG-CB 4.08Å; E280-E282 PolarHBondContact O-N 3.4Å; E282-K284 VanDerWaalsContact C-N 3.31Å; E282-K284 PolarHBondContact O-N 3.09Å; E282-A285 PolarHBondContact O-N 3.13Å; E282-L286 PolarHBondContact O-N 2.93Å; E282-L286 VanDerWaalsContact O-N 3.11Å |
| 283 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.4 | -37.6 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 111 | P250 N253 F254 E280 L286 A287 | P250-T283 HydrophobicContact CB-CG2 3.78Å; P250-T283 WeakPolarHBondContact O-CG2 3.41Å; N253-T283 HydrophobicContact CB-CG2 4.25Å; N253-T283 PolarHBondContact OD1-OG1 2.92Å; F254-T283 HydrophobicContact CD2-CG2 4.34Å; F254-T283 HydrophobicContact CE2-CG2 3.49Å; F254-T283 VanDerWaalsContact CE2-CG2 3.49Å; F254-T283 HydrophobicContact CZ-CG2 3.79Å; E280-T283 HydrophobicContact CB-CG2 4.26Å; E280-T283 WeakPolarHBondContact CB-OG1 3.26Å; E280-T283 PolarHBondContact O-N 3.43Å; E280-T283 PolarHBondContact O-OG1 2.92Å; E280-T283 VanDerWaalsContact O-OG1 3.05Å; T283-L286 PolarHBondContact O-N 2.69Å; T283-A287 WeakPolarHBondContact O-CB 3.48Å; T283-A287 PolarHBondContact O-N 3.24Å |
| 284 | K | 98.9 | Very high | 98.8 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -47.7 | 175 | -175.1 | 63 | -174.3 | 177.5 | 0 | 112.4 | E278 E280 E282 L286 A287 D288 | E278-K284 HydrophobicContact CB-CB 4.42Å; E278-K284 HydrophobicContact CB-CD 3.84Å; E278-K284 WeakPolarHBondContact OE2-CD 3.39Å; E278-K284 IonicContact OE2-NZ 3.52Å; E278-K284 PolarHBondContact OE2-NZ 3.19Å; E280-K284 VanDerWaalsContact O-CB 3.26Å; E280-K284 WeakPolarHBondContact O-CB 3.39Å; E280-K284 PolarHBondContact O-N 2.85Å; E282-K284 VanDerWaalsContact C-N 3.31Å; E282-K284 PolarHBondContact O-N 3.09Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.97Å; K284-A287 PolarHBondContact O-N 2.89Å; K284-D288 WeakPolarHBondContact CE-OD1 3.43Å; K284-D288 WeakPolarHBondContact CE-OD2 3.21Å; K284-D288 IonicContact NZ-OD1 3.2Å; K284-D288 WeakPolarHBondContact O-CB 3.12Å; K284-D288 PolarHBondContact O-N 3.47Å |
| 285 | A | 98.9 | Very high | 98.7 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | I145 I154 K281 E282 F289 | I145-A285 HydrophobicContact CG1-CB 4.46Å; I154-A285 HydrophobicContact CD1-CB 4.11Å; K281-A285 VanDerWaalsContact O-CB 3.24Å; K281-A285 WeakPolarHBondContact O-CB 3.47Å; K281-A285 PolarHBondContact O-N 2.65Å; E282-A285 PolarHBondContact O-N 3.13Å; A285-F289 WeakPolarHBondContact O-CB 3.3Å; A285-F289 PolarHBondContact O-N 2.88Å |
| 286 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -49.8 | 175 | 175.5 | 54.5 | 0 | 0 | 0 | 111.7 | F170 F175 L215 L218 F254 E282 T283 K284 D288 F289 I290 | F170-L286 HydrophobicContact CD1-CD1 4.26Å; F170-L286 HydrophobicContact CE1-CD1 3.28Å; F170-L286 HydrophobicContact CE2-CD1 4.11Å; F170-L286 HydrophobicContact CZ-CD1 3.2Å; F175-L286 HydrophobicContact CE2-CD2 3.78Å; F175-L286 HydrophobicContact CZ-CD2 3.47Å; F175-L286 VanDerWaalsContact CZ-CD2 3.47Å; L215-L286 HydrophobicContact CD1-CD1 4.31Å; L218-L286 HydrophobicContact CD1-CB 4.25Å; L218-L286 HydrophobicContact CD2-CD2 4Å; F254-L286 HydrophobicContact CE1-CD2 4.39Å; F254-L286 HydrophobicContact CE1-CG 4.49Å; F254-L286 HydrophobicContact CZ-CD2 3.98Å; F254-L286 HydrophobicContact CZ-CG 4.48Å; E282-L286 PolarHBondContact O-N 2.93Å; E282-L286 VanDerWaalsContact O-N 3.11Å; T283-L286 PolarHBondContact O-N 2.69Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-L286 PolarHBondContact O-N 2.97Å; L286-D288 PolarHBondContact O-N 3.44Å; L286-F289 PolarHBondContact O-N 3.17Å; L286-I290 HydrophobicContact CD1-CD1 3.65Å; L286-I290 HydrophobicContact CD1-CG1 4.12Å; L286-I290 HydrophobicContact CG-CD1 4.12Å; L286-I290 PolarHBondContact O-N 3.21Å |
| 287 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F254 E278 T283 K284 I290 R291 W365 | F254-A287 HydrophobicContact CE1-CB 4.31Å; E278-A287 HydrophobicContact CG-CB 4.38Å; T283-A287 WeakPolarHBondContact O-CB 3.48Å; T283-A287 PolarHBondContact O-N 3.24Å; K284-A287 PolarHBondContact O-N 2.89Å; A287-I290 PolarHBondContact O-N 3.06Å; A287-R291 WeakPolarHBondContact O-CB 3.43Å; A287-R291 WeakPolarHBondContact O-CG 3.4Å; A287-R291 PolarHBondContact O-N 3.15Å; A287-R291 PolarHBondContact O-NE 3.47Å; A287-W365 HydrophobicContact CB-CH2 3.88Å; A287-W365 HydrophobicContact CB-CZ2 3.78Å |
| 288 | D | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64 | -43.7 | 174.8 | -75 | -16.9 | 0 | 0 | 0 | 111.8 | K284 L286 I290 R291 N292 | K284-D288 WeakPolarHBondContact CE-OD1 3.43Å; K284-D288 WeakPolarHBondContact CE-OD2 3.21Å; K284-D288 IonicContact NZ-OD1 3.2Å; K284-D288 WeakPolarHBondContact O-CB 3.12Å; K284-D288 PolarHBondContact O-N 3.47Å; L286-D288 PolarHBondContact O-N 3.44Å; D288-I290 PolarHBondContact O-N 2.97Å; D288-R291 PolarHBondContact O-N 2.92Å; D288-R291 IonicContact OD1-CZ 3.52Å; D288-R291 IonicContact OD1-NE 3.82Å; D288-R291 IonicContact OD1-NH2 2.69Å; D288-R291 PolarHBondContact OD1-NH2 3.48Å; D288-N292 WeakPolarHBondContact O-CB 3.36Å; D288-N292 PolarHBondContact O-N 2.83Å; D288-N292 PolarHBondContact O-ND2 2.9Å |
| 289 | F | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 176 | -178.4 | -88.9 | 0 | 0 | 0 | 111.6 | I145 L156 F170 Y213 A285 L286 N292 N293 I297 | I145-F289 HydrophobicContact CB-CB 4.46Å; I145-F289 HydrophobicContact CB-CD2 4.31Å; I145-F289 HydrophobicContact CG2-CB 4.43Å; I145-F289 HydrophobicContact CG2-CD2 3.51Å; I145-F289 HydrophobicContact CG2-CE2 4.02Å; I145-F289 HydrophobicContact CG2-CG 4.09Å; L156-F289 HydrophobicContact CD2-CD1 4.17Å; L156-F289 HydrophobicContact CD2-CD2 4.08Å; L156-F289 HydrophobicContact CD2-CE1 3.6Å; L156-F289 HydrophobicContact CD2-CE2 3.49Å; L156-F289 VanDerWaalsContact CD2-CE2 3.49Å; L156-F289 HydrophobicContact CD2-CG 4.39Å; L156-F289 HydrophobicContact CD2-CZ 3.22Å; F170-F289 HydrophobicContact CD2-CD1 4.03Å; F170-F289 AromaticContact CD2-CE1 3.85Å; F170-F289 HydrophobicContact CD2-CE1 3.85Å; F170-F289 AromaticContact CE2-CD1 3.49Å; F170-F289 HydrophobicContact CE2-CD1 3.49Å; F170-F289 VanDerWaalsContact CE2-CD1 3.49Å; F170-F289 AromaticContact CE2-CE1 3.58Å; F170-F289 HydrophobicContact CE2-CE1 3.58Å; F170-F289 HydrophobicContact CZ-CD1 4.48Å; Y213-F289 HydrophobicContact CD1-CE1 4.27Å; Y213-F289 AromaticContact CD1-CZ 3.86Å; Y213-F289 HydrophobicContact CD1-CZ 3.86Å; Y213-F289 AromaticContact CD2-CE1 3.91Å; Y213-F289 HydrophobicContact CD2-CE1 3.91Å; Y213-F289 HydrophobicContact CD2-CZ 4.17Å; Y213-F289 AromaticContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE1-CZ 3.82Å; Y213-F289 HydrophobicContact CE2-CE1 4.16Å; Y213-F289 HydrophobicContact CE2-CZ 4.13Å; Y213-F289 AromaticContact CG-CE1 3.98Å; Y213-F289 HydrophobicContact CG-CE1 3.98Å; Y213-F289 HydrophobicContact CG-CZ 4.04Å; Y213-F289 AromaticContact CZ-CZ 3.97Å; A285-F289 WeakPolarHBondContact O-CB 3.3Å; A285-F289 PolarHBondContact O-N 2.88Å; L286-F289 PolarHBondContact O-N 3.17Å; F289-N292 PolarHBondContact O-N 3.25Å; F289-N293 HydrophobicContact CE1-CB 4.47Å; F289-N293 PolarHBondContact O-N 3.38Å; F289-N293 VanDerWaalsContact O-N 3.15Å; F289-N293 PolarHBondContact O-ND2 2.96Å; F289-I297 HydrophobicContact CE1-CD1 4.48Å |
| 290 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -45.8 | -179.8 | -71.2 | 172.1 | 0 | 0 | 0 | 110.6 | F170 L286 A287 D288 N292 N293 L294 I297 Y300 W365 I371 | F170-I290 HydrophobicContact CD1-CD1 4.36Å; F170-I290 HydrophobicContact CD2-CG1 4.34Å; F170-I290 HydrophobicContact CG-CD1 4.47Å; F170-I290 HydrophobicContact CG-CG1 4.49Å; L286-I290 HydrophobicContact CD1-CD1 3.65Å; L286-I290 HydrophobicContact CD1-CG1 4.12Å; L286-I290 HydrophobicContact CG-CD1 4.12Å; L286-I290 PolarHBondContact O-N 3.21Å; A287-I290 PolarHBondContact O-N 3.06Å; D288-I290 PolarHBondContact O-N 2.97Å; I290-N292 VanDerWaalsContact C-N 3.29Å; I290-N292 PolarHBondContact O-N 2.87Å; I290-N293 CarbonylContact O-C 3.53Å; I290-N293 PolarHBondContact O-N 3.17Å; I290-L294 HydrophobicContact CG2-CD1 4.38Å; I290-L294 WeakPolarHBondContact O-CA 3.13Å; I290-L294 PolarHBondContact O-N 3.29Å; I290-I297 HydrophobicContact CB-CD1 4.38Å; I290-I297 HydrophobicContact CG1-CD1 4.1Å; I290-I297 HydrophobicContact CG2-CD1 4.34Å; I290-Y300 HydrophobicContact CD1-CD2 3.83Å; I290-Y300 HydrophobicContact CD1-CE2 3.79Å; I290-W365 HydrophobicContact CB-CH2 3.75Å; I290-W365 HydrophobicContact CB-CZ3 3.89Å; I290-W365 HydrophobicContact CD1-CH2 4.47Å; I290-W365 HydrophobicContact CD1-CZ3 3.77Å; I290-W365 HydrophobicContact CG1-CZ3 4.42Å; I290-W365 HydrophobicContact CG2-CH2 3.66Å; I290-W365 HydrophobicContact CG2-CZ3 3.7Å; I290-I371 HydrophobicContact CG2-CD1 3.73Å |
| 291 | R | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 28% | 0.279 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.5 | -43.5 | 174.9 | -80.3 | -175.1 | -74.8 | -96.1 | -0.4 | 112.3 | E278 A287 D288 N293 W365 | E278-R291 IonicContact OE1-CZ 3.56Å; E278-R291 IonicContact OE1-NH1 2.73Å; E278-R291 PolarHBondContact OE1-NH1 3.45Å; E278-R291 IonicContact OE1-NH2 3.48Å; E278-R291 PolarHBondContact OE1-NH2 3.41Å; E278-R291 IonicContact OE2-CZ 3.51Å; E278-R291 IonicContact OE2-NH1 3.58Å; E278-R291 PolarHBondContact OE2-NH1 3.22Å; E278-R291 IonicContact OE2-NH2 2.71Å; E278-R291 PolarHBondContact OE2-NH2 3.41Å; A287-R291 WeakPolarHBondContact O-CB 3.43Å; A287-R291 WeakPolarHBondContact O-CG 3.4Å; A287-R291 PolarHBondContact O-N 3.15Å; A287-R291 PolarHBondContact O-NE 3.47Å; D288-R291 PolarHBondContact O-N 2.92Å; D288-R291 IonicContact OD1-CZ 3.52Å; D288-R291 IonicContact OD1-NE 3.82Å; D288-R291 IonicContact OD1-NH2 2.69Å; D288-R291 PolarHBondContact OD1-NH2 3.48Å; R291-N293 PolarHBondContact O-N 3.45Å; R291-W365 HydrophobicContact CG-CZ2 4.22Å |
| 292 | N | 98.7 | Very high | 98.8 | Very high | 132 Ų | 132 | 30.4 Ų | 30.4 | 71% | 0.706 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -69 | -20.2 | 179.7 | -71.8 | -29.5 | 0 | 0 | 0 | 113.7 | D288 F289 I290 | D288-N292 WeakPolarHBondContact O-CB 3.36Å; D288-N292 PolarHBondContact O-N 2.83Å; D288-N292 PolarHBondContact O-ND2 2.9Å; F289-N292 PolarHBondContact O-N 3.25Å; I290-N292 VanDerWaalsContact C-N 3.29Å; I290-N292 PolarHBondContact O-N 2.87Å |
| 293 | N | 98.6 | Very high | 98.8 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 13.7 | -176.8 | -66.5 | -85.9 | 0 | 0 | 0 | 113.1 | F289 I290 R291 S295 S296 I297 | F289-N293 HydrophobicContact CE1-CB 4.47Å; F289-N293 PolarHBondContact O-N 3.38Å; F289-N293 VanDerWaalsContact O-N 3.15Å; F289-N293 PolarHBondContact O-ND2 2.96Å; I290-N293 CarbonylContact O-C 3.53Å; I290-N293 PolarHBondContact O-N 3.17Å; R291-N293 PolarHBondContact O-N 3.45Å; N293-S295 VanDerWaalsContact C-N 3.26Å; N293-S295 PolarHBondContact O-N 2.63Å; N293-S296 PolarHBondContact O-N 3.45Å; N293-S296 PolarHBondContact O-OG 3.49Å; N293-I297 HydrophobicContact CB-CD1 3.83Å; N293-I297 HydrophobicContact CB-CG1 4.2Å; N293-I297 PolarHBondContact O-N 3.3Å; N293-I297 VanDerWaalsContact O-N 3.1Å |
| 294 | L | 98.3 | Very high | 98.8 | Very high | 54 Ų | 54 | 30.3 Ų | 30.3 | 28% | 0.283 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34 | -169 | -170.5 | 64.2 | 0 | 0 | 0 | 113.3 | I290 S296 Q369 I371 | I290-L294 HydrophobicContact CG2-CD1 4.38Å; I290-L294 WeakPolarHBondContact O-CA 3.13Å; I290-L294 PolarHBondContact O-N 3.29Å; L294-S296 PolarHBondContact O-N 3.2Å; L294-Q369 HydrophobicContact CD1-CB 3.94Å; L294-I371 HydrophobicContact CD1-CD1 4.05Å; L294-I371 HydrophobicContact CD1-CG1 3.88Å |
| 295 | S | 97.9 | Very high | 98.8 | Very high | 106 Ų | 106 | 26.7 Ų | 26.7 | 74% | 0.741 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26 | 176.8 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | N293 K298 | N293-S295 VanDerWaalsContact C-N 3.26Å; N293-S295 PolarHBondContact O-N 2.63Å; S295-K298 WeakPolarHBondContact O-CE 3.49Å; S295-K298 PolarHBondContact O-NZ 3.35Å |
| 296 | S | 98.4 | Very high | 98.8 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 17% | 0.168 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -34.5 | -177.3 | 70.3 | 0 | 0 | 0 | 0 | 113.4 | P167 A168 N293 L294 K298 | P167-S296 CarbonylContact C-O 3.57Å; P167-S296 WeakPolarHBondContact CA-O 3.08Å; A168-S296 PolarHBondContact N-O 3.43Å; N293-S296 PolarHBondContact O-N 3.45Å; N293-S296 PolarHBondContact O-OG 3.49Å; L294-S296 PolarHBondContact O-N 3.2Å; S296-K298 WeakPolarHBondContact O-CG 3.36Å; S296-K298 PolarHBondContact O-N 2.91Å |
| 297 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.3 | -175.7 | -62.9 | 169 | 0 | 0 | 0 | 109.2 | A168 F170 Y213 F289 I290 N293 A299 I371 | A168-I297 HydrophobicContact CB-CG1 4.27Å; A168-I297 CarbonylContact O-C 3.58Å; A168-I297 WeakPolarHBondContact O-CA 3.41Å; F170-I297 HydrophobicContact CB-CD1 4.47Å; F170-I297 HydrophobicContact CB-CG2 4.11Å; F170-I297 HydrophobicContact CD2-CD1 4.3Å; Y213-I297 HydrophobicContact CD2-CG1 4.35Å; Y213-I297 HydrophobicContact CE2-CG1 4.36Å; F289-I297 HydrophobicContact CE1-CD1 4.48Å; I290-I297 HydrophobicContact CB-CD1 4.38Å; I290-I297 HydrophobicContact CG1-CD1 4.1Å; I290-I297 HydrophobicContact CG2-CD1 4.34Å; N293-I297 HydrophobicContact CB-CD1 3.83Å; N293-I297 HydrophobicContact CB-CG1 4.2Å; N293-I297 PolarHBondContact O-N 3.3Å; N293-I297 VanDerWaalsContact O-N 3.1Å; I297-A299 WeakPolarHBondContact CG2-O 3.46Å; I297-I371 HydrophobicContact CB-CD1 4.36Å; I297-I371 HydrophobicContact CG2-CD1 3.74Å; I297-I371 HydrophobicContact CG2-CG1 4.29Å; I297-I371 HydrophobicContact CG2-CG2 4.39Å |
| 298 | K | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 28.4 Ų | 28.4 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -22.6 | -177.8 | -54.9 | -55.9 | 168.8 | 178.9 | 0 | 113.3 | P167 A168 S295 S296 Y373 V412 L416 Y417 | P167-K298 HydrophobicContact CB-CG 3.7Å; A168-K298 PolarHBondContact O-N 2.9Å; S295-K298 WeakPolarHBondContact O-CE 3.49Å; S295-K298 PolarHBondContact O-NZ 3.35Å; S296-K298 WeakPolarHBondContact O-CG 3.36Å; S296-K298 PolarHBondContact O-N 2.91Å; K298-Y373 WeakPolarHBondContact O-CD2 3.48Å; K298-V412 HydrophobicContact CB-CG1 3.77Å; K298-L416 HydrophobicContact CG-CD2 4.06Å; K298-Y417 HydrophobicContact CB-CE1 4.07Å; K298-Y417 HydrophobicContact CD-CD1 4.33Å; K298-Y417 HydrophobicContact CD-CE1 3.95Å; K298-Y417 HydrophobicContact CD-CE2 4.19Å; K298-Y417 WeakPolarHBondContact CE-O 3.28Å; K298-Y417 PolarHBondContact NZ-O 3.03Å; K298-Y417 PolarHBondContact O-OH 3.28Å; K298-Y417 VanDerWaalsContact O-OH 3.06Å |
| 299 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 149.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I169 F170 I297 Y373 V412 | I169-A299 HydrophobicContact CD1-CB 4.48Å; I169-A299 HydrophobicContact CG1-CB 4.05Å; I169-A299 HydrophobicContact CG2-CB 4.18Å; F170-A299 PolarHBondContact N-O 3.44Å; I297-A299 WeakPolarHBondContact CG2-O 3.46Å; A299-Y373 CarbonylContact C-O 3.47Å; A299-Y373 WeakPolarHBondContact CA-O 3.43Å; A299-Y373 WeakPolarHBondContact CB-O 3.33Å; A299-V412 HydrophobicContact CB-CG1 4.4Å; A299-V412 HydrophobicContact CB-CG2 3.88Å |
| 300 | Y | 99 | Very high | 98.7 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.2 | 177 | 175.4 | -100 | 0 | 0 | 0 | 109 | F170 D172 I290 T302 S362 D363 A366 Y373 S374 F375 | F170-Y300 HydrophobicContact CB-CD2 4.18Å; F170-Y300 AromaticContact CD1-CD2 3.78Å; F170-Y300 HydrophobicContact CD1-CD2 3.78Å; F170-Y300 AromaticContact CD1-CE2 3.71Å; F170-Y300 HydrophobicContact CD1-CE2 3.71Å; F170-Y300 HydrophobicContact CE1-CE2 4.21Å; F170-Y300 HydrophobicContact CG-CD2 4.32Å; F170-Y300 CarbonylContact O-C 3.52Å; F170-Y300 WeakPolarHBondContact O-CA 3.28Å; D172-Y300 WeakPolarHBondContact OD2-CE2 3.37Å; D172-Y300 PolarHBondContact OD2-OH 3.41Å; I290-Y300 HydrophobicContact CD1-CD2 3.83Å; I290-Y300 HydrophobicContact CD1-CE2 3.79Å; Y300-T302 HydrophobicContact CE1-CG2 3.84Å; Y300-S362 VanDerWaalsContact OH-CB 3.23Å; Y300-S362 WeakPolarHBondContact OH-CB 3.22Å; Y300-S362 PolarHBondContact OH-OG 2.8Å; Y300-D363 HydrophobicContact CE1-CB 4.38Å; Y300-A366 HydrophobicContact CD1-CB 3.57Å; Y300-A366 HydrophobicContact CD2-CB 4.27Å; Y300-A366 HydrophobicContact CE1-CB 4.23Å; Y300-A366 HydrophobicContact CG-CB 3.59Å; Y300-Y373 PolarHBondContact N-O 2.76Å; Y300-S374 CarbonylContact O-C 3.56Å; Y300-S374 VanDerWaalsContact O-CA 3.31Å; Y300-S374 WeakPolarHBondContact O-CA 3.45Å; Y300-F375 PolarHBondContact O-N 3.29Å |
| 301 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 107.1 | -176.8 | -49.8 | 176.3 | 0 | 0 | 0 | 108.8 | I169 F170 I171 D172 F375 I405 I408 | I169-L301 HydrophobicContact CG2-CD1 3.89Å; I169-L301 HydrophobicContact CG2-CG 4.24Å; F170-L301 PolarHBondContact O-N 3.33Å; I171-L301 VanDerWaalsContact CA-O 3.25Å; I171-L301 WeakPolarHBondContact CA-O 3.36Å; I171-L301 HydrophobicContact CD1-CD1 4.15Å; I171-L301 HydrophobicContact CG1-CB 4.22Å; I171-L301 HydrophobicContact CG1-CD1 4.18Å; I171-L301 HydrophobicContact CG2-CB 4.41Å; D172-L301 PolarHBondContact N-O 3.44Å; D172-L301 VanDerWaalsContact N-O 3.13Å; L301-F375 WeakPolarHBondContact CA-O 3.43Å; L301-F375 HydrophobicContact CD2-CB 3.81Å; L301-F375 HydrophobicContact CD2-CD2 3.74Å; L301-F375 HydrophobicContact CD2-CG 4.24Å; L301-I405 HydrophobicContact CD1-CD1 3.64Å; L301-I405 HydrophobicContact CD1-CG2 4.22Å; L301-I408 HydrophobicContact CD1-CG2 4.41Å; L301-I408 HydrophobicContact CD2-CG2 4.19Å |
| 302 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 130.9 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | D172 Y300 H304 D363 F375 T376 L377 | D172-T302 WeakPolarHBondContact OD1-CA 3.19Å; D172-T302 VanDerWaalsContact OD1-CB 3.26Å; D172-T302 WeakPolarHBondContact OD1-CB 3.32Å; D172-T302 PolarHBondContact OD1-OG1 3.06Å; Y300-T302 HydrophobicContact CE1-CG2 3.84Å; T302-H304 PolarHBondContact OG1-CD2 2.91Å; T302-H304 VanDerWaalsContact OG1-CD2 3.23Å; T302-H304 PolarHBondContact OG1-NE2 3.11Å; T302-H304 VanDerWaalsContact OG1-NE2 3.09Å; T302-D363 HydrophobicContact CG2-CB 4.22Å; T302-F375 PolarHBondContact N-O 2.7Å; T302-T376 HydrophobicContact CG2-CG2 4.26Å; T302-T376 WeakPolarHBondContact CG2-OG1 3.48Å; T302-T376 WeakPolarHBondContact O-CA 3.41Å; T302-L377 PolarHBondContact O-N 3.48Å |
| 303 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.8 | -172.4 | -47.4 | -59.6 | 0 | 0 | 0 | 110.2 | I171 D172 S182 F185 L377 L379 I405 | I171-I303 HydrophobicContact CG2-CD1 4.25Å; I171-I303 HydrophobicContact CG2-CG1 3.84Å; D172-I303 WeakPolarHBondContact O-CB 3.15Å; D172-I303 WeakPolarHBondContact O-CG1 3.44Å; D172-I303 PolarHBondContact O-N 3.39Å; S182-I303 VanDerWaalsContact CB-O 3.26Å; S182-I303 WeakPolarHBondContact CB-O 3.27Å; S182-I303 PolarHBondContact OG-O 2.93Å; F185-I303 HydrophobicContact CD1-CB 4.44Å; F185-I303 HydrophobicContact CD1-CD1 4.35Å; F185-I303 HydrophobicContact CD1-CG1 3.92Å; F185-I303 HydrophobicContact CD1-CG2 3.93Å; F185-I303 HydrophobicContact CE1-CD1 4.13Å; F185-I303 HydrophobicContact CE1-CG1 4.06Å; F185-I303 HydrophobicContact CG-CG2 4.5Å; I303-L377 HydrophobicContact CD1-CB 3.9Å; I303-L377 HydrophobicContact CD1-CD1 3.79Å; I303-L377 HydrophobicContact CD1-CD2 4.27Å; I303-L377 HydrophobicContact CD1-CG 4.18Å; I303-L379 HydrophobicContact CG2-CD1 3.62Å; I303-L379 HydrophobicContact CG2-CD2 4.24Å; I303-L379 HydrophobicContact CG2-CG 3.85Å; I303-I405 HydrophobicContact CD1-CD1 4.37Å |
| 304 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 177.3 | -175.7 | -76.5 | -85.2 | 0 | 0 | 0 | 111.7 | H176 E179 T302 L377 E378 L379 | H176-H304 AromaticContact CE1-CE1 3.48Å; H176-H304 PolarHBondContact CE1-CE1 3.31Å; H176-H304 VanDerWaalsContact CE1-CE1 3.48Å; H176-H304 AromaticContact CE1-ND1 3.61Å; H176-H304 AromaticContact ND1-CE1 3.58Å; H176-H304 AromaticContact ND1-ND1 3.32Å; H176-H304 PolarHBondContact ND1-ND1 2.99Å; E179-H304 WeakPolarHBondContact OE2-CA 3.37Å; E179-H304 WeakPolarHBondContact OE2-CB 3.22Å; E179-H304 IonicContact OE2-CG 3.4Å; E179-H304 IonicContact OE2-ND1 3.43Å; E179-H304 PolarHBondContact OE2-ND1 3.17Å; T302-H304 PolarHBondContact OG1-CD2 2.91Å; T302-H304 VanDerWaalsContact OG1-CD2 3.23Å; T302-H304 PolarHBondContact OG1-NE2 3.11Å; T302-H304 VanDerWaalsContact OG1-NE2 3.09Å; H304-L377 CarbonylContact C-O 3.55Å; H304-L377 WeakPolarHBondContact CA-O 3.37Å; H304-L377 PolarHBondContact N-O 3.12Å; H304-L377 VanDerWaalsContact O-O 3.09Å; H304-E378 HydrophobicContact CB-CG 4.5Å; H304-E378 WeakPolarHBondContact CB-OE2 3.26Å; H304-L379 WeakPolarHBondContact O-CB 3.3Å; H304-L379 VanDerWaalsContact O-CG 3.31Å; H304-L379 WeakPolarHBondContact O-CG 3.49Å; H304-L379 PolarHBondContact O-N 3.17Å |
| 305 | S | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 157.1 | 165.1 | 65.1 | 0 | 0 | 0 | 0 | 109.7 | E179 I181 E378 F387 | E179-S305 VanDerWaalsContact CB-OG 3.27Å; E179-S305 WeakPolarHBondContact CB-OG 3.4Å; E179-S305 WeakPolarHBondContact CG-O 3.33Å; E179-S305 WeakPolarHBondContact CG-OG 3.46Å; E179-S305 VanDerWaalsContact OE1-O 3.09Å; E179-S305 PolarHBondContact OE2-N 2.8Å; I181-S305 VanDerWaalsContact CG2-CB 3.41Å; I181-S305 WeakPolarHBondContact CG2-OG 3.31Å; S305-E378 VanDerWaalsContact CA-OE2 3.23Å; S305-E378 WeakPolarHBondContact CA-OE2 3.21Å; S305-E378 PolarHBondContact N-OE2 3.44Å; S305-F387 VanDerWaalsContact O-CE1 3.26Å; S305-F387 WeakPolarHBondContact O-CE1 3.47Å |
| 306 | Y | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 9 Ų | 9 | 4% | 0.035 | 5% | 0.045 | C | C | . | . | S | Bend | cis | -120.5 | 160.2 | 1.9 | 65.4 | -84.9 | 0 | 0 | 0 | 108.8 | W53 D68 E378 L379 D381 G383 G386 F387 | W53-Y306 HydrophobicContact CB-CE1 4.15Å; W53-Y306 WeakPolarHBondContact CB-OH 3.39Å; W53-Y306 AromaticContact CE3-CE1 3.93Å; W53-Y306 HydrophobicContact CE3-CE1 3.93Å; D68-Y306 VanDerWaalsContact CB-OH 3.32Å; D68-Y306 WeakPolarHBondContact CB-OH 3.49Å; D68-Y306 PolarHBondContact OD2-OH 3.01Å; Y306-E378 PolarHBondContact N-OE2 3.41Å; Y306-L379 WeakPolarHBondContact CA-O 3.42Å; Y306-D381 WeakPolarHBondContact CB-O 3.45Å; Y306-D381 WeakPolarHBondContact CD2-O 3.42Å; Y306-G383 VanDerWaalsContact CE2-CA 3.47Å; Y306-G386 VanDerWaalsContact CD1-CA 3.48Å; Y306-F387 AromaticContact CD1-CD1 3.81Å; Y306-F387 HydrophobicContact CD1-CD1 3.81Å; Y306-F387 AromaticContact CD1-CE1 3.55Å; Y306-F387 HydrophobicContact CD1-CE1 3.55Å; Y306-F387 HydrophobicContact CD1-CE2 4.36Å; Y306-F387 HydrophobicContact CD1-CG 4.33Å; Y306-F387 AromaticContact CD1-CZ 3.83Å; Y306-F387 HydrophobicContact CD1-CZ 3.83Å; Y306-F387 HydrophobicContact CE1-CD1 4.33Å; Y306-F387 HydrophobicContact CE1-CD2 4.35Å; Y306-F387 AromaticContact CE1-CE1 3.89Å; Y306-F387 HydrophobicContact CE1-CE1 3.89Å; Y306-F387 AromaticContact CE1-CE2 3.92Å; Y306-F387 HydrophobicContact CE1-CE2 3.92Å; Y306-F387 AromaticContact CE1-CZ 3.65Å; Y306-F387 HydrophobicContact CE1-CZ 3.65Å |
| 307 | S | 98.3 | Very high | 98.7 | Very high | 11 Ų | 11 | 9.1 Ų | 9.1 | 8% | 0.077 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 165.2 | -5.6 | 156.1 | -84.5 | 0 | 0 | 0 | 0 | 112.9 | K54 L379 D381 | K54-S307 WeakPolarHBondContact CD-OG 3.26Å; K54-S307 VanDerWaalsContact CE-OG 3.32Å; K54-S307 WeakPolarHBondContact CE-OG 3.47Å; K54-S307 PolarHBondContact NZ-OG 3.48Å; S307-L379 PolarHBondContact N-O 3.23Å; S307-D381 CarbonylContact C-O 3.59Å; S307-D381 VanDerWaalsContact CA-O 3.22Å; S307-D381 WeakPolarHBondContact CA-O 3.5Å; S307-D381 PolarHBondContact N-O 3.38Å; S307-D381 VanDerWaalsContact N-O 3.09Å |
| 308 | Q | 98.8 | Very high | 98.6 | Very high | 25 Ų | 25 | 17.1 Ų | 17.1 | 12% | 0.117 | 8% | 0.079 | C | C | . | . | trans | 59.8 | 64.7 | -171.9 | -58.2 | 175.8 | -177.3 | 0 | 0 | 111.6 | T344 K345 Y346 T347 E378 L379 R380 T382 | Q308-T344 HydrophobicContact CG-CG2 4.17Å; Q308-K345 WeakPolarHBondContact CB-O 3.35Å; Q308-K345 PolarHBondContact NE2-O 3.34Å; Q308-Y346 HydrophobicContact CB-CD1 4.18Å; Q308-Y346 HydrophobicContact CB-CD2 3.7Å; Q308-Y346 HydrophobicContact CB-CE1 4.19Å; Q308-Y346 HydrophobicContact CB-CE2 3.72Å; Q308-Y346 HydrophobicContact CB-CG 3.93Å; Q308-Y346 HydrophobicContact CG-CD2 4.25Å; Q308-Y346 HydrophobicContact CG-CE2 3.81Å; Q308-Y346 CarbonylContact O-C 3.48Å; Q308-Y346 WeakPolarHBondContact O-CA 3.49Å; Q308-T347 PolarHBondContact O-N 3.09Å; Q308-E378 CarbonylContact C-O 3.56Å; Q308-E378 WeakPolarHBondContact CA-O 3.39Å; Q308-E378 PolarHBondContact N-O 2.89Å; Q308-L379 PolarHBondContact N-O 3.22Å; Q308-L379 VanDerWaalsContact N-O 3.1Å; Q308-R380 HydrophobicContact CG-CG 4.28Å; Q308-T382 HydrophobicContact CB-CG2 4.36Å; Q308-T382 HydrophobicContact CG-CG2 4.12Å | ||
| 309 | M | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 19.9 Ų | 19.9 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.2 | 178.4 | -49 | -171.1 | -85.8 | 0 | 0 | 111.8 | I311 Y346 T347 T354 I355 E378 | M309-I311 HydrophobicContact CB-CD1 3.81Å; M309-I311 HydrophobicContact CB-CG1 4.07Å; M309-I311 HydrophobicContact SD-CD1 4.44Å; M309-Y346 VanDerWaalsContact N-CD1 3.32Å; M309-T347 CarbonylContact C-O 3.59Å; M309-T347 VanDerWaalsContact CA-O 3.31Å; M309-T347 WeakPolarHBondContact CA-O 3.27Å; M309-T347 WeakPolarHBondContact CG-OG1 3.48Å; M309-T354 HydrophobicContact SD-CG2 4.48Å; M309-I355 HydrophobicContact CE-CD1 3.4Å; M309-I355 HydrophobicContact CE-CG1 3.59Å; M309-I355 HydrophobicContact SD-CD1 4.05Å; M309-I355 HydrophobicContact SD-CG1 3.75Å; M309-E378 HydrophobicContact CB-CB 4.02Å; M309-E378 HydrophobicContact CB-CG 4.43Å; M309-E378 HydrophobicContact CE-CB 4.29Å; M309-E378 HydrophobicContact CE-CG 4.03Å; M309-E378 HydrophobicContact CG-CB 4.44Å; M309-E378 PolarHBondContact N-O 3.4Å; M309-E378 PolarHBondContact O-N 3.2Å |
| 310 | L | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 105.5 | 168.8 | 176.2 | 64.1 | 0 | 0 | 0 | 108.9 | A331 A334 V335 T347 Y348 G349 F375 L377 | L310-A331 HydrophobicContact CD2-CB 3.76Å; L310-A331 HydrophobicContact CG-CB 4.16Å; L310-A334 HydrophobicContact CD2-CB 3.84Å; L310-V335 HydrophobicContact CB-CG1 3.77Å; L310-V335 HydrophobicContact CD2-CG1 3.89Å; L310-V335 HydrophobicContact CG-CG1 4.49Å; L310-T347 PolarHBondContact N-O 2.64Å; L310-Y348 WeakPolarHBondContact O-CA 3.17Å; L310-Y348 WeakPolarHBondContact O-CB 3.23Å; L310-G349 PolarHBondContact O-N 3.28Å; L310-F375 HydrophobicContact CD1-CB 3.95Å; L310-F375 HydrophobicContact CD1-CD1 3.96Å; L310-F375 HydrophobicContact CD1-CG 4.19Å; L310-F375 HydrophobicContact CG-CD1 4.25Å; L310-L377 HydrophobicContact CD1-CD1 3.69Å; L310-L377 HydrophobicContact CD1-CD2 4.38Å; L310-L377 HydrophobicContact CD1-CG 3.66Å |
| 311 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 150.3 | -169.7 | -52.5 | -61.1 | 0 | 0 | 0 | 109.8 | M309 G349 T354 I355 F375 T376 | M309-I311 HydrophobicContact CB-CD1 3.81Å; M309-I311 HydrophobicContact CB-CG1 4.07Å; M309-I311 HydrophobicContact SD-CD1 4.44Å; I311-G349 WeakPolarHBondContact CA-O 3.34Å; I311-T354 HydrophobicContact CD1-CG2 3.48Å; I311-T354 VanDerWaalsContact CD1-CG2 3.48Å; I311-I355 HydrophobicContact CD1-CD1 3.72Å; I311-I355 HydrophobicContact CD1-CG1 3.78Å; I311-I355 HydrophobicContact CG1-CD1 3.55Å; I311-I355 HydrophobicContact CG1-CG1 4.19Å; I311-F375 CarbonylContact O-C 3.45Å; I311-F375 WeakPolarHBondContact O-CA 3.4Å; I311-F375 WeakPolarHBondContact O-CD1 3.36Å; I311-T376 PolarHBondContact N-O 3.24Å; I311-T376 PolarHBondContact O-N 3.03Å |
| 312 | Y | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 165.9 | 170.7 | 51.8 | -96 | 0 | 0 | 0 | 110.7 | N324 L327 N328 A331 G349 P350 G351 F375 | Y312-N324 VanDerWaalsContact CE2-OD1 3.31Å; Y312-N324 WeakPolarHBondContact CE2-OD1 3.48Å; Y312-L327 HydrophobicContact CD1-CB 4.27Å; Y312-L327 HydrophobicContact CD2-CB 3.96Å; Y312-L327 HydrophobicContact CD2-CD1 4.16Å; Y312-L327 HydrophobicContact CE2-CB 4.33Å; Y312-L327 HydrophobicContact CG-CB 3.94Å; Y312-L327 HydrophobicContact CG-CD1 4.36Å; Y312-N328 HydrophobicContact CE1-CB 4.44Å; Y312-N328 VanDerWaalsContact OH-CB 3.28Å; Y312-N328 WeakPolarHBondContact OH-CB 3.44Å; Y312-N328 PolarHBondContact OH-OD1 3.14Å; Y312-N328 VanDerWaalsContact OH-OD1 3.12Å; Y312-A331 HydrophobicContact CD1-CB 4.09Å; Y312-A331 HydrophobicContact CE1-CB 4.02Å; Y312-G349 VanDerWaalsContact CE1-CA 3.45Å; Y312-G349 VanDerWaalsContact CZ-C 3.45Å; Y312-G349 PolarHBondContact N-O 2.93Å; Y312-G349 WeakPolarHBondContact OH-CA 3.14Å; Y312-P350 HydrophobicContact CD2-CB 4.45Å; Y312-P350 HydrophobicContact CE2-CB 4.02Å; Y312-P350 HydrophobicContact CE2-CG 4.11Å; Y312-P350 CarbonylContact O-C 3.56Å; Y312-P350 VanDerWaalsContact O-CA 3.27Å; Y312-P350 WeakPolarHBondContact O-CA 3.31Å; Y312-G351 PolarHBondContact O-N 3Å; Y312-F375 HydrophobicContact CD1-CD1 4.31Å; Y312-F375 AromaticContact CD1-CE1 3.93Å; Y312-F375 HydrophobicContact CD1-CE1 3.93Å; Y312-F375 HydrophobicContact CG-CD1 4.5Å; Y312-F375 HydrophobicContact CG-CE1 4.21Å |
| 313 | P | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -58.8 | 149.9 | -178.7 | -32.2 | 39.5 | 0 | 0 | 0 | 115.2 | D364 Y367 S374 | P313-D364 WeakPolarHBondContact CA-OD1 3.39Å; P313-D364 VanDerWaalsContact CB-OD1 3.31Å; P313-D364 WeakPolarHBondContact CB-OD1 3.41Å; P313-Y367 HydrophobicContact CB-CD1 4.17Å; P313-Y367 HydrophobicContact CB-CG 4.05Å; P313-Y367 HydrophobicContact CG-CD2 4.29Å; P313-Y367 HydrophobicContact CG-CG 3.91Å; P313-S374 WeakPolarHBondContact CD-O 3.47Å |
| 314 | Y | 98.7 | Very high | 98.2 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 8% | 0.078 | 18% | 0.181 | C | C | . | . | cis | -103.8 | 151.4 | 4.4 | -68.2 | -87.1 | 0 | 0 | 0 | 113.9 | Y316 K319 G351 A352 D364 Y367 D368 | Y314-Y316 HydrophobicContact CD1-CD1 4.11Å; Y314-Y316 AromaticContact CD1-CE1 3.48Å; Y314-Y316 HydrophobicContact CD1-CE1 3.48Å; Y314-Y316 VanDerWaalsContact CD1-CE1 3.48Å; Y314-Y316 AromaticContact CD1-CZ 3.85Å; Y314-Y316 AromaticContact CE1-CE1 3.82Å; Y314-Y316 HydrophobicContact CE1-CE1 3.82Å; Y314-Y316 AromaticContact CE1-CZ 3.99Å; Y314-K319 HydrophobicContact CD2-CD 4.1Å; Y314-K319 HydrophobicContact CD2-CG 3.55Å; Y314-K319 HydrophobicContact CE2-CD 4.14Å; Y314-K319 HydrophobicContact CE2-CG 4.04Å; Y314-K319 HydrophobicContact CG-CD 4.44Å; Y314-K319 HydrophobicContact CG-CG 3.94Å; Y314-G351 PolarHBondContact O-N 3.4Å; Y314-A352 WeakPolarHBondContact O-CB 3.34Å; Y314-A352 PolarHBondContact O-N 3Å; Y314-D364 VanDerWaalsContact CA-OD1 3.25Å; Y314-D364 WeakPolarHBondContact CA-OD1 3.21Å; Y314-D364 HydrophobicContact CD1-CB 4.37Å; Y314-Y367 AromaticContact CE1-CD1 3.91Å; Y314-Y367 HydrophobicContact CE1-CD1 3.91Å; Y314-Y367 HydrophobicContact CE2-CD1 4.11Å; Y314-Y367 AromaticContact CE2-CE1 3.91Å; Y314-Y367 HydrophobicContact CE2-CE1 3.91Å; Y314-Y367 AromaticContact CZ-CD1 3.49Å; Y314-Y367 VanDerWaalsContact CZ-CD1 3.49Å; Y314-Y367 AromaticContact CZ-CE1 3.66Å; Y314-Y367 VanDerWaalsContact OH-CD1 3.27Å; Y314-Y367 WeakPolarHBondContact OH-CD1 3.28Å; Y314-Y367 VanDerWaalsContact OH-CE1 3.3Å; Y314-Y367 WeakPolarHBondContact OH-CE1 3.29Å; Y314-D368 VanDerWaalsContact CE1-OD1 3.31Å; Y314-D368 WeakPolarHBondContact CE1-OD1 3.3Å; Y314-D368 PolarHBondContact OH-OD1 2.92Å | ||
| 315 | S | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 11% | 0.105 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -101.5 | -39.7 | 168.5 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | A317 G351 P357 A358 D364 | S315-A317 VanDerWaalsContact C-N 3.27Å; S315-A317 PolarHBondContact O-N 3.13Å; S315-G351 WeakPolarHBondContact OG-CA 3.4Å; S315-P357 CarbonylContact O-C 3.55Å; S315-P357 VanDerWaalsContact O-CA 3.23Å; S315-P357 WeakPolarHBondContact O-CA 3.39Å; S315-A358 CarbonylContact C-O 3.58Å; S315-A358 VanDerWaalsContact C-O 3.22Å; S315-A358 WeakPolarHBondContact CB-O 3.4Å; S315-A358 PolarHBondContact O-N 3.44Å; S315-D364 VanDerWaalsContact CA-OD2 3.28Å; S315-D364 WeakPolarHBondContact CA-OD2 3.46Å; S315-D364 VanDerWaalsContact CB-OD2 3.25Å; S315-D364 WeakPolarHBondContact CB-OD2 3.46Å; S315-D364 VanDerWaalsContact N-CG 3.31Å; S315-D364 PolarHBondContact N-OD1 3.22Å; S315-D364 PolarHBondContact N-OD2 2.89Å |
| 316 | Y | 97.6 | Very high | 98.2 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -75.7 | -10.3 | -175.1 | 72.1 | -107 | 0 | 0 | 0 | 114.8 | A256 I261 Y314 K319 A358 D364 D368 | A256-Y316 HydrophobicContact CB-CD1 3.94Å; A256-Y316 HydrophobicContact CB-CE1 3.96Å; I261-Y316 WeakPolarHBondContact CD1-O 3.46Å; Y314-Y316 HydrophobicContact CD1-CD1 4.11Å; Y314-Y316 AromaticContact CD1-CE1 3.48Å; Y314-Y316 HydrophobicContact CD1-CE1 3.48Å; Y314-Y316 VanDerWaalsContact CD1-CE1 3.48Å; Y314-Y316 AromaticContact CD1-CZ 3.85Å; Y314-Y316 AromaticContact CE1-CE1 3.82Å; Y314-Y316 HydrophobicContact CE1-CE1 3.82Å; Y314-Y316 AromaticContact CE1-CZ 3.99Å; Y316-K319 WeakPolarHBondContact OH-CE 3.41Å; Y316-K319 PolarHBondContact OH-NZ 2.93Å; Y316-A358 WeakPolarHBondContact CA-O 3.35Å; Y316-A358 PolarHBondContact N-O 3.38Å; Y316-D364 HydrophobicContact CD1-CB 3.61Å; Y316-D364 WeakPolarHBondContact CD1-OD2 3.17Å; Y316-D364 HydrophobicContact CE1-CB 3.85Å; Y316-D364 PolarHBondContact N-OD2 3.15Å; Y316-D368 VanDerWaalsContact CE1-OD2 3.22Å; Y316-D368 WeakPolarHBondContact CE1-OD2 3.39Å; Y316-D368 PolarHBondContact OH-OD1 2.79Å; Y316-D368 PolarHBondContact OH-OD2 3.31Å |
| 317 | A | 96.9 | Very high | 98.2 | Very high | 27 Ų | 27 | 44.3 Ų | 44.3 | 22% | 0.223 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -151.8 | 151.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S315 K319 | S315-A317 VanDerWaalsContact C-N 3.27Å; S315-A317 PolarHBondContact O-N 3.13Å; A317-K319 HydrophobicContact CB-CD 4.26Å; A317-K319 HydrophobicContact CB-CG 3.95Å; A317-K319 PolarHBondContact O-N 3.12Å |
| 318 | Y | 96.9 | Very high | 98.3 | Very high | 168 Ų | 168 | 46.6 Ų | 46.6 | 66% | 0.659 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.5 | 59.9 | 169.1 | -66.8 | -67.6 | 0 | 0 | 0 | 111.3 | A352 T353 P357 | Y318-A352 HydrophobicContact CD1-CB 3.87Å; Y318-A352 HydrophobicContact CE1-CB 3.96Å; Y318-T353 HydrophobicContact CD1-CG2 4.2Å; Y318-T353 HydrophobicContact CE1-CG2 4.26Å; Y318-P357 HydrophobicContact CE1-CG 4.01Å; Y318-P357 HydrophobicContact CE2-CG 3.86Å; Y318-P357 WeakPolarHBondContact OH-CG 3.37Å |
| 319 | K | 97 | Very high | 98.3 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 37% | 0.37 | 25% | 0.25 | S | S | . | . | trans | -129.4 | 161.7 | 172.7 | 70.1 | 177 | -179.9 | 164 | 0 | 109.2 | Y314 Y316 A317 | Y314-K319 HydrophobicContact CD2-CD 4.1Å; Y314-K319 HydrophobicContact CD2-CG 3.55Å; Y314-K319 HydrophobicContact CE2-CD 4.14Å; Y314-K319 HydrophobicContact CE2-CG 4.04Å; Y314-K319 HydrophobicContact CG-CD 4.44Å; Y314-K319 HydrophobicContact CG-CG 3.94Å; Y316-K319 WeakPolarHBondContact OH-CE 3.41Å; Y316-K319 PolarHBondContact OH-NZ 2.93Å; A317-K319 HydrophobicContact CB-CD 4.26Å; A317-K319 HydrophobicContact CB-CG 3.95Å; A317-K319 PolarHBondContact O-N 3.12Å | ||
| 320 | L | 98.1 | Very high | 98.3 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 52% | 0.524 | 25% | 0.249 | S | C | . | . | trans | -118.8 | 143.3 | 177 | -60.1 | 176.3 | 0 | 0 | 0 | 108.6 | N324 P350 | L320-N324 HydrophobicContact CB-CB 3.85Å; L320-P350 HydrophobicContact CD2-CB 3.79Å; L320-P350 HydrophobicContact CD2-CG 3.62Å | ||
| 321 | G | 97.1 | Very high | 98.3 | Very high | 9 Ų | 9 | 49 Ų | 49 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | trans | -66.4 | 158.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N323 N324 Y367 | G321-N323 PolarHBondContact O-N 2.85Å; G321-N324 VanDerWaalsContact O-CB 3.24Å; G321-N324 WeakPolarHBondContact O-CB 3.48Å; G321-N324 PolarHBondContact O-N 2.81Å; G321-Y367 VanDerWaalsContact CA-OH 3.24Å; G321-Y367 WeakPolarHBondContact CA-OH 3.4Å | ||
| 322 | E | 97.9 | Very high | 98.3 | Very high | 211 Ų | 211 | 54.6 Ų | 54.6 | 99% | 0.986 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35.8 | -179 | -65.5 | -175.2 | 172.9 | 0 | 0 | 112.1 | Y367 | E322-Y367 PolarHBondContact N-OH 3.04Š|
| 323 | N | 98.3 | Very high | 98.3 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 20 | 178.2 | 77.1 | -27.6 | 0 | 0 | 0 | 114.2 | G321 V325 E326 L327 Y367 R372 | G321-N323 PolarHBondContact O-N 2.85Å; N323-V325 PolarHBondContact O-N 3.23Å; N323-V325 VanDerWaalsContact O-N 3.12Å; N323-E326 HydrophobicContact CB-CB 4.17Å; N323-E326 WeakPolarHBondContact CB-OE2 3.41Å; N323-E326 PolarHBondContact ND2-OE2 3.02Å; N323-E326 VanDerWaalsContact ND2-OE2 3.14Å; N323-E326 WeakPolarHBondContact O-CA 3.05Å; N323-E326 WeakPolarHBondContact O-CB 3.34Å; N323-E326 PolarHBondContact O-N 2.77Å; N323-L327 PolarHBondContact O-N 3.38Å; N323-Y367 VanDerWaalsContact OD1-CE2 3.28Å; N323-Y367 WeakPolarHBondContact OD1-CE2 3.43Å; N323-Y367 PolarHBondContact OD1-OH 3.5Å; N323-R372 PolarHBondContact ND2-O 3.21Å |
| 324 | N | 98.6 | Very high | 98.3 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.4 | -38.5 | -179.1 | 162.1 | 81.4 | 0 | 0 | 0 | 114.1 | Y312 L320 G321 E326 L327 N328 | Y312-N324 VanDerWaalsContact CE2-OD1 3.31Å; Y312-N324 WeakPolarHBondContact CE2-OD1 3.48Å; L320-N324 HydrophobicContact CB-CB 3.85Å; G321-N324 VanDerWaalsContact O-CB 3.24Å; G321-N324 WeakPolarHBondContact O-CB 3.48Å; G321-N324 PolarHBondContact O-N 2.81Å; N324-E326 VanDerWaalsContact C-N 3.28Å; N324-E326 PolarHBondContact O-N 3.35Å; N324-L327 PolarHBondContact O-N 3.21Å; N324-N328 VanDerWaalsContact O-CB 3.31Å; N324-N328 WeakPolarHBondContact O-CB 3.4Å; N324-N328 PolarHBondContact O-N 3.36Å |
| 325 | V | 98.7 | Very high | 98.3 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 66% | 0.655 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -37.7 | 178.3 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | N323 T329 | N323-V325 PolarHBondContact O-N 3.23Å; N323-V325 VanDerWaalsContact O-N 3.12Å; V325-T329 WeakPolarHBondContact O-CB 3.46Å; V325-T329 PolarHBondContact O-N 2.72Å; V325-T329 VanDerWaalsContact O-N 3.12Å; V325-T329 PolarHBondContact O-OG1 3.48Å |
| 326 | E | 98.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 62.4 Ų | 62.4 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.1 | -51.9 | 174.7 | -168 | -170.4 | -168.6 | 0 | 0 | 110.1 | N323 N324 N328 T329 L330 Y373 Y411 | N323-E326 HydrophobicContact CB-CB 4.17Å; N323-E326 WeakPolarHBondContact CB-OE2 3.41Å; N323-E326 PolarHBondContact ND2-OE2 3.02Å; N323-E326 VanDerWaalsContact ND2-OE2 3.14Å; N323-E326 WeakPolarHBondContact O-CA 3.05Å; N323-E326 WeakPolarHBondContact O-CB 3.34Å; N323-E326 PolarHBondContact O-N 2.77Å; N324-E326 VanDerWaalsContact C-N 3.28Å; N324-E326 PolarHBondContact O-N 3.35Å; E326-N328 VanDerWaalsContact C-N 3.35Å; E326-N328 PolarHBondContact O-N 3.08Å; E326-T329 PolarHBondContact O-N 3.44Å; E326-T329 VanDerWaalsContact O-N 3.14Å; E326-L330 WeakPolarHBondContact O-CB 3.27Å; E326-L330 PolarHBondContact O-N 3.25Å; E326-Y373 HydrophobicContact CG-CE1 4.47Å; E326-Y373 WeakPolarHBondContact OE1-CE1 3.42Å; E326-Y373 PolarHBondContact OE1-OH 3.48Å; E326-Y411 HydrophobicContact CG-CE1 4.15Å; E326-Y411 WeakPolarHBondContact CG-OH 3.35Å; E326-Y411 WeakPolarHBondContact OE1-CE1 3.31Å; E326-Y411 PolarHBondContact OE1-OH 3.22Å; E326-Y411 VanDerWaalsContact OE1-OH 3.12Å |
| 327 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.4 | -62.6 | -179.3 | 0 | 0 | 0 | 112.4 | Y312 N323 N324 T329 L330 A331 Y367 R372 Y373 F375 | Y312-L327 HydrophobicContact CD1-CB 4.27Å; Y312-L327 HydrophobicContact CD2-CB 3.96Å; Y312-L327 HydrophobicContact CD2-CD1 4.16Å; Y312-L327 HydrophobicContact CE2-CB 4.33Å; Y312-L327 HydrophobicContact CG-CB 3.94Å; Y312-L327 HydrophobicContact CG-CD1 4.36Å; N323-L327 PolarHBondContact O-N 3.38Å; N324-L327 PolarHBondContact O-N 3.21Å; L327-T329 PolarHBondContact O-N 3.4Å; L327-L330 PolarHBondContact O-N 2.88Å; L327-A331 WeakPolarHBondContact O-CB 3.22Å; L327-A331 PolarHBondContact O-N 2.99Å; L327-Y367 HydrophobicContact CD1-CE2 4.03Å; L327-R372 WeakPolarHBondContact CD2-O 3.26Å; L327-Y373 HydrophobicContact CD2-CD1 3.94Å; L327-F375 HydrophobicContact CB-CE1 4.4Å; L327-F375 HydrophobicContact CB-CZ 4.32Å; L327-F375 HydrophobicContact CD2-CE1 4.31Å; L327-F375 HydrophobicContact CD2-CE2 4.06Å; L327-F375 HydrophobicContact CD2-CZ 3.58Å |
| 328 | N | 98.9 | Very high | 98.5 | Very high | 58 Ų | 58 | 63.1 Ų | 63.1 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.3 | -177.6 | 76.1 | 0 | 0 | 0 | 112 | Y312 N324 E326 K332 | Y312-N328 HydrophobicContact CE1-CB 4.44Å; Y312-N328 VanDerWaalsContact OH-CB 3.28Å; Y312-N328 WeakPolarHBondContact OH-CB 3.44Å; Y312-N328 PolarHBondContact OH-OD1 3.14Å; Y312-N328 VanDerWaalsContact OH-OD1 3.12Å; N324-N328 VanDerWaalsContact O-CB 3.31Å; N324-N328 WeakPolarHBondContact O-CB 3.4Å; N324-N328 PolarHBondContact O-N 3.36Å; E326-N328 VanDerWaalsContact C-N 3.35Å; E326-N328 PolarHBondContact O-N 3.08Å; N328-K332 VanDerWaalsContact O-CB 3.28Å; N328-K332 WeakPolarHBondContact O-CB 3.46Å; N328-K332 PolarHBondContact O-N 2.73Å |
| 329 | T | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 179.5 | -58.5 | 0 | 0 | 0 | 0 | 111 | V325 E326 L327 K332 A333 | V325-T329 WeakPolarHBondContact O-CB 3.46Å; V325-T329 PolarHBondContact O-N 2.72Å; V325-T329 VanDerWaalsContact O-N 3.12Å; V325-T329 PolarHBondContact O-OG1 3.48Å; E326-T329 PolarHBondContact O-N 3.44Å; E326-T329 VanDerWaalsContact O-N 3.14Å; L327-T329 PolarHBondContact O-N 3.4Å; T329-K332 PolarHBondContact O-N 2.55Å; T329-A333 PolarHBondContact O-N 2.76Å; T329-A333 VanDerWaalsContact O-N 3.11Å |
| 330 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 175.6 | 178.3 | 54.7 | 0 | 0 | 0 | 111.3 | E326 L327 K332 A333 A334 Y373 F375 Y407 I408 Y411 | E326-L330 WeakPolarHBondContact O-CB 3.27Å; E326-L330 PolarHBondContact O-N 3.25Å; L327-L330 PolarHBondContact O-N 2.88Å; L330-K332 VanDerWaalsContact C-N 3.35Å; L330-K332 PolarHBondContact O-N 3.09Å; L330-A333 PolarHBondContact O-N 2.83Å; L330-A333 VanDerWaalsContact O-N 3.17Å; L330-A334 WeakPolarHBondContact O-CB 3.49Å; L330-A334 PolarHBondContact O-N 3.4Å; L330-Y373 HydrophobicContact CD2-CD1 4.15Å; L330-F375 HydrophobicContact CD2-CE2 3.89Å; L330-F375 HydrophobicContact CD2-CZ 3.85Å; L330-F375 HydrophobicContact CG-CZ 4.2Å; L330-Y407 HydrophobicContact CD1-CD1 3.94Å; L330-Y407 HydrophobicContact CD1-CE1 3.88Å; L330-I408 HydrophobicContact CD1-CG1 4.34Å; L330-I408 HydrophobicContact CD2-CG2 4.46Å; L330-I408 HydrophobicContact CG-CG1 4.38Å; L330-Y411 HydrophobicContact CD1-CD1 4.02Å; L330-Y411 HydrophobicContact CD1-CD2 3.94Å; L330-Y411 HydrophobicContact CD1-CG 3.58Å; L330-Y411 HydrophobicContact CD2-CD1 3.56Å; L330-Y411 HydrophobicContact CD2-CE1 4.03Å; L330-Y411 HydrophobicContact CD2-CG 4.02Å; L330-Y411 HydrophobicContact CG-CD1 4.32Å; L330-Y411 HydrophobicContact CG-CG 4.37Å |
| 331 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L310 Y312 L327 A333 A334 V335 Y348 F375 | L310-A331 HydrophobicContact CD2-CB 3.76Å; L310-A331 HydrophobicContact CG-CB 4.16Å; Y312-A331 HydrophobicContact CD1-CB 4.09Å; Y312-A331 HydrophobicContact CE1-CB 4.02Å; L327-A331 WeakPolarHBondContact O-CB 3.22Å; L327-A331 PolarHBondContact O-N 2.99Å; A331-A333 VanDerWaalsContact C-N 3.29Å; A331-A333 PolarHBondContact O-N 3.1Å; A331-A334 PolarHBondContact O-N 3.32Å; A331-V335 WeakPolarHBondContact O-CG1 3.32Å; A331-V335 WeakPolarHBondContact O-CG2 3.32Å; A331-V335 PolarHBondContact O-N 2.71Å; A331-Y348 HydrophobicContact CB-CD2 4.02Å; A331-Y348 HydrophobicContact CB-CG 4.21Å; A331-F375 HydrophobicContact CB-CE1 4.14Å |
| 332 | K | 98.9 | Very high | 98.7 | Very high | 121 Ų | 121 | 58.9 Ų | 58.9 | 53% | 0.526 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56 | -43 | 175.2 | -179.7 | 172.7 | -174.8 | 175.5 | 0 | 112.5 | N328 T329 L330 V335 K336 Y348 | N328-K332 VanDerWaalsContact O-CB 3.28Å; N328-K332 WeakPolarHBondContact O-CB 3.46Å; N328-K332 PolarHBondContact O-N 2.73Å; T329-K332 PolarHBondContact O-N 2.55Å; L330-K332 VanDerWaalsContact C-N 3.35Å; L330-K332 PolarHBondContact O-N 3.09Å; K332-V335 VanDerWaalsContact O-CG2 3.32Å; K332-V335 WeakPolarHBondContact O-CG2 3.48Å; K332-K336 WeakPolarHBondContact O-CB 3.32Å; K332-K336 PolarHBondContact O-N 3.21Å; K332-Y348 HydrophobicContact CB-CD2 4.46Å; K332-Y348 HydrophobicContact CB-CE1 4.2Å; K332-Y348 HydrophobicContact CB-CE2 3.68Å; K332-Y348 VanDerWaalsContact CD-OH 3.32Å; K332-Y348 WeakPolarHBondContact CD-OH 3.34Å; K332-Y348 HydrophobicContact CG-CE1 4.31Å; K332-Y348 HydrophobicContact CG-CE2 4.35Å; K332-Y348 VanDerWaalsContact CG-OH 3.25Å; K332-Y348 WeakPolarHBondContact CG-OH 3.45Å |
| 333 | A | 98.9 | Very high | 98.8 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 21% | 0.207 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.9 | -42.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | T329 L330 A331 V335 K336 E337 Y407 | T329-A333 PolarHBondContact O-N 2.76Å; T329-A333 VanDerWaalsContact O-N 3.11Å; L330-A333 PolarHBondContact O-N 2.83Å; L330-A333 VanDerWaalsContact O-N 3.17Å; A331-A333 VanDerWaalsContact C-N 3.29Å; A331-A333 PolarHBondContact O-N 3.1Å; A333-V335 PolarHBondContact O-N 2.71Å; A333-K336 WeakPolarHBondContact O-CB 3.25Å; A333-K336 PolarHBondContact O-N 3.39Å; A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.04Å; A333-Y407 HydrophobicContact CB-CD1 4.38Å; A333-Y407 HydrophobicContact CB-CE1 3.47Å; A333-Y407 VanDerWaalsContact CB-CE1 3.47Å; A333-Y407 WeakPolarHBondContact CB-OH 3.42Å |
| 334 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L310 L330 A331 K336 E337 L338 A404 Y407 I408 | L310-A334 HydrophobicContact CD2-CB 3.84Å; L330-A334 WeakPolarHBondContact O-CB 3.49Å; L330-A334 PolarHBondContact O-N 3.4Å; A331-A334 PolarHBondContact O-N 3.32Å; A334-K336 VanDerWaalsContact C-N 3.31Å; A334-K336 PolarHBondContact O-N 2.85Å; A334-E337 PolarHBondContact O-N 3.26Å; A334-L338 WeakPolarHBondContact O-CB 3.17Å; A334-L338 PolarHBondContact O-N 2.9Å; A334-A404 HydrophobicContact CB-CB 4.29Å; A334-Y407 HydrophobicContact CB-CD1 4.35Å; A334-I408 HydrophobicContact CB-CD1 4.13Å; A334-I408 HydrophobicContact CB-CG1 3.95Å |
| 335 | V | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -29.9 | 176 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | L310 A331 K332 A333 A339 Y348 | L310-V335 HydrophobicContact CB-CG1 3.77Å; L310-V335 HydrophobicContact CD2-CG1 3.89Å; L310-V335 HydrophobicContact CG-CG1 4.49Å; A331-V335 WeakPolarHBondContact O-CG1 3.32Å; A331-V335 WeakPolarHBondContact O-CG2 3.32Å; A331-V335 PolarHBondContact O-N 2.71Å; K332-V335 VanDerWaalsContact O-CG2 3.32Å; K332-V335 WeakPolarHBondContact O-CG2 3.48Å; A333-V335 PolarHBondContact O-N 2.71Å; V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.44Å; V335-A339 PolarHBondContact O-N 3.37Å; V335-Y348 HydrophobicContact CB-CD1 4.49Å; V335-Y348 HydrophobicContact CG1-CD1 4.21Å; V335-Y348 HydrophobicContact CG2-CD1 3.54Å; V335-Y348 HydrophobicContact CG2-CE1 3.78Å; V335-Y348 HydrophobicContact CG2-CG 4.48Å |
| 336 | K | 98.9 | Very high | 98.8 | Very high | 163 Ų | 163 | 53.4 Ų | 53.4 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.1 | -42.7 | 173.6 | -179.8 | -174.9 | 174.1 | -171.2 | 0 | 110.5 | K332 A333 A334 A339 S340 | K332-K336 WeakPolarHBondContact O-CB 3.32Å; K332-K336 PolarHBondContact O-N 3.21Å; A333-K336 WeakPolarHBondContact O-CB 3.25Å; A333-K336 PolarHBondContact O-N 3.39Å; A334-K336 VanDerWaalsContact C-N 3.31Å; A334-K336 PolarHBondContact O-N 2.85Å; K336-A339 PolarHBondContact O-N 2.99Å; K336-S340 PolarHBondContact O-N 2.6Å; K336-S340 VanDerWaalsContact O-N 3.15Å |
| 337 | E | 98.8 | Very high | 98.8 | Very high | 74 Ų | 74 | 55 Ų | 55 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.7 | -173.9 | 60.4 | -160 | 0 | 0 | 111 | A333 A334 A339 S340 L403 Y407 | A333-E337 WeakPolarHBondContact O-CB 3.26Å; A333-E337 PolarHBondContact O-N 3.04Å; A334-E337 PolarHBondContact O-N 3.26Å; E337-A339 PolarHBondContact O-N 3.46Å; E337-S340 VanDerWaalsContact O-CB 3.27Å; E337-S340 WeakPolarHBondContact O-CB 3.26Å; E337-S340 PolarHBondContact O-N 3.15Å; E337-S340 PolarHBondContact O-OG 3.15Å; E337-L403 HydrophobicContact CG-CB 4.05Å; E337-Y407 HydrophobicContact CB-CD2 4.16Å; E337-Y407 HydrophobicContact CB-CG 4.43Å; E337-Y407 HydrophobicContact CG-CD2 4.06Å; E337-Y407 HydrophobicContact CG-CG 4.47Å |
| 338 | L | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.2 | -50.9 | 171.7 | -172.6 | 156.9 | 0 | 0 | 0 | 111.7 | A334 S340 L341 T344 Y346 E400 A404 | A334-L338 WeakPolarHBondContact O-CB 3.17Å; A334-L338 PolarHBondContact O-N 2.9Å; L338-S340 PolarHBondContact O-N 3.02Å; L338-S340 VanDerWaalsContact O-N 3.15Å; L338-L341 PolarHBondContact O-N 3.16Å; L338-T344 HydrophobicContact CD2-CG2 4.46Å; L338-Y346 HydrophobicContact CD1-CD1 4.22Å; L338-Y346 HydrophobicContact CD1-CD2 3.9Å; L338-Y346 HydrophobicContact CD1-CE1 4.03Å; L338-Y346 HydrophobicContact CD1-CE2 3.68Å; L338-Y346 HydrophobicContact CD1-CG 4.18Å; L338-Y346 HydrophobicContact CD2-CD2 3.53Å; L338-Y346 HydrophobicContact CD2-CE2 3.47Å; L338-Y346 VanDerWaalsContact CD2-CE2 3.47Å; L338-Y346 HydrophobicContact CD2-CG 4.45Å; L338-Y346 HydrophobicContact CG-CD2 4.36Å; L338-Y346 HydrophobicContact CG-CE2 4.25Å; L338-E400 HydrophobicContact CD1-CG 4.49Å; L338-E400 HydrophobicContact CD2-CB 3.96Å; L338-E400 HydrophobicContact CD2-CG 3.79Å; L338-E400 HydrophobicContact CG-CB 3.89Å; L338-E400 HydrophobicContact CG-CG 3.91Å; L338-E400 WeakPolarHBondContact CG-O 3.43Å; L338-A404 HydrophobicContact CB-CB 4.19Å; L338-A404 HydrophobicContact CD1-CB 4.17Å |
| 339 | A | 98.8 | Very high | 98.8 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 25% | 0.248 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -19.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V335 K336 E337 L341 G343 T344 | V335-A339 VanDerWaalsContact O-CB 3.32Å; V335-A339 WeakPolarHBondContact O-CB 3.44Å; V335-A339 PolarHBondContact O-N 3.37Å; K336-A339 PolarHBondContact O-N 2.99Å; E337-A339 PolarHBondContact O-N 3.46Å; A339-L341 PolarHBondContact O-N 3.11Å; A339-G343 WeakPolarHBondContact O-CA 2.94Å; A339-G343 PolarHBondContact O-N 3.03Å; A339-T344 WeakPolarHBondContact CA-O 3.47Å; A339-T344 VanDerWaalsContact CB-O 3.26Å; A339-T344 WeakPolarHBondContact CB-O 3.21Å |
| 340 | S | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 57% | 0.566 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.5 | -26.4 | -176.8 | 76.9 | 0 | 0 | 0 | 0 | 113.7 | K336 E337 L338 | K336-S340 PolarHBondContact O-N 2.6Å; K336-S340 VanDerWaalsContact O-N 3.15Å; E337-S340 VanDerWaalsContact O-CB 3.27Å; E337-S340 WeakPolarHBondContact O-CB 3.26Å; E337-S340 PolarHBondContact O-N 3.15Å; E337-S340 PolarHBondContact O-OG 3.15Å; L338-S340 PolarHBondContact O-N 3.02Å; L338-S340 VanDerWaalsContact O-N 3.15Å |
| 341 | L | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -86.3 | -54.3 | -174.4 | -172.2 | 63.6 | 0 | 0 | 0 | 112.8 | L338 A339 E399 L403 | L338-L341 PolarHBondContact O-N 3.16Å; A339-L341 PolarHBondContact O-N 3.11Å; L341-E399 HydrophobicContact CD2-CB 3.55Å; L341-L403 HydrophobicContact CB-CD1 3.7Å; L341-L403 HydrophobicContact CD2-CD1 4.14Å; L341-L403 HydrophobicContact CG-CD1 4.39Å |
| 342 | H | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 52.4 Ų | 52.4 | 38% | 0.375 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -120.2 | 2.9 | -173 | -62 | -53.8 | 0 | 0 | 0 | 113.6 | T344 A396 E399 E400 | H342-T344 PolarHBondContact O-N 3.04Å; H342-A396 PolarHBondContact CD2-O 3.39Å; H342-A396 VanDerWaalsContact CD2-O 3.25Å; H342-E399 IonicContact CE1-OE2 3.61Å; H342-E399 IonicContact NE2-OE2 3.86Å; H342-E399 PolarHBondContact NE2-OE2 3.29Å; H342-E400 IonicContact CD2-OE2 3.39Å |
| 343 | G | 98.6 | Very high | 98.5 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 51% | 0.505 | 28% | 0.279 | S | S | . | . | trans | 73.8 | 9.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | A339 K345 | A339-G343 WeakPolarHBondContact O-CA 2.94Å; A339-G343 PolarHBondContact O-N 3.03Å; G343-K345 PolarHBondContact O-N 2.81Å | ||
| 344 | T | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | trans | -66.1 | 125.3 | -179.6 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | Q308 L338 A339 H342 Y346 R380 E400 | Q308-T344 HydrophobicContact CG-CG2 4.17Å; L338-T344 HydrophobicContact CD2-CG2 4.46Å; A339-T344 WeakPolarHBondContact CA-O 3.47Å; A339-T344 VanDerWaalsContact CB-O 3.26Å; A339-T344 WeakPolarHBondContact CB-O 3.21Å; H342-T344 PolarHBondContact O-N 3.04Å; T344-Y346 HydrophobicContact CG2-CD2 4.02Å; T344-Y346 HydrophobicContact CG2-CE2 3.63Å; T344-R380 HydrophobicContact CG2-CG 4.33Å; T344-R380 PolarHBondContact OG1-NH2 2.85Å; T344-E400 WeakPolarHBondContact CB-OE2 3.44Å; T344-E400 WeakPolarHBondContact CG2-OE1 3.4Å; T344-E400 VanDerWaalsContact OG1-CD 3.3Å; T344-E400 PolarHBondContact OG1-OE1 3.31Å; T344-E400 PolarHBondContact OG1-OE2 2.93Å | ||
| 345 | K | 98.7 | Very high | 98 | Very high | 174 Ų | 174 | 53.5 Ų | 53.5 | 76% | 0.757 | 29% | 0.291 | S | S | * | . | trans | -95.5 | 120.7 | -175.6 | -60.6 | 179.3 | -176.1 | 176.5 | 0 | 110 | Q308 G343 | Q308-K345 WeakPolarHBondContact CB-O 3.35Å; Q308-K345 PolarHBondContact NE2-O 3.34Å; G343-K345 PolarHBondContact O-N 2.81Å | ||
| 346 | Y | 98.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 7% | 0.071 | 29% | 0.294 | C | S | . | . | trans | -105.1 | 139.8 | 171.4 | -81.7 | -124.8 | 0 | 0 | 0 | 110.1 | Q308 M309 L338 T344 E378 L379 | Q308-Y346 HydrophobicContact CB-CD1 4.18Å; Q308-Y346 HydrophobicContact CB-CD2 3.7Å; Q308-Y346 HydrophobicContact CB-CE1 4.19Å; Q308-Y346 HydrophobicContact CB-CE2 3.72Å; Q308-Y346 HydrophobicContact CB-CG 3.93Å; Q308-Y346 HydrophobicContact CG-CD2 4.25Å; Q308-Y346 HydrophobicContact CG-CE2 3.81Å; Q308-Y346 CarbonylContact O-C 3.48Å; Q308-Y346 WeakPolarHBondContact O-CA 3.49Å; M309-Y346 VanDerWaalsContact N-CD1 3.32Å; L338-Y346 HydrophobicContact CD1-CD1 4.22Å; L338-Y346 HydrophobicContact CD1-CD2 3.9Å; L338-Y346 HydrophobicContact CD1-CE1 4.03Å; L338-Y346 HydrophobicContact CD1-CE2 3.68Å; L338-Y346 HydrophobicContact CD1-CG 4.18Å; L338-Y346 HydrophobicContact CD2-CD2 3.53Å; L338-Y346 HydrophobicContact CD2-CE2 3.47Å; L338-Y346 VanDerWaalsContact CD2-CE2 3.47Å; L338-Y346 HydrophobicContact CD2-CG 4.45Å; L338-Y346 HydrophobicContact CG-CD2 4.36Å; L338-Y346 HydrophobicContact CG-CE2 4.25Å; T344-Y346 HydrophobicContact CG2-CD2 4.02Å; T344-Y346 HydrophobicContact CG2-CE2 3.63Å; Y346-E378 WeakPolarHBondContact CE1-O 3.21Å; Y346-L379 WeakPolarHBondContact OH-CA 3.49Å | ||
| 347 | T | 98.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 47.9 Ų | 47.9 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 162.9 | 161.8 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | Q308 M309 L310 | Q308-T347 PolarHBondContact O-N 3.09Å; M309-T347 CarbonylContact C-O 3.59Å; M309-T347 VanDerWaalsContact CA-O 3.31Å; M309-T347 WeakPolarHBondContact CA-O 3.27Å; M309-T347 WeakPolarHBondContact CG-OG1 3.48Å; L310-T347 PolarHBondContact N-O 2.64Å |
| 348 | Y | 98.8 | Very high | 97.3 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 28% | 0.275 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.8 | 178.5 | 59.5 | -84.3 | 0 | 0 | 0 | 111.1 | L310 A331 K332 V335 | L310-Y348 WeakPolarHBondContact O-CA 3.17Å; L310-Y348 WeakPolarHBondContact O-CB 3.23Å; A331-Y348 HydrophobicContact CB-CD2 4.02Å; A331-Y348 HydrophobicContact CB-CG 4.21Å; K332-Y348 HydrophobicContact CB-CD2 4.46Å; K332-Y348 HydrophobicContact CB-CE1 4.2Å; K332-Y348 HydrophobicContact CB-CE2 3.68Å; K332-Y348 VanDerWaalsContact CD-OH 3.32Å; K332-Y348 WeakPolarHBondContact CD-OH 3.34Å; K332-Y348 HydrophobicContact CG-CE1 4.31Å; K332-Y348 HydrophobicContact CG-CE2 4.35Å; K332-Y348 VanDerWaalsContact CG-OH 3.25Å; K332-Y348 WeakPolarHBondContact CG-OH 3.45Å; V335-Y348 HydrophobicContact CB-CD1 4.49Å; V335-Y348 HydrophobicContact CG1-CD1 4.21Å; V335-Y348 HydrophobicContact CG2-CD1 3.54Å; V335-Y348 HydrophobicContact CG2-CE1 3.78Å; V335-Y348 HydrophobicContact CG2-CG 4.48Å |
| 349 | G | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -173 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L310 I311 Y312 T354 | L310-G349 PolarHBondContact O-N 3.28Å; I311-G349 WeakPolarHBondContact CA-O 3.34Å; Y312-G349 VanDerWaalsContact CE1-CA 3.45Å; Y312-G349 VanDerWaalsContact CZ-C 3.45Å; Y312-G349 PolarHBondContact N-O 2.93Å; Y312-G349 WeakPolarHBondContact OH-CA 3.14Å; G349-T354 VanDerWaalsContact C-OG1 3.3Å; G349-T354 VanDerWaalsContact CA-OG1 3.22Å; G349-T354 WeakPolarHBondContact CA-OG1 3.45Å |
| 350 | P | 98.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 139.1 | 177.5 | 11.3 | -2.4 | 0 | 0 | 0 | 111.2 | Y312 L320 A352 T353 T354 | Y312-P350 HydrophobicContact CD2-CB 4.45Å; Y312-P350 HydrophobicContact CE2-CB 4.02Å; Y312-P350 HydrophobicContact CE2-CG 4.11Å; Y312-P350 CarbonylContact O-C 3.56Å; Y312-P350 VanDerWaalsContact O-CA 3.27Å; Y312-P350 WeakPolarHBondContact O-CA 3.31Å; L320-P350 HydrophobicContact CD2-CB 3.79Å; L320-P350 HydrophobicContact CD2-CG 3.62Å; P350-A352 PolarHBondContact O-N 3.33Å; P350-T353 WeakPolarHBondContact CG-OG1 3.4Å; P350-T353 PolarHBondContact O-N 2.65Å; P350-T353 PolarHBondContact O-OG1 3.07Å; P350-T353 VanDerWaalsContact O-OG1 3.12Å; P350-T354 WeakPolarHBondContact O-CB 3.49Å; P350-T354 PolarHBondContact O-N 3.38Å; P350-T354 PolarHBondContact O-OG1 3.21Å |
| 351 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.8 | -45.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y312 Y314 S315 T353 T354 I355 Y356 | Y312-G351 PolarHBondContact O-N 3Å; Y314-G351 PolarHBondContact O-N 3.4Å; S315-G351 WeakPolarHBondContact OG-CA 3.4Å; G351-T353 VanDerWaalsContact C-N 3.26Å; G351-T353 PolarHBondContact O-N 2.88Å; G351-T354 PolarHBondContact O-N 3.33Å; G351-I355 PolarHBondContact O-N 3.22Å; G351-Y356 PolarHBondContact O-N 3.48Å |
| 352 | A | 96.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -36.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K62 Y314 Y318 P350 P357 | K62-A352 PolarHBondContact NZ-O 3.16Å; Y314-A352 WeakPolarHBondContact O-CB 3.34Å; Y314-A352 PolarHBondContact O-N 3Å; Y318-A352 HydrophobicContact CD1-CB 3.87Å; Y318-A352 HydrophobicContact CE1-CB 3.96Å; P350-A352 PolarHBondContact O-N 3.33Å; A352-P357 HydrophobicContact CB-CG 4.41Å |
| 353 | T | 95.6 | Very high | 97.3 | Very high | 87 Ų | 87 | 31.9 Ų | 31.9 | 53% | 0.534 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -93.3 | -35.5 | -177.6 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | Y318 P350 G351 | Y318-T353 HydrophobicContact CD1-CG2 4.2Å; Y318-T353 HydrophobicContact CE1-CG2 4.26Å; P350-T353 WeakPolarHBondContact CG-OG1 3.4Å; P350-T353 PolarHBondContact O-N 2.65Å; P350-T353 PolarHBondContact O-OG1 3.07Å; P350-T353 VanDerWaalsContact O-OG1 3.12Å; G351-T353 VanDerWaalsContact C-N 3.26Å; G351-T353 PolarHBondContact O-N 2.88Å |
| 354 | T | 95.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 27% | 0.27 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -81 | -34.4 | -176.7 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | M309 I311 G349 P350 G351 | M309-T354 HydrophobicContact SD-CG2 4.48Å; I311-T354 HydrophobicContact CD1-CG2 3.48Å; I311-T354 VanDerWaalsContact CD1-CG2 3.48Å; G349-T354 VanDerWaalsContact C-OG1 3.3Å; G349-T354 VanDerWaalsContact CA-OG1 3.22Å; G349-T354 WeakPolarHBondContact CA-OG1 3.45Å; P350-T354 WeakPolarHBondContact O-CB 3.49Å; P350-T354 PolarHBondContact O-N 3.38Å; P350-T354 PolarHBondContact O-OG1 3.21Å; G351-T354 PolarHBondContact O-N 3.33Å |
| 355 | I | 91.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 19% | 0.19 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -92.6 | 178.2 | -61.3 | -174.1 | 0 | 0 | 0 | 107.7 | K62 M309 I311 G351 | K62-I355 PolarHBondContact NZ-O 3.36Å; M309-I355 HydrophobicContact CE-CD1 3.4Å; M309-I355 HydrophobicContact CE-CG1 3.59Å; M309-I355 HydrophobicContact SD-CD1 4.05Å; M309-I355 HydrophobicContact SD-CG1 3.75Å; I311-I355 HydrophobicContact CD1-CD1 3.72Å; I311-I355 HydrophobicContact CD1-CG1 3.78Å; I311-I355 HydrophobicContact CG1-CD1 3.55Å; I311-I355 HydrophobicContact CG1-CG1 4.19Å; G351-I355 PolarHBondContact O-N 3.22Å |
| 356 | Y | 92.1 | Very high | 97.3 | Very high | 38 Ų | 38 | 20.8 Ų | 20.8 | 15% | 0.149 | 12% | 0.115 | C | C | . | . | trans | -166.2 | 155.1 | 179.5 | 41.5 | -105.7 | 0 | 0 | 0 | 109.2 | P55 D56 Q60 G351 A358 | P55-Y356 HydrophobicContact CB-CD1 3.56Å; P55-Y356 HydrophobicContact CB-CE1 3.15Å; D56-Y356 PolarHBondContact OD1-OH 3.2Å; Q60-Y356 HydrophobicContact CB-CD1 4.05Å; Q60-Y356 HydrophobicContact CB-CD2 3.94Å; Q60-Y356 HydrophobicContact CB-CE1 4.42Å; Q60-Y356 HydrophobicContact CB-CE2 4.26Å; Q60-Y356 HydrophobicContact CB-CG 3.82Å; Q60-Y356 HydrophobicContact CG-CD2 4.01Å; Q60-Y356 HydrophobicContact CG-CE2 4.13Å; Q60-Y356 HydrophobicContact CG-CG 4.4Å; G351-Y356 PolarHBondContact O-N 3.48Å; Y356-A358 HydrophobicContact CD2-CB 4.18Å; Y356-A358 HydrophobicContact CE2-CB 4.27Å; Y356-A358 PolarHBondContact O-N 3Å | ||
| 357 | P | 94.8 | Very high | 97.3 | Very high | 22 Ų | 22 | 21.2 Ų | 21.2 | 14% | 0.143 | 12% | 0.116 | C | C | . | . | trans | -64.4 | 123.8 | 176.6 | -20.6 | 33 | 0 | 0 | 0 | 111.2 | Q60 I261 S315 Y318 A352 | Q60-P357 PolarHBondContact NE2-O 2.97Å; I261-P357 HydrophobicContact CD1-CB 3.5Å; I261-P357 VanDerWaalsContact CD1-CB 3.5Å; S315-P357 CarbonylContact O-C 3.55Å; S315-P357 VanDerWaalsContact O-CA 3.23Å; S315-P357 WeakPolarHBondContact O-CA 3.39Å; Y318-P357 HydrophobicContact CE1-CG 4.01Å; Y318-P357 HydrophobicContact CE2-CG 3.86Å; Y318-P357 WeakPolarHBondContact OH-CG 3.37Å; A352-P357 HydrophobicContact CB-CG 4.41Å | ||
| 358 | A | 95.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 5% | 0.05 | 11% | 0.11 | C | C | . | . | trans | -148.3 | 130.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110 | S315 Y316 Y356 | S315-A358 CarbonylContact C-O 3.58Å; S315-A358 VanDerWaalsContact C-O 3.22Å; S315-A358 WeakPolarHBondContact CB-O 3.4Å; S315-A358 PolarHBondContact O-N 3.44Å; Y316-A358 WeakPolarHBondContact CA-O 3.35Å; Y316-A358 PolarHBondContact N-O 3.38Å; Y356-A358 HydrophobicContact CD2-CB 4.18Å; Y356-A358 HydrophobicContact CE2-CB 4.27Å; Y356-A358 PolarHBondContact O-N 3Å | ||
| 359 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -101.5 | 161.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R252 G257 I261 G361 | R252-A359 WeakPolarHBondContact CD-O 3.44Å; G257-A359 WeakPolarHBondContact O-CB 3.3Å; I261-A359 HydrophobicContact CG1-CB 4.08Å; I261-A359 VanDerWaalsContact O-CB 3.3Å; I261-A359 WeakPolarHBondContact O-CB 3.27Å; I261-A359 PolarHBondContact O-N 2.96Å; A359-G361 VanDerWaalsContact C-N 3.34Å |
| 360 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 73.7 | 21.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N251 R252 N253 F254 A256 | N251-G360 CarbonylContact C-O 3.33Å; N251-G360 CarbonylContact O-C 3.57Å; R252-G360 CarbonylContact C-O 3.57Å; R252-G360 WeakPolarHBondContact CA-O 3.26Å; N253-G360 PolarHBondContact N-O 2.86Å; F254-G360 WeakPolarHBondContact CB-O 3.25Å; F254-G360 PolarHBondContact N-O 3.16Å; F254-G360 VanDerWaalsContact O-CA 3.23Å; F254-G360 WeakPolarHBondContact O-CA 3.37Å; A256-G360 PolarHBondContact O-N 2.9Å |
| 361 | G | 98.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | trans | -73.7 | 145.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N251 A359 W365 | N251-G361 WeakPolarHBondContact OD1-CA 3.32Å; A359-G361 VanDerWaalsContact C-N 3.34Å; G361-W365 PolarHBondContact O-N 3.44Å | ||
| 362 | S | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.4 | -30.7 | -179.3 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | N251 Y300 A366 | N251-S362 PolarHBondContact OD1-N 2.78Å; Y300-S362 VanDerWaalsContact OH-CB 3.23Å; Y300-S362 WeakPolarHBondContact OH-CB 3.22Å; Y300-S362 PolarHBondContact OH-OG 2.8Å; S362-A366 VanDerWaalsContact O-CB 3.29Å; S362-A366 WeakPolarHBondContact O-CB 3.46Å; S362-A366 PolarHBondContact O-N 3.13Å |
| 363 | D | 98.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.4 | -45.3 | 178.7 | 57.4 | -16.7 | 0 | 0 | 0 | 112.3 | Y300 T302 A366 Y367 S374 T376 | Y300-D363 HydrophobicContact CE1-CB 4.38Å; T302-D363 HydrophobicContact CG2-CB 4.22Å; D363-A366 PolarHBondContact O-N 2.94Å; D363-Y367 WeakPolarHBondContact O-CB 3.5Å; D363-Y367 PolarHBondContact O-N 2.97Å; D363-Y367 VanDerWaalsContact O-N 3.11Å; D363-S374 VanDerWaalsContact C-OG 3.31Å; D363-S374 VanDerWaalsContact CA-OG 3.28Å; D363-S374 WeakPolarHBondContact CA-OG 3.36Å; D363-S374 WeakPolarHBondContact O-CB 3.32Å; D363-S374 PolarHBondContact O-OG 2.89Å; D363-T376 WeakPolarHBondContact CB-OG1 3.48Å; D363-T376 PolarHBondContact OD2-OG1 3.21Å |
| 364 | D | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 172.7 | -80 | -9 | 0 | 0 | 0 | 111.2 | A256 P313 Y314 S315 Y316 A366 Y367 D368 | A256-D364 HydrophobicContact CB-CB 4.03Å; P313-D364 WeakPolarHBondContact CA-OD1 3.39Å; P313-D364 VanDerWaalsContact CB-OD1 3.31Å; P313-D364 WeakPolarHBondContact CB-OD1 3.41Å; Y314-D364 VanDerWaalsContact CA-OD1 3.25Å; Y314-D364 WeakPolarHBondContact CA-OD1 3.21Å; Y314-D364 HydrophobicContact CD1-CB 4.37Å; S315-D364 VanDerWaalsContact CA-OD2 3.28Å; S315-D364 WeakPolarHBondContact CA-OD2 3.46Å; S315-D364 VanDerWaalsContact CB-OD2 3.25Å; S315-D364 WeakPolarHBondContact CB-OD2 3.46Å; S315-D364 VanDerWaalsContact N-CG 3.31Å; S315-D364 PolarHBondContact N-OD1 3.22Å; S315-D364 PolarHBondContact N-OD2 2.89Å; Y316-D364 HydrophobicContact CD1-CB 3.61Å; Y316-D364 WeakPolarHBondContact CD1-OD2 3.17Å; Y316-D364 HydrophobicContact CE1-CB 3.85Å; Y316-D364 PolarHBondContact N-OD2 3.15Å; D364-A366 PolarHBondContact O-N 2.88Å; D364-Y367 PolarHBondContact O-N 3.1Å; D364-D368 PolarHBondContact O-N 2.94Å |
| 365 | W | 98.9 | Very high | 97.8 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 177 | 173.4 | 83.8 | 0 | 0 | 0 | 112.1 | F254 A256 A287 I290 R291 G361 Y367 D368 Q369 | F254-W365 HydrophobicContact CB-CB 3.8Å; F254-W365 HydrophobicContact CB-CG 4.07Å; F254-W365 HydrophobicContact CD1-CB 4.3Å; F254-W365 AromaticContact CD1-CD2 3.94Å; F254-W365 HydrophobicContact CD1-CD2 3.94Å; F254-W365 HydrophobicContact CD1-CE3 4.01Å; F254-W365 HydrophobicContact CD1-CG 4.05Å; F254-W365 HydrophobicContact CE1-CE3 4.39Å; F254-W365 HydrophobicContact CG-CB 4.39Å; A256-W365 HydrophobicContact CB-CB 3.9Å; A287-W365 HydrophobicContact CB-CH2 3.88Å; A287-W365 HydrophobicContact CB-CZ2 3.78Å; I290-W365 HydrophobicContact CB-CH2 3.75Å; I290-W365 HydrophobicContact CB-CZ3 3.89Å; I290-W365 HydrophobicContact CD1-CH2 4.47Å; I290-W365 HydrophobicContact CD1-CZ3 3.77Å; I290-W365 HydrophobicContact CG1-CZ3 4.42Å; I290-W365 HydrophobicContact CG2-CH2 3.66Å; I290-W365 HydrophobicContact CG2-CZ3 3.7Å; R291-W365 HydrophobicContact CG-CZ2 4.22Å; G361-W365 PolarHBondContact O-N 3.44Å; W365-Y367 PolarHBondContact O-N 2.98Å; W365-D368 PolarHBondContact O-N 2.96Å; W365-Q369 HydrophobicContact CD2-CG 4.13Å; W365-Q369 HydrophobicContact CH2-CG 4.17Å; W365-Q369 HydrophobicContact CZ2-CG 3.76Å; W365-Q369 VanDerWaalsContact O-CG 3.29Å; W365-Q369 WeakPolarHBondContact O-CG 3.21Å; W365-Q369 PolarHBondContact O-N 3.48Å |
| 366 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y300 S362 D363 D364 Q369 I371 | Y300-A366 HydrophobicContact CD1-CB 3.57Å; Y300-A366 HydrophobicContact CD2-CB 4.27Å; Y300-A366 HydrophobicContact CE1-CB 4.23Å; Y300-A366 HydrophobicContact CG-CB 3.59Å; S362-A366 VanDerWaalsContact O-CB 3.29Å; S362-A366 WeakPolarHBondContact O-CB 3.46Å; S362-A366 PolarHBondContact O-N 3.13Å; D363-A366 PolarHBondContact O-N 2.94Å; D364-A366 PolarHBondContact O-N 2.88Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.85Å; A366-I371 HydrophobicContact CB-CD1 4.15Å; A366-I371 VanDerWaalsContact O-CB 3.27Å; A366-I371 WeakPolarHBondContact O-CB 3.47Å; A366-I371 PolarHBondContact O-N 3.4Å; A366-I371 VanDerWaalsContact O-N 3.13Å |
| 367 | Y | 98.9 | Very high | 98.4 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 11% | 0.106 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.7 | -42.2 | 177.2 | -171.6 | -92.8 | 0 | 0 | 0 | 112.7 | P313 Y314 G321 E322 N323 L327 D363 D364 W365 Q369 G370 I371 R372 | P313-Y367 HydrophobicContact CB-CD1 4.17Å; P313-Y367 HydrophobicContact CB-CG 4.05Å; P313-Y367 HydrophobicContact CG-CD2 4.29Å; P313-Y367 HydrophobicContact CG-CG 3.91Å; Y314-Y367 AromaticContact CE1-CD1 3.91Å; Y314-Y367 HydrophobicContact CE1-CD1 3.91Å; Y314-Y367 HydrophobicContact CE2-CD1 4.11Å; Y314-Y367 AromaticContact CE2-CE1 3.91Å; Y314-Y367 HydrophobicContact CE2-CE1 3.91Å; Y314-Y367 AromaticContact CZ-CD1 3.49Å; Y314-Y367 VanDerWaalsContact CZ-CD1 3.49Å; Y314-Y367 AromaticContact CZ-CE1 3.66Å; Y314-Y367 VanDerWaalsContact OH-CD1 3.27Å; Y314-Y367 WeakPolarHBondContact OH-CD1 3.28Å; Y314-Y367 VanDerWaalsContact OH-CE1 3.3Å; Y314-Y367 WeakPolarHBondContact OH-CE1 3.29Å; G321-Y367 VanDerWaalsContact CA-OH 3.24Å; G321-Y367 WeakPolarHBondContact CA-OH 3.4Å; E322-Y367 PolarHBondContact N-OH 3.04Å; N323-Y367 VanDerWaalsContact OD1-CE2 3.28Å; N323-Y367 WeakPolarHBondContact OD1-CE2 3.43Å; N323-Y367 PolarHBondContact OD1-OH 3.5Å; L327-Y367 HydrophobicContact CD1-CE2 4.03Å; D363-Y367 WeakPolarHBondContact O-CB 3.5Å; D363-Y367 PolarHBondContact O-N 2.97Å; D363-Y367 VanDerWaalsContact O-N 3.11Å; D364-Y367 PolarHBondContact O-N 3.1Å; W365-Y367 PolarHBondContact O-N 2.98Å; Y367-Q369 PolarHBondContact O-N 3.31Å; Y367-G370 WeakPolarHBondContact O-CA 3.35Å; Y367-G370 PolarHBondContact O-N 2.96Å; Y367-I371 WeakPolarHBondContact CD2-O 3.26Å; Y367-R372 WeakPolarHBondContact CE2-O 3.15Å |
| 368 | D | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 18.6 Ų | 18.6 | 35% | 0.353 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -62.6 | -26.6 | 173.9 | -81.9 | -28.3 | 0 | 0 | 0 | 112.3 | Y314 Y316 D364 W365 G370 | Y314-D368 VanDerWaalsContact CE1-OD1 3.31Å; Y314-D368 WeakPolarHBondContact CE1-OD1 3.3Å; Y314-D368 PolarHBondContact OH-OD1 2.92Å; Y316-D368 VanDerWaalsContact CE1-OD2 3.22Å; Y316-D368 WeakPolarHBondContact CE1-OD2 3.39Å; Y316-D368 PolarHBondContact OH-OD1 2.79Å; Y316-D368 PolarHBondContact OH-OD2 3.31Å; D364-D368 PolarHBondContact O-N 2.94Å; W365-D368 PolarHBondContact O-N 2.96Å; D368-G370 PolarHBondContact O-N 2.92Å |
| 369 | Q | 98.7 | Very high | 98.8 | Very high | 69 Ų | 69 | 18.3 Ų | 18.3 | 32% | 0.322 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -6.3 | 171.2 | -67 | -64.7 | 117.5 | 0 | 0 | 113.8 | L294 W365 A366 Y367 | L294-Q369 HydrophobicContact CD1-CB 3.94Å; W365-Q369 HydrophobicContact CD2-CG 4.13Å; W365-Q369 HydrophobicContact CH2-CG 4.17Å; W365-Q369 HydrophobicContact CZ2-CG 3.76Å; W365-Q369 VanDerWaalsContact O-CG 3.29Å; W365-Q369 WeakPolarHBondContact O-CG 3.21Å; W365-Q369 PolarHBondContact O-N 3.48Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.85Å; Y367-Q369 PolarHBondContact O-N 3.31Å |
| 370 | G | 98.6 | Very high | 98.8 | Very high | 42 Ų | 42 | 19.7 Ų | 19.7 | 43% | 0.433 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | 6.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y367 D368 R372 Y417 | Y367-G370 WeakPolarHBondContact O-CA 3.35Å; Y367-G370 PolarHBondContact O-N 2.96Å; D368-G370 PolarHBondContact O-N 2.92Å; G370-R372 PolarHBondContact O-N 2.89Å; G370-R372 VanDerWaalsContact O-N 3.11Å; G370-Y417 PolarHBondContact O-OH 3.31Å |
| 371 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -76.5 | 98.4 | 173.2 | -58.7 | 168.6 | 0 | 0 | 0 | 108.6 | I290 L294 I297 A366 Y367 Y373 Y417 | I290-I371 HydrophobicContact CG2-CD1 3.73Å; L294-I371 HydrophobicContact CD1-CD1 4.05Å; L294-I371 HydrophobicContact CD1-CG1 3.88Å; I297-I371 HydrophobicContact CB-CD1 4.36Å; I297-I371 HydrophobicContact CG2-CD1 3.74Å; I297-I371 HydrophobicContact CG2-CG1 4.29Å; I297-I371 HydrophobicContact CG2-CG2 4.39Å; A366-I371 HydrophobicContact CB-CD1 4.15Å; A366-I371 VanDerWaalsContact O-CB 3.27Å; A366-I371 WeakPolarHBondContact O-CB 3.47Å; A366-I371 PolarHBondContact O-N 3.4Å; A366-I371 VanDerWaalsContact O-N 3.13Å; Y367-I371 WeakPolarHBondContact CD2-O 3.26Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 2.71Å; I371-Y417 WeakPolarHBondContact CA-OH 3.19Å | ||
| 372 | R | 98.8 | Very high | 98.8 | Very high | 126 Ų | 126 | 23.6 Ų | 23.6 | 48% | 0.475 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -62 | -26.8 | -170.1 | -64.8 | -174.8 | -177.2 | 179.7 | 1 | 115.3 | N323 L327 Y367 G370 Y417 | N323-R372 PolarHBondContact ND2-O 3.21Å; L327-R372 WeakPolarHBondContact CD2-O 3.26Å; Y367-R372 WeakPolarHBondContact CE2-O 3.15Å; G370-R372 PolarHBondContact O-N 2.89Å; G370-R372 VanDerWaalsContact O-N 3.11Å; R372-Y417 HydrophobicContact CB-CE1 3.85Å; R372-Y417 HydrophobicContact CG-CD1 4.31Å; R372-Y417 HydrophobicContact CG-CD2 4.44Å; R372-Y417 HydrophobicContact CG-CE1 3.88Å; R372-Y417 HydrophobicContact CG-CE2 4Å; R372-Y417 PolarHBondContact N-OH 2.76Å |
| 373 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 80.7 | -177.5 | -56.5 | -66.2 | 0 | 0 | 0 | 109.7 | K298 A299 Y300 E326 L327 L330 I371 Y411 V412 H415 Y417 | K298-Y373 WeakPolarHBondContact O-CD2 3.48Å; A299-Y373 CarbonylContact C-O 3.47Å; A299-Y373 WeakPolarHBondContact CA-O 3.43Å; A299-Y373 WeakPolarHBondContact CB-O 3.33Å; Y300-Y373 PolarHBondContact N-O 2.76Å; E326-Y373 HydrophobicContact CG-CE1 4.47Å; E326-Y373 WeakPolarHBondContact OE1-CE1 3.42Å; E326-Y373 PolarHBondContact OE1-OH 3.48Å; L327-Y373 HydrophobicContact CD2-CD1 3.94Å; L330-Y373 HydrophobicContact CD2-CD1 4.15Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 2.71Å; Y373-Y411 HydrophobicContact CE1-CD1 4.08Å; Y373-Y411 AromaticContact CE1-CE1 3.71Å; Y373-Y411 HydrophobicContact CE1-CE1 3.71Å; Y373-Y411 AromaticContact CZ-CE1 3.99Å; Y373-V412 HydrophobicContact CD2-CB 4.35Å; Y373-V412 HydrophobicContact CD2-CG1 4.16Å; Y373-V412 HydrophobicContact CD2-CG2 3.63Å; Y373-V412 HydrophobicContact CE2-CG1 4.49Å; Y373-V412 HydrophobicContact CE2-CG2 4.22Å; Y373-V412 HydrophobicContact CG-CG2 3.85Å; Y373-H415 WeakPolarHBondContact OH-CB 3.26Å; Y373-Y417 HydrophobicContact CD2-CE1 4.23Å; Y373-Y417 HydrophobicContact CE2-CD1 4.37Å; Y373-Y417 HydrophobicContact CE2-CE1 4.08Å |
| 374 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.6 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 110 | Y300 P313 D363 | Y300-S374 CarbonylContact O-C 3.56Å; Y300-S374 VanDerWaalsContact O-CA 3.31Å; Y300-S374 WeakPolarHBondContact O-CA 3.45Å; P313-S374 WeakPolarHBondContact CD-O 3.47Å; D363-S374 VanDerWaalsContact C-OG 3.31Å; D363-S374 VanDerWaalsContact CA-OG 3.28Å; D363-S374 WeakPolarHBondContact CA-OG 3.36Å; D363-S374 WeakPolarHBondContact O-CB 3.32Å; D363-S374 PolarHBondContact O-OG 2.89Å |
| 375 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.4 | -179.1 | -64.3 | -83.8 | 0 | 0 | 0 | 112.7 | Y300 L301 T302 L310 I311 Y312 L327 L330 A331 L377 I408 | Y300-F375 PolarHBondContact O-N 3.29Å; L301-F375 WeakPolarHBondContact CA-O 3.43Å; L301-F375 HydrophobicContact CD2-CB 3.81Å; L301-F375 HydrophobicContact CD2-CD2 3.74Å; L301-F375 HydrophobicContact CD2-CG 4.24Å; T302-F375 PolarHBondContact N-O 2.7Å; L310-F375 HydrophobicContact CD1-CB 3.95Å; L310-F375 HydrophobicContact CD1-CD1 3.96Å; L310-F375 HydrophobicContact CD1-CG 4.19Å; L310-F375 HydrophobicContact CG-CD1 4.25Å; I311-F375 CarbonylContact O-C 3.45Å; I311-F375 WeakPolarHBondContact O-CA 3.4Å; I311-F375 WeakPolarHBondContact O-CD1 3.36Å; Y312-F375 HydrophobicContact CD1-CD1 4.31Å; Y312-F375 AromaticContact CD1-CE1 3.93Å; Y312-F375 HydrophobicContact CD1-CE1 3.93Å; Y312-F375 HydrophobicContact CG-CD1 4.5Å; Y312-F375 HydrophobicContact CG-CE1 4.21Å; L327-F375 HydrophobicContact CB-CE1 4.4Å; L327-F375 HydrophobicContact CB-CZ 4.32Å; L327-F375 HydrophobicContact CD2-CE1 4.31Å; L327-F375 HydrophobicContact CD2-CE2 4.06Å; L327-F375 HydrophobicContact CD2-CZ 3.58Å; L330-F375 HydrophobicContact CD2-CE2 3.89Å; L330-F375 HydrophobicContact CD2-CZ 3.85Å; L330-F375 HydrophobicContact CG-CZ 4.2Å; A331-F375 HydrophobicContact CB-CE1 4.14Å; F375-L377 HydrophobicContact CB-CD1 4.36Å; F375-I408 HydrophobicContact CD2-CD1 4.45Å; F375-I408 HydrophobicContact CE2-CG2 4.41Å |
| 376 | T | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.6 | 167.8 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | T302 I311 D363 | T302-T376 HydrophobicContact CG2-CG2 4.26Å; T302-T376 WeakPolarHBondContact CG2-OG1 3.48Å; T302-T376 WeakPolarHBondContact O-CA 3.41Å; I311-T376 PolarHBondContact N-O 3.24Å; I311-T376 PolarHBondContact O-N 3.03Å; D363-T376 WeakPolarHBondContact CB-OG1 3.48Å; D363-T376 PolarHBondContact OD2-OG1 3.21Å |
| 377 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.5 | 175 | -76.1 | 85.5 | 0 | 0 | 0 | 110.2 | T302 I303 H304 L310 F375 L379 T401 I405 | T302-L377 PolarHBondContact O-N 3.48Å; I303-L377 HydrophobicContact CD1-CB 3.9Å; I303-L377 HydrophobicContact CD1-CD1 3.79Å; I303-L377 HydrophobicContact CD1-CD2 4.27Å; I303-L377 HydrophobicContact CD1-CG 4.18Å; H304-L377 CarbonylContact C-O 3.55Å; H304-L377 WeakPolarHBondContact CA-O 3.37Å; H304-L377 PolarHBondContact N-O 3.12Å; H304-L377 VanDerWaalsContact O-O 3.09Å; L310-L377 HydrophobicContact CD1-CD1 3.69Å; L310-L377 HydrophobicContact CD1-CD2 4.38Å; L310-L377 HydrophobicContact CD1-CG 3.66Å; F375-L377 HydrophobicContact CB-CD1 4.36Å; L377-L379 HydrophobicContact CB-CD2 4.17Å; L377-L379 HydrophobicContact CD2-CD2 4.49Å; L377-T401 HydrophobicContact CD2-CG2 3.93Å; L377-I405 HydrophobicContact CD1-CD1 4.16Å; L377-I405 HydrophobicContact CD2-CD1 3.99Å |
| 378 | E | 98.9 | Very high | 98.5 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 103.4 | 169.4 | -69 | -73.1 | 177.9 | 0 | 0 | 108.5 | H304 S305 Y306 Q308 M309 Y346 | H304-E378 HydrophobicContact CB-CG 4.5Å; H304-E378 WeakPolarHBondContact CB-OE2 3.26Å; S305-E378 VanDerWaalsContact CA-OE2 3.23Å; S305-E378 WeakPolarHBondContact CA-OE2 3.21Å; S305-E378 PolarHBondContact N-OE2 3.44Å; Y306-E378 PolarHBondContact N-OE2 3.41Å; Q308-E378 CarbonylContact C-O 3.56Å; Q308-E378 WeakPolarHBondContact CA-O 3.39Å; Q308-E378 PolarHBondContact N-O 2.89Å; M309-E378 HydrophobicContact CB-CB 4.02Å; M309-E378 HydrophobicContact CB-CG 4.43Å; M309-E378 HydrophobicContact CE-CB 4.29Å; M309-E378 HydrophobicContact CE-CG 4.03Å; M309-E378 HydrophobicContact CG-CB 4.44Å; M309-E378 PolarHBondContact N-O 3.4Å; M309-E378 PolarHBondContact O-N 3.2Å; Y346-E378 WeakPolarHBondContact CE1-O 3.21Å |
| 379 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | -170.8 | -173.5 | -59.2 | -171 | 0 | 0 | 0 | 112.9 | I181 F185 I303 H304 Y306 S307 Q308 Y346 L377 T397 T401 | I181-L379 HydrophobicContact CG1-CD1 4.23Å; I181-L379 HydrophobicContact CG2-CB 4.14Å; I181-L379 HydrophobicContact CG2-CD1 4.32Å; F185-L379 HydrophobicContact CB-CD1 4.01Å; F185-L379 HydrophobicContact CG-CD1 4.42Å; I303-L379 HydrophobicContact CG2-CD1 3.62Å; I303-L379 HydrophobicContact CG2-CD2 4.24Å; I303-L379 HydrophobicContact CG2-CG 3.85Å; H304-L379 WeakPolarHBondContact O-CB 3.3Å; H304-L379 VanDerWaalsContact O-CG 3.31Å; H304-L379 WeakPolarHBondContact O-CG 3.49Å; H304-L379 PolarHBondContact O-N 3.17Å; Y306-L379 WeakPolarHBondContact CA-O 3.42Å; S307-L379 PolarHBondContact N-O 3.23Å; Q308-L379 PolarHBondContact N-O 3.22Å; Q308-L379 VanDerWaalsContact N-O 3.1Å; Y346-L379 WeakPolarHBondContact OH-CA 3.49Å; L377-L379 HydrophobicContact CB-CD2 4.17Å; L377-L379 HydrophobicContact CD2-CD2 4.49Å; L379-T397 HydrophobicContact CB-CG2 4.23Å; L379-T397 HydrophobicContact CD1-CG2 4.29Å; L379-T401 HydrophobicContact CD2-CG2 3.7Å |
| 380 | R | 98.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 11% | 0.106 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -59.1 | 155 | 176.3 | -67.6 | -162.5 | -168.5 | -173.9 | 3 | 112.4 | Q308 T344 L389 T397 E400 | Q308-R380 HydrophobicContact CG-CG 4.28Å; T344-R380 HydrophobicContact CG2-CG 4.33Å; T344-R380 PolarHBondContact OG1-NH2 2.85Å; R380-L389 HydrophobicContact CB-CD1 4.39Å; R380-L389 HydrophobicContact CB-CD2 3.95Å; R380-T397 HydrophobicContact CB-CG2 4.11Å; R380-T397 WeakPolarHBondContact CD-OG1 3.45Å; R380-T397 HydrophobicContact CG-CG2 4.01Å; R380-E400 IonicContact CZ-OE1 2.71Å; R380-E400 IonicContact CZ-OE2 2.76Å; R380-E400 IonicContact NE-OE1 3.21Å; R380-E400 PolarHBondContact NE-OE1 3.14Å; R380-E400 IonicContact NE-OE2 3.7Å; R380-E400 VanDerWaalsContact NH2-CD 3.33Å; R380-E400 IonicContact NH2-OE1 3.33Å; R380-E400 PolarHBondContact NH2-OE1 3.28Å; R380-E400 IonicContact NH2-OE2 3.8Å; R380-E400 PolarHBondContact NH2-OE2 3.02Å |
| 381 | D | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 25.3 Ų | 25.3 | 6% | 0.059 | 11% | 0.109 | C | C | . | . | cis | -105.3 | -149.7 | -5.4 | 68.2 | 1.9 | 0 | 0 | 0 | 111.6 | Y306 S307 G383 R384 Y385 G386 L389 | Y306-D381 WeakPolarHBondContact CB-O 3.45Å; Y306-D381 WeakPolarHBondContact CD2-O 3.42Å; S307-D381 CarbonylContact C-O 3.59Å; S307-D381 VanDerWaalsContact CA-O 3.22Å; S307-D381 WeakPolarHBondContact CA-O 3.5Å; S307-D381 PolarHBondContact N-O 3.38Å; S307-D381 VanDerWaalsContact N-O 3.09Å; D381-G383 WeakPolarHBondContact OD1-CA 3.24Å; D381-G383 PolarHBondContact OD1-N 3.35Å; D381-R384 PolarHBondContact OD1-N 2.92Å; D381-R384 WeakPolarHBondContact OD2-CB 3.28Å; D381-R384 PolarHBondContact OD2-N 3.25Å; D381-Y385 WeakPolarHBondContact OD2-CD2 3.45Å; D381-Y385 PolarHBondContact OD2-N 3.33Å; D381-G386 WeakPolarHBondContact OD1-CA 3.38Å; D381-G386 PolarHBondContact OD1-N 3.22Å; D381-L389 HydrophobicContact CB-CD1 4.04Å | ||
| 382 | T | 98.1 | Very high | 98.5 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 45% | 0.454 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -106.4 | 21.4 | 175.9 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | R29 Q308 | R29-T382 PolarHBondContact NH1-O 2.89Å; R29-T382 PolarHBondContact NH2-O 3.28Å; Q308-T382 HydrophobicContact CB-CG2 4.36Å; Q308-T382 HydrophobicContact CG-CG2 4.12Å |
| 383 | G | 97 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 114.1 | -3.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y306 D381 Y385 | Y306-G383 VanDerWaalsContact CE2-CA 3.47Å; D381-G383 WeakPolarHBondContact OD1-CA 3.24Å; D381-G383 PolarHBondContact OD1-N 3.35Å; G383-Y385 VanDerWaalsContact C-N 3.34Å; G383-Y385 PolarHBondContact O-N 3.29Å |
| 384 | R | 97.6 | Very high | 98.5 | Very high | 170 Ų | 170 | 24.6 Ų | 24.6 | 64% | 0.642 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -63 | -43.9 | 175.9 | 171.8 | 179.7 | 177 | 170.9 | 1.7 | 111 | D381 | D381-R384 PolarHBondContact OD1-N 2.92Å; D381-R384 WeakPolarHBondContact OD2-CB 3.28Å; D381-R384 PolarHBondContact OD2-N 3.25Å |
| 385 | Y | 98.3 | Very high | 98.5 | Very high | 51 Ų | 51 | 31 Ų | 31 | 20% | 0.2 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -109.7 | -28.9 | 173.1 | -58 | -73.4 | 0 | 0 | 0 | 111.4 | V100 D381 G383 F387 A388 L389 P390 Q393 | V100-Y385 HydrophobicContact CG1-CD1 3.95Å; D381-Y385 WeakPolarHBondContact OD2-CD2 3.45Å; D381-Y385 PolarHBondContact OD2-N 3.33Å; G383-Y385 VanDerWaalsContact C-N 3.34Å; G383-Y385 PolarHBondContact O-N 3.29Å; Y385-F387 PolarHBondContact O-N 2.8Å; Y385-A388 PolarHBondContact O-N 2.92Å; Y385-L389 HydrophobicContact CD2-CD1 4.09Å; Y385-P390 HydrophobicContact CD1-CG 3.98Å; Y385-P390 HydrophobicContact CD2-CG 4.43Å; Y385-P390 HydrophobicContact CE1-CG 3.83Å; Y385-P390 HydrophobicContact CE2-CG 4.3Å; Y385-P390 HydrophobicContact CG-CG 4.29Å; Y385-Q393 VanDerWaalsContact CE2-NE2 3.35Å |
| 386 | G | 98.3 | Very high | 98.5 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | 54.2 | -123.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y306 D381 A388 | Y306-G386 VanDerWaalsContact CD1-CA 3.48Å; D381-G386 WeakPolarHBondContact OD1-CA 3.38Å; D381-G386 PolarHBondContact OD1-N 3.22Å; G386-A388 PolarHBondContact O-N 3.43Å |
| 387 | F | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -70.2 | -13.5 | -179.3 | -51.2 | -59.5 | 0 | 0 | 0 | 114.3 | W53 Q104 R178 E179 R231 S305 Y306 Y385 | W53-F387 HydrophobicContact CB-CE2 3.78Å; W53-F387 HydrophobicContact CB-CZ 4.35Å; W53-F387 AromaticContact CD1-CE2 3.72Å; W53-F387 AromaticContact CD2-CD2 3.57Å; W53-F387 HydrophobicContact CD2-CD2 3.57Å; W53-F387 AromaticContact CD2-CE2 3.52Å; W53-F387 HydrophobicContact CD2-CE2 3.52Å; W53-F387 AromaticContact CE2-CD2 3.67Å; W53-F387 AromaticContact CE2-CE2 3.93Å; W53-F387 AromaticContact CE3-CD2 3.87Å; W53-F387 HydrophobicContact CE3-CD2 3.87Å; W53-F387 HydrophobicContact CE3-CE2 4.04Å; W53-F387 AromaticContact CG-CD2 3.98Å; W53-F387 HydrophobicContact CG-CD2 3.98Å; W53-F387 AromaticContact CG-CE2 3.4Å; W53-F387 HydrophobicContact CG-CE2 3.4Å; W53-F387 VanDerWaalsContact CG-CE2 3.4Å; W53-F387 HydrophobicContact CG-CZ 4.41Å; W53-F387 HydrophobicContact CH2-CD2 4.33Å; W53-F387 HydrophobicContact CZ2-CD2 4.07Å; W53-F387 HydrophobicContact CZ3-CD2 4.23Å; W53-F387 AromaticContact NE1-CE2 3.99Å; Q104-F387 PolarHBondContact NE2-O 3.11Å; R178-F387 HydrophobicContact CG-CD1 4.12Å; R178-F387 HydrophobicContact CG-CD2 4.28Å; R178-F387 HydrophobicContact CG-CE1 4.39Å; R178-F387 HydrophobicContact CG-CG 4.06Å; E179-F387 HydrophobicContact CG-CD1 3.9Å; E179-F387 HydrophobicContact CG-CE1 3.92Å; R231-F387 PolarHBondContact NH2-O 2.73Å; S305-F387 VanDerWaalsContact O-CE1 3.26Å; S305-F387 WeakPolarHBondContact O-CE1 3.47Å; Y306-F387 AromaticContact CD1-CD1 3.81Å; Y306-F387 HydrophobicContact CD1-CD1 3.81Å; Y306-F387 AromaticContact CD1-CE1 3.55Å; Y306-F387 HydrophobicContact CD1-CE1 3.55Å; Y306-F387 HydrophobicContact CD1-CE2 4.36Å; Y306-F387 HydrophobicContact CD1-CG 4.33Å; Y306-F387 AromaticContact CD1-CZ 3.83Å; Y306-F387 HydrophobicContact CD1-CZ 3.83Å; Y306-F387 HydrophobicContact CE1-CD1 4.33Å; Y306-F387 HydrophobicContact CE1-CD2 4.35Å; Y306-F387 AromaticContact CE1-CE1 3.89Å; Y306-F387 HydrophobicContact CE1-CE1 3.89Å; Y306-F387 AromaticContact CE1-CE2 3.92Å; Y306-F387 HydrophobicContact CE1-CE2 3.92Å; Y306-F387 AromaticContact CE1-CZ 3.65Å; Y306-F387 HydrophobicContact CE1-CZ 3.65Å; Y385-F387 PolarHBondContact O-N 2.8Å |
| 388 | A | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -98 | 31.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V100 Y385 G386 | V100-A388 HydrophobicContact CG1-CB 3.75Å; Y385-A388 PolarHBondContact O-N 2.92Å; G386-A388 PolarHBondContact O-N 3.43Å |
| 389 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -53.2 | 127.2 | 178.8 | -169.7 | 72.7 | 0 | 0 | 0 | 111.1 | Q104 Y119 I181 R380 D381 Y385 Q393 | Q104-L389 WeakPolarHBondContact CG-O 3.37Å; Q104-L389 PolarHBondContact NE2-O 3.21Å; Q104-L389 VanDerWaalsContact NE2-O 3.09Å; Y119-L389 WeakPolarHBondContact CE2-O 3.41Å; Y119-L389 VanDerWaalsContact CZ-O 3.3Å; Y119-L389 PolarHBondContact OH-O 3.15Å; I181-L389 HydrophobicContact CB-CD2 4.27Å; I181-L389 HydrophobicContact CD1-CD2 4.08Å; I181-L389 HydrophobicContact CG1-CD2 3.89Å; R380-L389 HydrophobicContact CB-CD1 4.39Å; R380-L389 HydrophobicContact CB-CD2 3.95Å; D381-L389 HydrophobicContact CB-CD1 4.04Å; Y385-L389 HydrophobicContact CD2-CD1 4.09Å; L389-Q393 HydrophobicContact CD1-CB 4.19Å; L389-Q393 HydrophobicContact CD1-CG 4.47Å; L389-Q393 HydrophobicContact CD2-CB 4.21Å; L389-Q393 HydrophobicContact CG-CB 4.02Å | ||
| 390 | P | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 5% | 0.045 | 16% | 0.157 | C | C | . | . | trans | -64 | 150.1 | -176 | -24 | 33.5 | 0 | 0 | 0 | 114.4 | Y385 S392 Q393 | Y385-P390 HydrophobicContact CD1-CG 3.98Å; Y385-P390 HydrophobicContact CD2-CG 4.43Å; Y385-P390 HydrophobicContact CE1-CG 3.83Å; Y385-P390 HydrophobicContact CE2-CG 4.3Å; Y385-P390 HydrophobicContact CG-CG 4.29Å; P390-S392 PolarHBondContact O-N 3.26Å; P390-Q393 PolarHBondContact O-N 3.2Å | ||
| 391 | E | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.056 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -56.6 | -33.8 | 176.5 | -74.5 | 179.6 | 147.2 | 0 | 0 | 112.8 | Q104 F105 D106 S107 K118 Y119 Q393 I394 | Q104-E391 WeakPolarHBondContact O-CG 3.35Å; Q104-E391 PolarHBondContact O-N 2.99Å; F105-E391 WeakPolarHBondContact CA-OE2 3.38Å; D106-E391 WeakPolarHBondContact OD1-CB 3.23Å; D106-E391 PolarHBondContact OD1-N 2.8Å; D106-E391 VanDerWaalsContact OD1-N 3.13Å; S107-E391 WeakPolarHBondContact CB-OE2 3.24Å; S107-E391 PolarHBondContact N-OE2 3.39Å; S107-E391 VanDerWaalsContact N-OE2 3.11Å; K118-E391 WeakPolarHBondContact CA-OE1 3.29Å; K118-E391 VanDerWaalsContact CB-OE1 3.26Å; K118-E391 WeakPolarHBondContact CB-OE1 3.39Å; Y119-E391 HydrophobicContact CD2-CG 3.56Å; Y119-E391 HydrophobicContact CE2-CG 3.84Å; Y119-E391 HydrophobicContact CG-CG 4.4Å; Y119-E391 PolarHBondContact N-OE1 2.84Å; E391-Q393 PolarHBondContact O-N 3.38Å; E391-Q393 VanDerWaalsContact O-N 3.14Å; E391-I394 HydrophobicContact CB-CD1 4.08Å; E391-I394 HydrophobicContact CG-CD1 4Å; E391-I394 WeakPolarHBondContact O-CB 3.2Å; E391-I394 WeakPolarHBondContact O-CG1 3.01Å; E391-I394 PolarHBondContact O-N 3.09Å |
| 392 | S | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 31.8 Ų | 31.8 | 52% | 0.524 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59.6 | -20.8 | 174.5 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | D106 P390 | D106-S392 WeakPolarHBondContact OD1-CB 3.21Å; D106-S392 PolarHBondContact OD1-N 2.9Å; D106-S392 PolarHBondContact OD1-OG 2.82Å; D106-S392 WeakPolarHBondContact OD2-CB 3.47Å; D106-S392 PolarHBondContact OD2-OG 2.88Å; P390-S392 PolarHBondContact O-N 3.26Å |
| 393 | Q | 98.8 | Very high | 98.5 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 19% | 0.192 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -93.6 | -7.9 | 175.1 | -67.8 | -154.5 | 62 | 0 | 0 | 114.2 | Y385 L389 P390 E391 R395 A396 T397 | Y385-Q393 VanDerWaalsContact CE2-NE2 3.35Å; L389-Q393 HydrophobicContact CD1-CB 4.19Å; L389-Q393 HydrophobicContact CD1-CG 4.47Å; L389-Q393 HydrophobicContact CD2-CB 4.21Å; L389-Q393 HydrophobicContact CG-CB 4.02Å; P390-Q393 PolarHBondContact O-N 3.2Å; E391-Q393 PolarHBondContact O-N 3.38Å; E391-Q393 VanDerWaalsContact O-N 3.14Å; Q393-R395 PolarHBondContact O-N 3.2Å; Q393-A396 PolarHBondContact O-N 3.23Å; Q393-T397 WeakPolarHBondContact O-CB 3.1Å; Q393-T397 PolarHBondContact O-N 3.23Å; Q393-T397 PolarHBondContact O-OG1 3.29Å |
| 394 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.8 | -50.9 | -179.8 | -68.8 | 170.2 | 0 | 0 | 0 | 110.3 | Y116 Y119 I181 A184 E391 A396 T397 C398 | Y116-I394 VanDerWaalsContact O-CG2 3.31Å; Y116-I394 WeakPolarHBondContact O-CG2 3.46Å; Y119-I394 HydrophobicContact CD1-CD1 3.95Å; Y119-I394 HydrophobicContact CD2-CD1 4.25Å; Y119-I394 HydrophobicContact CE1-CD1 3.76Å; Y119-I394 HydrophobicContact CE1-CG1 4Å; Y119-I394 HydrophobicContact CE2-CD1 4.05Å; Y119-I394 HydrophobicContact CE2-CG1 4.45Å; Y119-I394 HydrophobicContact CG-CD1 4.21Å; I181-I394 HydrophobicContact CD1-CB 4.29Å; I181-I394 HydrophobicContact CD1-CG1 3.93Å; I181-I394 HydrophobicContact CD1-CG2 4.42Å; A184-I394 HydrophobicContact CB-CG2 4.07Å; E391-I394 HydrophobicContact CB-CD1 4.08Å; E391-I394 HydrophobicContact CG-CD1 4Å; E391-I394 WeakPolarHBondContact O-CB 3.2Å; E391-I394 WeakPolarHBondContact O-CG1 3.01Å; E391-I394 PolarHBondContact O-N 3.09Å; I394-A396 PolarHBondContact O-N 2.77Å; I394-T397 PolarHBondContact O-N 3.26Å; I394-C398 WeakPolarHBondContact O-CB 3.39Å; I394-C398 PolarHBondContact O-N 3.33Å; I394-C398 PolarHBondContact O-SG 2.88Å |
| 395 | R | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 21.7 Ų | 21.7 | 51% | 0.506 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -55.5 | -56.8 | -179.2 | 174.7 | 177.1 | -61 | -176.7 | 0.5 | 111.7 | V117 W188 Q393 T397 C398 E399 | V117-R395 HydrophobicContact CG1-CB 4.12Å; W188-R395 HydrophobicContact CH2-CB 4.03Å; W188-R395 HydrophobicContact CH2-CG 3.63Å; W188-R395 HydrophobicContact CZ2-CG 4.1Å; W188-R395 HydrophobicContact CZ3-CB 4.27Å; W188-R395 HydrophobicContact CZ3-CG 4.37Å; Q393-R395 PolarHBondContact O-N 3.2Å; R395-T397 VanDerWaalsContact C-N 3.3Å; R395-T397 PolarHBondContact O-N 3.14Å; R395-C398 PolarHBondContact O-N 3.4Å; R395-E399 WeakPolarHBondContact CD-OE1 3.43Å; R395-E399 VanDerWaalsContact CG-CD 3.42Å; R395-E399 HydrophobicContact CG-CG 4.11Å; R395-E399 WeakPolarHBondContact CG-OE1 3.41Å; R395-E399 WeakPolarHBondContact O-CB 3.2Å; R395-E399 VanDerWaalsContact O-CG 3.26Å; R395-E399 WeakPolarHBondContact O-CG 3.44Å; R395-E399 PolarHBondContact O-N 2.92Å |
| 396 | A | 98.8 | Very high | 98.7 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 19% | 0.19 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H342 Q393 I394 E400 | H342-A396 PolarHBondContact CD2-O 3.39Å; H342-A396 VanDerWaalsContact CD2-O 3.25Å; Q393-A396 PolarHBondContact O-N 3.23Å; I394-A396 PolarHBondContact O-N 2.77Å; A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.2Å |
| 397 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 176.5 | -53 | 0 | 0 | 0 | 0 | 111.4 | I181 L379 R380 Q393 I394 R395 E400 T401 | I181-T397 HydrophobicContact CD1-CG2 4.11Å; I181-T397 HydrophobicContact CG1-CG2 3.75Å; L379-T397 HydrophobicContact CB-CG2 4.23Å; L379-T397 HydrophobicContact CD1-CG2 4.29Å; R380-T397 HydrophobicContact CB-CG2 4.11Å; R380-T397 WeakPolarHBondContact CD-OG1 3.45Å; R380-T397 HydrophobicContact CG-CG2 4.01Å; Q393-T397 WeakPolarHBondContact O-CB 3.1Å; Q393-T397 PolarHBondContact O-N 3.23Å; Q393-T397 PolarHBondContact O-OG1 3.29Å; I394-T397 PolarHBondContact O-N 3.26Å; R395-T397 VanDerWaalsContact C-N 3.3Å; R395-T397 PolarHBondContact O-N 3.14Å; T397-E400 WeakPolarHBondContact O-CG 3.14Å; T397-T401 VanDerWaalsContact O-CB 3.28Å; T397-T401 WeakPolarHBondContact O-CB 3.45Å; T397-T401 PolarHBondContact O-N 3.25Å; T397-T401 VanDerWaalsContact O-N 3.13Å; T397-T401 PolarHBondContact O-OG1 3.33Å |
| 398 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.8 | -36 | -177.5 | -61 | 0 | 0 | 0 | 0 | 112.7 | F185 W188 I394 R395 L402 | F185-C398 HydrophobicContact CD2-CB 4.19Å; W188-C398 HydrophobicContact CB-CB 3.56Å; W188-C398 VanDerWaalsContact CD1-CB 3.42Å; W188-C398 HydrophobicContact CD2-CB 3.56Å; W188-C398 HydrophobicContact CE3-CB 4.23Å; W188-C398 HydrophobicContact CG-CB 3.21Å; I394-C398 WeakPolarHBondContact O-CB 3.39Å; I394-C398 PolarHBondContact O-N 3.33Å; I394-C398 PolarHBondContact O-SG 2.88Å; R395-C398 PolarHBondContact O-N 3.4Å; C398-L402 VanDerWaalsContact O-CB 3.29Å; C398-L402 WeakPolarHBondContact O-CB 3.35Å; C398-L402 PolarHBondContact O-N 3.17Å |
| 399 | E | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 24.2 Ų | 24.2 | 28% | 0.28 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.6 | -49 | 176.6 | -72.6 | 170.2 | 166.4 | 0 | 0 | 111.9 | W188 L341 H342 R395 L402 L403 | W188-E399 HydrophobicContact CZ2-CG 3.72Å; L341-E399 HydrophobicContact CD2-CB 3.55Å; H342-E399 IonicContact CE1-OE2 3.61Å; H342-E399 IonicContact NE2-OE2 3.86Å; H342-E399 PolarHBondContact NE2-OE2 3.29Å; R395-E399 WeakPolarHBondContact CD-OE1 3.43Å; R395-E399 VanDerWaalsContact CG-CD 3.42Å; R395-E399 HydrophobicContact CG-CG 4.11Å; R395-E399 WeakPolarHBondContact CG-OE1 3.41Å; R395-E399 WeakPolarHBondContact O-CB 3.2Å; R395-E399 VanDerWaalsContact O-CG 3.26Å; R395-E399 WeakPolarHBondContact O-CG 3.44Å; R395-E399 PolarHBondContact O-N 2.92Å; E399-L402 PolarHBondContact O-N 2.94Å; E399-L403 PolarHBondContact O-N 3.03Å |
| 400 | E | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 179.1 | 69.9 | -171.6 | -166.9 | 0 | 0 | 112 | L338 H342 T344 R380 A396 T397 L402 L403 A404 | L338-E400 HydrophobicContact CD1-CG 4.49Å; L338-E400 HydrophobicContact CD2-CB 3.96Å; L338-E400 HydrophobicContact CD2-CG 3.79Å; L338-E400 HydrophobicContact CG-CB 3.89Å; L338-E400 HydrophobicContact CG-CG 3.91Å; L338-E400 WeakPolarHBondContact CG-O 3.43Å; H342-E400 IonicContact CD2-OE2 3.39Å; T344-E400 WeakPolarHBondContact CB-OE2 3.44Å; T344-E400 WeakPolarHBondContact CG2-OE1 3.4Å; T344-E400 VanDerWaalsContact OG1-CD 3.3Å; T344-E400 PolarHBondContact OG1-OE1 3.31Å; T344-E400 PolarHBondContact OG1-OE2 2.93Å; R380-E400 IonicContact CZ-OE1 2.71Å; R380-E400 IonicContact CZ-OE2 2.76Å; R380-E400 IonicContact NE-OE1 3.21Å; R380-E400 PolarHBondContact NE-OE1 3.14Å; R380-E400 IonicContact NE-OE2 3.7Å; R380-E400 VanDerWaalsContact NH2-CD 3.33Å; R380-E400 IonicContact NH2-OE1 3.33Å; R380-E400 PolarHBondContact NH2-OE1 3.28Å; R380-E400 IonicContact NH2-OE2 3.8Å; R380-E400 PolarHBondContact NH2-OE2 3.02Å; A396-E400 WeakPolarHBondContact O-CG 3.43Å; A396-E400 PolarHBondContact O-N 3.2Å; T397-E400 WeakPolarHBondContact O-CG 3.14Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.14Å; E400-L403 WeakPolarHBondContact O-CB 3.35Å; E400-L403 PolarHBondContact O-N 3.24Å; E400-L403 VanDerWaalsContact O-N 3.17Å; E400-A404 PolarHBondContact O-N 2.59Å |
| 401 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 178.3 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | F185 L377 L379 T397 L403 A404 I405 | F185-T401 HydrophobicContact CD1-CG2 4.39Å; F185-T401 HydrophobicContact CD2-CG2 3.73Å; F185-T401 HydrophobicContact CE1-CG2 4.13Å; F185-T401 HydrophobicContact CE2-CG2 3.43Å; F185-T401 VanDerWaalsContact CE2-CG2 3.43Å; F185-T401 HydrophobicContact CG-CG2 4.21Å; F185-T401 HydrophobicContact CZ-CG2 3.67Å; L377-T401 HydrophobicContact CD2-CG2 3.93Å; L379-T401 HydrophobicContact CD2-CG2 3.7Å; T397-T401 VanDerWaalsContact O-CB 3.28Å; T397-T401 WeakPolarHBondContact O-CB 3.45Å; T397-T401 PolarHBondContact O-N 3.25Å; T397-T401 VanDerWaalsContact O-N 3.13Å; T397-T401 PolarHBondContact O-OG1 3.33Å; T401-L403 PolarHBondContact O-N 3.15Å; T401-A404 PolarHBondContact O-N 2.98Å; T401-A404 VanDerWaalsContact O-N 3.14Å; T401-I405 HydrophobicContact CG2-CG1 4.31Å; T401-I405 WeakPolarHBondContact O-CG1 3.22Å; T401-I405 PolarHBondContact O-N 3.28Å |
| 402 | L | 98.9 | Very high | 98.8 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.5 | -35 | 176.1 | -177.7 | 65.4 | 0 | 0 | 0 | 111.9 | F189 E192 C398 E399 E400 I405 K406 | F189-L402 HydrophobicContact CD2-CD1 3.61Å; F189-L402 HydrophobicContact CE2-CD1 4.03Å; E192-L402 HydrophobicContact CB-CD2 3.5Å; E192-L402 HydrophobicContact CG-CD2 3.6Å; C398-L402 VanDerWaalsContact O-CB 3.29Å; C398-L402 WeakPolarHBondContact O-CB 3.35Å; C398-L402 PolarHBondContact O-N 3.17Å; E399-L402 PolarHBondContact O-N 2.94Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.14Å; L402-I405 PolarHBondContact O-N 3.36Å; L402-K406 HydrophobicContact CD1-CG 4.23Å; L402-K406 HydrophobicContact CG-CD 4.37Å; L402-K406 HydrophobicContact CG-CG 4.28Å; L402-K406 WeakPolarHBondContact O-CB 3.16Å; L402-K406 VanDerWaalsContact O-CG 3.3Å; L402-K406 WeakPolarHBondContact O-CG 3.39Å; L402-K406 PolarHBondContact O-N 3.36Å |
| 403 | L | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 16% | 0.162 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 175.6 | -62.9 | -178.9 | 0 | 0 | 0 | 111.8 | E337 L341 E399 E400 T401 I405 K406 Y407 | E337-L403 HydrophobicContact CG-CB 4.05Å; L341-L403 HydrophobicContact CB-CD1 3.7Å; L341-L403 HydrophobicContact CD2-CD1 4.14Å; L341-L403 HydrophobicContact CG-CD1 4.39Å; E399-L403 PolarHBondContact O-N 3.03Å; E400-L403 WeakPolarHBondContact O-CB 3.35Å; E400-L403 PolarHBondContact O-N 3.24Å; E400-L403 VanDerWaalsContact O-N 3.17Å; T401-L403 PolarHBondContact O-N 3.15Å; L403-I405 PolarHBondContact O-N 2.9Å; L403-K406 PolarHBondContact O-N 2.85Å; L403-Y407 WeakPolarHBondContact O-CB 3.44Å; L403-Y407 PolarHBondContact O-N 2.88Å |
| 404 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A334 L338 E400 T401 Y407 I408 | A334-A404 HydrophobicContact CB-CB 4.29Å; L338-A404 HydrophobicContact CB-CB 4.19Å; L338-A404 HydrophobicContact CD1-CB 4.17Å; E400-A404 PolarHBondContact O-N 2.59Å; T401-A404 PolarHBondContact O-N 2.98Å; T401-A404 VanDerWaalsContact O-N 3.14Å; A404-Y407 WeakPolarHBondContact O-CB 3.32Å; A404-Y407 PolarHBondContact O-N 3.47Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 2.78Å |
| 405 | I | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | -178.8 | -61.3 | -63.4 | 0 | 0 | 0 | 111.5 | I171 F185 F189 L301 I303 L377 T401 L402 L403 Y407 I408 A409 | I171-I405 HydrophobicContact CD1-CG2 3.77Å; F185-I405 HydrophobicContact CE1-CG1 4.26Å; F185-I405 HydrophobicContact CZ-CG1 3.74Å; F189-I405 HydrophobicContact CD2-CG2 4.18Å; F189-I405 HydrophobicContact CE2-CG2 3.77Å; L301-I405 HydrophobicContact CD1-CD1 3.64Å; L301-I405 HydrophobicContact CD1-CG2 4.22Å; I303-I405 HydrophobicContact CD1-CD1 4.37Å; L377-I405 HydrophobicContact CD1-CD1 4.16Å; L377-I405 HydrophobicContact CD2-CD1 3.99Å; T401-I405 HydrophobicContact CG2-CG1 4.31Å; T401-I405 WeakPolarHBondContact O-CG1 3.22Å; T401-I405 PolarHBondContact O-N 3.28Å; L402-I405 PolarHBondContact O-N 3.36Å; L403-I405 PolarHBondContact O-N 2.9Å; I405-Y407 VanDerWaalsContact C-N 3.31Å; I405-Y407 PolarHBondContact O-N 2.87Å; I405-I408 PolarHBondContact O-N 2.76Å; I405-A409 VanDerWaalsContact O-CB 3.27Å; I405-A409 WeakPolarHBondContact O-CB 3.47Å; I405-A409 PolarHBondContact O-N 3.17Å |
| 406 | K | 98.8 | Very high | 98.8 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 10% | 0.096 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 173 | -74.4 | -168.9 | -56 | 164.9 | 0 | 111.4 | I203 L206 L402 L403 A409 S410 | I203-K406 HydrophobicContact CD1-CD 3.52Å; I203-K406 HydrophobicContact CD1-CG 3.82Å; I203-K406 HydrophobicContact CG1-CD 3.85Å; L206-K406 HydrophobicContact CD1-CB 4.43Å; L206-K406 HydrophobicContact CD1-CG 4.37Å; L402-K406 HydrophobicContact CD1-CG 4.23Å; L402-K406 HydrophobicContact CG-CD 4.37Å; L402-K406 HydrophobicContact CG-CG 4.28Å; L402-K406 WeakPolarHBondContact O-CB 3.16Å; L402-K406 VanDerWaalsContact O-CG 3.3Å; L402-K406 WeakPolarHBondContact O-CG 3.39Å; L402-K406 PolarHBondContact O-N 3.36Å; L403-K406 PolarHBondContact O-N 2.85Å; K406-A409 PolarHBondContact O-N 3.04Å; K406-S410 WeakPolarHBondContact O-CB 3.39Å; K406-S410 PolarHBondContact O-N 2.87Å; K406-S410 PolarHBondContact O-OG 2.89Å |
| 407 | Y | 98.9 | Very high | 98.7 | Very high | 88 Ų | 88 | 35 Ų | 35 | 35% | 0.345 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.1 | -49.7 | 177.6 | -167.9 | -83.1 | 0 | 0 | 0 | 111.5 | L330 A333 A334 E337 L403 A404 I405 A409 S410 Y411 | L330-Y407 HydrophobicContact CD1-CD1 3.94Å; L330-Y407 HydrophobicContact CD1-CE1 3.88Å; A333-Y407 HydrophobicContact CB-CD1 4.38Å; A333-Y407 HydrophobicContact CB-CE1 3.47Å; A333-Y407 VanDerWaalsContact CB-CE1 3.47Å; A333-Y407 WeakPolarHBondContact CB-OH 3.42Å; A334-Y407 HydrophobicContact CB-CD1 4.35Å; E337-Y407 HydrophobicContact CB-CD2 4.16Å; E337-Y407 HydrophobicContact CB-CG 4.43Å; E337-Y407 HydrophobicContact CG-CD2 4.06Å; E337-Y407 HydrophobicContact CG-CG 4.47Å; L403-Y407 WeakPolarHBondContact O-CB 3.44Å; L403-Y407 PolarHBondContact O-N 2.88Å; A404-Y407 WeakPolarHBondContact O-CB 3.32Å; A404-Y407 PolarHBondContact O-N 3.47Å; I405-Y407 VanDerWaalsContact C-N 3.31Å; I405-Y407 PolarHBondContact O-N 2.87Å; Y407-A409 VanDerWaalsContact C-N 3.34Å; Y407-A409 PolarHBondContact O-N 2.89Å; Y407-S410 PolarHBondContact O-N 3.47Å; Y407-Y411 PolarHBondContact O-N 3.48Å |
| 408 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 176.2 | -67.5 | 167 | 0 | 0 | 0 | 110.4 | L301 L330 A334 F375 A404 I405 S410 Y411 V412 | L301-I408 HydrophobicContact CD1-CG2 4.41Å; L301-I408 HydrophobicContact CD2-CG2 4.19Å; L330-I408 HydrophobicContact CD1-CG1 4.34Å; L330-I408 HydrophobicContact CD2-CG2 4.46Å; L330-I408 HydrophobicContact CG-CG1 4.38Å; A334-I408 HydrophobicContact CB-CD1 4.13Å; A334-I408 HydrophobicContact CB-CG1 3.95Å; F375-I408 HydrophobicContact CD2-CD1 4.45Å; F375-I408 HydrophobicContact CE2-CG2 4.41Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 2.78Å; I405-I408 PolarHBondContact O-N 2.76Å; I408-S410 PolarHBondContact O-N 3.37Å; I408-Y411 WeakPolarHBondContact O-CB 3.33Å; I408-Y411 PolarHBondContact O-N 3.46Å; I408-Y411 VanDerWaalsContact O-N 3.16Å; I408-V412 HydrophobicContact CG2-CG2 4.26Å; I408-V412 VanDerWaalsContact O-CG2 3.26Å; I408-V412 WeakPolarHBondContact O-CG2 3.29Å; I408-V412 PolarHBondContact O-N 2.71Å |
| 409 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | I169 L206 L210 F212 I405 K406 Y407 Y411 V412 L413 | I169-A409 HydrophobicContact CD1-CB 3.54Å; L206-A409 HydrophobicContact CD1-CB 4.27Å; L206-A409 HydrophobicContact CD2-CB 3.92Å; L210-A409 HydrophobicContact CD1-CB 4.32Å; F212-A409 HydrophobicContact CE1-CB 3.91Å; F212-A409 HydrophobicContact CZ-CB 3.77Å; I405-A409 VanDerWaalsContact O-CB 3.27Å; I405-A409 WeakPolarHBondContact O-CB 3.47Å; I405-A409 PolarHBondContact O-N 3.17Å; K406-A409 PolarHBondContact O-N 3.04Å; Y407-A409 VanDerWaalsContact C-N 3.34Å; Y407-A409 PolarHBondContact O-N 2.89Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; A409-V412 PolarHBondContact O-N 3.19Å; A409-L413 WeakPolarHBondContact O-CB 3.18Å; A409-L413 PolarHBondContact O-N 3.48Å |
| 410 | S | 98.9 | Very high | 98.6 | Very high | 33 Ų | 33 | 37.5 Ų | 37.5 | 23% | 0.231 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 172.8 | -73 | 0 | 0 | 0 | 0 | 111.4 | Q202 K406 Y407 I408 L413 E414 | Q202-S410 PolarHBondContact NE2-OG 2.96Å; K406-S410 WeakPolarHBondContact O-CB 3.39Å; K406-S410 PolarHBondContact O-N 2.87Å; K406-S410 PolarHBondContact O-OG 2.89Å; Y407-S410 PolarHBondContact O-N 3.47Å; I408-S410 PolarHBondContact O-N 3.37Å; S410-L413 WeakPolarHBondContact O-CB 3.48Å; S410-L413 PolarHBondContact O-N 3.03Å; S410-E414 PolarHBondContact O-N 3.09Å |
| 411 | Y | 98.9 | Very high | 98.6 | Very high | 50 Ų | 50 | 39.7 Ų | 39.7 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 176.2 | -172.6 | -89.1 | 0 | 0 | 0 | 111.9 | E326 L330 Y373 Y407 I408 A409 L413 E414 H415 | E326-Y411 HydrophobicContact CG-CE1 4.15Å; E326-Y411 WeakPolarHBondContact CG-OH 3.35Å; E326-Y411 WeakPolarHBondContact OE1-CE1 3.31Å; E326-Y411 PolarHBondContact OE1-OH 3.22Å; E326-Y411 VanDerWaalsContact OE1-OH 3.12Å; L330-Y411 HydrophobicContact CD1-CD1 4.02Å; L330-Y411 HydrophobicContact CD1-CD2 3.94Å; L330-Y411 HydrophobicContact CD1-CG 3.58Å; L330-Y411 HydrophobicContact CD2-CD1 3.56Å; L330-Y411 HydrophobicContact CD2-CE1 4.03Å; L330-Y411 HydrophobicContact CD2-CG 4.02Å; L330-Y411 HydrophobicContact CG-CD1 4.32Å; L330-Y411 HydrophobicContact CG-CG 4.37Å; Y373-Y411 HydrophobicContact CE1-CD1 4.08Å; Y373-Y411 AromaticContact CE1-CE1 3.71Å; Y373-Y411 HydrophobicContact CE1-CE1 3.71Å; Y373-Y411 AromaticContact CZ-CE1 3.99Å; Y407-Y411 PolarHBondContact O-N 3.48Å; I408-Y411 WeakPolarHBondContact O-CB 3.33Å; I408-Y411 PolarHBondContact O-N 3.46Å; I408-Y411 VanDerWaalsContact O-N 3.16Å; A409-Y411 VanDerWaalsContact C-N 3.33Å; Y411-L413 VanDerWaalsContact C-N 3.25Å; Y411-L413 PolarHBondContact O-N 2.94Å; Y411-E414 PolarHBondContact O-N 3.16Å; Y411-H415 AromaticContact CD1-ND1 3.83Å; Y411-H415 AromaticContact CD2-CE1 3.7Å; Y411-H415 AromaticContact CD2-ND1 3.9Å; Y411-H415 HydrophobicContact CE1-CB 4.26Å; Y411-H415 AromaticContact CE1-CG 3.8Å; Y411-H415 AromaticContact CE1-ND1 3.73Å; Y411-H415 AromaticContact CE2-CE1 3.32Å; Y411-H415 WeakPolarHBondContact CE2-CE1 3.23Å; Y411-H415 AromaticContact CE2-ND1 3.79Å; Y411-H415 AromaticContact CE2-NE2 3.7Å; Y411-H415 AromaticContact CG-ND1 3.92Å; Y411-H415 AromaticContact CZ-CD2 3.8Å; Y411-H415 AromaticContact CZ-CE1 3.51Å; Y411-H415 AromaticContact CZ-CG 3.9Å; Y411-H415 AromaticContact CZ-ND1 3.69Å; Y411-H415 AromaticContact CZ-NE2 3.57Å; Y411-H415 PolarHBondContact O-N 3.25Å; Y411-H415 VanDerWaalsContact O-N 3.11Å; Y411-H415 PolarHBondContact O-ND1 2.82Å; Y411-H415 PolarHBondContact OH-NE2 3.32Å |
| 412 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | I169 K298 A299 Y373 I408 A409 E414 H415 L416 | I169-V412 HydrophobicContact CD1-CB 4.33Å; I169-V412 HydrophobicContact CD1-CG1 4.41Å; K298-V412 HydrophobicContact CB-CG1 3.77Å; A299-V412 HydrophobicContact CB-CG1 4.4Å; A299-V412 HydrophobicContact CB-CG2 3.88Å; Y373-V412 HydrophobicContact CD2-CB 4.35Å; Y373-V412 HydrophobicContact CD2-CG1 4.16Å; Y373-V412 HydrophobicContact CD2-CG2 3.63Å; Y373-V412 HydrophobicContact CE2-CG1 4.49Å; Y373-V412 HydrophobicContact CE2-CG2 4.22Å; Y373-V412 HydrophobicContact CG-CG2 3.85Å; I408-V412 HydrophobicContact CG2-CG2 4.26Å; I408-V412 VanDerWaalsContact O-CG2 3.26Å; I408-V412 WeakPolarHBondContact O-CG2 3.29Å; I408-V412 PolarHBondContact O-N 2.71Å; A409-V412 PolarHBondContact O-N 3.19Å; V412-E414 VanDerWaalsContact C-N 3.27Å; V412-E414 PolarHBondContact O-N 2.84Å; V412-H415 CarbonylContact O-C 3.58Å; V412-H415 PolarHBondContact O-N 3.39Å; V412-H415 VanDerWaalsContact O-N 3.14Å; V412-L416 WeakPolarHBondContact O-CD2 3.38Å; V412-L416 PolarHBondContact O-N 3.22Å |
| 413 | L | 98.4 | Very high | 98.6 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -32.6 | 177.7 | -179.4 | 60.5 | 0 | 0 | 0 | 113 | L206 K209 L210 A409 S410 Y411 L416 | L206-L413 HydrophobicContact CD2-CD2 4.24Å; K209-L413 HydrophobicContact CB-CD1 3.63Å; K209-L413 HydrophobicContact CB-CD2 4.13Å; K209-L413 HydrophobicContact CD-CD1 4.04Å; K209-L413 HydrophobicContact CD-CD2 3.68Å; K209-L413 HydrophobicContact CD-CG 4.34Å; K209-L413 HydrophobicContact CG-CD1 4.44Å; L210-L413 HydrophobicContact CD1-CB 4.14Å; L210-L413 HydrophobicContact CG-CD1 4.26Å; A409-L413 WeakPolarHBondContact O-CB 3.18Å; A409-L413 PolarHBondContact O-N 3.48Å; S410-L413 WeakPolarHBondContact O-CB 3.48Å; S410-L413 PolarHBondContact O-N 3.03Å; Y411-L413 VanDerWaalsContact C-N 3.25Å; Y411-L413 PolarHBondContact O-N 2.94Å; L413-L416 HydrophobicContact CD1-CD1 4.37Å |
| 414 | E | 98.5 | Very high | 98.5 | Very high | 153 Ų | 153 | 45.2 Ų | 45.2 | 72% | 0.715 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -81 | -16.7 | 176.1 | -68.1 | 176.9 | 167.2 | 0 | 0 | 112.9 | S410 Y411 V412 | S410-E414 PolarHBondContact O-N 3.09Å; Y411-E414 PolarHBondContact O-N 3.16Å; V412-E414 VanDerWaalsContact C-N 3.27Å; V412-E414 PolarHBondContact O-N 2.84Å |
| 415 | H | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 32% | 0.319 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -126 | 40.6 | -173.1 | -57.3 | 75 | 0 | 0 | 0 | 112.1 | Y373 Y411 V412 | Y373-H415 WeakPolarHBondContact OH-CB 3.26Å; Y411-H415 AromaticContact CD1-ND1 3.83Å; Y411-H415 AromaticContact CD2-CE1 3.7Å; Y411-H415 AromaticContact CD2-ND1 3.9Å; Y411-H415 HydrophobicContact CE1-CB 4.26Å; Y411-H415 AromaticContact CE1-CG 3.8Å; Y411-H415 AromaticContact CE1-ND1 3.73Å; Y411-H415 AromaticContact CE2-CE1 3.32Å; Y411-H415 WeakPolarHBondContact CE2-CE1 3.23Å; Y411-H415 AromaticContact CE2-ND1 3.79Å; Y411-H415 AromaticContact CE2-NE2 3.7Å; Y411-H415 AromaticContact CG-ND1 3.92Å; Y411-H415 AromaticContact CZ-CD2 3.8Å; Y411-H415 AromaticContact CZ-CE1 3.51Å; Y411-H415 AromaticContact CZ-CG 3.9Å; Y411-H415 AromaticContact CZ-ND1 3.69Å; Y411-H415 AromaticContact CZ-NE2 3.57Å; Y411-H415 PolarHBondContact O-N 3.25Å; Y411-H415 VanDerWaalsContact O-N 3.11Å; Y411-H415 PolarHBondContact O-ND1 2.82Å; Y411-H415 PolarHBondContact OH-NE2 3.32Å; V412-H415 CarbonylContact O-C 3.58Å; V412-H415 PolarHBondContact O-N 3.39Å; V412-H415 VanDerWaalsContact O-N 3.14Å |
| 416 | L | 97.9 | Very high | 98.5 | Very high | 84 Ų | 84 | 52.6 Ų | 52.6 | 44% | 0.44 | 24% | 0.242 | S | C | . | . | trans | -62.3 | 149.3 | 175.8 | -64.2 | 174.8 | 0 | 0 | 0 | 111.7 | P167 K298 V412 L413 | P167-L416 HydrophobicContact CB-CD2 3.61Å; P167-L416 HydrophobicContact CG-CD1 3.85Å; P167-L416 HydrophobicContact CG-CD2 3.63Å; P167-L416 HydrophobicContact CG-CG 4.42Å; K298-L416 HydrophobicContact CG-CD2 4.06Å; V412-L416 WeakPolarHBondContact O-CD2 3.38Å; V412-L416 PolarHBondContact O-N 3.22Å; L413-L416 HydrophobicContact CD1-CD1 4.37Å | ||
| 417 | Y | 96.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | trans | -141.4 | 0 | -179 | 62.3 | -87.2 | 0 | 0 | 0 | 113 | K298 G370 I371 R372 Y373 | K298-Y417 HydrophobicContact CB-CE1 4.07Å; K298-Y417 HydrophobicContact CD-CD1 4.33Å; K298-Y417 HydrophobicContact CD-CE1 3.95Å; K298-Y417 HydrophobicContact CD-CE2 4.19Å; K298-Y417 WeakPolarHBondContact CE-O 3.28Å; K298-Y417 PolarHBondContact NZ-O 3.03Å; K298-Y417 PolarHBondContact O-OH 3.28Å; K298-Y417 VanDerWaalsContact O-OH 3.06Å; G370-Y417 PolarHBondContact O-OH 3.31Å; I371-Y417 WeakPolarHBondContact CA-OH 3.19Å; R372-Y417 HydrophobicContact CB-CE1 3.85Å; R372-Y417 HydrophobicContact CG-CD1 4.31Å; R372-Y417 HydrophobicContact CG-CD2 4.44Å; R372-Y417 HydrophobicContact CG-CE1 3.88Å; R372-Y417 HydrophobicContact CG-CE2 4Å; R372-Y417 PolarHBondContact N-OH 2.76Å; Y373-Y417 HydrophobicContact CD2-CE1 4.23Å; Y373-Y417 HydrophobicContact CE2-CD1 4.37Å; Y373-Y417 HydrophobicContact CE2-CE1 4.08Å |
Retrieved 417 of 417 residues in 545.3 ms
(Link to these results)