| 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 | 32.8 | Very low | 53.1 | Low | 240 Ų | 240 | 165.8 Ų | 165.8 | 100% | 1.182 | 79% | 0.791 | S | S | * | * | 0 | 125.4 | 0 | -69.7 | 171.5 | 177.5 | 0 | 0 | 108.7 | |||||
| 2 | A | 36.1 | Very low | 55.1 | Low | 101 Ų | 101 | 165.3 Ų | 165.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -75.7 | 125 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R4 | A2-R4 PolarHBondContact O-N 3.49Š| ||
| 3 | F | 37.1 | Very low | 57.2 | Low | 209 Ų | 209 | 169.1 Ų | 169.1 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -68.2 | 86.1 | 168 | -103.1 | -90.9 | 0 | 0 | 0 | 109.1 | R5 | F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.22Å | ||
| 4 | R | 41.3 | Very low | 59.4 | Low | 236 Ų | 236 | 159.2 Ų | 159.2 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 96.3 | 168.2 | -164 | 177.9 | -168 | -178.7 | 3.8 | 106.6 | A2 R6 | A2-R4 PolarHBondContact O-N 3.49Å; R4-R6 PolarHBondContact O-N 3.14Å | ||
| 5 | R | 43.3 | Very low | 61.5 | Low | 228 Ų | 228 | 155.7 Ų | 155.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -53 | 108.1 | 172.4 | -87.7 | -175 | 173.8 | 178.8 | -1.2 | 107 | F3 N7 | F3-R5 VanDerWaalsContact C-N 3.33Å; F3-R5 PolarHBondContact O-N 3.22Å; R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | R | 44.2 | Very low | 63.2 | Low | 238 Ų | 238 | 150.3 Ų | 150.3 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | -62.6 | 110.4 | 171.9 | -174.4 | 175.8 | 179.5 | -179.9 | -0.7 | 105.9 | R4 K8 | R4-R6 PolarHBondContact O-N 3.14Å; R6-K8 PolarHBondContact O-N 3.07Å | ||
| 7 | N | 52.1 | Low | 64.7 | Low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | trans | -54.4 | 113.1 | 174.6 | -80.1 | 0.3 | 0 | 0 | 0 | 107.2 | R5 S9 | R5-N7 PolarHBondContact O-N 2.96Å; R5-N7 VanDerWaalsContact O-N 3.07Å; N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | K | 60.2 | Low | 66.1 | Low | 149 Ų | 149 | 140.4 Ų | 140.4 | 65% | 0.648 | 67% | 0.666 | S | S | * | * | trans | -69.3 | 111.3 | 172.4 | -77 | -174.4 | 173.1 | -172.7 | 0 | 106.1 | R6 Y10 | R6-K8 PolarHBondContact O-N 3.07Å; K8-Y10 HydrophobicContact CB-CD2 4.49Å; K8-Y10 HydrophobicContact CB-CE1 4.22Å; K8-Y10 HydrophobicContact CB-CE2 3.98Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 WeakPolarHBondContact O-CD2 3.39Å; K8-Y10 PolarHBondContact O-N 2.9Å | ||
| 9 | S | 71.9 | Confident | 67.3 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | trans | -65.6 | 114.4 | 163.9 | 179.9 | 0 | 0 | 0 | 0 | 107.1 | N7 | N7-S9 PolarHBondContact O-N 2.88Å; N7-S9 VanDerWaalsContact O-N 3.14Å | ||
| 10 | Y | 79.4 | Confident | 68.4 | Low | 66 Ų | 66 | 132.8 Ų | 132.8 | 26% | 0.259 | 63% | 0.63 | S | S | . | * | trans | -95.4 | 140.7 | 171.7 | -66.9 | -69.3 | 0 | 0 | 0 | 108.6 | K8 F12 E16 | K8-Y10 HydrophobicContact CB-CD2 4.49Å; K8-Y10 HydrophobicContact CB-CE1 4.22Å; K8-Y10 HydrophobicContact CB-CE2 3.98Å; K8-Y10 HydrophobicContact CD-CE1 4.3Å; K8-Y10 WeakPolarHBondContact O-CD2 3.39Å; K8-Y10 PolarHBondContact O-N 2.9Å; Y10-F12 PolarHBondContact O-N 3.12Å; Y10-E16 HydrophobicContact CD1-CB 3.51Å; Y10-E16 HydrophobicContact CD1-CG 4.22Å; Y10-E16 HydrophobicContact CD2-CB 4.14Å; Y10-E16 HydrophobicContact CE1-CB 3.67Å; Y10-E16 HydrophobicContact CE1-CG 4.02Å; Y10-E16 HydrophobicContact CE2-CB 4.27Å; Y10-E16 HydrophobicContact CG-CB 3.77Å | ||
| 11 | P | 85.9 | Confident | 69.5 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | trans | -57.1 | 139.3 | 174.8 | -23.3 | 33.3 | 0 | 0 | 0 | 111.2 | F13 S14 F17 | P11-F13 PolarHBondContact O-N 3.21Å; P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.49Å; P11-S14 PolarHBondContact O-N 3.06Å; P11-S14 PolarHBondContact O-OG 2.84Å; P11-F17 WeakPolarHBondContact O-CB 3.45Å | ||
| 12 | F | 77.4 | Confident | 72.4 | Confident | 159 Ų | 159 | 118.2 Ų | 118.2 | 70% | 0.697 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -33.7 | -173.5 | -74.9 | -78.2 | 0 | 0 | 0 | 114.8 | Y10 F17 | Y10-F12 PolarHBondContact O-N 3.12Å; F12-F17 HydrophobicContact CD1-CD2 4.4Å; F12-F17 AromaticContact CD1-CE1 3.97Å; F12-F17 HydrophobicContact CD1-CE1 3.97Å; F12-F17 AromaticContact CD1-CE2 3.68Å; F12-F17 HydrophobicContact CD1-CE2 3.68Å; F12-F17 AromaticContact CD1-CZ 3.45Å; F12-F17 HydrophobicContact CD1-CZ 3.45Å; F12-F17 VanDerWaalsContact CD1-CZ 3.45Å; F12-F17 AromaticContact CE1-CE2 3.94Å; F12-F17 HydrophobicContact CE1-CE2 3.94Å; F12-F17 AromaticContact CE1-CZ 3.83Å; F12-F17 HydrophobicContact CE1-CZ 3.83Å; F12-F17 WeakPolarHBondContact O-CD1 3.08Å |
| 13 | F | 81.8 | Confident | 75.1 | Confident | 215 Ų | 215 | 114.3 Ų | 114.3 | 94% | 0.943 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 12.1 | 178.8 | -58.7 | -65.7 | 0 | 0 | 0 | 114.2 | P11 | P11-F13 PolarHBondContact O-N 3.21Š|
| 14 | S | 88.4 | Confident | 77.8 | Confident | 31 Ų | 31 | 109.1 Ų | 109.1 | 22% | 0.217 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -81.9 | 147.1 | 175.6 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | P11 E16 F17 L18 | P11-S14 VanDerWaalsContact O-CB 3.27Å; P11-S14 WeakPolarHBondContact O-CB 3.49Å; P11-S14 PolarHBondContact O-N 3.06Å; P11-S14 PolarHBondContact O-OG 2.84Å; S14-E16 PolarHBondContact O-N 2.86Å; S14-F17 WeakPolarHBondContact O-CB 3.27Å; S14-F17 PolarHBondContact O-N 3.06Å; S14-F17 WeakPolarHBondContact OG-CB 3.28Å; S14-F17 PolarHBondContact OG-N 3.13Å; S14-L18 PolarHBondContact O-N 2.69Å; S14-L18 VanDerWaalsContact O-N 3.12Å |
| 15 | Q | 90 | Very high | 80.4 | Confident | 107 Ų | 107 | 101.2 Ų | 101.2 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -52.7 | -38.1 | 172.6 | 168.2 | 169 | 6.6 | 0 | 0 | 112.5 | L18 I19 Y179 | Q15-L18 PolarHBondContact O-N 3.43Å; Q15-I19 HydrophobicContact CG-CD1 3.68Å; Q15-I19 HydrophobicContact CG-CG1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.29Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.27Å; Q15-I19 PolarHBondContact O-N 2.98Å; Q15-Y179 VanDerWaalsContact CG-OH 3.28Å; Q15-Y179 WeakPolarHBondContact CG-OH 3.19Å; Q15-Y179 PolarHBondContact NE2-OH 3.22Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.13Å |
| 16 | E | 88.6 | Confident | 82.8 | Confident | 69 Ų | 69 | 91 Ų | 91 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 178.9 | -64.5 | -62.9 | 151.2 | 0 | 0 | 112.4 | Y10 S14 Q20 K182 | Y10-E16 HydrophobicContact CD1-CB 3.51Å; Y10-E16 HydrophobicContact CD1-CG 4.22Å; Y10-E16 HydrophobicContact CD2-CB 4.14Å; Y10-E16 HydrophobicContact CE1-CB 3.67Å; Y10-E16 HydrophobicContact CE1-CG 4.02Å; Y10-E16 HydrophobicContact CE2-CB 4.27Å; Y10-E16 HydrophobicContact CG-CB 3.77Å; S14-E16 PolarHBondContact O-N 2.86Å; E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.44Å; E16-Q20 PolarHBondContact O-N 3.46Å; E16-K182 IonicContact OE1-NZ 2.88Å; E16-K182 PolarHBondContact OE1-NZ 2.67Å; E16-K182 IonicContact OE2-NZ 2.89Å; E16-K182 PolarHBondContact OE2-NZ 2.64Å |
| 17 | F | 89.8 | Confident | 85.3 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 18% | 0.184 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 173.4 | -179.2 | -86.8 | 0 | 0 | 0 | 111.4 | P11 F12 S14 I19 Q20 N21 I25 | P11-F17 WeakPolarHBondContact O-CB 3.45Å; F12-F17 HydrophobicContact CD1-CD2 4.4Å; F12-F17 AromaticContact CD1-CE1 3.97Å; F12-F17 HydrophobicContact CD1-CE1 3.97Å; F12-F17 AromaticContact CD1-CE2 3.68Å; F12-F17 HydrophobicContact CD1-CE2 3.68Å; F12-F17 AromaticContact CD1-CZ 3.45Å; F12-F17 HydrophobicContact CD1-CZ 3.45Å; F12-F17 VanDerWaalsContact CD1-CZ 3.45Å; F12-F17 AromaticContact CE1-CE2 3.94Å; F12-F17 HydrophobicContact CE1-CE2 3.94Å; F12-F17 AromaticContact CE1-CZ 3.83Å; F12-F17 HydrophobicContact CE1-CZ 3.83Å; F12-F17 WeakPolarHBondContact O-CD1 3.08Å; S14-F17 WeakPolarHBondContact O-CB 3.27Å; S14-F17 PolarHBondContact O-N 3.06Å; S14-F17 WeakPolarHBondContact OG-CB 3.28Å; S14-F17 PolarHBondContact OG-N 3.13Å; F17-I19 PolarHBondContact O-N 2.8Å; F17-Q20 PolarHBondContact O-N 3Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE1-CB 4.42Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.45Å; F17-N21 HydrophobicContact CZ-CB 4.42Å; F17-N21 PolarHBondContact O-N 3.46Å; F17-N21 PolarHBondContact O-ND2 2.98Å; F17-I25 HydrophobicContact CE1-CD1 4.39Å |
| 18 | L | 89.1 | Confident | 87.4 | Confident | 81 Ų | 81 | 81.3 Ų | 81.3 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 178.9 | -173.6 | 151.8 | 0 | 0 | 0 | 111.2 | S14 Q15 Q20 N21 H22 F180 | S14-L18 PolarHBondContact O-N 2.69Å; S14-L18 VanDerWaalsContact O-N 3.12Å; Q15-L18 PolarHBondContact O-N 3.43Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.5Å; L18-N21 PolarHBondContact O-N 3.3Å; L18-H22 WeakPolarHBondContact O-CA 3.35Å; L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-N 2.98Å; L18-F180 HydrophobicContact CD2-CD1 4.47Å; L18-F180 HydrophobicContact CD2-CE1 3.74Å |
| 19 | I | 89.9 | Confident | 89.1 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 178 | -69.4 | 171.7 | 0 | 0 | 0 | 111.5 | Q15 F17 H22 Y179 F180 K182 | Q15-I19 HydrophobicContact CG-CD1 3.68Å; Q15-I19 HydrophobicContact CG-CG1 4.42Å; Q15-I19 WeakPolarHBondContact O-CB 3.29Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.27Å; Q15-I19 PolarHBondContact O-N 2.98Å; F17-I19 PolarHBondContact O-N 2.8Å; I19-H22 PolarHBondContact O-ND1 3.03Å; I19-Y179 HydrophobicContact CD1-CD1 4.36Å; I19-Y179 HydrophobicContact CD1-CE1 3.87Å; I19-Y179 HydrophobicContact CG1-CD1 4.26Å; I19-Y179 HydrophobicContact CG1-CE1 3.81Å; I19-F180 HydrophobicContact CG1-CD1 4.35Å; I19-F180 VanDerWaalsContact CG2-O 3.27Å; I19-F180 WeakPolarHBondContact CG2-O 3.28Å; I19-K182 HydrophobicContact CD1-CG 4.41Å |
| 20 | Q | 88.4 | Confident | 90.3 | Very high | 111 Ų | 111 | 72.6 Ų | 72.6 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.5 | -36.7 | -179.6 | -177.2 | 172.7 | -22.3 | 0 | 0 | 113.2 | E16 F17 L18 | E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.44Å; E16-Q20 PolarHBondContact O-N 3.46Å; F17-Q20 PolarHBondContact O-N 3Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.5Å |
| 21 | N | 91.9 | Very high | 91.1 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -109.2 | 15 | -172.4 | -51.1 | -88.3 | 0 | 0 | 0 | 113 | F17 L18 A23 D24 I25 | F17-N21 WeakPolarHBondContact CD2-ND2 3.41Å; F17-N21 HydrophobicContact CE1-CB 4.42Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.45Å; F17-N21 HydrophobicContact CZ-CB 4.42Å; F17-N21 PolarHBondContact O-N 3.46Å; F17-N21 PolarHBondContact O-ND2 2.98Å; L18-N21 PolarHBondContact O-N 3.3Å; N21-A23 PolarHBondContact O-N 3.46Å; N21-D24 PolarHBondContact O-N 3.4Å; N21-D24 VanDerWaalsContact O-N 3.11Å; N21-I25 HydrophobicContact CB-CD1 4.28Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.21Å; N21-I25 PolarHBondContact O-N 2.74Å |
| 22 | H | 93.6 | Very high | 91.6 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 13% | 0.13 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.4 | -40.1 | -175.3 | 67.3 | -84.7 | 0 | 0 | 0 | 112.5 | L18 I19 I25 V26 F180 | L18-H22 WeakPolarHBondContact O-CA 3.35Å; L18-H22 WeakPolarHBondContact O-CB 3.39Å; L18-H22 PolarHBondContact O-N 2.98Å; I19-H22 PolarHBondContact O-ND1 3.03Å; H22-I25 PolarHBondContact O-N 3.09Å; H22-V26 WeakPolarHBondContact O-CB 3.33Å; H22-V26 VanDerWaalsContact O-CG2 3.23Å; H22-V26 WeakPolarHBondContact O-CG2 3.26Å; H22-V26 PolarHBondContact O-N 3.43Å; H22-F180 HydrophobicContact CB-CD1 4.27Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.05Å; H22-F180 HydrophobicContact CB-CE2 4.09Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 3.95Å; H22-F180 AromaticContact CD2-CD2 3.72Å; H22-F180 AromaticContact CD2-CE2 3.92Å; H22-F180 AromaticContact CG-CD2 3.91Å |
| 23 | A | 93.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 69 Ų | 69 | 16% | 0.157 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N21 V26 F27 A90 | N21-A23 PolarHBondContact O-N 3.46Å; A23-V26 PolarHBondContact O-N 3.47Å; A23-F27 WeakPolarHBondContact O-CB 3.31Å; A23-F27 PolarHBondContact O-N 2.99Å; A23-A90 HydrophobicContact CB-CB 3.47Å; A23-A90 VanDerWaalsContact CB-CB 3.47Å |
| 24 | D | 94.3 | Very high | 93 | Very high | 100 Ų | 100 | 62 Ų | 62 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 179.4 | -59.4 | -46.8 | 0 | 0 | 0 | 112.3 | N21 S28 | N21-D24 PolarHBondContact O-N 3.4Å; N21-D24 VanDerWaalsContact O-N 3.11Å; D24-S28 WeakPolarHBondContact O-CB 3.23Å; D24-S28 PolarHBondContact O-N 2.79Å; D24-S28 PolarHBondContact O-OG 2.91Å |
| 25 | I | 94.2 | Very high | 93.4 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 175.3 | -66.4 | 164.7 | 0 | 0 | 0 | 109.6 | F17 N21 H22 S28 L29 | F17-I25 HydrophobicContact CE1-CD1 4.39Å; N21-I25 HydrophobicContact CB-CD1 4.28Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.21Å; N21-I25 PolarHBondContact O-N 2.74Å; H22-I25 PolarHBondContact O-N 3.09Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 3.29Å; I25-L29 PolarHBondContact O-N 3.29Å |
| 26 | V | 95.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.085 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | 179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | H22 A23 S28 L29 V30 F83 I86 I87 | H22-V26 WeakPolarHBondContact O-CB 3.33Å; H22-V26 VanDerWaalsContact O-CG2 3.23Å; H22-V26 WeakPolarHBondContact O-CG2 3.26Å; H22-V26 PolarHBondContact O-N 3.43Å; A23-V26 PolarHBondContact O-N 3.47Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.97Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.29Å; V26-V30 PolarHBondContact O-N 3.49Å; V26-F83 HydrophobicContact CG1-CB 3.48Å; V26-F83 VanDerWaalsContact CG1-CB 3.48Å; V26-F83 HydrophobicContact CG1-CD1 3.76Å; V26-F83 HydrophobicContact CG1-CG 3.92Å; V26-F83 WeakPolarHBondContact CG1-O 3.42Å; V26-I86 HydrophobicContact CB-CG2 4.35Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CG2 4.34Å; V26-I86 HydrophobicContact CG2-CD1 4.44Å; V26-I86 HydrophobicContact CG2-CG2 4.22Å; V26-I87 HydrophobicContact CB-CG1 4.47Å; V26-I87 HydrophobicContact CG1-CD1 4.18Å; V26-I87 HydrophobicContact CG1-CG1 4.08Å |
| 27 | F | 96.2 | Very high | 93.8 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 45% | 0.452 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 171 | 179.8 | -100.9 | 0 | 0 | 0 | 112 | A23 L29 V30 I31 I87 | A23-F27 WeakPolarHBondContact O-CB 3.31Å; A23-F27 PolarHBondContact O-N 2.99Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.18Å; F27-V30 PolarHBondContact O-N 2.95Å; F27-I31 HydrophobicContact CD1-CG1 4.05Å; F27-I31 HydrophobicContact CD2-CG1 4.43Å; F27-I31 HydrophobicContact CE1-CD1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 3.65Å; F27-I31 HydrophobicContact CE2-CD1 4.1Å; F27-I31 HydrophobicContact CE2-CG1 4.07Å; F27-I31 HydrophobicContact CG-CG1 4.42Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.66Å; F27-I31 VanDerWaalsContact O-CG1 3.32Å; F27-I31 WeakPolarHBondContact O-CG1 3.42Å; F27-I31 PolarHBondContact O-N 3.2Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.25Å; F27-I87 HydrophobicContact CD2-CD1 4.26Å; F27-I87 HydrophobicContact CD2-CG2 4.49Å |
| 28 | S | 96.1 | Very high | 94 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 175 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | D24 I25 V26 I31 F32 | D24-S28 WeakPolarHBondContact O-CB 3.23Å; D24-S28 PolarHBondContact O-N 2.79Å; D24-S28 PolarHBondContact O-OG 2.91Å; I25-S28 WeakPolarHBondContact O-CB 3.35Å; I25-S28 PolarHBondContact O-N 3.29Å; V26-S28 VanDerWaalsContact C-N 3.33Å; V26-S28 PolarHBondContact O-N 2.97Å; S28-I31 PolarHBondContact O-N 2.94Å; S28-F32 WeakPolarHBondContact O-CB 3.05Å; S28-F32 PolarHBondContact O-N 3.04Å |
| 29 | L | 95.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 42% | 0.419 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 174.5 | -64.6 | 174.1 | 0 | 0 | 0 | 112.4 | I25 V26 F27 F32 I33 | I25-L29 PolarHBondContact O-N 3.29Å; V26-L29 WeakPolarHBondContact O-CB 3.31Å; V26-L29 PolarHBondContact O-N 3.29Å; F27-L29 VanDerWaalsContact C-N 3.3Å; F27-L29 PolarHBondContact O-N 3.18Å; L29-F32 PolarHBondContact O-N 2.94Å; L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-I33 VanDerWaalsContact O-N 3.12Å |
| 30 | V | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 74.9 Ų | 74.9 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | V26 F27 F32 I33 L34 F80 F83 I84 I87 | V26-V30 PolarHBondContact O-N 3.49Å; F27-V30 PolarHBondContact O-N 2.95Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.04Å; V30-I33 PolarHBondContact O-N 3.12Å; V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CG 3.37Å; V30-L34 PolarHBondContact O-N 2.83Å; V30-F80 HydrophobicContact CG1-CE2 4.11Å; V30-F80 HydrophobicContact CG1-CZ 4.16Å; V30-F83 HydrophobicContact CG2-CB 3.62Å; V30-I84 HydrophobicContact CG1-CD1 3.67Å; V30-I84 HydrophobicContact CG2-CD1 4.02Å; V30-I87 HydrophobicContact CB-CD1 4.26Å; V30-I87 HydrophobicContact CG2-CD1 3.75Å |
| 31 | I | 96.7 | Very high | 94.5 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 32% | 0.318 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 177.6 | -66.3 | -71.3 | 0 | 0 | 0 | 111.2 | F27 S28 I33 L34 I35 | F27-I31 HydrophobicContact CD1-CG1 4.05Å; F27-I31 HydrophobicContact CD2-CG1 4.43Å; F27-I31 HydrophobicContact CE1-CD1 4.15Å; F27-I31 HydrophobicContact CE1-CG1 3.65Å; F27-I31 HydrophobicContact CE2-CD1 4.1Å; F27-I31 HydrophobicContact CE2-CG1 4.07Å; F27-I31 HydrophobicContact CG-CG1 4.42Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.66Å; F27-I31 VanDerWaalsContact O-CG1 3.32Å; F27-I31 WeakPolarHBondContact O-CG1 3.42Å; F27-I31 PolarHBondContact O-N 3.2Å; S28-I31 PolarHBondContact O-N 2.94Å; I31-I33 PolarHBondContact O-N 2.99Å; I31-L34 HydrophobicContact CD1-CD1 4.39Å; I31-L34 PolarHBondContact O-N 3.36Å; I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.29Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.11Å |
| 32 | F | 95.6 | Very high | 94.7 | Very high | 156 Ų | 156 | 75.2 Ų | 75.2 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.7 | -44.3 | 173.4 | 178.6 | -100.6 | 0 | 0 | 0 | 112.4 | S28 L29 V30 I35 G36 | S28-F32 WeakPolarHBondContact O-CB 3.05Å; S28-F32 PolarHBondContact O-N 3.04Å; L29-F32 PolarHBondContact O-N 2.94Å; V30-F32 VanDerWaalsContact C-N 3.31Å; V30-F32 PolarHBondContact O-N 3.04Å; F32-I35 PolarHBondContact O-N 3.18Å; F32-G36 PolarHBondContact O-N 3.12Å; F32-G36 VanDerWaalsContact O-N 3.09Å |
| 33 | I | 94.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 74.7 Ų | 74.7 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.5 | -65.2 | 168.6 | 0 | 0 | 0 | 111.1 | L29 V30 I31 G36 A46 F49 I50 F80 | L29-I33 WeakPolarHBondContact O-CG1 3.43Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-I33 VanDerWaalsContact O-N 3.12Å; V30-I33 PolarHBondContact O-N 3.12Å; I31-I33 PolarHBondContact O-N 2.99Å; I33-G36 WeakPolarHBondContact O-CA 3.45Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.13Å; I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.39Å; I33-F49 HydrophobicContact CG2-CB 4.12Å; I33-I50 HydrophobicContact CG2-CD1 4.32Å; I33-I50 HydrophobicContact CG2-CG1 4.44Å; I33-F80 HydrophobicContact CB-CD2 4.48Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.93Å; I33-F80 HydrophobicContact CD1-CE2 4.37Å; I33-F80 HydrophobicContact CG2-CD2 4.02Å; I33-F80 HydrophobicContact CG2-CE2 3.87Å |
| 34 | L | 95.2 | Very high | 94.6 | Very high | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.356 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.4 | -39.7 | 178.1 | -68.3 | 173.7 | 0 | 0 | 0 | 112.7 | V30 I31 G36 L37 I50 F80 | V30-L34 HydrophobicContact CG1-CD1 3.95Å; V30-L34 HydrophobicContact CG1-CG 4.39Å; V30-L34 WeakPolarHBondContact O-CG 3.37Å; V30-L34 PolarHBondContact O-N 2.83Å; I31-L34 HydrophobicContact CD1-CD1 4.39Å; I31-L34 PolarHBondContact O-N 3.36Å; L34-G36 PolarHBondContact O-N 3.18Å; L34-L37 HydrophobicContact CD2-CD1 4.33Å; L34-L37 VanDerWaalsContact O-CB 3.31Å; L34-L37 WeakPolarHBondContact O-CB 3.47Å; L34-L37 PolarHBondContact O-N 3.18Å; L34-I50 HydrophobicContact CD2-CD1 3.82Å; L34-F80 HydrophobicContact CD2-CZ 4.33Å |
| 35 | I | 95.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 81.3 Ų | 81.3 | 41% | 0.41 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.8 | -32.5 | 170.8 | -70.5 | 167.4 | 0 | 0 | 0 | 110.4 | I31 F32 L37 M38 F39 | I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.29Å; I31-I35 WeakPolarHBondContact O-CB 3.42Å; I31-I35 VanDerWaalsContact O-CG1 3.3Å; I31-I35 WeakPolarHBondContact O-CG1 3.44Å; I31-I35 PolarHBondContact O-N 3.11Å; F32-I35 PolarHBondContact O-N 3.18Å; I35-L37 PolarHBondContact O-N 2.85Å; I35-L37 VanDerWaalsContact O-N 3.13Å; I35-M38 WeakPolarHBondContact O-CB 3.46Å; I35-M38 PolarHBondContact O-N 2.65Å; I35-F39 HydrophobicContact CG2-CE2 3.92Å |
| 36 | G | 92.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 13% | 0.134 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -56.9 | -21.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F32 I33 L34 M38 T42 A43 | F32-G36 PolarHBondContact O-N 3.12Å; F32-G36 VanDerWaalsContact O-N 3.09Å; I33-G36 WeakPolarHBondContact O-CA 3.45Å; I33-G36 PolarHBondContact O-N 3.37Å; I33-G36 VanDerWaalsContact O-N 3.13Å; L34-G36 PolarHBondContact O-N 3.18Å; G36-M38 VanDerWaalsContact C-N 3.34Å; G36-T42 CarbonylContact O-C 3.25Å; G36-T42 WeakPolarHBondContact O-CB 3.43Å; G36-T42 PolarHBondContact O-OG1 3.01Å; G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.44Å; G36-A43 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 93.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 80.7 Ų | 80.7 | 38% | 0.382 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -74.2 | -22 | 171.7 | -66.3 | 173.3 | 0 | 0 | 0 | 113.6 | L34 I35 F39 A46 I47 I50 | L34-L37 HydrophobicContact CD2-CD1 4.33Å; L34-L37 VanDerWaalsContact O-CB 3.31Å; L34-L37 WeakPolarHBondContact O-CB 3.47Å; L34-L37 PolarHBondContact O-N 3.18Å; I35-L37 PolarHBondContact O-N 2.85Å; I35-L37 VanDerWaalsContact O-N 3.13Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.5Å; L37-A46 HydrophobicContact CD2-CB 3.72Å; L37-A46 HydrophobicContact CG-CB 3.98Å; L37-I47 HydrophobicContact CD2-CG1 3.76Å; L37-I50 HydrophobicContact CD1-CD1 3.6Å; L37-I50 HydrophobicContact CD2-CD1 4.11Å; L37-I50 HydrophobicContact CG-CD1 3.94Å |
| 38 | M | 94.7 | Very high | 94.3 | Very high | 152 Ų | 152 | 78 Ų | 78 | 75% | 0.749 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -76.6 | -14.9 | -174.7 | -59.2 | -177 | 67 | 0 | 0 | 113.4 | I35 G36 | I35-M38 WeakPolarHBondContact O-CB 3.46Å; I35-M38 PolarHBondContact O-N 2.65Å; G36-M38 VanDerWaalsContact C-N 3.34Å |
| 39 | F | 94.6 | Very high | 94.2 | Very high | 128 Ų | 128 | 76.8 Ų | 76.8 | 56% | 0.561 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -117.8 | 127.8 | 180 | -52.4 | -88.7 | 0 | 0 | 0 | 110.4 | I35 L37 A41 T42 A43 | I35-F39 HydrophobicContact CG2-CE2 3.92Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.5Å; F39-A41 PolarHBondContact O-N 2.93Å; F39-A41 VanDerWaalsContact O-N 3.16Å; F39-T42 PolarHBondContact O-N 2.77Å; F39-T42 PolarHBondContact O-OG1 3.46Å; F39-A43 WeakPolarHBondContact O-CB 3.42Å; F39-A43 PolarHBondContact O-N 3.28Å |
| 40 | E | 91.8 | Very high | 94.2 | Very high | 170 Ų | 170 | 74.4 Ų | 74.4 | 79% | 0.794 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -53.7 | -39.4 | -176.7 | -171.8 | -177.3 | 172 | 0 | 0 | 113.1 | T42 | E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.88Å |
| 41 | A | 92.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 79.5 Ų | 79.5 | 79% | 0.785 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64 | -33.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F39 | F39-A41 PolarHBondContact O-N 2.93Å; F39-A41 VanDerWaalsContact O-N 3.16Å |
| 42 | T | 94.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 76.9 Ų | 76.9 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -100.3 | -18.8 | -178.6 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | G36 F39 E40 K44 T45 A46 | G36-T42 CarbonylContact O-C 3.25Å; G36-T42 WeakPolarHBondContact O-CB 3.43Å; G36-T42 PolarHBondContact O-OG1 3.01Å; F39-T42 PolarHBondContact O-N 2.77Å; F39-T42 PolarHBondContact O-OG1 3.46Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 2.88Å; T42-K44 VanDerWaalsContact C-N 3.31Å; T42-K44 PolarHBondContact O-N 3.11Å; T42-T45 WeakPolarHBondContact O-CA 3.45Å; T42-T45 WeakPolarHBondContact O-CB 3.46Å; T42-T45 PolarHBondContact O-N 3.18Å; T42-A46 PolarHBondContact O-N 2.8Å |
| 43 | A | 93.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 70.7 Ų | 70.7 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G36 F39 T45 A46 I47 | G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.44Å; G36-A43 VanDerWaalsContact O-N 3.07Å; F39-A43 WeakPolarHBondContact O-CB 3.42Å; F39-A43 PolarHBondContact O-N 3.28Å; A43-T45 VanDerWaalsContact C-N 3.25Å; A43-T45 PolarHBondContact O-N 3.2Å; A43-A46 PolarHBondContact O-N 3.35Å; A43-A46 VanDerWaalsContact O-N 3.17Å; A43-I47 WeakPolarHBondContact O-CD1 3.19Å; A43-I47 VanDerWaalsContact O-CG1 3.24Å; A43-I47 WeakPolarHBondContact O-CG1 3.45Å; A43-I47 PolarHBondContact O-N 3.22Å |
| 44 | K | 91.8 | Very high | 93.8 | Very high | 171 Ų | 171 | 72.6 Ų | 72.6 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58 | -37.4 | 176.2 | -67.1 | 178 | -178 | 172.1 | 0 | 112.5 | T42 | T42-K44 VanDerWaalsContact C-N 3.31Å; T42-K44 PolarHBondContact O-N 3.11Å |
| 45 | T | 93.4 | Very high | 93.7 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -76.4 | -39.8 | 176.5 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | T42 A43 L48 F49 | T42-T45 WeakPolarHBondContact O-CA 3.45Å; T42-T45 WeakPolarHBondContact O-CB 3.46Å; T42-T45 PolarHBondContact O-N 3.18Å; A43-T45 VanDerWaalsContact C-N 3.25Å; A43-T45 PolarHBondContact O-N 3.2Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 2.91Å; T45-F49 HydrophobicContact CG2-CE2 4.39Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å |
| 46 | A | 93.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 73.1 Ų | 73.1 | 5% | 0.05 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I33 L37 T42 A43 L48 F49 I50 | I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.39Å; L37-A46 HydrophobicContact CD2-CB 3.72Å; L37-A46 HydrophobicContact CG-CB 3.98Å; T42-A46 PolarHBondContact O-N 2.8Å; A43-A46 PolarHBondContact O-N 3.35Å; A43-A46 VanDerWaalsContact O-N 3.17Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.49Å; A46-F49 WeakPolarHBondContact O-CB 3.33Å; A46-F49 PolarHBondContact O-N 2.79Å; A46-F49 VanDerWaalsContact O-N 3.11Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.38Å |
| 47 | I | 93.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 75.4 Ų | 75.4 | 34% | 0.338 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.9 | -34.6 | 178.1 | -70.7 | 164.5 | 0 | 0 | 0 | 112.2 | L37 A43 F49 I50 Q51 | L37-I47 HydrophobicContact CD2-CG1 3.76Å; A43-I47 WeakPolarHBondContact O-CD1 3.19Å; A43-I47 VanDerWaalsContact O-CG1 3.24Å; A43-I47 WeakPolarHBondContact O-CG1 3.45Å; A43-I47 PolarHBondContact O-N 3.22Å; I47-F49 PolarHBondContact O-N 3.37Å; I47-I50 PolarHBondContact O-N 2.81Å; I47-I50 VanDerWaalsContact O-N 3.12Å; I47-Q51 HydrophobicContact CG2-CB 4.46Å; I47-Q51 HydrophobicContact CG2-CG 4.47Å; I47-Q51 PolarHBondContact O-N 3.15Å |
| 48 | L | 93.1 | Very high | 92.5 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.2 | -35.3 | 175.1 | 179.8 | 63.1 | 0 | 0 | 0 | 112.8 | T45 A46 Q53 R73 A76 T77 | T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 2.91Å; A46-L48 VanDerWaalsContact C-N 3.27Å; A46-L48 PolarHBondContact O-N 3.49Å; L48-Q53 HydrophobicContact CD1-CG 4.02Å; L48-R73 HydrophobicContact CD1-CB 3.88Å; L48-R73 HydrophobicContact CD1-CG 4.11Å; L48-A76 HydrophobicContact CD1-CB 4.38Å; L48-A76 HydrophobicContact CD2-CB 4.32Å; L48-A76 HydrophobicContact CG-CB 3.81Å; L48-T77 PolarHBondContact O-OG1 3.22Å |
| 49 | F | 94.6 | Very high | 91.8 | Very high | 51 Ų | 51 | 76.2 Ų | 76.2 | 22% | 0.224 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -82.3 | -32.1 | 178.5 | -73.1 | -81.4 | 0 | 0 | 0 | 112.7 | I33 T45 A46 I47 A76 T77 L79 F80 | I33-F49 HydrophobicContact CG2-CB 4.12Å; T45-F49 HydrophobicContact CG2-CE2 4.39Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.47Å; A46-F49 WeakPolarHBondContact O-CB 3.33Å; A46-F49 PolarHBondContact O-N 2.79Å; A46-F49 VanDerWaalsContact O-N 3.11Å; I47-F49 PolarHBondContact O-N 3.37Å; F49-A76 HydrophobicContact CD1-CB 4.01Å; F49-A76 VanDerWaalsContact CD1-O 3.29Å; F49-A76 WeakPolarHBondContact CD1-O 3.37Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.48Å; F49-A76 HydrophobicContact CZ-CB 4.48Å; F49-T77 WeakPolarHBondContact O-CA 3.27Å; F49-L79 HydrophobicContact CE1-CD2 4.38Å; F49-F80 HydrophobicContact CB-CB 3.92Å; F49-F80 HydrophobicContact CB-CD2 4.13Å; F49-F80 HydrophobicContact CB-CG 4.16Å; F49-F80 HydrophobicContact CD1-CB 4.35Å; F49-F80 WeakPolarHBondContact O-CB 3.26Å; F49-F80 WeakPolarHBondContact O-CG 3.39Å |
| 50 | I | 94.8 | Very high | 90.8 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 15% | 0.154 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -94.1 | -37.1 | -166.7 | -63.4 | 168.5 | 0 | 0 | 0 | 112.4 | I33 L34 L37 A46 I47 F80 Y81 | I33-I50 HydrophobicContact CG2-CD1 4.32Å; I33-I50 HydrophobicContact CG2-CG1 4.44Å; L34-I50 HydrophobicContact CD2-CD1 3.82Å; L37-I50 HydrophobicContact CD1-CD1 3.6Å; L37-I50 HydrophobicContact CD2-CD1 4.11Å; L37-I50 HydrophobicContact CG-CD1 3.94Å; A46-I50 WeakPolarHBondContact O-CG1 3.44Å; A46-I50 PolarHBondContact O-N 3.38Å; I47-I50 PolarHBondContact O-N 2.81Å; I47-I50 VanDerWaalsContact O-N 3.12Å; I50-F80 HydrophobicContact CD1-CZ 4.48Å; I50-F80 HydrophobicContact CG1-CD1 4.31Å; I50-F80 HydrophobicContact CG1-CD2 4.42Å; I50-F80 HydrophobicContact CG1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CE2 4.06Å; I50-F80 HydrophobicContact CG1-CZ 3.82Å; I50-Y81 WeakPolarHBondContact O-CE2 3.4Å; I50-Y81 PolarHBondContact O-OH 3.49Å; I50-Y81 VanDerWaalsContact O-OH 3.07Å |
| 51 | Q | 94.1 | Very high | 90 | Very high | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -105.2 | 149.2 | -174.9 | -65.8 | -177.2 | -8.9 | 0 | 0 | 111.9 | I47 Q53 T77 | I47-Q51 HydrophobicContact CG2-CB 4.46Å; I47-Q51 HydrophobicContact CG2-CG 4.47Å; I47-Q51 PolarHBondContact O-N 3.15Å; Q51-Q53 PolarHBondContact O-N 3.12Å; Q51-Q53 PolarHBondContact O-NE2 2.83Å; Q51-T77 PolarHBondContact O-OG1 3.44Å |
| 52 | P | 93.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | trans | -58.8 | 135.7 | 167.5 | -21.4 | 33.8 | 0 | 0 | 0 | 110.9 | Y68 F158 K161 F162 L165 | P52-Y68 HydrophobicContact CB-CD1 4.02Å; P52-Y68 HydrophobicContact CB-CE1 4.05Å; P52-Y68 WeakPolarHBondContact O-CE1 3.48Å; P52-F158 HydrophobicContact CG-CD2 3.92Å; P52-F158 HydrophobicContact CG-CE2 3.62Å; P52-F158 HydrophobicContact CG-CZ 4.48Å; P52-K161 HydrophobicContact CB-CD 3.92Å; P52-K161 HydrophobicContact CB-CG 4.21Å; P52-F162 HydrophobicContact CG-CB 4.13Å; P52-F162 HydrophobicContact CG-CD2 4.06Å; P52-F162 HydrophobicContact CG-CG 4.4Å; P52-L165 HydrophobicContact CB-CD1 4.32Å | ||
| 53 | Q | 93.6 | Very high | 88.5 | Confident | 25 Ų | 25 | 74 Ų | 74 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -89.3 | 176.8 | -172.8 | -59.7 | -63.1 | -61.4 | 0 | 0 | 112 | L48 Q51 N55 Y68 R73 D74 K161 | L48-Q53 HydrophobicContact CD1-CG 4.02Å; Q51-Q53 PolarHBondContact O-N 3.12Å; Q51-Q53 PolarHBondContact O-NE2 2.83Å; Q53-N55 PolarHBondContact O-N 3.48Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.18Å; Q53-R73 HydrophobicContact CB-CB 4.07Å; Q53-R73 HydrophobicContact CG-CB 3.91Å; Q53-D74 WeakPolarHBondContact CB-OD1 3.46Å; Q53-D74 PolarHBondContact N-OD1 3.45Å; Q53-K161 PolarHBondContact O-NZ 3.32Å |
| 54 | Y | 93.2 | Very high | 88 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 26% | 0.263 | 42% | 0.418 | S | S | . | . | trans | 58.9 | 45.8 | 175.1 | -49 | -87 | 0 | 0 | 0 | 114 | Y68 Q69 G71 W72 R73 | Y54-Y68 WeakPolarHBondContact O-CA 3.33Å; Y54-Q69 PolarHBondContact O-N 3.16Å; Y54-Q69 VanDerWaalsContact O-N 3.13Å; Y54-G71 VanDerWaalsContact CE2-C 3.43Å; Y54-W72 VanDerWaalsContact OH-CD1 3.27Å; Y54-W72 PolarHBondContact OH-N 3.3Å; Y54-R73 HydrophobicContact CE2-CB 3.74Å; Y54-R73 HydrophobicContact CE2-CG 4.43Å; Y54-R73 WeakPolarHBondContact OH-CG 3.28Å; Y54-R73 PolarHBondContact OH-N 3.39Å | ||
| 55 | N | 92.9 | Very high | 87.7 | Confident | 100 Ų | 100 | 73.3 Ų | 73.3 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 139.7 | 171.1 | 65.8 | -64.7 | 0 | 0 | 0 | 110.9 | Q53 T66 L67 Y68 | Q53-N55 PolarHBondContact O-N 3.48Å; N55-T66 HydrophobicContact CB-CG2 3.88Å; N55-L67 CarbonylContact C-O 3.5Å; N55-L67 WeakPolarHBondContact CA-O 3.39Å; N55-Y68 HydrophobicContact CB-CD1 3.99Å; N55-Y68 HydrophobicContact CB-CE1 3.67Å |
| 56 | I | 89.9 | Confident | 87.6 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 30% | 0.303 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 118.1 | 176.6 | -58.3 | -179.7 | 0 | 0 | 0 | 106.9 | T58 L67 Q69 | I56-T58 HydrophobicContact CG2-CG2 4.32Å; I56-L67 PolarHBondContact N-O 3.3Å; I56-L67 PolarHBondContact O-N 3.3Å; I56-Q69 VanDerWaalsContact CD1-CD 3.42Å; I56-Q69 HydrophobicContact CD1-CG 3.75Å; I56-Q69 VanDerWaalsContact CD1-NE2 3.34Å |
| 57 | S | 87.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 122.1 | 174.3 | -73 | 0 | 0 | 0 | 0 | 110.3 | E64 | S57-E64 WeakPolarHBondContact CB-OE1 3.39Å; S57-E64 PolarHBondContact OG-OE1 3.31Å |
| 58 | T | 80.4 | Confident | 87.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.6 | 174.4 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | I56 S60 V65 | I56-T58 HydrophobicContact CG2-CG2 4.32Å; T58-S60 PolarHBondContact O-N 2.7Å; T58-V65 PolarHBondContact N-O 2.91Å; T58-V65 PolarHBondContact O-N 3.05Å; T58-V65 PolarHBondContact OG1-O 3.24Å; T58-V65 VanDerWaalsContact OG1-O 3.1Å |
| 59 | Q | 79.7 | Confident | 87.7 | Confident | 181 Ų | 181 | 72.4 Ų | 72.4 | 85% | 0.846 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.3 | 173.5 | -67.5 | -108.8 | 13.8 | 0 | 0 | 109.4 | ||
| 60 | S | 75 | Confident | 87.6 | Confident | 44 Ų | 44 | 73 Ų | 73 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 155.3 | 171.6 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | T58 E62 G63 | T58-S60 PolarHBondContact O-N 2.7Å; S60-E62 PolarHBondContact O-N 2.83Å; S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 VanDerWaalsContact CB-O 3.24Å; S60-G63 WeakPolarHBondContact CB-O 3.43Å; S60-G63 PolarHBondContact N-O 3.25Å; S60-G63 PolarHBondContact O-N 3.5Å |
| 61 | P | 74.3 | Confident | 87.5 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 92% | 0.916 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.2 | 170.4 | -26.9 | 36.2 | 0 | 0 | 0 | 114.3 | ||
| 62 | E | 75.8 | Confident | 87.5 | Confident | 190 Ų | 190 | 76.3 Ų | 76.3 | 89% | 0.888 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.6 | 177.8 | -61.1 | 178.3 | 171.8 | 0 | 0 | 113.7 | S60 | S60-E62 PolarHBondContact O-N 2.83Š|
| 63 | G | 79.8 | Confident | 87.5 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.6 | -173.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S60 V65 | S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 VanDerWaalsContact CB-O 3.24Å; S60-G63 WeakPolarHBondContact CB-O 3.43Å; S60-G63 PolarHBondContact N-O 3.25Å; S60-G63 PolarHBondContact O-N 3.5Å; G63-V65 PolarHBondContact O-N 3.24Å |
| 64 | E | 82.4 | Confident | 87.7 | Confident | 131 Ų | 131 | 80.5 Ų | 80.5 | 61% | 0.612 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.7 | 175.1 | -171 | -177.6 | 159.8 | 0 | 0 | 110.6 | S57 | S57-E64 WeakPolarHBondContact CB-OE1 3.39Å; S57-E64 PolarHBondContact OG-OE1 3.31Å |
| 65 | V | 85.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.7 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | T58 G63 L67 | T58-V65 PolarHBondContact N-O 2.91Å; T58-V65 PolarHBondContact O-N 3.05Å; T58-V65 PolarHBondContact OG1-O 3.24Å; T58-V65 VanDerWaalsContact OG1-O 3.1Å; G63-V65 PolarHBondContact O-N 3.24Å; V65-L67 HydrophobicContact CG1-CD2 3.99Å; V65-L67 HydrophobicContact CG1-CG 4.12Å |
| 66 | T | 91.1 | Very high | 88 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.1 | 174.6 | -44.5 | 0 | 0 | 0 | 0 | 111 | N55 Y68 | N55-T66 HydrophobicContact CB-CG2 3.88Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å |
| 67 | L | 93.9 | Very high | 88.4 | Confident | 33 Ų | 33 | 78.5 Ų | 78.5 | 17% | 0.173 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 166.5 | 174.7 | -58.8 | 174.1 | 0 | 0 | 0 | 109.9 | N55 I56 V65 H155 L156 R157 | N55-L67 CarbonylContact C-O 3.5Å; N55-L67 WeakPolarHBondContact CA-O 3.39Å; I56-L67 PolarHBondContact N-O 3.3Å; I56-L67 PolarHBondContact O-N 3.3Å; V65-L67 HydrophobicContact CG1-CD2 3.99Å; V65-L67 HydrophobicContact CG1-CG 4.12Å; L67-H155 HydrophobicContact CB-CB 4.21Å; L67-H155 HydrophobicContact CD1-CB 3.97Å; L67-L156 CarbonylContact C-O 3.37Å; L67-R157 HydrophobicContact CD2-CG 3.89Å |
| 68 | Y | 95.3 | Very high | 88.9 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.6 | -174.3 | -62.8 | -104.9 | 0 | 0 | 0 | 110.6 | P52 Q53 Y54 N55 T66 L156 F158 K161 | P52-Y68 HydrophobicContact CB-CD1 4.02Å; P52-Y68 HydrophobicContact CB-CE1 4.05Å; P52-Y68 WeakPolarHBondContact O-CE1 3.48Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.18Å; Y54-Y68 WeakPolarHBondContact O-CA 3.33Å; N55-Y68 HydrophobicContact CB-CD1 3.99Å; N55-Y68 HydrophobicContact CB-CE1 3.67Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å; Y68-L156 PolarHBondContact N-O 3.38Å; Y68-L156 WeakPolarHBondContact O-CB 3.37Å; Y68-L156 PolarHBondContact O-N 3.16Å; Y68-F158 HydrophobicContact CD2-CB 4.32Å; Y68-F158 HydrophobicContact CE2-CB 3.72Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; Y68-K161 HydrophobicContact CD1-CD 4.23Å; Y68-K161 HydrophobicContact CG-CD 4.16Å |
| 69 | Q | 94.3 | Very high | 89.8 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -99.7 | 167 | 171 | -59.6 | -174.8 | -19.6 | 0 | 0 | 110.3 | Y54 I56 V154 H155 K161 | Y54-Q69 PolarHBondContact O-N 3.16Å; Y54-Q69 VanDerWaalsContact O-N 3.13Å; I56-Q69 VanDerWaalsContact CD1-CD 3.42Å; I56-Q69 HydrophobicContact CD1-CG 3.75Å; I56-Q69 VanDerWaalsContact CD1-NE2 3.34Å; Q69-V154 HydrophobicContact CG-CG1 4.05Å; Q69-H155 PolarHBondContact NE2-NE2 3.07Å; Q69-H155 VanDerWaalsContact NE2-NE2 3.16Å; Q69-K161 PolarHBondContact O-NZ 3.32Å | ||
| 70 | Y | 91.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 68.4 Ų | 68.4 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | trans | -81.7 | 155.6 | 169.5 | 77.3 | -97.2 | 0 | 0 | 0 | 110.9 | Y206 L207 | Y70-Y206 WeakPolarHBondContact CA-OH 3.47Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.48Å; Y70-L207 HydrophobicContact CD2-CD2 4Å; Y70-L207 HydrophobicContact CE2-CD2 4.27Å | ||
| 71 | G | 92.6 | Very high | 91.8 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | trans | -176.3 | 174.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y54 R73 D74 | Y54-G71 VanDerWaalsContact CE2-C 3.43Å; G71-R73 PolarHBondContact O-N 2.8Å; G71-R73 VanDerWaalsContact O-N 3.11Å; G71-D74 PolarHBondContact N-OD2 2.92Å; G71-D74 VanDerWaalsContact O-CB 3.29Å; G71-D74 WeakPolarHBondContact O-CB 3.35Å; G71-D74 PolarHBondContact O-N 2.93Å; G71-D74 VanDerWaalsContact O-OD2 3.12Å | ||
| 72 | W | 93.9 | Very high | 92.9 | Very high | 192 Ų | 192 | 63.4 Ų | 63.4 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.1 | -170.3 | 77.2 | -96.3 | 0 | 0 | 0 | 114.3 | Y54 D74 W75 | Y54-W72 VanDerWaalsContact OH-CD1 3.27Å; Y54-W72 PolarHBondContact OH-N 3.3Å; W72-D74 PolarHBondContact O-N 3.4Å; W72-W75 WeakPolarHBondContact O-CB 3.41Å; W72-W75 PolarHBondContact O-N 3.26Å |
| 73 | R | 95.1 | Very high | 94 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.4 | 178.1 | -70 | -178.7 | 179.7 | 179 | 2.5 | 113.5 | L48 Q53 Y54 G71 W75 A76 | L48-R73 HydrophobicContact CD1-CB 3.88Å; L48-R73 HydrophobicContact CD1-CG 4.11Å; Q53-R73 HydrophobicContact CB-CB 4.07Å; Q53-R73 HydrophobicContact CG-CB 3.91Å; Y54-R73 HydrophobicContact CE2-CB 3.74Å; Y54-R73 HydrophobicContact CE2-CG 4.43Å; Y54-R73 WeakPolarHBondContact OH-CG 3.28Å; Y54-R73 PolarHBondContact OH-N 3.39Å; G71-R73 PolarHBondContact O-N 2.8Å; G71-R73 VanDerWaalsContact O-N 3.11Å; R73-W75 PolarHBondContact O-N 3.22Å; R73-W75 VanDerWaalsContact O-N 3.13Å; R73-A76 WeakPolarHBondContact O-CB 3.14Å; R73-A76 PolarHBondContact O-N 3.01Å |
| 74 | D | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63 | -17.8 | 175.7 | -65 | -42.9 | 0 | 0 | 0 | 112.6 | Q53 G71 W72 A76 T77 I78 K161 L165 Y206 | Q53-D74 WeakPolarHBondContact CB-OD1 3.46Å; Q53-D74 PolarHBondContact N-OD1 3.45Å; G71-D74 PolarHBondContact N-OD2 2.92Å; G71-D74 VanDerWaalsContact O-CB 3.29Å; G71-D74 WeakPolarHBondContact O-CB 3.35Å; G71-D74 PolarHBondContact O-N 2.93Å; G71-D74 VanDerWaalsContact O-OD2 3.12Å; W72-D74 PolarHBondContact O-N 3.4Å; D74-A76 VanDerWaalsContact C-N 3.28Å; D74-A76 PolarHBondContact O-N 3.08Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.2Å; D74-I78 WeakPolarHBondContact O-CB 3.37Å; D74-I78 VanDerWaalsContact O-CG1 3.25Å; D74-I78 WeakPolarHBondContact O-CG1 3.34Å; D74-I78 PolarHBondContact O-N 2.86Å; D74-K161 VanDerWaalsContact CG-CE 3.42Å; D74-K161 WeakPolarHBondContact OD1-CE 3.35Å; D74-K161 IonicContact OD1-NZ 3.79Å; D74-K161 PolarHBondContact OD1-NZ 3.44Å; D74-K161 WeakPolarHBondContact OD2-CE 3.41Å; D74-K161 IonicContact OD2-NZ 2.72Å; D74-K161 PolarHBondContact OD2-NZ 3.12Å; D74-L165 HydrophobicContact CB-CD1 4.16Å; D74-L165 HydrophobicContact CB-CD2 3.79Å; D74-Y206 PolarHBondContact OD2-OH 3.06Å |
| 75 | W | 97 | Very high | 95.6 | Very high | 167 Ų | 167 | 51 Ų | 51 | 63% | 0.633 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.9 | -33.4 | 169.4 | -81.1 | 110.5 | 0 | 0 | 0 | 113.5 | W72 R73 I78 L79 L172 | W72-W75 WeakPolarHBondContact O-CB 3.41Å; W72-W75 PolarHBondContact O-N 3.26Å; R73-W75 PolarHBondContact O-N 3.22Å; R73-W75 VanDerWaalsContact O-N 3.13Å; W75-I78 HydrophobicContact CE3-CD1 4.4Å; W75-I78 HydrophobicContact CE3-CG2 4.34Å; W75-I78 HydrophobicContact CZ3-CG2 4.42Å; W75-L79 VanDerWaalsContact O-CB 3.31Å; W75-L79 WeakPolarHBondContact O-CB 3.44Å; W75-L79 PolarHBondContact O-N 3.3Å; W75-L172 HydrophobicContact CZ3-CD1 3.9Å |
| 76 | A | 96.9 | Very high | 96.2 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 13% | 0.132 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.2 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L48 F49 R73 D74 L79 F80 | L48-A76 HydrophobicContact CD1-CB 4.38Å; L48-A76 HydrophobicContact CD2-CB 4.32Å; L48-A76 HydrophobicContact CG-CB 3.81Å; F49-A76 HydrophobicContact CD1-CB 4.01Å; F49-A76 VanDerWaalsContact CD1-O 3.29Å; F49-A76 WeakPolarHBondContact CD1-O 3.37Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.48Å; F49-A76 HydrophobicContact CZ-CB 4.48Å; R73-A76 WeakPolarHBondContact O-CB 3.14Å; R73-A76 PolarHBondContact O-N 3.01Å; D74-A76 VanDerWaalsContact C-N 3.28Å; D74-A76 PolarHBondContact O-N 3.08Å; A76-L79 PolarHBondContact O-N 3.27Å; A76-F80 PolarHBondContact O-N 2.83Å |
| 77 | T | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 174 | -39.5 | 0 | 0 | 0 | 0 | 111.4 | L48 F49 Q51 D74 L79 F80 Y81 L165 | L48-T77 PolarHBondContact O-OG1 3.22Å; F49-T77 WeakPolarHBondContact O-CA 3.27Å; Q51-T77 PolarHBondContact O-OG1 3.44Å; D74-T77 WeakPolarHBondContact O-CB 3.5Å; D74-T77 PolarHBondContact O-N 3.2Å; T77-L79 VanDerWaalsContact C-N 3.3Å; T77-L79 PolarHBondContact O-N 3.34Å; T77-F80 PolarHBondContact O-N 3.15Å; T77-Y81 HydrophobicContact CG2-CD2 3.91Å; T77-Y81 HydrophobicContact CG2-CE2 3.87Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.5Å; T77-Y81 PolarHBondContact O-N 2.82Å; T77-L165 HydrophobicContact CG2-CD1 3.87Å |
| 78 | I | 98.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -42.5 | 175.8 | -69.6 | 163.5 | 0 | 0 | 0 | 111.1 | D74 W75 Y81 F82 L165 L168 A169 L172 | D74-I78 WeakPolarHBondContact O-CB 3.37Å; D74-I78 VanDerWaalsContact O-CG1 3.25Å; D74-I78 WeakPolarHBondContact O-CG1 3.34Å; D74-I78 PolarHBondContact O-N 2.86Å; W75-I78 HydrophobicContact CE3-CD1 4.4Å; W75-I78 HydrophobicContact CE3-CG2 4.34Å; W75-I78 HydrophobicContact CZ3-CG2 4.42Å; I78-Y81 PolarHBondContact O-N 3.27Å; I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 2.72Å; I78-L165 HydrophobicContact CD1-CD2 3.97Å; I78-L165 HydrophobicContact CG1-CB 4.14Å; I78-L165 HydrophobicContact CG1-CD2 3.98Å; I78-L168 HydrophobicContact CD1-CB 4.15Å; I78-L168 HydrophobicContact CD1-CD1 3.72Å; I78-L168 HydrophobicContact CG1-CB 4.31Å; I78-L168 HydrophobicContact CG2-CB 4.34Å; I78-A169 HydrophobicContact CG2-CB 4.33Å; I78-A169 WeakPolarHBondContact O-CB 3.46Å; I78-L172 HydrophobicContact CG2-CD1 3.49Å; I78-L172 VanDerWaalsContact CG2-CD1 3.49Å |
| 79 | L | 97.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.5 | -40 | 178.5 | -179.6 | 60.2 | 0 | 0 | 0 | 112.6 | F49 W75 A76 T77 F82 F83 | F49-L79 HydrophobicContact CE1-CD2 4.38Å; W75-L79 VanDerWaalsContact O-CB 3.31Å; W75-L79 WeakPolarHBondContact O-CB 3.44Å; W75-L79 PolarHBondContact O-N 3.3Å; A76-L79 PolarHBondContact O-N 3.27Å; T77-L79 VanDerWaalsContact C-N 3.3Å; T77-L79 PolarHBondContact O-N 3.34Å; L79-F82 HydrophobicContact CD1-CD1 4Å; L79-F82 HydrophobicContact CD1-CE1 4.44Å; L79-F82 WeakPolarHBondContact O-CB 3.3Å; L79-F82 PolarHBondContact O-N 3.13Å; L79-F83 HydrophobicContact CD1-CE1 4.22Å; L79-F83 HydrophobicContact CD1-CE2 4.2Å; L79-F83 HydrophobicContact CD1-CZ 3.81Å; L79-F83 HydrophobicContact CG-CE2 4.04Å; L79-F83 HydrophobicContact CG-CZ 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 2.88Å |
| 80 | F | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -50.3 | 174.9 | -178 | -102.3 | 0 | 0 | 0 | 111.7 | V30 I33 L34 F49 I50 A76 T77 F82 F83 I84 | V30-F80 HydrophobicContact CG1-CE2 4.11Å; V30-F80 HydrophobicContact CG1-CZ 4.16Å; I33-F80 HydrophobicContact CB-CD2 4.48Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.93Å; I33-F80 HydrophobicContact CD1-CE2 4.37Å; I33-F80 HydrophobicContact CG2-CD2 4.02Å; I33-F80 HydrophobicContact CG2-CE2 3.87Å; L34-F80 HydrophobicContact CD2-CZ 4.33Å; F49-F80 HydrophobicContact CB-CB 3.92Å; F49-F80 HydrophobicContact CB-CD2 4.13Å; F49-F80 HydrophobicContact CB-CG 4.16Å; F49-F80 HydrophobicContact CD1-CB 4.35Å; F49-F80 WeakPolarHBondContact O-CB 3.26Å; F49-F80 WeakPolarHBondContact O-CG 3.39Å; I50-F80 HydrophobicContact CD1-CZ 4.48Å; I50-F80 HydrophobicContact CG1-CD1 4.31Å; I50-F80 HydrophobicContact CG1-CD2 4.42Å; I50-F80 HydrophobicContact CG1-CE1 3.95Å; I50-F80 HydrophobicContact CG1-CE2 4.06Å; I50-F80 HydrophobicContact CG1-CZ 3.82Å; A76-F80 PolarHBondContact O-N 2.83Å; T77-F80 PolarHBondContact O-N 3.15Å; F80-F82 PolarHBondContact O-N 2.92Å; F80-F83 WeakPolarHBondContact O-CB 3.38Å; F80-F83 PolarHBondContact O-N 3.46Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.24Å; F80-I84 HydrophobicContact CE1-CG1 4.01Å; F80-I84 HydrophobicContact CZ-CD1 4.21Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 PolarHBondContact O-N 3.15Å; F80-I84 VanDerWaalsContact O-N 3.09Å |
| 81 | Y | 98.4 | Very high | 97.1 | Very high | 42 Ų | 42 | 48 Ų | 48 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.6 | -21.6 | 178.4 | -74.6 | -77.5 | 0 | 0 | 0 | 112.9 | I50 T77 I78 I84 T85 F162 | I50-Y81 WeakPolarHBondContact O-CE2 3.4Å; I50-Y81 PolarHBondContact O-OH 3.49Å; I50-Y81 VanDerWaalsContact O-OH 3.07Å; T77-Y81 HydrophobicContact CG2-CD2 3.91Å; T77-Y81 HydrophobicContact CG2-CE2 3.87Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.5Å; T77-Y81 PolarHBondContact O-N 2.82Å; I78-Y81 PolarHBondContact O-N 3.27Å; Y81-I84 HydrophobicContact CD1-CB 4.4Å; Y81-I84 HydrophobicContact CD1-CG1 4.28Å; Y81-I84 PolarHBondContact O-N 2.98Å; Y81-T85 WeakPolarHBondContact O-CG2 3.45Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 PolarHBondContact O-OG1 3.07Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å; Y81-F162 HydrophobicContact CD1-CE2 4.28Å; Y81-F162 HydrophobicContact CD1-CZ 4.31Å; Y81-F162 HydrophobicContact CD2-CE2 4.05Å; Y81-F162 AromaticContact CE1-CE2 3.78Å; Y81-F162 HydrophobicContact CE1-CE2 3.78Å; Y81-F162 AromaticContact CE1-CZ 3.62Å; Y81-F162 HydrophobicContact CE1-CZ 3.62Å; Y81-F162 AromaticContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CZ 4.23Å; Y81-F162 HydrophobicContact CG-CE2 4.41Å; Y81-F162 AromaticContact CZ-CE2 3.38Å; Y81-F162 AromaticContact CZ-CZ 3.58Å |
| 82 | F | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -37.8 | 169.4 | 159.2 | -85.3 | 0 | 0 | 0 | 111.7 | I78 L79 F80 T85 I86 A169 L172 H173 P176 | I78-F82 WeakPolarHBondContact O-CB 3.32Å; I78-F82 PolarHBondContact O-N 2.72Å; L79-F82 HydrophobicContact CD1-CD1 4Å; L79-F82 HydrophobicContact CD1-CE1 4.44Å; L79-F82 WeakPolarHBondContact O-CB 3.3Å; L79-F82 PolarHBondContact O-N 3.13Å; F80-F82 PolarHBondContact O-N 2.92Å; F82-T85 WeakPolarHBondContact CA-OG1 3.4Å; F82-T85 PolarHBondContact O-OG1 2.88Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CE1-CD1 3.74Å; F82-I86 HydrophobicContact CE2-CD1 4.41Å; F82-I86 HydrophobicContact CZ-CD1 3.87Å; F82-I86 WeakPolarHBondContact O-CG1 3.36Å; F82-I86 PolarHBondContact O-N 2.86Å; F82-A169 HydrophobicContact CB-CB 4.37Å; F82-L172 HydrophobicContact CD2-CB 3.78Å; F82-L172 HydrophobicContact CE2-CB 4.25Å; F82-H173 HydrophobicContact CD2-CB 4.07Å; F82-H173 HydrophobicContact CE2-CB 4.42Å; F82-P176 HydrophobicContact CE2-CG 3.96Å; F82-P176 HydrophobicContact CZ-CG 3.87Å |
| 83 | F | 98.3 | Very high | 97.5 | Very high | 37 Ų | 37 | 40.6 Ų | 40.6 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -41.6 | 170.5 | -63.7 | -37.6 | 0 | 0 | 0 | 111.7 | V26 V30 L79 F80 T85 I86 I87 | V26-F83 HydrophobicContact CG1-CB 3.48Å; V26-F83 VanDerWaalsContact CG1-CB 3.48Å; V26-F83 HydrophobicContact CG1-CD1 3.76Å; V26-F83 HydrophobicContact CG1-CG 3.92Å; V26-F83 WeakPolarHBondContact CG1-O 3.42Å; V30-F83 HydrophobicContact CG2-CB 3.62Å; L79-F83 HydrophobicContact CD1-CE1 4.22Å; L79-F83 HydrophobicContact CD1-CE2 4.2Å; L79-F83 HydrophobicContact CD1-CZ 3.81Å; L79-F83 HydrophobicContact CG-CE2 4.04Å; L79-F83 HydrophobicContact CG-CZ 4.13Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 2.88Å; F80-F83 WeakPolarHBondContact O-CB 3.38Å; F80-F83 PolarHBondContact O-N 3.46Å; F83-T85 PolarHBondContact O-N 2.89Å; F83-I86 PolarHBondContact O-N 2.64Å; F83-I87 WeakPolarHBondContact O-CD1 3.45Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 2.99Å |
| 84 | I | 98.2 | Very high | 97.5 | Very high | 44 Ų | 44 | 40 Ų | 40 | 23% | 0.226 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 174.7 | -59.3 | -64.9 | 0 | 0 | 0 | 111.5 | V30 F80 Y81 I86 I87 L88 | V30-I84 HydrophobicContact CG1-CD1 3.67Å; V30-I84 HydrophobicContact CG2-CD1 4.02Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.24Å; F80-I84 HydrophobicContact CE1-CG1 4.01Å; F80-I84 HydrophobicContact CZ-CD1 4.21Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 PolarHBondContact O-N 3.15Å; F80-I84 VanDerWaalsContact O-N 3.09Å; Y81-I84 HydrophobicContact CD1-CB 4.4Å; Y81-I84 HydrophobicContact CD1-CG1 4.28Å; Y81-I84 PolarHBondContact O-N 2.98Å; I84-I86 PolarHBondContact O-N 3.41Å; I84-I87 PolarHBondContact O-N 3.49Å; I84-L88 HydrophobicContact CG2-CD1 3.87Å; I84-L88 HydrophobicContact CG2-CG 4.21Å; I84-L88 WeakPolarHBondContact O-CG 3.49Å; I84-L88 PolarHBondContact O-N 3.15Å |
| 85 | T | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -32 | -179.8 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | Y81 F82 F83 L88 H89 A169 Y170 H173 | Y81-T85 WeakPolarHBondContact O-CG2 3.45Å; Y81-T85 PolarHBondContact O-N 3.45Å; Y81-T85 PolarHBondContact O-OG1 3.07Å; Y81-T85 VanDerWaalsContact O-OG1 3.09Å; F82-T85 WeakPolarHBondContact CA-OG1 3.4Å; F82-T85 PolarHBondContact O-OG1 2.88Å; F83-T85 PolarHBondContact O-N 2.89Å; T85-L88 PolarHBondContact O-N 3.39Å; T85-H89 WeakPolarHBondContact O-CB 3.44Å; T85-H89 PolarHBondContact O-N 3.19Å; T85-A169 PolarHBondContact OG1-O 3.37Å; T85-Y170 HydrophobicContact CG2-CD2 4.21Å; T85-H173 WeakPolarHBondContact OG1-CB 3.32Å |
| 86 | I | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 169.4 | -68.4 | 167.8 | 0 | 0 | 0 | 110.8 | V26 F82 F83 I84 H89 A90 H173 P176 F180 | V26-I86 HydrophobicContact CB-CG2 4.35Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CG2 4.34Å; V26-I86 HydrophobicContact CG2-CD1 4.44Å; V26-I86 HydrophobicContact CG2-CG2 4.22Å; F82-I86 HydrophobicContact CD1-CD1 4.21Å; F82-I86 HydrophobicContact CE1-CD1 3.74Å; F82-I86 HydrophobicContact CE2-CD1 4.41Å; F82-I86 HydrophobicContact CZ-CD1 3.87Å; F82-I86 WeakPolarHBondContact O-CG1 3.36Å; F82-I86 PolarHBondContact O-N 2.86Å; F83-I86 PolarHBondContact O-N 2.64Å; I84-I86 PolarHBondContact O-N 3.41Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.37Å; I86-A90 PolarHBondContact O-N 3.13Å; I86-A90 VanDerWaalsContact O-N 3.17Å; I86-H173 HydrophobicContact CG1-CB 4.17Å; I86-P176 HydrophobicContact CD1-CG 4.41Å; I86-F180 HydrophobicContact CG2-CE2 4.48Å |
| 87 | I | 97.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 178.8 | -61.4 | 157 | 0 | 0 | 0 | 110.3 | V26 F27 V30 F83 I84 H89 A90 V91 | V26-I87 HydrophobicContact CB-CG1 4.47Å; V26-I87 HydrophobicContact CG1-CD1 4.18Å; V26-I87 HydrophobicContact CG1-CG1 4.08Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.25Å; F27-I87 HydrophobicContact CD2-CD1 4.26Å; F27-I87 HydrophobicContact CD2-CG2 4.49Å; V30-I87 HydrophobicContact CB-CD1 4.26Å; V30-I87 HydrophobicContact CG2-CD1 3.75Å; F83-I87 WeakPolarHBondContact O-CD1 3.45Å; F83-I87 WeakPolarHBondContact O-CG1 3.29Å; F83-I87 PolarHBondContact O-N 2.99Å; I84-I87 PolarHBondContact O-N 3.49Å; I87-H89 VanDerWaalsContact C-N 3.32Å; I87-H89 PolarHBondContact O-N 3.5Å; I87-A90 PolarHBondContact O-N 3.27Å; I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.99Å |
| 88 | L | 97.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 45 Ų | 45 | 51% | 0.508 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.6 | -38.4 | 177 | -70.5 | 174.2 | 0 | 0 | 0 | 112.3 | I84 T85 V91 V92 | I84-L88 HydrophobicContact CG2-CD1 3.87Å; I84-L88 HydrophobicContact CG2-CG 4.21Å; I84-L88 WeakPolarHBondContact O-CG 3.49Å; I84-L88 PolarHBondContact O-N 3.15Å; T85-L88 PolarHBondContact O-N 3.39Å; L88-V91 PolarHBondContact O-N 3.09Å; L88-V92 WeakPolarHBondContact O-CB 3.16Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.84Å |
| 89 | H | 97.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.06 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 175.4 | -166 | 116.7 | 0 | 0 | 0 | 111.1 | T85 I86 I87 V92 Q93 Q119 H173 E177 Q181 | T85-H89 WeakPolarHBondContact O-CB 3.44Å; T85-H89 PolarHBondContact O-N 3.19Å; I86-H89 WeakPolarHBondContact O-CB 3.38Å; I86-H89 PolarHBondContact O-N 3.37Å; I87-H89 VanDerWaalsContact C-N 3.32Å; I87-H89 PolarHBondContact O-N 3.5Å; H89-V92 PolarHBondContact O-N 2.95Å; H89-Q93 WeakPolarHBondContact O-CB 3.31Å; H89-Q93 PolarHBondContact O-N 3.25Å; H89-Q119 PolarHBondContact CD2-NE2 3.03Å; H89-Q119 VanDerWaalsContact NE2-CD 3.26Å; H89-Q119 WeakPolarHBondContact NE2-CG 3.33Å; H89-Q119 PolarHBondContact NE2-NE2 2.91Å; H89-Q119 PolarHBondContact O-NE2 3.28Å; H89-H173 AromaticContact CE1-NE2 3.9Å; H89-H173 AromaticContact CG-NE2 3.65Å; H89-H173 AromaticContact ND1-CD2 3.93Å; H89-H173 AromaticContact ND1-CE1 3.77Å; H89-H173 AromaticContact ND1-NE2 2.87Å; H89-H173 PolarHBondContact ND1-NE2 2.9Å; H89-E177 IonicContact CD2-OE1 2.67Å; H89-E177 PolarHBondContact CD2-OE1 2.91Å; H89-E177 IonicContact CE1-OE1 2.91Å; H89-E177 IonicContact NE2-OE1 2.68Å; H89-E177 PolarHBondContact NE2-OE1 2.58Å; H89-Q181 PolarHBondContact CE1-NE2 3.02Å; H89-Q181 PolarHBondContact NE2-NE2 3.38Å |
| 90 | A | 96.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 49 Ų | 49 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | A23 I86 I87 Q93 E94 | A23-A90 HydrophobicContact CB-CB 3.47Å; A23-A90 VanDerWaalsContact CB-CB 3.47Å; I86-A90 PolarHBondContact O-N 3.13Å; I86-A90 VanDerWaalsContact O-N 3.17Å; I87-A90 PolarHBondContact O-N 3.27Å; A90-Q93 WeakPolarHBondContact O-CB 3.36Å; A90-Q93 PolarHBondContact O-N 2.67Å; A90-E94 PolarHBondContact O-N 3.13Å |
| 91 | V | 96.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 49 Ų | 49 | 41% | 0.412 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -47 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.4 | I87 L88 Q93 Y95 | I87-V91 HydrophobicContact CG2-CG2 4.47Å; I87-V91 WeakPolarHBondContact O-CG2 3.42Å; I87-V91 PolarHBondContact O-N 2.99Å; L88-V91 PolarHBondContact O-N 3.09Å; V91-Q93 VanDerWaalsContact C-N 3.29Å; V91-Q93 PolarHBondContact O-N 3.33Å; V91-Y95 HydrophobicContact CB-CD2 4.5Å; V91-Y95 HydrophobicContact CG1-CD2 4.04Å; V91-Y95 WeakPolarHBondContact O-CB 3.38Å; V91-Y95 WeakPolarHBondContact O-CD2 3.19Å; V91-Y95 PolarHBondContact O-N 3.46Å |
| 92 | V | 97.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -61.7 | -39.4 | 175.5 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | L88 H89 I96 L97 Q119 V122 | L88-V92 WeakPolarHBondContact O-CB 3.16Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.84Å; H89-V92 PolarHBondContact O-N 2.95Å; V92-I96 HydrophobicContact CG1-CD1 4.43Å; V92-I96 HydrophobicContact CG2-CD1 4.41Å; V92-I96 WeakPolarHBondContact O-CB 3.38Å; V92-I96 PolarHBondContact O-N 3.06Å; V92-L97 HydrophobicContact CG1-CD1 4.13Å; V92-L97 HydrophobicContact CG1-CG 4.2Å; V92-L97 PolarHBondContact O-N 3.29Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.3Å; V92-V122 HydrophobicContact CG1-CB 4.33Å; V92-V122 HydrophobicContact CG1-CG1 4.44Å; V92-V122 HydrophobicContact CG1-CG2 4.03Å; V92-V122 HydrophobicContact CG2-CG1 4.05Å |
| 93 | Q | 96.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -63.6 | -53.2 | 179 | -169.2 | 56.2 | 51.5 | 0 | 0 | 111.6 | H89 A90 V91 L97 D98 N115 | H89-Q93 WeakPolarHBondContact O-CB 3.31Å; H89-Q93 PolarHBondContact O-N 3.25Å; A90-Q93 WeakPolarHBondContact O-CB 3.36Å; A90-Q93 PolarHBondContact O-N 2.67Å; V91-Q93 VanDerWaalsContact C-N 3.29Å; V91-Q93 PolarHBondContact O-N 3.33Å; Q93-L97 PolarHBondContact O-N 3.42Å; Q93-D98 PolarHBondContact NE2-OD1 2.9Å; Q93-D98 WeakPolarHBondContact O-CB 3.21Å; Q93-D98 PolarHBondContact O-N 3.37Å; Q93-N115 VanDerWaalsContact NE2-CG 3.34Å; Q93-N115 PolarHBondContact NE2-ND2 2.96Å; Q93-N115 VanDerWaalsContact NE2-ND2 3.12Å; Q93-N115 PolarHBondContact NE2-OD1 3.48Å |
| 94 | E | 94.6 | Very high | 95 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -73.4 | -48.1 | -173.6 | 179.7 | 172.6 | -172.4 | 0 | 0 | 113 | A90 R102 | A90-E94 PolarHBondContact O-N 3.13Å; E94-R102 PolarHBondContact O-NH2 3.18Å |
| 95 | Y | 95.2 | Very high | 94.5 | Very high | 143 Ų | 143 | 68 Ų | 68 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | I | π-helix | trans | -88 | -24.6 | -169.4 | -68.1 | -87.4 | 0 | 0 | 0 | 113.4 | V91 K99 | V91-Y95 HydrophobicContact CB-CD2 4.5Å; V91-Y95 HydrophobicContact CG1-CD2 4.04Å; V91-Y95 WeakPolarHBondContact O-CB 3.38Å; V91-Y95 WeakPolarHBondContact O-CD2 3.19Å; V91-Y95 PolarHBondContact O-N 3.46Å; Y95-K99 WeakPolarHBondContact O-CG 3.41Å |
| 96 | I | 95.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 68.7 Ų | 68.7 | 43% | 0.431 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -108.5 | -69.2 | 178.7 | -50.9 | 179.1 | 0 | 0 | 0 | 110 | V92 D98 K99 V100 | V92-I96 HydrophobicContact CG1-CD1 4.43Å; V92-I96 HydrophobicContact CG2-CD1 4.41Å; V92-I96 WeakPolarHBondContact O-CB 3.38Å; V92-I96 PolarHBondContact O-N 3.06Å; I96-D98 PolarHBondContact O-N 3.09Å; I96-K99 PolarHBondContact O-N 3.25Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.35Å |
| 97 | L | 95.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -67.9 | -45.7 | -165.2 | -58.6 | 179 | 0 | 0 | 0 | 112.5 | V92 Q93 K99 V100 N101 Q119 M233 | V92-L97 HydrophobicContact CG1-CD1 4.13Å; V92-L97 HydrophobicContact CG1-CG 4.2Å; V92-L97 PolarHBondContact O-N 3.29Å; Q93-L97 PolarHBondContact O-N 3.42Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.45Å; L97-N101 WeakPolarHBondContact O-CB 3.32Å; L97-N101 PolarHBondContact O-N 3.19Å; L97-N101 PolarHBondContact O-ND2 3.47Å; L97-N101 VanDerWaalsContact O-ND2 3.16Å; L97-Q119 HydrophobicContact CD1-CG 3.67Å; L97-M233 HydrophobicContact CD2-CE 4.44Å |
| 98 | D | 93.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 79.4 Ų | 79.4 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 177.2 | -81.8 | 9.7 | 0 | 0 | 0 | 112.4 | Q93 I96 R102 | Q93-D98 PolarHBondContact NE2-OD1 2.9Å; Q93-D98 WeakPolarHBondContact O-CB 3.21Å; Q93-D98 PolarHBondContact O-N 3.37Å; I96-D98 PolarHBondContact O-N 3.09Å; D98-R102 VanDerWaalsContact C-NH2 3.32Å; D98-R102 VanDerWaalsContact CB-NH2 3.35Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 3.49Å; D98-R102 VanDerWaalsContact O-N 3.15Å; D98-R102 PolarHBondContact O-NE 3.36Å; D98-R102 PolarHBondContact O-NH2 2.91Å |
| 99 | K | 92.9 | Very high | 92.8 | Very high | 108 Ų | 108 | 77.9 Ų | 77.9 | 47% | 0.47 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 173.1 | -63.5 | -70.9 | 176.8 | 172.4 | 0 | 111.1 | Y95 I96 L97 | Y95-K99 WeakPolarHBondContact O-CG 3.41Å; I96-K99 PolarHBondContact O-N 3.25Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.35Å |
| 100 | V | 93 | Very high | 92.4 | Very high | 56 Ų | 56 | 80.3 Ų | 80.3 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.4 | -48.1 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | I96 L97 R102 R103 L104 F114 | I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.35Å; L97-V100 PolarHBondContact O-N 3.45Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.98Å; V100-R103 WeakPolarHBondContact O-CA 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 3.42Å; V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4Å; V100-L104 PolarHBondContact O-N 3.38Å; V100-F114 HydrophobicContact CB-CE1 4.44Å; V100-F114 HydrophobicContact CG1-CE1 3.88Å; V100-F114 HydrophobicContact CG1-CZ 3.68Å |
| 101 | N | 91.5 | Very high | 92.2 | Very high | 10 Ų | 10 | 81.4 Ų | 81.4 | 5% | 0.053 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.9 | -39 | 177.6 | -77.5 | -39.7 | 0 | 0 | 0 | 113.4 | L97 R103 L104 H105 N111 F114 N115 | L97-N101 WeakPolarHBondContact O-CB 3.32Å; L97-N101 PolarHBondContact O-N 3.19Å; L97-N101 PolarHBondContact O-ND2 3.47Å; L97-N101 VanDerWaalsContact O-ND2 3.16Å; N101-R103 PolarHBondContact O-N 2.99Å; N101-L104 PolarHBondContact O-N 3.17Å; N101-H105 PolarHBondContact O-N 3.21Å; N101-N111 PolarHBondContact ND2-OD1 3.29Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.32Å; N101-N115 PolarHBondContact ND2-OD1 3.42Å |
| 102 | R | 90.1 | Very high | 92 | Very high | 136 Ų | 136 | 81.3 Ų | 81.3 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -21.3 | 175.9 | -82 | 174.9 | -78 | -145.3 | -3.6 | 113.4 | E94 D98 V100 | E94-R102 PolarHBondContact O-NH2 3.18Å; D98-R102 VanDerWaalsContact C-NH2 3.32Å; D98-R102 VanDerWaalsContact CB-NH2 3.35Å; D98-R102 WeakPolarHBondContact O-CB 3.43Å; D98-R102 VanDerWaalsContact O-CG 3.27Å; D98-R102 WeakPolarHBondContact O-CG 3.4Å; D98-R102 PolarHBondContact O-N 3.49Å; D98-R102 VanDerWaalsContact O-N 3.15Å; D98-R102 PolarHBondContact O-NE 3.36Å; D98-R102 PolarHBondContact O-NH2 2.91Å; V100-R102 VanDerWaalsContact C-N 3.27Å; V100-R102 PolarHBondContact O-N 2.98Å |
| 103 | R | 90.4 | Very high | 91.7 | Very high | 212 Ų | 212 | 84 Ų | 84 | 80% | 0.8 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -94.8 | -33.5 | 174.7 | -60.4 | -176.7 | -178.2 | -148.6 | 1.4 | 113.3 | V100 N101 H105 | V100-R103 WeakPolarHBondContact O-CA 3.45Å; V100-R103 WeakPolarHBondContact O-CB 3.46Å; V100-R103 PolarHBondContact O-N 3.42Å; N101-R103 PolarHBondContact O-N 2.99Å; R103-H105 PolarHBondContact O-CD2 3.04Å; R103-H105 VanDerWaalsContact O-CD2 3.3Å |
| 104 | L | 88.1 | Confident | 91.7 | Very high | 50 Ų | 50 | 82.5 Ų | 82.5 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -82.6 | -14.2 | -174.6 | -65.8 | -177.4 | 0 | 0 | 0 | 114.7 | V100 N101 L106 F114 T237 | V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4Å; V100-L104 PolarHBondContact O-N 3.38Å; N101-L104 PolarHBondContact O-N 3.17Å; L104-L106 HydrophobicContact CB-CD1 4.31Å; L104-L106 HydrophobicContact CB-CD2 4.1Å; L104-L106 HydrophobicContact CB-CG 3.77Å; L104-L106 HydrophobicContact CD1-CD1 4.23Å; L104-L106 PolarHBondContact O-N 2.92Å; L104-F114 HydrophobicContact CD1-CD2 4.5Å; L104-F114 HydrophobicContact CD1-CE2 3.82Å; L104-F114 HydrophobicContact CD1-CZ 3.84Å; L104-T237 WeakPolarHBondContact CD1-OG1 3.4Å; L104-T237 HydrophobicContact CD2-CG2 3.79Å |
| 105 | H | 88.3 | Confident | 91.7 | Very high | 162 Ų | 162 | 78.5 Ų | 78.5 | 75% | 0.75 | 37% | 0.372 | S | S | * | . | trans | 50.3 | 32 | 177.6 | -63.2 | -72.3 | 0 | 0 | 0 | 115 | N101 R103 | N101-H105 PolarHBondContact O-N 3.21Å; R103-H105 PolarHBondContact O-CD2 3.04Å; R103-H105 VanDerWaalsContact O-CD2 3.3Å | ||
| 106 | L | 89.3 | Confident | 91.7 | Very high | 27 Ų | 27 | 73.2 Ų | 73.2 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | trans | -63.1 | 145.2 | -176.8 | -58.8 | 179.9 | 0 | 0 | 0 | 112.5 | L104 K110 N111 F114 F236 | L104-L106 HydrophobicContact CB-CD1 4.31Å; L104-L106 HydrophobicContact CB-CD2 4.1Å; L104-L106 HydrophobicContact CB-CG 3.77Å; L104-L106 HydrophobicContact CD1-CD1 4.23Å; L104-L106 PolarHBondContact O-N 2.92Å; L106-K110 HydrophobicContact CB-CB 4.13Å; L106-N111 HydrophobicContact CB-CB 4.13Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.87Å; L106-F114 HydrophobicContact CD1-CG 3.87Å; L106-F236 HydrophobicContact CD1-CB 4.46Å; L106-F236 VanDerWaalsContact CD2-O 3.28Å; L106-F236 WeakPolarHBondContact CD2-O 3.28Å | ||
| 107 | S | 89.8 | Confident | 91.8 | Very high | 71 Ų | 71 | 69.2 Ų | 69.2 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -59.2 | 151.4 | 171.4 | 75.9 | 0 | 0 | 0 | 0 | 111.3 | S109 K110 N111 | S107-S109 PolarHBondContact O-N 3.2Å; S107-K110 PolarHBondContact O-N 3.38Å; S107-N111 WeakPolarHBondContact O-CB 3.39Å; S107-N111 PolarHBondContact O-N 3.35Å | ||
| 108 | K | 88.2 | Confident | 91.9 | Very high | 185 Ų | 185 | 69.1 Ų | 69.1 | 80% | 0.804 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -48.5 | -41.3 | -176 | -171.5 | 178.1 | 180 | -177.9 | 0 | 113.3 | T112 | K108-T112 PolarHBondContact O-N 3.32Å; K108-T112 VanDerWaalsContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 3.09Å |
| 109 | S | 87.4 | Confident | 92.1 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 46% | 0.462 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 178.9 | -173.9 | 0 | 0 | 0 | 0 | 113.7 | S107 K113 | S107-S109 PolarHBondContact O-N 3.2Å; S109-K113 WeakPolarHBondContact O-CG 3.42Å |
| 110 | K | 90.1 | Very high | 92.3 | Very high | 63 Ų | 63 | 62.7 Ų | 62.7 | 27% | 0.274 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 172.4 | -79.3 | -170.2 | 173.5 | -171.7 | 0 | 110.6 | L106 S107 K113 F114 F236 E239 | L106-K110 HydrophobicContact CB-CB 4.13Å; S107-K110 PolarHBondContact O-N 3.38Å; K110-K113 CarbonylContact O-C 3.53Å; K110-K113 PolarHBondContact O-N 3.48Å; K110-F114 WeakPolarHBondContact O-CB 3.42Å; K110-F114 PolarHBondContact O-N 3.17Å; K110-F236 HydrophobicContact CD-CD1 4.47Å; K110-F236 HydrophobicContact CG-CD1 4.37Å; K110-E239 IonicContact NZ-OE1 2.74Å; K110-E239 PolarHBondContact NZ-OE1 2.84Å |
| 111 | N | 92.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 179.8 | -172.6 | -48.8 | 0 | 0 | 0 | 112.4 | N101 L106 S107 K113 F114 N115 | N101-N111 PolarHBondContact ND2-OD1 3.29Å; L106-N111 HydrophobicContact CB-CB 4.13Å; S107-N111 WeakPolarHBondContact O-CB 3.39Å; S107-N111 PolarHBondContact O-N 3.35Å; N111-K113 VanDerWaalsContact C-N 3.28Å; N111-K113 PolarHBondContact O-N 3.2Å; N111-F114 WeakPolarHBondContact O-CB 3.3Å; N111-F114 PolarHBondContact O-N 3Å; N111-N115 PolarHBondContact O-N 2.89Å; N111-N115 PolarHBondContact OD1-ND2 2.89Å |
| 112 | T | 91.6 | Very high | 92.9 | Very high | 65 Ų | 65 | 62.6 Ų | 62.6 | 40% | 0.399 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.1 | -42.2 | 175.6 | -55 | 0 | 0 | 0 | 0 | 112.4 | K108 N115 E116 | K108-T112 PolarHBondContact O-N 3.32Å; K108-T112 VanDerWaalsContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 3.09Å; T112-N115 PolarHBondContact O-N 2.98Å; T112-E116 PolarHBondContact O-N 3.03Å; T112-E116 VanDerWaalsContact O-N 3.08Å |
| 113 | K | 92.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 57 Ų | 57 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73.5 | -28.6 | 178.4 | -69 | 172.6 | -177.7 | 171.2 | 0 | 113 | S109 K110 N111 S117 R232 F236 | S109-K113 WeakPolarHBondContact O-CG 3.42Å; K110-K113 CarbonylContact O-C 3.53Å; K110-K113 PolarHBondContact O-N 3.48Å; N111-K113 VanDerWaalsContact C-N 3.28Å; N111-K113 PolarHBondContact O-N 3.2Å; K113-S117 WeakPolarHBondContact O-CB 3.43Å; K113-S117 PolarHBondContact O-N 3.19Å; K113-S117 VanDerWaalsContact O-N 3.08Å; K113-R232 PolarHBondContact O-NH1 2.87Å; K113-F236 HydrophobicContact CB-CE2 3.66Å; K113-F236 HydrophobicContact CB-CZ 3.72Å; K113-F236 HydrophobicContact CD-CZ 4.33Å |
| 114 | F | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 172.8 | -173.8 | -86.2 | 0 | 0 | 0 | 110.4 | V100 N101 L104 L106 K110 N111 S117 G118 M233 F236 | V100-F114 HydrophobicContact CB-CE1 4.44Å; V100-F114 HydrophobicContact CG1-CE1 3.88Å; V100-F114 HydrophobicContact CG1-CZ 3.68Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.32Å; L104-F114 HydrophobicContact CD1-CD2 4.5Å; L104-F114 HydrophobicContact CD1-CE2 3.82Å; L104-F114 HydrophobicContact CD1-CZ 3.84Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.87Å; L106-F114 HydrophobicContact CD1-CG 3.87Å; K110-F114 WeakPolarHBondContact O-CB 3.42Å; K110-F114 PolarHBondContact O-N 3.17Å; N111-F114 WeakPolarHBondContact O-CB 3.3Å; N111-F114 PolarHBondContact O-N 3Å; F114-S117 PolarHBondContact O-N 3.28Å; F114-G118 PolarHBondContact O-N 3.09Å; F114-M233 HydrophobicContact CD2-CB 4.45Å; F114-M233 HydrophobicContact CD2-CG 4.33Å; F114-M233 HydrophobicContact CE1-CE 4Å; F114-M233 HydrophobicContact CE2-CB 3.94Å; F114-M233 HydrophobicContact CE2-CE 4.15Å; F114-M233 HydrophobicContact CE2-CG 4.09Å; F114-M233 HydrophobicContact CZ-CE 3.62Å; F114-M233 HydrophobicContact CZ-CG 4.49Å; F114-F236 HydrophobicContact CB-CD2 4.05Å; F114-F236 HydrophobicContact CD2-CB 3.97Å; F114-F236 HydrophobicContact CD2-CD2 4.09Å |
| 115 | N | 95.1 | Very high | 94.2 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -49.3 | 175.1 | -71.6 | -10.6 | 0 | 0 | 0 | 112.7 | Q93 N101 N111 T112 S117 G118 Q119 | Q93-N115 VanDerWaalsContact NE2-CG 3.34Å; Q93-N115 PolarHBondContact NE2-ND2 2.96Å; Q93-N115 VanDerWaalsContact NE2-ND2 3.12Å; Q93-N115 PolarHBondContact NE2-OD1 3.48Å; N101-N115 PolarHBondContact ND2-OD1 3.42Å; N111-N115 PolarHBondContact O-N 2.89Å; N111-N115 PolarHBondContact OD1-ND2 2.89Å; T112-N115 PolarHBondContact O-N 2.98Å; N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 3.23Å; N115-G118 PolarHBondContact O-N 3.01Å; N115-Q119 PolarHBondContact O-N 3.06Å |
| 116 | E | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.8 | -48.7 | 172.8 | -178.8 | -161.8 | -151.6 | 0 | 0 | 110.5 | T112 L120 R190 R232 | T112-E116 PolarHBondContact O-N 3.03Å; T112-E116 VanDerWaalsContact O-N 3.08Å; E116-L120 HydrophobicContact CG-CD1 4.39Å; E116-L120 WeakPolarHBondContact O-CG 3.43Å; E116-L120 PolarHBondContact O-N 2.87Å; E116-R190 IonicContact OE1-CZ 2.64Å; E116-R190 IonicContact OE1-NH1 3.63Å; E116-R190 PolarHBondContact OE1-NH1 3.08Å; E116-R190 VanDerWaalsContact OE1-NH1 3.13Å; E116-R190 IonicContact OE1-NH2 3.61Å; E116-R190 PolarHBondContact OE1-NH2 3.46Å; E116-R232 IonicContact OE2-CZ 2.7Å; E116-R232 IonicContact OE2-NH1 3.34Å; E116-R232 PolarHBondContact OE2-NH1 3.18Å; E116-R232 IonicContact OE2-NH2 2.79Å; E116-R232 PolarHBondContact OE2-NH2 3.05Å |
| 117 | S | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -37.2 | 176.3 | -89.1 | 0 | 0 | 0 | 0 | 114 | K113 F114 N115 C121 H229 R232 | K113-S117 WeakPolarHBondContact O-CB 3.43Å; K113-S117 PolarHBondContact O-N 3.19Å; K113-S117 VanDerWaalsContact O-N 3.08Å; F114-S117 PolarHBondContact O-N 3.28Å; N115-S117 VanDerWaalsContact C-N 3.26Å; N115-S117 PolarHBondContact O-N 3.23Å; S117-C121 WeakPolarHBondContact O-CB 3.49Å; S117-C121 PolarHBondContact O-N 2.99Å; S117-H229 WeakPolarHBondContact CA-ND1 3.47Å; S117-H229 PolarHBondContact OG-ND1 3.29Å; S117-R232 VanDerWaalsContact OG-CD 3.24Å; S117-R232 WeakPolarHBondContact OG-CD 3.31Å; S117-R232 WeakPolarHBondContact OG-CG 3.16Å; S117-R232 PolarHBondContact OG-NH1 2.69Å |
| 118 | G | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -45.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F114 N115 C121 V122 | F114-G118 PolarHBondContact O-N 3.09Å; N115-G118 PolarHBondContact O-N 3.01Å; G118-C121 WeakPolarHBondContact O-CB 3.43Å; G118-C121 PolarHBondContact O-N 3.04Å; G118-V122 WeakPolarHBondContact O-CG2 3.36Å; G118-V122 PolarHBondContact O-N 3.31Å |
| 119 | Q | 97.8 | Very high | 96 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 176 | -68.5 | -69 | 0.2 | 0 | 0 | 111.3 | H89 V92 L97 N115 C121 V122 F123 | H89-Q119 PolarHBondContact CD2-NE2 3.03Å; H89-Q119 VanDerWaalsContact NE2-CD 3.26Å; H89-Q119 WeakPolarHBondContact NE2-CG 3.33Å; H89-Q119 PolarHBondContact NE2-NE2 2.91Å; H89-Q119 PolarHBondContact O-NE2 3.28Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.3Å; L97-Q119 HydrophobicContact CD1-CG 3.67Å; N115-Q119 PolarHBondContact O-N 3.06Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 2.76Å; Q119-V122 PolarHBondContact O-N 3.38Å; Q119-F123 PolarHBondContact O-N 3.4Å |
| 120 | L | 97.8 | Very high | 96.5 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 12% | 0.115 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.3 | -69.8 | 170.2 | 0 | 0 | 0 | 112.1 | E116 H124 W171 H229 | E116-L120 HydrophobicContact CG-CD1 4.39Å; E116-L120 WeakPolarHBondContact O-CG 3.43Å; E116-L120 PolarHBondContact O-N 2.87Å; L120-H124 VanDerWaalsContact O-CB 3.25Å; L120-H124 WeakPolarHBondContact O-CB 3.47Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 VanDerWaalsContact O-CG 3.25Å; L120-H124 PolarHBondContact O-N 3.08Å; L120-W171 HydrophobicContact CD2-CH2 4.09Å; L120-H229 VanDerWaalsContact CD1-CE1 3.47Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.24Å |
| 121 | C | 98.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.2 | -172 | 0 | 0 | 0 | 0 | 111.9 | S117 G118 Q119 L125 H229 I230 M233 | S117-C121 WeakPolarHBondContact O-CB 3.49Å; S117-C121 PolarHBondContact O-N 2.99Å; G118-C121 WeakPolarHBondContact O-CB 3.43Å; G118-C121 PolarHBondContact O-N 3.04Å; Q119-C121 VanDerWaalsContact C-N 3.34Å; Q119-C121 PolarHBondContact O-N 2.76Å; C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.16Å; C121-H229 HydrophobicContact CB-CB 3.9Å; C121-I230 VanDerWaalsContact SG-CG1 3.52Å; C121-M233 HydrophobicContact CB-SD 3.78Å |
| 122 | V | 98.2 | Very high | 97.1 | Very high | 47 Ų | 47 | 36 Ų | 36 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -48.4 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | V92 G118 Q119 L125 V126 | V92-V122 HydrophobicContact CG1-CB 4.33Å; V92-V122 HydrophobicContact CG1-CG1 4.44Å; V92-V122 HydrophobicContact CG1-CG2 4.03Å; V92-V122 HydrophobicContact CG2-CG1 4.05Å; G118-V122 WeakPolarHBondContact O-CG2 3.36Å; G118-V122 PolarHBondContact O-N 3.31Å; Q119-V122 PolarHBondContact O-N 3.38Å; V122-L125 PolarHBondContact O-N 3.34Å; V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3.14Å |
| 123 | F | 98.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 178.1 | 170.5 | -106.6 | 0 | 0 | 0 | 112.9 | Q119 L125 V126 S127 Q167 Y170 W171 Y222 | Q119-F123 PolarHBondContact O-N 3.4Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3Å; F123-V126 PolarHBondContact O-N 2.89Å; F123-S127 WeakPolarHBondContact CD2-OG 3.22Å; F123-S127 WeakPolarHBondContact CE2-OG 3.31Å; F123-S127 WeakPolarHBondContact CZ-OG 3.16Å; F123-S127 VanDerWaalsContact O-CB 3.23Å; F123-S127 WeakPolarHBondContact O-CB 3.42Å; F123-S127 PolarHBondContact O-N 2.91Å; F123-S127 PolarHBondContact O-OG 3.41Å; F123-Q167 VanDerWaalsContact CZ-OE1 3.26Å; F123-Y170 HydrophobicContact CB-CD2 4.5Å; F123-Y170 HydrophobicContact CB-CE1 4.17Å; F123-Y170 HydrophobicContact CB-CE2 3.68Å; F123-Y170 VanDerWaalsContact CB-CZ 3.47Å; F123-Y170 WeakPolarHBondContact CB-OH 3.43Å; F123-Y170 AromaticContact CD1-CD1 3.83Å; F123-Y170 HydrophobicContact CD1-CD1 3.83Å; F123-Y170 AromaticContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE2 4.3Å; F123-Y170 HydrophobicContact CD1-CG 4.46Å; F123-Y170 AromaticContact CD1-CZ 3.62Å; F123-Y170 AromaticContact CD2-CD1 3.69Å; F123-Y170 HydrophobicContact CD2-CD1 3.69Å; F123-Y170 AromaticContact CD2-CD2 3.31Å; F123-Y170 HydrophobicContact CD2-CD2 3.31Å; F123-Y170 AromaticContact CD2-CE1 3.75Å; F123-Y170 HydrophobicContact CD2-CE1 3.75Å; F123-Y170 AromaticContact CD2-CE2 3.37Å; F123-Y170 HydrophobicContact CD2-CE2 3.37Å; F123-Y170 AromaticContact CD2-CG 3.47Å; F123-Y170 HydrophobicContact CD2-CG 3.47Å; F123-Y170 VanDerWaalsContact CD2-CG 3.47Å; F123-Y170 AromaticContact CD2-CZ 3.59Å; F123-Y170 AromaticContact CE1-CD1 3.57Å; F123-Y170 HydrophobicContact CE1-CD1 3.57Å; F123-Y170 AromaticContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CG 4.28Å; F123-Y170 AromaticContact CE2-CD1 3.41Å; F123-Y170 HydrophobicContact CE2-CD1 3.41Å; F123-Y170 VanDerWaalsContact CE2-CD1 3.41Å; F123-Y170 AromaticContact CE2-CD2 3.58Å; F123-Y170 HydrophobicContact CE2-CD2 3.58Å; F123-Y170 AromaticContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 4.06Å; F123-Y170 AromaticContact CE2-CG 3.21Å; F123-Y170 HydrophobicContact CE2-CG 3.21Å; F123-Y170 AromaticContact CG-CD1 3.87Å; F123-Y170 HydrophobicContact CG-CD1 3.87Å; F123-Y170 AromaticContact CG-CD2 3.92Å; F123-Y170 HydrophobicContact CG-CD2 3.92Å; F123-Y170 AromaticContact CG-CE1 3.45Å; F123-Y170 HydrophobicContact CG-CE1 3.45Å; F123-Y170 VanDerWaalsContact CG-CE1 3.45Å; F123-Y170 AromaticContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CE2 3.49Å; F123-Y170 VanDerWaalsContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CG 4.09Å; F123-Y170 AromaticContact CG-CZ 3.23Å; F123-Y170 AromaticContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD2 4.38Å; F123-Y170 AromaticContact CZ-CE1 3.82Å; F123-Y170 HydrophobicContact CZ-CE1 3.82Å; F123-Y170 AromaticContact CZ-CG 3.66Å; F123-Y170 HydrophobicContact CZ-CG 3.66Å; F123-W171 HydrophobicContact CD1-CZ2 4.33Å; F123-W171 AromaticContact CE1-CE2 3.9Å; F123-W171 AromaticContact CE1-CZ2 3.66Å; F123-W171 HydrophobicContact CE1-CZ2 3.66Å; F123-W171 AromaticContact CE1-NE1 3.89Å; F123-W171 HydrophobicContact CZ-CZ2 4.49Å; F123-W171 AromaticContact CZ-NE1 3.9Å; F123-Y222 AromaticContact CE1-CE1 3.99Å; F123-Y222 HydrophobicContact CE1-CE1 3.99Å; F123-Y222 AromaticContact CE1-CZ 3.94Å |
| 124 | H | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -31.5 | -179.9 | -69.3 | -49.9 | 0 | 0 | 0 | 112.1 | L120 S128 W171 Y222 M226 H229 | L120-H124 VanDerWaalsContact O-CB 3.25Å; L120-H124 WeakPolarHBondContact O-CB 3.47Å; L120-H124 PolarHBondContact O-CD2 3.14Å; L120-H124 VanDerWaalsContact O-CG 3.25Å; L120-H124 PolarHBondContact O-N 3.08Å; H124-S128 WeakPolarHBondContact O-CB 3.41Å; H124-S128 PolarHBondContact O-N 3.5Å; H124-S128 PolarHBondContact O-OG 3.22Å; H124-W171 AromaticContact CE1-CZ2 3.99Å; H124-Y222 AromaticContact CE1-CD1 3.49Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.49Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.26Å; H124-Y222 AromaticContact CE1-CE1 3.8Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.45Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.7Å; H124-M226 HydrophobicContact CB-CB 3.87Å; H124-H229 AromaticContact CD2-CD2 3.91Å |
| 125 | L | 98.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 35.7 Ų | 35.7 | 45% | 0.45 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -56.3 | 172.2 | 174 | 62.8 | 0 | 0 | 0 | 111.4 | C121 V122 F123 S127 S128 V129 M226 | C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.48Å; C121-L125 PolarHBondContact O-N 3.16Å; V122-L125 PolarHBondContact O-N 3.34Å; F123-L125 VanDerWaalsContact C-N 3.33Å; F123-L125 PolarHBondContact O-N 3Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.5Å; L125-S128 PolarHBondContact O-N 3.05Å; L125-V129 HydrophobicContact CD1-CG2 4.2Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.25Å; L125-M226 VanDerWaalsContact CA-SD 3.59Å; L125-M226 HydrophobicContact CB-SD 3.87Å; L125-M226 HydrophobicContact CD1-SD 3.64Å; L125-M226 HydrophobicContact CG-SD 4.37Å |
| 126 | V | 98.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 38.2 Ų | 38.2 | 53% | 0.527 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -45.8 | -179.9 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V122 F123 S128 V129 W130 | V122-V126 WeakPolarHBondContact O-CG2 3.49Å; V122-V126 PolarHBondContact O-N 3.14Å; F123-V126 PolarHBondContact O-N 2.89Å; V126-S128 PolarHBondContact O-N 2.97Å; V126-V129 PolarHBondContact O-N 2.94Å; V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.89Å |
| 127 | S | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.7 | -35.3 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | F123 L125 S131 | F123-S127 WeakPolarHBondContact CD2-OG 3.22Å; F123-S127 WeakPolarHBondContact CE2-OG 3.31Å; F123-S127 WeakPolarHBondContact CZ-OG 3.16Å; F123-S127 VanDerWaalsContact O-CB 3.23Å; F123-S127 WeakPolarHBondContact O-CB 3.42Å; F123-S127 PolarHBondContact O-N 2.91Å; F123-S127 PolarHBondContact O-OG 3.41Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.5Å; S127-S131 WeakPolarHBondContact O-CB 3.42Å; S127-S131 PolarHBondContact O-N 3.08Å; S127-S131 PolarHBondContact O-OG 3.34Å |
| 128 | S | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -46.6 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | H124 L125 V126 S131 F132 Y222 L223 | H124-S128 WeakPolarHBondContact O-CB 3.41Å; H124-S128 PolarHBondContact O-N 3.5Å; H124-S128 PolarHBondContact O-OG 3.22Å; L125-S128 PolarHBondContact O-N 3.05Å; V126-S128 PolarHBondContact O-N 2.97Å; S128-S131 PolarHBondContact O-N 3.02Å; S128-S131 PolarHBondContact O-OG 3.16Å; S128-S131 VanDerWaalsContact O-OG 3.05Å; S128-F132 WeakPolarHBondContact O-CB 3.34Å; S128-F132 PolarHBondContact O-N 3.28Å; S128-Y222 VanDerWaalsContact OG-C 3.24Å; S128-Y222 VanDerWaalsContact OG-CB 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.49Å; S128-L223 PolarHBondContact OG-N 3.14Å |
| 129 | V | 98.4 | Very high | 96.9 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.7 | -45.8 | 178.3 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L125 V126 F132 Y133 | L125-V129 HydrophobicContact CD1-CG2 4.2Å; L125-V129 WeakPolarHBondContact O-CG2 3.44Å; L125-V129 PolarHBondContact O-N 3.25Å; V126-V129 PolarHBondContact O-N 2.94Å; V129-F132 PolarHBondContact O-N 3.15Å; V129-Y133 WeakPolarHBondContact O-CB 3.38Å; V129-Y133 PolarHBondContact O-N 3.47Å |
| 130 | W | 98.4 | Very high | 96.5 | Very high | 62 Ų | 62 | 43 Ų | 43 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -47 | 178.4 | -172.9 | 9.5 | 0 | 0 | 0 | 112 | V126 F132 Y133 I134 F162 F163 T166 | V126-W130 WeakPolarHBondContact O-CB 3.46Å; V126-W130 PolarHBondContact O-N 2.89Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 2.97Å; W130-Y133 PolarHBondContact O-N 3.13Å; W130-I134 WeakPolarHBondContact O-CG1 3.47Å; W130-I134 PolarHBondContact O-N 2.95Å; W130-F162 AromaticContact CH2-CD1 3.64Å; W130-F162 HydrophobicContact CH2-CD1 3.64Å; W130-F162 AromaticContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CG 4.29Å; W130-F162 AromaticContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CE1 4.06Å; W130-F162 HydrophobicContact CZ2-CG 4.32Å; W130-F163 AromaticContact CD2-CD2 3.82Å; W130-F163 HydrophobicContact CD2-CD2 3.82Å; W130-F163 AromaticContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 4.08Å; W130-F163 HydrophobicContact CH2-CB 4.42Å; W130-F163 HydrophobicContact CZ2-CB 4.03Å; W130-F163 HydrophobicContact CZ3-CD2 4.48Å; W130-T166 HydrophobicContact CH2-CG2 4.47Å; W130-T166 HydrophobicContact CZ3-CG2 3.99Å |
| 131 | S | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 176.4 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | S127 S128 Y133 I134 L135 C219 | S127-S131 WeakPolarHBondContact O-CB 3.42Å; S127-S131 PolarHBondContact O-N 3.08Å; S127-S131 PolarHBondContact O-OG 3.34Å; S128-S131 PolarHBondContact O-N 3.02Å; S128-S131 PolarHBondContact O-OG 3.16Å; S128-S131 VanDerWaalsContact O-OG 3.05Å; S131-Y133 PolarHBondContact O-N 3.38Å; S131-I134 PolarHBondContact O-N 3.49Å; S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.23Å; S131-L135 PolarHBondContact O-N 3.33Å; S131-C219 WeakPolarHBondContact OG-CA 3.17Å; S131-C219 VanDerWaalsContact OG-CB 3.24Å; S131-C219 WeakPolarHBondContact OG-CB 3.29Å; S131-C219 PolarHBondContact OG-SG 3.36Å; S131-C219 VanDerWaalsContact OG-SG 3.32Å |
| 132 | F | 97.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 51.4 Ų | 51.4 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.9 | -172.8 | -110.6 | 0 | 0 | 0 | 112.3 | S128 V129 W130 L135 I136 L141 | S128-F132 WeakPolarHBondContact O-CB 3.34Å; S128-F132 PolarHBondContact O-N 3.28Å; V129-F132 PolarHBondContact O-N 3.15Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 2.97Å; F132-L135 PolarHBondContact O-N 3.02Å; F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CE1-CD1 3.41Å; F132-I136 VanDerWaalsContact CE1-CD1 3.41Å; F132-I136 HydrophobicContact CE1-CG1 4.43Å; F132-I136 HydrophobicContact CE2-CD1 4.42Å; F132-I136 HydrophobicContact CZ-CD1 3.74Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 WeakPolarHBondContact O-CG1 3.4Å; F132-I136 PolarHBondContact O-N 3.29Å; F132-L141 HydrophobicContact CD2-CD1 4.33Å; F132-L141 HydrophobicContact CE2-CD1 3.85Å |
| 133 | Y | 97.8 | Very high | 94.6 | Very high | 138 Ų | 138 | 55 Ų | 55 | 54% | 0.541 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60 | -44 | 171.9 | 172.9 | -96 | 0 | 0 | 0 | 112.2 | V129 W130 S131 I136 T137 | V129-Y133 WeakPolarHBondContact O-CB 3.38Å; V129-Y133 PolarHBondContact O-N 3.47Å; W130-Y133 PolarHBondContact O-N 3.13Å; S131-Y133 PolarHBondContact O-N 3.38Å; Y133-I136 PolarHBondContact O-N 3.4Å; Y133-T137 HydrophobicContact CD2-CG2 4.28Å; Y133-T137 HydrophobicContact CE1-CG2 4.13Å; Y133-T137 HydrophobicContact CE2-CG2 3.82Å; Y133-T137 WeakPolarHBondContact O-CG2 3.32Å; Y133-T137 PolarHBondContact O-N 2.91Å; Y133-T137 PolarHBondContact O-OG1 3.45Å |
| 134 | I | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 175 | -59.2 | 165.4 | 0 | 0 | 0 | 110.1 | W130 S131 I136 T137 E138 Q159 V160 F163 L215 | W130-I134 WeakPolarHBondContact O-CG1 3.47Å; W130-I134 PolarHBondContact O-N 2.95Å; S131-I134 PolarHBondContact O-N 3.49Å; I134-I136 VanDerWaalsContact C-N 3.26Å; I134-I136 PolarHBondContact O-N 2.89Å; I134-T137 WeakPolarHBondContact CA-OG1 3.32Å; I134-T137 PolarHBondContact O-N 2.92Å; I134-T137 PolarHBondContact O-OG1 3.13Å; I134-E138 HydrophobicContact CG2-CG 3.62Å; I134-E138 VanDerWaalsContact O-CB 3.29Å; I134-E138 WeakPolarHBondContact O-CB 3.33Å; I134-E138 VanDerWaalsContact O-CG 3.22Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.39Å; I134-Q159 HydrophobicContact CD1-CB 4.44Å; I134-Q159 WeakPolarHBondContact CD1-O 3.36Å; I134-Q159 HydrophobicContact CG1-CB 4.21Å; I134-Q159 HydrophobicContact CG1-CG 4.14Å; I134-Q159 HydrophobicContact CG2-CG 4.24Å; I134-V160 HydrophobicContact CG2-CG2 3.77Å; I134-F163 HydrophobicContact CD1-CB 3.64Å; I134-F163 HydrophobicContact CD1-CD2 4.07Å; I134-F163 HydrophobicContact CD1-CG 3.94Å; I134-L215 HydrophobicContact CB-CD2 3.96Å; I134-L215 HydrophobicContact CD1-CD1 4.46Å; I134-L215 HydrophobicContact CG2-CD2 3.42Å; I134-L215 VanDerWaalsContact CG2-CD2 3.42Å |
| 135 | L | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -31.9 | -179.8 | -70 | -178.5 | 0 | 0 | 0 | 113.8 | S131 F132 G139 Y140 L141 L215 V216 C219 | S131-L135 VanDerWaalsContact O-CG 3.27Å; S131-L135 WeakPolarHBondContact O-CG 3.23Å; S131-L135 PolarHBondContact O-N 3.33Å; F132-L135 PolarHBondContact O-N 3.02Å; L135-G139 PolarHBondContact O-N 3.36Å; L135-Y140 HydrophobicContact CD2-CD2 3.76Å; L135-Y140 HydrophobicContact CD2-CG 4.37Å; L135-Y140 PolarHBondContact O-N 2.93Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; L135-L141 HydrophobicContact CB-CD1 4.18Å; L135-L141 HydrophobicContact CB-CD2 4.35Å; L135-L141 HydrophobicContact CB-CG 3.99Å; L135-L141 HydrophobicContact CD1-CD2 4.18Å; L135-L215 HydrophobicContact CD2-CB 4.38Å; L135-L215 HydrophobicContact CD2-CD2 3.75Å; L135-L215 HydrophobicContact CD2-CG 3.84Å; L135-L215 HydrophobicContact CG-CD2 4.35Å; L135-L215 HydrophobicContact CG-CG 4.34Å; L135-V216 HydrophobicContact CD1-CG2 4.27Å; L135-V216 HydrophobicContact CD2-CB 4.42Å; L135-V216 HydrophobicContact CD2-CG2 3.47Å; L135-V216 VanDerWaalsContact CD2-CG2 3.47Å; L135-C219 HydrophobicContact CD1-CB 3.63Å |
| 136 | I | 94.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 39% | 0.39 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.6 | -51 | 172.4 | -69.7 | 171.3 | 0 | 0 | 0 | 110.9 | F132 Y133 I134 E138 G139 L141 | F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CE1-CD1 3.41Å; F132-I136 VanDerWaalsContact CE1-CD1 3.41Å; F132-I136 HydrophobicContact CE1-CG1 4.43Å; F132-I136 HydrophobicContact CE2-CD1 4.42Å; F132-I136 HydrophobicContact CZ-CD1 3.74Å; F132-I136 HydrophobicContact CZ-CG1 4.42Å; F132-I136 WeakPolarHBondContact O-CG1 3.4Å; F132-I136 PolarHBondContact O-N 3.29Å; Y133-I136 PolarHBondContact O-N 3.4Å; I134-I136 VanDerWaalsContact C-N 3.26Å; I134-I136 PolarHBondContact O-N 2.89Å; I136-E138 VanDerWaalsContact C-N 3.29Å; I136-E138 PolarHBondContact O-N 3.49Å; I136-G139 PolarHBondContact O-N 2.91Å; I136-G139 VanDerWaalsContact O-N 3.09Å; I136-L141 HydrophobicContact CG1-CD1 4.16Å |
| 137 | T | 93.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -26.5 | -173.8 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | Y133 I134 Q159 | Y133-T137 HydrophobicContact CD2-CG2 4.28Å; Y133-T137 HydrophobicContact CE1-CG2 4.13Å; Y133-T137 HydrophobicContact CE2-CG2 3.82Å; Y133-T137 WeakPolarHBondContact O-CG2 3.32Å; Y133-T137 PolarHBondContact O-N 2.91Å; Y133-T137 PolarHBondContact O-OG1 3.45Å; I134-T137 WeakPolarHBondContact CA-OG1 3.32Å; I134-T137 PolarHBondContact O-N 2.92Å; I134-T137 PolarHBondContact O-OG1 3.13Å; T137-Q159 PolarHBondContact OG1-NE2 3.3Å |
| 138 | E | 90.6 | Very high | 92.7 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5 | 172.7 | -57.8 | -66.7 | 148.9 | 0 | 0 | 113.9 | I134 I136 Y140 R157 Q159 V160 | I134-E138 HydrophobicContact CG2-CG 3.62Å; I134-E138 VanDerWaalsContact O-CB 3.29Å; I134-E138 WeakPolarHBondContact O-CB 3.33Å; I134-E138 VanDerWaalsContact O-CG 3.22Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.39Å; I136-E138 VanDerWaalsContact C-N 3.29Å; I136-E138 PolarHBondContact O-N 3.49Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 HydrophobicContact CB-CD1 3.72Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 HydrophobicContact CB-CE1 3.36Å; E138-Y140 HydrophobicContact CB-CE2 3.86Å; E138-Y140 HydrophobicContact CB-CG 4.09Å; E138-Y140 HydrophobicContact CG-CE1 4.25Å; E138-Y140 HydrophobicContact CG-CE2 4.15Å; E138-Y140 VanDerWaalsContact O-CD1 3.3Å; E138-Y140 WeakPolarHBondContact O-CD1 3.31Å; E138-Y140 WeakPolarHBondContact O-CE1 3.33Å; E138-Y140 PolarHBondContact O-N 3.25Å; E138-Y140 PolarHBondContact OE2-OH 3.46Å; E138-R157 VanDerWaalsContact CD-CD 3.47Å; E138-R157 WeakPolarHBondContact OE1-CD 3.48Å; E138-R157 IonicContact OE1-NE 3.39Å; E138-R157 WeakPolarHBondContact OE2-CD 3.07Å; E138-R157 IonicContact OE2-NE 3.13Å; E138-R157 PolarHBondContact OE2-NE 2.9Å; E138-Q159 PolarHBondContact OE1-NE2 3.11Å; E138-V160 HydrophobicContact CG-CG2 4.17Å |
| 139 | G | 89.9 | Confident | 92.5 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | trans | 73.6 | 5.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | L135 I136 L141 F142 H143 | L135-G139 PolarHBondContact O-N 3.36Å; I136-G139 PolarHBondContact O-N 2.91Å; I136-G139 VanDerWaalsContact O-N 3.09Å; G139-L141 PolarHBondContact O-N 3.15Å; G139-L141 VanDerWaalsContact O-N 3.08Å; G139-F142 PolarHBondContact O-N 3.25Å; G139-H143 PolarHBondContact O-N 3.5Å | ||
| 140 | Y | 89.4 | Confident | 92.1 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.1 | -172.7 | -61.5 | -10.5 | 0 | 0 | 0 | 114.3 | L135 E138 L147 R212 L215 | L135-Y140 HydrophobicContact CD2-CD2 3.76Å; L135-Y140 HydrophobicContact CD2-CG 4.37Å; L135-Y140 PolarHBondContact O-N 2.93Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; E138-Y140 VanDerWaalsContact C-N 3.28Å; E138-Y140 HydrophobicContact CB-CD1 3.72Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 HydrophobicContact CB-CE1 3.36Å; E138-Y140 HydrophobicContact CB-CE2 3.86Å; E138-Y140 HydrophobicContact CB-CG 4.09Å; E138-Y140 HydrophobicContact CG-CE1 4.25Å; E138-Y140 HydrophobicContact CG-CE2 4.15Å; E138-Y140 VanDerWaalsContact O-CD1 3.3Å; E138-Y140 WeakPolarHBondContact O-CD1 3.31Å; E138-Y140 WeakPolarHBondContact O-CE1 3.33Å; E138-Y140 PolarHBondContact O-N 3.25Å; E138-Y140 PolarHBondContact OE2-OH 3.46Å; Y140-L147 HydrophobicContact CG-CD2 4.44Å; Y140-R212 HydrophobicContact CD2-CB 4.21Å; Y140-R212 HydrophobicContact CD2-CG 4.37Å; Y140-R212 HydrophobicContact CE1-CG 4.01Å; Y140-R212 HydrophobicContact CE2-CB 4.05Å; Y140-R212 HydrophobicContact CE2-CG 3.78Å; Y140-L215 HydrophobicContact CD2-CD2 4.21Å; Y140-L215 HydrophobicContact CE2-CD2 4Å |
| 141 | L | 84.8 | Confident | 91.9 | Very high | 74 Ų | 74 | 58.1 Ų | 58.1 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -28.8 | 175.5 | -63.7 | 176.9 | 0 | 0 | 0 | 113.6 | F132 L135 I136 G139 | F132-L141 HydrophobicContact CD2-CD1 4.33Å; F132-L141 HydrophobicContact CE2-CD1 3.85Å; L135-L141 HydrophobicContact CB-CD1 4.18Å; L135-L141 HydrophobicContact CB-CD2 4.35Å; L135-L141 HydrophobicContact CB-CG 3.99Å; L135-L141 HydrophobicContact CD1-CD2 4.18Å; I136-L141 HydrophobicContact CG1-CD1 4.16Å; G139-L141 PolarHBondContact O-N 3.15Å; G139-L141 VanDerWaalsContact O-N 3.08Å |
| 142 | F | 85.6 | Confident | 91.7 | Very high | 141 Ų | 141 | 59.7 Ų | 59.7 | 62% | 0.618 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -22.3 | -172 | -55.6 | -66.8 | 0 | 0 | 0 | 112.7 | G139 | G139-F142 PolarHBondContact O-N 3.25Š|
| 143 | H | 85.8 | Confident | 91.5 | Very high | 123 Ų | 123 | 55.3 Ų | 55.3 | 57% | 0.569 | 28% | 0.281 | S | S | * | . | trans | -126 | 82 | 178.3 | -56.5 | -69.4 | 0 | 0 | 0 | 110.5 | G139 S145 S146 | G139-H143 PolarHBondContact O-N 3.5Å; H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.09Å; H143-S146 VanDerWaalsContact O-CB 3.23Å; H143-S146 WeakPolarHBondContact O-CB 3.41Å; H143-S146 PolarHBondContact O-N 3.42Å; H143-S146 PolarHBondContact O-OG 3.12Å | ||
| 144 | P | 83.8 | Confident | 91.3 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 44% | 0.442 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -58.2 | -27.1 | -174.4 | -27.7 | 36 | 0 | 0 | 0 | 114.8 | S146 L147 W148 | P144-S146 VanDerWaalsContact C-N 3.33Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 WeakPolarHBondContact O-CD1 3.49Å; P144-L147 WeakPolarHBondContact O-CG 3.33Å; P144-L147 PolarHBondContact O-N 2.88Å; P144-W148 WeakPolarHBondContact O-CZ3 3.44Å |
| 145 | S | 89.5 | Confident | 91.1 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -72.3 | -24.3 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | H143 L147 W148 E149 | H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.09Å; S145-L147 PolarHBondContact O-N 2.95Å; S145-W148 PolarHBondContact O-N 3.17Å; S145-E149 VanDerWaalsContact CB-CD 3.47Å; S145-E149 WeakPolarHBondContact CB-OE1 3.29Å; S145-E149 WeakPolarHBondContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CG 3.32Å; S145-E149 PolarHBondContact O-N 2.94Å; S145-E149 PolarHBondContact OG-OE1 2.97Å; S145-E149 PolarHBondContact OG-OE2 3.45Å |
| 146 | S | 91.3 | Very high | 91 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -58.1 | -17.2 | 172.8 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | H143 P144 W148 R212 | H143-S146 VanDerWaalsContact O-CB 3.23Å; H143-S146 WeakPolarHBondContact O-CB 3.41Å; H143-S146 PolarHBondContact O-N 3.42Å; H143-S146 PolarHBondContact O-OG 3.12Å; P144-S146 VanDerWaalsContact C-N 3.33Å; S146-W148 VanDerWaalsContact C-N 3.27Å; S146-W148 PolarHBondContact O-N 3.43Å; S146-R212 WeakPolarHBondContact O-CD 3.21Å; S146-R212 PolarHBondContact O-NH1 3.34Å |
| 147 | L | 93.4 | Very high | 91 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -67.3 | -23.5 | 175.5 | -59.4 | 179.8 | 0 | 0 | 0 | 113.2 | Y140 P144 S145 H153 R212 V213 V216 L262 | Y140-L147 HydrophobicContact CG-CD2 4.44Å; P144-L147 WeakPolarHBondContact O-CB 3.38Å; P144-L147 WeakPolarHBondContact O-CD1 3.49Å; P144-L147 WeakPolarHBondContact O-CG 3.33Å; P144-L147 PolarHBondContact O-N 2.88Å; S145-L147 PolarHBondContact O-N 2.95Å; L147-H153 PolarHBondContact O-CE1 3.02Å; L147-R212 HydrophobicContact CD2-CB 4.07Å; L147-V213 HydrophobicContact CB-CG2 3.97Å; L147-V213 VanDerWaalsContact O-CG2 3.29Å; L147-V213 WeakPolarHBondContact O-CG2 3.42Å; L147-V216 HydrophobicContact CD1-CG2 4.44Å; L147-V216 HydrophobicContact CD2-CG2 3.74Å; L147-L262 HydrophobicContact CD1-CD2 4.36Å |
| 148 | W | 93.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 19% | 0.186 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -22.3 | 177.7 | 64 | 83.1 | 0 | 0 | 0 | 113.9 | P144 S145 S146 Y151 L265 A266 L271 | P144-W148 WeakPolarHBondContact O-CZ3 3.44Å; S145-W148 PolarHBondContact O-N 3.17Å; S146-W148 VanDerWaalsContact C-N 3.27Å; S146-W148 PolarHBondContact O-N 3.43Å; W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.49Å; W148-Y151 PolarHBondContact O-N 3.06Å; W148-L265 HydrophobicContact CH2-CD1 4.11Å; W148-L265 HydrophobicContact CH2-CD2 3.73Å; W148-L265 HydrophobicContact CH2-CG 3.58Å; W148-L265 HydrophobicContact CZ2-CG 4.48Å; W148-L265 HydrophobicContact CZ3-CD2 3.89Å; W148-L265 HydrophobicContact CZ3-CG 3.71Å; W148-A266 HydrophobicContact CB-CB 4.34Å; W148-A266 HydrophobicContact CD2-CB 4.4Å; W148-A266 VanDerWaalsContact CE3-CA 3.45Å; W148-A266 HydrophobicContact CE3-CB 3.61Å; W148-A266 HydrophobicContact CZ3-CB 4.31Å; W148-L271 HydrophobicContact CB-CD2 3.99Å; W148-L271 HydrophobicContact CB-CG 4.2Å |
| 149 | E | 92.5 | Very high | 91.3 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 42% | 0.416 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 142.4 | 171.6 | -74.4 | 167.8 | -179.2 | 0 | 0 | 111.2 | S145 Y151 H153 R212 | S145-E149 VanDerWaalsContact CB-CD 3.47Å; S145-E149 WeakPolarHBondContact CB-OE1 3.29Å; S145-E149 WeakPolarHBondContact O-CB 3.31Å; S145-E149 WeakPolarHBondContact O-CG 3.32Å; S145-E149 PolarHBondContact O-N 2.94Å; S145-E149 PolarHBondContact OG-OE1 2.97Å; S145-E149 PolarHBondContact OG-OE2 3.45Å; E149-Y151 PolarHBondContact O-N 3.16Å; E149-Y151 VanDerWaalsContact O-N 3.14Å; E149-H153 PolarHBondContact O-NE2 3.42Å; E149-R212 PolarHBondContact O-NH1 2.94Å |
| 150 | N | 91.3 | Very high | 91.6 | Very high | 140 Ų | 140 | 58 Ų | 58 | 75% | 0.749 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 25.8 | -178.3 | -52 | -42.3 | 0 | 0 | 0 | 113.8 | H153 | N150-H153 PolarHBondContact O-CD2 3.18Å; N150-H153 VanDerWaalsContact O-CD2 3.26Å |
| 151 | Y | 93.9 | Very high | 92 | Very high | 12 Ų | 12 | 57 Ų | 57 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | trans | -62.9 | 140.9 | 162.7 | 177.6 | -85.7 | 0 | 0 | 0 | 109.3 | W148 E149 H153 L208 N209 L210 L271 N276 N285 F286 N287 | W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.49Å; W148-Y151 PolarHBondContact O-N 3.06Å; E149-Y151 PolarHBondContact O-N 3.16Å; E149-Y151 VanDerWaalsContact O-N 3.14Å; Y151-H153 PolarHBondContact N-NE2 2.88Å; Y151-L208 WeakPolarHBondContact CE2-O 3.23Å; Y151-L208 PolarHBondContact OH-O 2.79Å; Y151-N209 HydrophobicContact CE2-CB 4.22Å; Y151-N209 WeakPolarHBondContact CE2-O 3.14Å; Y151-L210 HydrophobicContact CD2-CD2 3.94Å; Y151-L210 HydrophobicContact CE2-CD2 3.53Å; Y151-L210 HydrophobicContact CE2-CG 4.11Å; Y151-L271 VanDerWaalsContact CB-CD2 3.44Å; Y151-L271 HydrophobicContact CD1-CD2 3.8Å; Y151-L271 HydrophobicContact CD2-CD1 4.45Å; Y151-L271 HydrophobicContact CD2-CD2 4.03Å; Y151-L271 HydrophobicContact CG-CD2 3.45Å; Y151-L271 VanDerWaalsContact CG-CD2 3.45Å; Y151-N276 PolarHBondContact O-ND2 3.22Å; Y151-N285 WeakPolarHBondContact CE1-OD1 3.41Å; Y151-F286 WeakPolarHBondContact OH-CB 3.38Å; Y151-F286 PolarHBondContact OH-N 3.37Å; Y151-F286 VanDerWaalsContact OH-N 3.15Å; Y151-N287 HydrophobicContact CD1-CB 4.24Å; Y151-N287 HydrophobicContact CE1-CB 3.86Å | ||
| 152 | P | 94.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 21% | 0.208 | 27% | 0.266 | C | S | . | . | cis | -77.9 | 137.8 | 4.5 | 30.4 | -35.3 | 0 | 0 | 0 | 114.5 | V154 N209 L283 G284 N285 | P152-V154 HydrophobicContact CB-CG2 3.85Å; P152-V154 HydrophobicContact CG-CG2 3.88Å; P152-V154 PolarHBondContact O-N 3.41Å; P152-N209 HydrophobicContact CB-CB 4Å; P152-L283 VanDerWaalsContact CG-O 3.28Å; P152-L283 WeakPolarHBondContact CG-O 3.48Å; P152-G284 WeakPolarHBondContact CB-O 3.34Å; P152-N285 HydrophobicContact CG-CB 4.13Å | ||
| 153 | H | 92.2 | Very high | 93.2 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | trans | -83.3 | 54.6 | 178.6 | -54.7 | 138.4 | 0 | 0 | 0 | 112.4 | L147 E149 N150 Y151 H155 L156 R212 | L147-H153 PolarHBondContact O-CE1 3.02Å; E149-H153 PolarHBondContact O-NE2 3.42Å; N150-H153 PolarHBondContact O-CD2 3.18Å; N150-H153 VanDerWaalsContact O-CD2 3.26Å; Y151-H153 PolarHBondContact N-NE2 2.88Å; H153-H155 VanDerWaalsContact C-N 3.28Å; H153-H155 PolarHBondContact O-N 3.28Å; H153-L156 WeakPolarHBondContact O-CD2 3.45Å; H153-R212 VanDerWaalsContact CD2-CZ 3.44Å; H153-R212 WeakPolarHBondContact ND1-CG 3.23Å; H153-R212 PolarHBondContact NE2-NH1 2.62Å | ||
| 154 | V | 93.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | trans | -60 | -35.6 | -174.9 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | Q69 P152 L283 | Q69-V154 HydrophobicContact CG-CG1 4.05Å; P152-V154 HydrophobicContact CB-CG2 3.85Å; P152-V154 HydrophobicContact CG-CG2 3.88Å; P152-V154 PolarHBondContact O-N 3.41Å; V154-L283 WeakPolarHBondContact CG2-O 3.24Å | ||
| 155 | H | 93.4 | Very high | 94.6 | Very high | 99 Ų | 99 | 39.3 Ų | 39.3 | 46% | 0.458 | 19% | 0.189 | S | C | . | . | trans | -94 | 109.6 | -177.9 | -60.8 | 101.7 | 0 | 0 | 0 | 111 | L67 Q69 H153 | L67-H155 HydrophobicContact CB-CB 4.21Å; L67-H155 HydrophobicContact CD1-CB 3.97Å; Q69-H155 PolarHBondContact NE2-NE2 3.07Å; Q69-H155 VanDerWaalsContact NE2-NE2 3.16Å; H153-H155 VanDerWaalsContact C-N 3.28Å; H153-H155 PolarHBondContact O-N 3.28Å | ||
| 156 | L | 94.6 | Very high | 95 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 139.3 | 179.8 | -52.3 | 177.5 | 0 | 0 | 0 | 110.1 | L67 Y68 H153 V160 K161 Y206 S211 | L67-L156 CarbonylContact C-O 3.37Å; Y68-L156 PolarHBondContact N-O 3.38Å; Y68-L156 WeakPolarHBondContact O-CB 3.37Å; Y68-L156 PolarHBondContact O-N 3.16Å; H153-L156 WeakPolarHBondContact O-CD2 3.45Å; L156-V160 HydrophobicContact CB-CB 4.49Å; L156-V160 HydrophobicContact CD2-CG1 4.17Å; L156-K161 HydrophobicContact CB-CB 4.11Å; L156-K161 HydrophobicContact CD1-CB 4.04Å; L156-Y206 HydrophobicContact CD1-CD2 4.3Å; L156-Y206 HydrophobicContact CD1-CE2 3.68Å; L156-S211 VanDerWaalsContact CD2-OG 3.27Å; L156-S211 WeakPolarHBondContact CD2-OG 3.34Å |
| 157 | R | 94.1 | Very high | 95.3 | Very high | 131 Ų | 131 | 37.8 Ų | 37.8 | 49% | 0.494 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 155.8 | 163.9 | -72.9 | 165.5 | -173.5 | -87.7 | 10.1 | 110.1 | L67 E138 Q159 V160 K161 | L67-R157 HydrophobicContact CD2-CG 3.89Å; E138-R157 VanDerWaalsContact CD-CD 3.47Å; E138-R157 WeakPolarHBondContact OE1-CD 3.48Å; E138-R157 IonicContact OE1-NE 3.39Å; E138-R157 WeakPolarHBondContact OE2-CD 3.07Å; E138-R157 IonicContact OE2-NE 3.13Å; E138-R157 PolarHBondContact OE2-NE 2.9Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-Q159 PolarHBondContact O-N 2.94Å; R157-Q159 VanDerWaalsContact O-N 3.16Å; R157-V160 PolarHBondContact O-N 2.99Å; R157-K161 PolarHBondContact O-N 3.03Å; R157-K161 VanDerWaalsContact O-N 3.14Å |
| 158 | F | 94.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 38 Ų | 38 | 42% | 0.421 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -43.3 | -51.9 | 179.3 | 172.8 | -93.6 | 0 | 0 | 0 | 112.7 | P52 Y68 V160 K161 F162 | P52-F158 HydrophobicContact CG-CD2 3.92Å; P52-F158 HydrophobicContact CG-CE2 3.62Å; P52-F158 HydrophobicContact CG-CZ 4.48Å; Y68-F158 HydrophobicContact CD2-CB 4.32Å; Y68-F158 HydrophobicContact CE2-CB 3.72Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; F158-V160 PolarHBondContact O-N 3.17Å; F158-K161 PolarHBondContact O-N 3.42Å; F158-F162 HydrophobicContact CE1-CB 4.24Å; F158-F162 AromaticContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CG 4.3Å; F158-F162 HydrophobicContact CZ-CB 4.22Å; F158-F162 AromaticContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CG 4.05Å; F158-F162 WeakPolarHBondContact O-CB 3.48Å; F158-F162 PolarHBondContact O-N 3.23Å |
| 159 | Q | 95.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | -175.8 | 61.3 | 173.1 | -4.7 | 0 | 0 | 113.7 | I134 T137 E138 R157 F163 | I134-Q159 HydrophobicContact CD1-CB 4.44Å; I134-Q159 WeakPolarHBondContact CD1-O 3.36Å; I134-Q159 HydrophobicContact CG1-CB 4.21Å; I134-Q159 HydrophobicContact CG1-CG 4.14Å; I134-Q159 HydrophobicContact CG2-CG 4.24Å; T137-Q159 PolarHBondContact OG1-NE2 3.3Å; E138-Q159 PolarHBondContact OE1-NE2 3.11Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-Q159 PolarHBondContact O-N 2.94Å; R157-Q159 VanDerWaalsContact O-N 3.16Å; Q159-F163 VanDerWaalsContact O-CB 3.24Å; Q159-F163 WeakPolarHBondContact O-CB 3.39Å; Q159-F163 PolarHBondContact O-N 3.29Å |
| 160 | V | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.7 | -51.9 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | I134 E138 L156 R157 F158 F162 F163 Y164 | I134-V160 HydrophobicContact CG2-CG2 3.77Å; E138-V160 HydrophobicContact CG-CG2 4.17Å; L156-V160 HydrophobicContact CB-CB 4.49Å; L156-V160 HydrophobicContact CD2-CG1 4.17Å; R157-V160 PolarHBondContact O-N 2.99Å; F158-V160 PolarHBondContact O-N 3.17Å; V160-F162 PolarHBondContact O-N 3Å; V160-F163 PolarHBondContact O-N 2.82Å; V160-Y164 HydrophobicContact CG1-CD2 4.29Å; V160-Y164 HydrophobicContact CG1-CE2 4.34Å; V160-Y164 WeakPolarHBondContact O-CD2 3.44Å; V160-Y164 PolarHBondContact O-N 3.22Å |
| 161 | K | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 178.8 | 177.8 | 169 | 177.2 | 162.4 | 0 | 111.1 | P52 Q53 Y68 Q69 D74 L156 R157 F158 F163 Y164 L165 Y206 | P52-K161 HydrophobicContact CB-CD 3.92Å; P52-K161 HydrophobicContact CB-CG 4.21Å; Q53-K161 PolarHBondContact O-NZ 3.32Å; Y68-K161 HydrophobicContact CD1-CD 4.23Å; Y68-K161 HydrophobicContact CG-CD 4.16Å; Q69-K161 PolarHBondContact O-NZ 3.32Å; D74-K161 VanDerWaalsContact CG-CE 3.42Å; D74-K161 WeakPolarHBondContact OD1-CE 3.35Å; D74-K161 IonicContact OD1-NZ 3.79Å; D74-K161 PolarHBondContact OD1-NZ 3.44Å; D74-K161 WeakPolarHBondContact OD2-CE 3.41Å; D74-K161 IonicContact OD2-NZ 2.72Å; D74-K161 PolarHBondContact OD2-NZ 3.12Å; L156-K161 HydrophobicContact CB-CB 4.11Å; L156-K161 HydrophobicContact CD1-CB 4.04Å; R157-K161 PolarHBondContact O-N 3.03Å; R157-K161 VanDerWaalsContact O-N 3.14Å; F158-K161 PolarHBondContact O-N 3.42Å; K161-F163 VanDerWaalsContact C-N 3.33Å; K161-F163 PolarHBondContact O-N 3.02Å; K161-Y164 WeakPolarHBondContact O-CB 3.25Å; K161-Y164 PolarHBondContact O-N 3.45Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; K161-L165 HydrophobicContact CG-CD1 4.24Å; K161-L165 HydrophobicContact CG-CG 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.41Å; K161-L165 PolarHBondContact O-N 2.93Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.28Å; K161-Y206 HydrophobicContact CG-CE2 4.38Å |
| 162 | F | 97.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 27.2 Ų | 27.2 | 15% | 0.149 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -176.3 | -174.2 | -130.4 | 0 | 0 | 0 | 112 | P52 Y81 W130 F158 V160 Y164 L165 T166 | P52-F162 HydrophobicContact CG-CB 4.13Å; P52-F162 HydrophobicContact CG-CD2 4.06Å; P52-F162 HydrophobicContact CG-CG 4.4Å; Y81-F162 HydrophobicContact CD1-CE2 4.28Å; Y81-F162 HydrophobicContact CD1-CZ 4.31Å; Y81-F162 HydrophobicContact CD2-CE2 4.05Å; Y81-F162 AromaticContact CE1-CE2 3.78Å; Y81-F162 HydrophobicContact CE1-CE2 3.78Å; Y81-F162 AromaticContact CE1-CZ 3.62Å; Y81-F162 HydrophobicContact CE1-CZ 3.62Å; Y81-F162 AromaticContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CE2 3.54Å; Y81-F162 HydrophobicContact CE2-CZ 4.23Å; Y81-F162 HydrophobicContact CG-CE2 4.41Å; Y81-F162 AromaticContact CZ-CE2 3.38Å; Y81-F162 AromaticContact CZ-CZ 3.58Å; W130-F162 AromaticContact CH2-CD1 3.64Å; W130-F162 HydrophobicContact CH2-CD1 3.64Å; W130-F162 AromaticContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CE1 3.76Å; W130-F162 HydrophobicContact CH2-CG 4.29Å; W130-F162 AromaticContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CD1 3.57Å; W130-F162 HydrophobicContact CZ2-CE1 4.06Å; W130-F162 HydrophobicContact CZ2-CG 4.32Å; F158-F162 HydrophobicContact CE1-CB 4.24Å; F158-F162 AromaticContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CD1 3.98Å; F158-F162 HydrophobicContact CE1-CG 4.3Å; F158-F162 HydrophobicContact CZ-CB 4.22Å; F158-F162 AromaticContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CD1 3.97Å; F158-F162 HydrophobicContact CZ-CG 4.05Å; F158-F162 WeakPolarHBondContact O-CB 3.48Å; F158-F162 PolarHBondContact O-N 3.23Å; V160-F162 PolarHBondContact O-N 3Å; F162-Y164 PolarHBondContact O-N 3.41Å; F162-L165 PolarHBondContact O-N 3.01Å; F162-T166 PolarHBondContact O-N 3.22Å; F162-T166 PolarHBondContact O-OG1 3.13Å |
| 163 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.5 | -52 | 171.2 | 175.6 | -92.2 | 0 | 0 | 0 | 111.8 | W130 I134 Q159 V160 K161 L165 T166 Q167 L215 L218 Y222 | W130-F163 AromaticContact CD2-CD2 3.82Å; W130-F163 HydrophobicContact CD2-CD2 3.82Å; W130-F163 AromaticContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CE3-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 4.08Å; W130-F163 HydrophobicContact CH2-CB 4.42Å; W130-F163 HydrophobicContact CZ2-CB 4.03Å; W130-F163 HydrophobicContact CZ3-CD2 4.48Å; I134-F163 HydrophobicContact CD1-CB 3.64Å; I134-F163 HydrophobicContact CD1-CD2 4.07Å; I134-F163 HydrophobicContact CD1-CG 3.94Å; Q159-F163 VanDerWaalsContact O-CB 3.24Å; Q159-F163 WeakPolarHBondContact O-CB 3.39Å; Q159-F163 PolarHBondContact O-N 3.29Å; V160-F163 PolarHBondContact O-N 2.82Å; K161-F163 VanDerWaalsContact C-N 3.33Å; K161-F163 PolarHBondContact O-N 3.02Å; F163-L165 PolarHBondContact O-N 3.44Å; F163-T166 PolarHBondContact O-N 3.26Å; F163-Q167 HydrophobicContact CD1-CG 3.87Å; F163-Q167 HydrophobicContact CE1-CG 3.5Å; F163-Q167 HydrophobicContact CE2-CG 4.22Å; F163-Q167 HydrophobicContact CG-CG 4.37Å; F163-Q167 HydrophobicContact CZ-CG 3.7Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.44Å; F163-Q167 PolarHBondContact O-N 3.41Å; F163-Q167 PolarHBondContact O-NE2 3.03Å; F163-L215 HydrophobicContact CD1-CD1 3.48Å; F163-L215 VanDerWaalsContact CD1-CD1 3.48Å; F163-L215 HydrophobicContact CE1-CD1 3.41Å; F163-L215 VanDerWaalsContact CE1-CD1 3.41Å; F163-L215 HydrophobicContact CG-CD1 4.13Å; F163-L215 HydrophobicContact CZ-CD1 4.01Å; F163-L218 HydrophobicContact CE1-CD1 4.09Å; F163-Y222 HydrophobicContact CZ-CE2 4.16Å |
| 164 | Y | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 179.7 | -91.5 | -79.3 | 0 | 0 | 0 | 112.9 | V160 K161 F162 T166 Q167 L168 V202 A205 Y206 S211 G214 L215 L218 | V160-Y164 HydrophobicContact CG1-CD2 4.29Å; V160-Y164 HydrophobicContact CG1-CE2 4.34Å; V160-Y164 WeakPolarHBondContact O-CD2 3.44Å; V160-Y164 PolarHBondContact O-N 3.22Å; K161-Y164 WeakPolarHBondContact O-CB 3.25Å; K161-Y164 PolarHBondContact O-N 3.45Å; K161-Y164 VanDerWaalsContact O-N 3.12Å; F162-Y164 PolarHBondContact O-N 3.41Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.36Å; Y164-Q167 PolarHBondContact O-N 3.2Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.36Å; Y164-V202 HydrophobicContact CD1-CG1 3.71Å; Y164-V202 HydrophobicContact CE1-CG1 4.18Å; Y164-A205 HydrophobicContact CE1-CB 3.93Å; Y164-A205 WeakPolarHBondContact OH-CB 3.47Å; Y164-Y206 HydrophobicContact CD1-CD2 4.13Å; Y164-Y206 HydrophobicContact CD1-CG 4.3Å; Y164-Y206 HydrophobicContact CD2-CD2 4.29Å; Y164-Y206 AromaticContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CG 4.38Å; Y164-S211 PolarHBondContact OH-O 3.11Å; Y164-S211 VanDerWaalsContact OH-O 3.07Å; Y164-G214 VanDerWaalsContact OH-C 3.22Å; Y164-G214 WeakPolarHBondContact OH-CA 3.34Å; Y164-L215 PolarHBondContact OH-N 3.07Å; Y164-L215 VanDerWaalsContact OH-N 3.12Å; Y164-L218 HydrophobicContact CE1-CD1 4.05Å |
| 165 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 177.8 | -58.2 | -171.6 | 0 | 0 | 0 | 111.5 | P52 D74 T77 I78 K161 F162 F163 L168 A169 Y206 | P52-L165 HydrophobicContact CB-CD1 4.32Å; D74-L165 HydrophobicContact CB-CD1 4.16Å; D74-L165 HydrophobicContact CB-CD2 3.79Å; T77-L165 HydrophobicContact CG2-CD1 3.87Å; I78-L165 HydrophobicContact CD1-CD2 3.97Å; I78-L165 HydrophobicContact CG1-CB 4.14Å; I78-L165 HydrophobicContact CG1-CD2 3.98Å; K161-L165 HydrophobicContact CG-CD1 4.24Å; K161-L165 HydrophobicContact CG-CG 4.28Å; K161-L165 WeakPolarHBondContact O-CG 3.41Å; K161-L165 PolarHBondContact O-N 2.93Å; F162-L165 PolarHBondContact O-N 3.01Å; F163-L165 PolarHBondContact O-N 3.44Å; L165-L168 PolarHBondContact O-N 2.92Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 3.01Å; L165-Y206 HydrophobicContact CD2-CE1 4.02Å |
| 166 | T | 98.5 | Very high | 97.5 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 14% | 0.141 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 175.4 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | W130 F162 F163 Y164 A169 Y170 | W130-T166 HydrophobicContact CH2-CG2 4.47Å; W130-T166 HydrophobicContact CZ3-CG2 3.99Å; F162-T166 PolarHBondContact O-N 3.22Å; F162-T166 PolarHBondContact O-OG1 3.13Å; F163-T166 PolarHBondContact O-N 3.26Å; Y164-T166 VanDerWaalsContact C-N 3.34Å; Y164-T166 PolarHBondContact O-N 3.36Å; T166-A169 PolarHBondContact O-N 3.45Å; T166-Y170 PolarHBondContact O-N 2.79Å |
| 167 | Q | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 173.9 | -62.8 | -34.3 | -72.3 | 0 | 0 | 111.1 | F123 F163 Y164 Y170 W171 V202 Y222 | F123-Q167 VanDerWaalsContact CZ-OE1 3.26Å; F163-Q167 HydrophobicContact CD1-CG 3.87Å; F163-Q167 HydrophobicContact CE1-CG 3.5Å; F163-Q167 HydrophobicContact CE2-CG 4.22Å; F163-Q167 HydrophobicContact CG-CG 4.37Å; F163-Q167 HydrophobicContact CZ-CG 3.7Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.44Å; F163-Q167 PolarHBondContact O-N 3.41Å; F163-Q167 PolarHBondContact O-NE2 3.03Å; Y164-Q167 PolarHBondContact O-N 3.2Å; Q167-Y170 PolarHBondContact O-N 3.3Å; Q167-W171 PolarHBondContact O-N 3.38Å; Q167-V202 HydrophobicContact CB-CG1 3.86Å; Q167-V202 HydrophobicContact CB-CG2 4.29Å; Q167-Y222 PolarHBondContact OE1-OH 3.01Å |
| 168 | L | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 19.9 Ų | 19.9 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 176.1 | -68.3 | 172.7 | 0 | 0 | 0 | 111.3 | I78 Y164 L165 Y170 W171 L172 L199 V202 S203 | I78-L168 HydrophobicContact CD1-CB 4.15Å; I78-L168 HydrophobicContact CD1-CD1 3.72Å; I78-L168 HydrophobicContact CG1-CB 4.31Å; I78-L168 HydrophobicContact CG2-CB 4.34Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.36Å; L165-L168 PolarHBondContact O-N 2.92Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; L168-W171 PolarHBondContact O-N 3.36Å; L168-L172 WeakPolarHBondContact O-CB 3.11Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-L199 HydrophobicContact CD2-CD2 4.29Å; L168-V202 HydrophobicContact CD2-CB 3.87Å; L168-V202 HydrophobicContact CD2-CG1 3.54Å; L168-V202 HydrophobicContact CG-CG1 3.66Å; L168-S203 WeakPolarHBondContact CD2-OG 3.29Å |
| 169 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.4 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I78 F82 T85 L165 T166 H173 | I78-A169 HydrophobicContact CG2-CB 4.33Å; I78-A169 WeakPolarHBondContact O-CB 3.46Å; F82-A169 HydrophobicContact CB-CB 4.37Å; T85-A169 PolarHBondContact OG1-O 3.37Å; L165-A169 WeakPolarHBondContact O-CB 3.35Å; L165-A169 PolarHBondContact O-N 3.01Å; T166-A169 PolarHBondContact O-N 3.45Å; A169-H173 PolarHBondContact O-N 2.9Å |
| 170 | Y | 98.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 20.2 Ų | 20.2 | 9% | 0.086 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.6 | -49.5 | 175.1 | -178.1 | -89.7 | 0 | 0 | 0 | 112.1 | T85 F123 T166 Q167 L168 L172 H173 A174 | T85-Y170 HydrophobicContact CG2-CD2 4.21Å; F123-Y170 HydrophobicContact CB-CD2 4.5Å; F123-Y170 HydrophobicContact CB-CE1 4.17Å; F123-Y170 HydrophobicContact CB-CE2 3.68Å; F123-Y170 VanDerWaalsContact CB-CZ 3.47Å; F123-Y170 WeakPolarHBondContact CB-OH 3.43Å; F123-Y170 AromaticContact CD1-CD1 3.83Å; F123-Y170 HydrophobicContact CD1-CD1 3.83Å; F123-Y170 AromaticContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE1 3.36Å; F123-Y170 HydrophobicContact CD1-CE2 4.3Å; F123-Y170 HydrophobicContact CD1-CG 4.46Å; F123-Y170 AromaticContact CD1-CZ 3.62Å; F123-Y170 AromaticContact CD2-CD1 3.69Å; F123-Y170 HydrophobicContact CD2-CD1 3.69Å; F123-Y170 AromaticContact CD2-CD2 3.31Å; F123-Y170 HydrophobicContact CD2-CD2 3.31Å; F123-Y170 AromaticContact CD2-CE1 3.75Å; F123-Y170 HydrophobicContact CD2-CE1 3.75Å; F123-Y170 AromaticContact CD2-CE2 3.37Å; F123-Y170 HydrophobicContact CD2-CE2 3.37Å; F123-Y170 AromaticContact CD2-CG 3.47Å; F123-Y170 HydrophobicContact CD2-CG 3.47Å; F123-Y170 VanDerWaalsContact CD2-CG 3.47Å; F123-Y170 AromaticContact CD2-CZ 3.59Å; F123-Y170 AromaticContact CE1-CD1 3.57Å; F123-Y170 HydrophobicContact CE1-CD1 3.57Å; F123-Y170 AromaticContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CE1 3.56Å; F123-Y170 HydrophobicContact CE1-CG 4.28Å; F123-Y170 AromaticContact CE2-CD1 3.41Å; F123-Y170 HydrophobicContact CE2-CD1 3.41Å; F123-Y170 VanDerWaalsContact CE2-CD1 3.41Å; F123-Y170 AromaticContact CE2-CD2 3.58Å; F123-Y170 HydrophobicContact CE2-CD2 3.58Å; F123-Y170 AromaticContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE1 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 4.06Å; F123-Y170 AromaticContact CE2-CG 3.21Å; F123-Y170 HydrophobicContact CE2-CG 3.21Å; F123-Y170 AromaticContact CG-CD1 3.87Å; F123-Y170 HydrophobicContact CG-CD1 3.87Å; F123-Y170 AromaticContact CG-CD2 3.92Å; F123-Y170 HydrophobicContact CG-CD2 3.92Å; F123-Y170 AromaticContact CG-CE1 3.45Å; F123-Y170 HydrophobicContact CG-CE1 3.45Å; F123-Y170 VanDerWaalsContact CG-CE1 3.45Å; F123-Y170 AromaticContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CE2 3.49Å; F123-Y170 VanDerWaalsContact CG-CE2 3.49Å; F123-Y170 HydrophobicContact CG-CG 4.09Å; F123-Y170 AromaticContact CG-CZ 3.23Å; F123-Y170 AromaticContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD1 3.34Å; F123-Y170 HydrophobicContact CZ-CD2 4.38Å; F123-Y170 AromaticContact CZ-CE1 3.82Å; F123-Y170 HydrophobicContact CZ-CE1 3.82Å; F123-Y170 AromaticContact CZ-CG 3.66Å; F123-Y170 HydrophobicContact CZ-CG 3.66Å; T166-Y170 PolarHBondContact O-N 2.79Å; Q167-Y170 PolarHBondContact O-N 3.3Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; Y170-L172 PolarHBondContact O-N 3.1Å; Y170-H173 AromaticContact CD2-CE1 3.6Å; Y170-H173 AromaticContact CD2-ND1 3.51Å; Y170-H173 AromaticContact CE2-CE1 3.3Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y170-H173 AromaticContact CE2-ND1 3.73Å; Y170-H173 AromaticContact CG-ND1 3.81Å; Y170-H173 AromaticContact CZ-CE1 3.63Å; Y170-H173 PolarHBondContact O-N 3.2Å; Y170-H173 VanDerWaalsContact O-N 3.09Å; Y170-H173 PolarHBondContact O-ND1 3.1Å; Y170-A174 PolarHBondContact O-N 3.24Å |
| 171 | W | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.9 | -24.4 | -178 | -70.1 | 108.9 | 0 | 0 | 0 | 112.8 | L120 F123 H124 Q167 L168 Y194 I195 Y198 L199 Y222 | L120-W171 HydrophobicContact CD2-CH2 4.09Å; F123-W171 HydrophobicContact CD1-CZ2 4.33Å; F123-W171 AromaticContact CE1-CE2 3.9Å; F123-W171 AromaticContact CE1-CZ2 3.66Å; F123-W171 HydrophobicContact CE1-CZ2 3.66Å; F123-W171 AromaticContact CE1-NE1 3.89Å; F123-W171 HydrophobicContact CZ-CZ2 4.49Å; F123-W171 AromaticContact CZ-NE1 3.9Å; H124-W171 AromaticContact CE1-CZ2 3.99Å; Q167-W171 PolarHBondContact O-N 3.38Å; L168-W171 PolarHBondContact O-N 3.36Å; W171-Y194 HydrophobicContact CH2-CD1 4.33Å; W171-Y194 AromaticContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CZ3-CD1 4.12Å; W171-Y194 HydrophobicContact CZ3-CE1 4.08Å; W171-I195 HydrophobicContact CE3-CG1 4.29Å; W171-I195 WeakPolarHBondContact O-CG2 3.49Å; W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 AromaticContact CD2-CD2 3.87Å; W171-Y198 HydrophobicContact CD2-CD2 3.87Å; W171-Y198 AromaticContact CD2-CG 3.72Å; W171-Y198 HydrophobicContact CD2-CG 3.72Å; W171-Y198 AromaticContact CE2-CD1 3.75Å; W171-Y198 AromaticContact CE2-CD2 3.54Å; W171-Y198 AromaticContact CE2-CG 3.33Å; W171-Y198 AromaticContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CG 4.21Å; W171-Y198 HydrophobicContact CG-CG 4.25Å; W171-Y198 AromaticContact CH2-CD2 3.35Å; W171-Y198 HydrophobicContact CH2-CD2 3.35Å; W171-Y198 AromaticContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CG 4.06Å; W171-Y198 AromaticContact CZ2-CD1 3.86Å; W171-Y198 HydrophobicContact CZ2-CD1 3.86Å; W171-Y198 AromaticContact CZ2-CD2 3.29Å; W171-Y198 HydrophobicContact CZ2-CD2 3.29Å; W171-Y198 AromaticContact CZ2-CE1 3.96Å; W171-Y198 HydrophobicContact CZ2-CE1 3.96Å; W171-Y198 AromaticContact CZ2-CE2 3.37Å; W171-Y198 HydrophobicContact CZ2-CE2 3.37Å; W171-Y198 AromaticContact CZ2-CG 3.53Å; W171-Y198 HydrophobicContact CZ2-CG 3.53Å; W171-Y198 AromaticContact CZ2-CZ 3.7Å; W171-Y198 AromaticContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CE2 4.07Å; W171-Y198 HydrophobicContact CZ3-CG 4.36Å; W171-Y198 AromaticContact NE1-CD1 3.68Å; W171-Y198 AromaticContact NE1-CG 3.61Å; W171-L199 HydrophobicContact CB-CD2 3.55Å; W171-L199 HydrophobicContact CB-CG 3.84Å; W171-Y222 HydrophobicContact CZ2-CE1 4.25Å; W171-Y222 PolarHBondContact NE1-OH 2.67Å |
| 172 | L | 98.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 28.8 Ų | 28.8 | 20% | 0.199 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.5 | -41.1 | 167.9 | -70.3 | 168.5 | 0 | 0 | 0 | 112.4 | W75 I78 F82 L168 Y170 A174 L175 P176 L199 | W75-L172 HydrophobicContact CZ3-CD1 3.9Å; I78-L172 HydrophobicContact CG2-CD1 3.49Å; I78-L172 VanDerWaalsContact CG2-CD1 3.49Å; F82-L172 HydrophobicContact CD2-CB 3.78Å; F82-L172 HydrophobicContact CE2-CB 4.25Å; L168-L172 WeakPolarHBondContact O-CB 3.11Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; Y170-L172 PolarHBondContact O-N 3.1Å; L172-A174 PolarHBondContact O-N 3.01Å; L172-L175 HydrophobicContact CD2-CD1 4.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 3.03Å; L172-P176 WeakPolarHBondContact O-CD 3.41Å; L172-L199 HydrophobicContact CD2-CD1 4Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 3.84Å |
| 173 | H | 98 | Very high | 96.5 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -30.3 | 178.9 | 111.6 | -82.6 | 0 | 0 | 0 | 112.4 | F82 T85 I86 H89 A169 Y170 L175 P176 E177 | F82-H173 HydrophobicContact CD2-CB 4.07Å; F82-H173 HydrophobicContact CE2-CB 4.42Å; T85-H173 WeakPolarHBondContact OG1-CB 3.32Å; I86-H173 HydrophobicContact CG1-CB 4.17Å; H89-H173 AromaticContact CE1-NE2 3.9Å; H89-H173 AromaticContact CG-NE2 3.65Å; H89-H173 AromaticContact ND1-CD2 3.93Å; H89-H173 AromaticContact ND1-CE1 3.77Å; H89-H173 AromaticContact ND1-NE2 2.87Å; H89-H173 PolarHBondContact ND1-NE2 2.9Å; A169-H173 PolarHBondContact O-N 2.9Å; Y170-H173 AromaticContact CD2-CE1 3.6Å; Y170-H173 AromaticContact CD2-ND1 3.51Å; Y170-H173 AromaticContact CE2-CE1 3.3Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.35Å; Y170-H173 AromaticContact CE2-ND1 3.73Å; Y170-H173 AromaticContact CG-ND1 3.81Å; Y170-H173 AromaticContact CZ-CE1 3.63Å; Y170-H173 PolarHBondContact O-N 3.2Å; Y170-H173 VanDerWaalsContact O-N 3.09Å; Y170-H173 PolarHBondContact O-ND1 3.1Å; H173-L175 PolarHBondContact O-N 2.92Å; H173-L175 VanDerWaalsContact O-N 3.16Å; H173-P176 WeakPolarHBondContact O-CD 3.47Å; H173-P176 VanDerWaalsContact O-CG 3.3Å; H173-P176 WeakPolarHBondContact O-CG 3.29Å; H173-E177 WeakPolarHBondContact O-CB 3.14Å; H173-E177 PolarHBondContact O-N 3.37Å |
| 174 | A | 97.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 12% | 0.124 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -20.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y170 L172 L178 I195 | Y170-A174 PolarHBondContact O-N 3.24Å; L172-A174 PolarHBondContact O-N 3.01Å; A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.92Å; A174-I195 HydrophobicContact CB-CD1 3.62Å; A174-I195 HydrophobicContact CB-CG1 3.81Å |
| 175 | L | 97.6 | Very high | 95.9 | Very high | 63 Ų | 63 | 42 Ų | 42 | 33% | 0.33 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.9 | -57.8 | 179 | -63 | 172 | 0 | 0 | 0 | 113.5 | L172 H173 E177 L178 L192 I195 | L172-L175 HydrophobicContact CD2-CD1 4.28Å; L172-L175 WeakPolarHBondContact O-CB 3.47Å; L172-L175 PolarHBondContact O-N 3.03Å; H173-L175 PolarHBondContact O-N 2.92Å; H173-L175 VanDerWaalsContact O-N 3.16Å; L175-E177 PolarHBondContact O-N 3Å; L175-L178 WeakPolarHBondContact O-CB 3.14Å; L175-L178 PolarHBondContact O-N 3.15Å; L175-L192 HydrophobicContact CD2-CD1 3.52Å; L175-I195 HydrophobicContact CD2-CB 4.47Å; L175-I195 HydrophobicContact CD2-CD1 4.17Å; L175-I195 HydrophobicContact CD2-CG2 3.77Å; L175-I195 HydrophobicContact CG-CG2 4.08Å |
| 176 | P | 96.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -26.8 | 173.2 | 28.6 | -37.7 | 0 | 0 | 0 | 112.3 | F82 I86 L172 H173 L178 Y179 F180 | F82-P176 HydrophobicContact CE2-CG 3.96Å; F82-P176 HydrophobicContact CZ-CG 3.87Å; I86-P176 HydrophobicContact CD1-CG 4.41Å; L172-P176 WeakPolarHBondContact O-CD 3.41Å; H173-P176 WeakPolarHBondContact O-CD 3.47Å; H173-P176 VanDerWaalsContact O-CG 3.3Å; H173-P176 WeakPolarHBondContact O-CG 3.29Å; P176-L178 PolarHBondContact O-N 3.36Å; P176-Y179 WeakPolarHBondContact O-CA 3.25Å; P176-Y179 VanDerWaalsContact O-CB 3.31Å; P176-Y179 WeakPolarHBondContact O-CB 3.45Å; P176-Y179 PolarHBondContact O-N 3.43Å; P176-F180 HydrophobicContact CB-CD2 4.45Å; P176-F180 HydrophobicContact CB-CE2 3.86Å; P176-F180 HydrophobicContact CB-CZ 4.02Å; P176-F180 HydrophobicContact CG-CE2 4.43Å; P176-F180 PolarHBondContact O-N 2.99Å |
| 177 | E | 95.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -31.5 | 176.7 | -166.6 | 59.6 | -154.5 | 0 | 0 | 112.4 | H89 H173 L175 Y179 F180 Q181 | H89-E177 IonicContact CD2-OE1 2.67Å; H89-E177 PolarHBondContact CD2-OE1 2.91Å; H89-E177 IonicContact CE1-OE1 2.91Å; H89-E177 IonicContact NE2-OE1 2.68Å; H89-E177 PolarHBondContact NE2-OE1 2.58Å; H173-E177 WeakPolarHBondContact O-CB 3.14Å; H173-E177 PolarHBondContact O-N 3.37Å; L175-E177 PolarHBondContact O-N 3Å; E177-Y179 PolarHBondContact O-N 3.22Å; E177-F180 PolarHBondContact O-N 3.26Å; E177-Q181 HydrophobicContact CG-CG 3.97Å; E177-Q181 WeakPolarHBondContact O-CB 3.36Å; E177-Q181 WeakPolarHBondContact O-CG 3.38Å; E177-Q181 PolarHBondContact O-N 2.87Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.37Å; E177-Q181 PolarHBondContact OE1-NE2 3.42Å |
| 178 | L | 95.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.8 | -35 | 171.2 | -56.2 | -172.6 | 0 | 0 | 0 | 112.2 | A174 L175 P176 V183 I188 Q191 I195 | A174-L178 WeakPolarHBondContact O-CG 3.49Å; A174-L178 PolarHBondContact O-N 2.92Å; L175-L178 WeakPolarHBondContact O-CB 3.14Å; L175-L178 PolarHBondContact O-N 3.15Å; P176-L178 PolarHBondContact O-N 3.36Å; L178-V183 HydrophobicContact CB-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.21Å; L178-V183 WeakPolarHBondContact O-CB 3.29Å; L178-V183 WeakPolarHBondContact O-CG2 3.15Å; L178-V183 PolarHBondContact O-N 3.1Å; L178-I188 HydrophobicContact CD1-CG2 4.26Å; L178-Q191 HydrophobicContact CD2-CB 3.86Å; L178-I195 HydrophobicContact CD1-CD1 4.32Å; L178-I195 HydrophobicContact CD2-CD1 4.27Å; L178-I195 HydrophobicContact CG-CD1 4.44Å |
| 179 | Y | 94.3 | Very high | 95 | Very high | 110 Ų | 110 | 55 Ų | 55 | 43% | 0.431 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -81.7 | -45.9 | 178.5 | 175.8 | -95.5 | 0 | 0 | 0 | 111.7 | Q15 I19 P176 E177 Q181 K182 | Q15-Y179 VanDerWaalsContact CG-OH 3.28Å; Q15-Y179 WeakPolarHBondContact CG-OH 3.19Å; Q15-Y179 PolarHBondContact NE2-OH 3.22Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.13Å; I19-Y179 HydrophobicContact CD1-CD1 4.36Å; I19-Y179 HydrophobicContact CD1-CE1 3.87Å; I19-Y179 HydrophobicContact CG1-CD1 4.26Å; I19-Y179 HydrophobicContact CG1-CE1 3.81Å; P176-Y179 WeakPolarHBondContact O-CA 3.25Å; P176-Y179 VanDerWaalsContact O-CB 3.31Å; P176-Y179 WeakPolarHBondContact O-CB 3.45Å; P176-Y179 PolarHBondContact O-N 3.43Å; E177-Y179 PolarHBondContact O-N 3.22Å; Y179-Q181 PolarHBondContact O-N 3.03Å; Y179-K182 PolarHBondContact O-N 2.86Å |
| 180 | F | 93.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 13% | 0.132 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.6 | -58.7 | -31.9 | 0 | 0 | 0 | 112.2 | L18 I19 H22 I86 P176 E177 K182 | L18-F180 HydrophobicContact CD2-CD1 4.47Å; L18-F180 HydrophobicContact CD2-CE1 3.74Å; I19-F180 HydrophobicContact CG1-CD1 4.35Å; I19-F180 VanDerWaalsContact CG2-O 3.27Å; I19-F180 WeakPolarHBondContact CG2-O 3.28Å; H22-F180 HydrophobicContact CB-CD1 4.27Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.05Å; H22-F180 HydrophobicContact CB-CE2 4.09Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 3.95Å; H22-F180 AromaticContact CD2-CD2 3.72Å; H22-F180 AromaticContact CD2-CE2 3.92Å; H22-F180 AromaticContact CG-CD2 3.91Å; I86-F180 HydrophobicContact CG2-CE2 4.48Å; P176-F180 HydrophobicContact CB-CD2 4.45Å; P176-F180 HydrophobicContact CB-CE2 3.86Å; P176-F180 HydrophobicContact CB-CZ 4.02Å; P176-F180 HydrophobicContact CG-CE2 4.43Å; P176-F180 PolarHBondContact O-N 2.99Å; E177-F180 PolarHBondContact O-N 3.26Å; F180-K182 PolarHBondContact O-N 2.94Å |
| 181 | Q | 90.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -6.4 | 175.6 | -60.8 | -170.5 | -0.2 | 0 | 0 | 114.2 | H89 E177 Y179 V183 | H89-Q181 PolarHBondContact CE1-NE2 3.02Å; H89-Q181 PolarHBondContact NE2-NE2 3.38Å; E177-Q181 HydrophobicContact CG-CG 3.97Å; E177-Q181 WeakPolarHBondContact O-CB 3.36Å; E177-Q181 WeakPolarHBondContact O-CG 3.38Å; E177-Q181 PolarHBondContact O-N 2.87Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.37Å; E177-Q181 PolarHBondContact OE1-NE2 3.42Å; Y179-Q181 PolarHBondContact O-N 3.03Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 HydrophobicContact CB-CG2 4.1Å; Q181-V183 PolarHBondContact O-N 2.76Å |
| 182 | K | 91.3 | Very high | 94.5 | Very high | 101 Ų | 101 | 63.8 Ų | 63.8 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 49.8 | -173 | -53 | -175.9 | -172.5 | -178.4 | 0 | 111.5 | E16 I19 Y179 F180 R184 | E16-K182 IonicContact OE1-NZ 2.88Å; E16-K182 PolarHBondContact OE1-NZ 2.67Å; E16-K182 IonicContact OE2-NZ 2.89Å; E16-K182 PolarHBondContact OE2-NZ 2.64Å; I19-K182 HydrophobicContact CD1-CG 4.41Å; Y179-K182 PolarHBondContact O-N 2.86Å; F180-K182 PolarHBondContact O-N 2.94Å; K182-R184 PolarHBondContact O-N 2.99Å |
| 183 | V | 90.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 66.5 Ų | 66.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | trans | -55.1 | 136.6 | 178.5 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | L178 Q181 E187 I188 Q191 | L178-V183 HydrophobicContact CB-CG2 4.39Å; L178-V183 HydrophobicContact CD2-CG2 4.21Å; L178-V183 WeakPolarHBondContact O-CB 3.29Å; L178-V183 WeakPolarHBondContact O-CG2 3.15Å; L178-V183 PolarHBondContact O-N 3.1Å; Q181-V183 VanDerWaalsContact C-N 3.32Å; Q181-V183 HydrophobicContact CB-CG2 4.1Å; Q181-V183 PolarHBondContact O-N 2.76Å; V183-E187 HydrophobicContact CG1-CB 3.95Å; V183-I188 HydrophobicContact CB-CG1 4.3Å; V183-I188 HydrophobicContact CG1-CG1 3.93Å; V183-Q191 VanDerWaalsContact CG1-NE2 3.35Å | ||
| 184 | R | 91.4 | Very high | 94.2 | Very high | 109 Ų | 109 | 67.5 Ų | 67.5 | 41% | 0.411 | 32% | 0.316 | S | S | . | . | trans | -67.4 | 140 | -177 | -53.9 | -168 | -57.6 | -76 | -3.7 | 110.2 | K182 E186 E187 I188 | K182-R184 PolarHBondContact O-N 2.99Å; R184-E186 VanDerWaalsContact CB-CD 3.46Å; R184-E186 WeakPolarHBondContact CB-OE1 3.22Å; R184-E186 VanDerWaalsContact CB-OE2 3.26Å; R184-E186 WeakPolarHBondContact CB-OE2 3.38Å; R184-E186 WeakPolarHBondContact CD-OE1 3.35Å; R184-E186 IonicContact CZ-OE1 2.64Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 3.12Å; R184-E186 IonicContact NH2-OE1 3.85Å; R184-E186 PolarHBondContact O-N 3.31Å; R184-E186 VanDerWaalsContact O-N 3.09Å; R184-E187 IonicContact CZ-OE1 3.54Å; R184-E187 IonicContact NH1-OE1 3.05Å; R184-E187 VanDerWaalsContact NH2-CD 3.35Å; R184-E187 IonicContact NH2-OE1 3.25Å; R184-E187 PolarHBondContact NH2-OE1 2.68Å; R184-E187 PolarHBondContact O-N 3.05Å; R184-I188 PolarHBondContact O-N 2.79Å | ||
| 185 | K | 92.5 | Very high | 94.2 | Very high | 184 Ų | 184 | 67.1 Ų | 67.1 | 80% | 0.8 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -34.3 | -170 | -68.7 | -174.5 | 176.9 | -175.8 | 0 | 113.1 | E187 I188 P189 | K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 2.91Å; K185-I188 PolarHBondContact O-N 2.99Å; K185-P189 WeakPolarHBondContact O-CD 3.26Å |
| 186 | E | 94.1 | Very high | 94.2 | Very high | 129 Ų | 129 | 67 Ų | 67 | 60% | 0.603 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.1 | 177.3 | 73.1 | -77.2 | -178 | 0 | 0 | 114.4 | R184 | R184-E186 VanDerWaalsContact CB-CD 3.46Å; R184-E186 WeakPolarHBondContact CB-OE1 3.22Å; R184-E186 VanDerWaalsContact CB-OE2 3.26Å; R184-E186 WeakPolarHBondContact CB-OE2 3.38Å; R184-E186 WeakPolarHBondContact CD-OE1 3.35Å; R184-E186 IonicContact CZ-OE1 2.64Å; R184-E186 IonicContact NE-OE1 2.89Å; R184-E186 PolarHBondContact NE-OE1 3.12Å; R184-E186 IonicContact NH2-OE1 3.85Å; R184-E186 PolarHBondContact O-N 3.31Å; R184-E186 VanDerWaalsContact O-N 3.09Å |
| 187 | E | 91.2 | Very high | 94.3 | Very high | 36 Ų | 36 | 67 Ų | 67 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -22.8 | 176.5 | -61.8 | -165 | 167.2 | 0 | 0 | 113.2 | V183 R184 K185 R190 Q191 | V183-E187 HydrophobicContact CG1-CB 3.95Å; R184-E187 IonicContact CZ-OE1 3.54Å; R184-E187 IonicContact NH1-OE1 3.05Å; R184-E187 VanDerWaalsContact NH2-CD 3.35Å; R184-E187 IonicContact NH2-OE1 3.25Å; R184-E187 PolarHBondContact NH2-OE1 2.68Å; R184-E187 PolarHBondContact O-N 3.05Å; K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 2.91Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 IonicContact OE2-NH2 3.37Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.11Å |
| 188 | I | 93.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 67 Ų | 67 | 30% | 0.297 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.6 | -48.5 | -177.9 | -66.2 | 176.5 | 0 | 0 | 0 | 112.5 | L178 V183 R184 K185 R190 Q191 L192 | L178-I188 HydrophobicContact CD1-CG2 4.26Å; V183-I188 HydrophobicContact CB-CG1 4.3Å; V183-I188 HydrophobicContact CG1-CG1 3.93Å; R184-I188 PolarHBondContact O-N 2.79Å; K185-I188 PolarHBondContact O-N 2.99Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 3.13Å; I188-Q191 PolarHBondContact O-N 3.39Å; I188-Q191 VanDerWaalsContact O-N 3.15Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 PolarHBondContact O-N 3.35Å |
| 189 | P | 96.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 67.3 Ų | 67.3 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.6 | -36.4 | -179 | -24.9 | 35 | 0 | 0 | 0 | 113.5 | K185 Q193 | K185-P189 WeakPolarHBondContact O-CD 3.26Å; P189-Q193 WeakPolarHBondContact O-CB 3.5Å; P189-Q193 PolarHBondContact O-N 3.25Å |
| 190 | R | 93.8 | Very high | 94.8 | Very high | 109 Ų | 109 | 66 Ų | 66 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 176.2 | 177.3 | -167.3 | 64.9 | 90 | -11.7 | 111.2 | E116 E187 I188 Y194 | E116-R190 IonicContact OE1-CZ 2.64Å; E116-R190 IonicContact OE1-NH1 3.63Å; E116-R190 PolarHBondContact OE1-NH1 3.08Å; E116-R190 VanDerWaalsContact OE1-NH1 3.13Å; E116-R190 IonicContact OE1-NH2 3.61Å; E116-R190 PolarHBondContact OE1-NH2 3.46Å; E187-R190 WeakPolarHBondContact O-CB 3.4Å; E187-R190 PolarHBondContact O-N 2.91Å; E187-R190 IonicContact OE2-NH2 3.37Å; I188-R190 VanDerWaalsContact C-N 3.29Å; I188-R190 PolarHBondContact O-N 3.13Å; R190-Y194 PolarHBondContact O-N 2.86Å |
| 191 | Q | 95 | Very high | 95 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.4 | -43.2 | -178.5 | -62.8 | -166.3 | 33.1 | 0 | 0 | 110.7 | L178 V183 E187 I188 Q193 Y194 I195 | L178-Q191 HydrophobicContact CD2-CB 3.86Å; V183-Q191 VanDerWaalsContact CG1-NE2 3.35Å; E187-Q191 PolarHBondContact O-N 2.9Å; E187-Q191 VanDerWaalsContact O-N 3.11Å; I188-Q191 PolarHBondContact O-N 3.39Å; I188-Q191 VanDerWaalsContact O-N 3.15Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Q191-Y194 VanDerWaalsContact O-N 3.15Å; Q191-I195 VanDerWaalsContact O-CG1 3.31Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.34Å |
| 192 | L | 96.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 62.8 Ų | 62.8 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.2 | -174.9 | 62.2 | 0 | 0 | 0 | 112.1 | L175 I188 Y194 I195 C196 | L175-L192 HydrophobicContact CD2-CD1 3.52Å; I188-L192 WeakPolarHBondContact O-CB 3.48Å; I188-L192 PolarHBondContact O-N 3.35Å; L192-Y194 VanDerWaalsContact C-N 3.28Å; L192-Y194 PolarHBondContact O-N 3.49Å; L192-I195 PolarHBondContact O-N 3.31Å; L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.92Å; L192-C196 PolarHBondContact O-SG 2.81Å |
| 193 | Q | 95.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 174.5 | -176.8 | 176.5 | 32 | 0 | 0 | 111.8 | P189 Q191 L197 W305 | P189-Q193 WeakPolarHBondContact O-CB 3.5Å; P189-Q193 PolarHBondContact O-N 3.25Å; Q191-Q193 PolarHBondContact O-N 2.89Å; Q193-L197 HydrophobicContact CG-CD1 4.25Å; Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 VanDerWaalsContact O-CG 3.26Å; Q193-L197 WeakPolarHBondContact O-CG 3.41Å; Q193-L197 PolarHBondContact O-N 3.34Å; Q193-W305 HydrophobicContact CG-CZ2 4.32Å |
| 194 | Y | 94.4 | Very high | 96.1 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 179.2 | -170.8 | -115.5 | 0 | 0 | 0 | 111.9 | W171 R190 Q191 L192 L197 Y198 W305 | W171-Y194 HydrophobicContact CH2-CD1 4.33Å; W171-Y194 AromaticContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CH2-CE1 3.83Å; W171-Y194 HydrophobicContact CZ3-CD1 4.12Å; W171-Y194 HydrophobicContact CZ3-CE1 4.08Å; R190-Y194 PolarHBondContact O-N 2.86Å; Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 2.96Å; Q191-Y194 VanDerWaalsContact O-N 3.15Å; L192-Y194 VanDerWaalsContact C-N 3.28Å; L192-Y194 PolarHBondContact O-N 3.49Å; Y194-L197 PolarHBondContact O-N 2.82Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 HydrophobicContact CD2-CE2 4.27Å; Y194-Y198 HydrophobicContact CE1-CD2 4.42Å; Y194-Y198 AromaticContact CE1-CE2 3.8Å; Y194-Y198 HydrophobicContact CE1-CE2 3.8Å; Y194-Y198 AromaticContact CE2-CE2 3.75Å; Y194-Y198 HydrophobicContact CE2-CE2 3.75Å; Y194-Y198 AromaticContact CZ-CE2 3.5Å; Y194-Y198 VanDerWaalsContact CZ-CE2 3.5Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.39Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 PolarHBondContact OH-OH 3.03Å; Y194-W305 HydrophobicContact CD2-CH2 4.34Å; Y194-W305 HydrophobicContact CD2-CZ3 4.47Å |
| 195 | I | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 175.7 | -67.1 | 162.6 | 0 | 0 | 0 | 111 | W171 A174 L175 L178 Q191 L192 L197 Y198 L199 | W171-I195 HydrophobicContact CE3-CG1 4.29Å; W171-I195 WeakPolarHBondContact O-CG2 3.49Å; A174-I195 HydrophobicContact CB-CD1 3.62Å; A174-I195 HydrophobicContact CB-CG1 3.81Å; L175-I195 HydrophobicContact CD2-CB 4.47Å; L175-I195 HydrophobicContact CD2-CD1 4.17Å; L175-I195 HydrophobicContact CD2-CG2 3.77Å; L175-I195 HydrophobicContact CG-CG2 4.08Å; L178-I195 HydrophobicContact CD1-CD1 4.32Å; L178-I195 HydrophobicContact CD2-CD1 4.27Å; L178-I195 HydrophobicContact CG-CD1 4.44Å; Q191-I195 VanDerWaalsContact O-CG1 3.31Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.34Å; L192-I195 PolarHBondContact O-N 3.31Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.32Å; I195-Y198 PolarHBondContact O-N 2.9Å; I195-Y198 VanDerWaalsContact O-N 3.16Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 PolarHBondContact O-N 3.35Å |
| 196 | C | 98.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 42% | 0.419 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.2 | -36.4 | 179.5 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | L192 L199 L200 | L192-C196 WeakPolarHBondContact O-CB 3.28Å; L192-C196 PolarHBondContact O-N 2.92Å; L192-C196 PolarHBondContact O-SG 2.81Å; C196-L199 PolarHBondContact O-N 3.4Å; C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 2.87Å |
| 197 | L | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -43.9 | 175 | -77.9 | 169.2 | 0 | 0 | 0 | 111.7 | Q193 Y194 I195 H201 T302 W305 | Q193-L197 HydrophobicContact CG-CD1 4.25Å; Q193-L197 WeakPolarHBondContact O-CB 3.44Å; Q193-L197 VanDerWaalsContact O-CG 3.26Å; Q193-L197 WeakPolarHBondContact O-CG 3.41Å; Q193-L197 PolarHBondContact O-N 3.34Å; Y194-L197 PolarHBondContact O-N 2.82Å; I195-L197 VanDerWaalsContact C-N 3.29Å; I195-L197 PolarHBondContact O-N 3.32Å; L197-H201 PolarHBondContact O-N 3.5Å; L197-H201 PolarHBondContact O-ND1 3.15Å; L197-T302 HydrophobicContact CD1-CG2 4.48Å; L197-T302 HydrophobicContact CD2-CG2 4.15Å; L197-W305 HydrophobicContact CD1-CD2 4.38Å; L197-W305 HydrophobicContact CD1-CE3 3.76Å; L197-W305 HydrophobicContact CD1-CH2 3.99Å; L197-W305 HydrophobicContact CD1-CZ3 3.54Å |
| 198 | Y | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.6 | -48 | 175.4 | -82.8 | -73.7 | 0 | 0 | 0 | 112.6 | W171 Y194 I195 L200 H201 V202 Q221 Y222 | W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 AromaticContact CD2-CD2 3.87Å; W171-Y198 HydrophobicContact CD2-CD2 3.87Å; W171-Y198 AromaticContact CD2-CG 3.72Å; W171-Y198 HydrophobicContact CD2-CG 3.72Å; W171-Y198 AromaticContact CE2-CD1 3.75Å; W171-Y198 AromaticContact CE2-CD2 3.54Å; W171-Y198 AromaticContact CE2-CG 3.33Å; W171-Y198 AromaticContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CD2 3.89Å; W171-Y198 HydrophobicContact CE3-CG 4.21Å; W171-Y198 HydrophobicContact CG-CG 4.25Å; W171-Y198 AromaticContact CH2-CD2 3.35Å; W171-Y198 HydrophobicContact CH2-CD2 3.35Å; W171-Y198 AromaticContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CE2 3.37Å; W171-Y198 HydrophobicContact CH2-CG 4.06Å; W171-Y198 AromaticContact CZ2-CD1 3.86Å; W171-Y198 HydrophobicContact CZ2-CD1 3.86Å; W171-Y198 AromaticContact CZ2-CD2 3.29Å; W171-Y198 HydrophobicContact CZ2-CD2 3.29Å; W171-Y198 AromaticContact CZ2-CE1 3.96Å; W171-Y198 HydrophobicContact CZ2-CE1 3.96Å; W171-Y198 AromaticContact CZ2-CE2 3.37Å; W171-Y198 HydrophobicContact CZ2-CE2 3.37Å; W171-Y198 AromaticContact CZ2-CG 3.53Å; W171-Y198 HydrophobicContact CZ2-CG 3.53Å; W171-Y198 AromaticContact CZ2-CZ 3.7Å; W171-Y198 AromaticContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CD2 3.65Å; W171-Y198 HydrophobicContact CZ3-CE2 4.07Å; W171-Y198 HydrophobicContact CZ3-CG 4.36Å; W171-Y198 AromaticContact NE1-CD1 3.68Å; W171-Y198 AromaticContact NE1-CG 3.61Å; Y194-Y198 HydrophobicContact CD1-CE2 4.31Å; Y194-Y198 HydrophobicContact CD2-CE2 4.27Å; Y194-Y198 HydrophobicContact CE1-CD2 4.42Å; Y194-Y198 AromaticContact CE1-CE2 3.8Å; Y194-Y198 HydrophobicContact CE1-CE2 3.8Å; Y194-Y198 AromaticContact CE2-CE2 3.75Å; Y194-Y198 HydrophobicContact CE2-CE2 3.75Å; Y194-Y198 AromaticContact CZ-CE2 3.5Å; Y194-Y198 VanDerWaalsContact CZ-CE2 3.5Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.39Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 PolarHBondContact OH-OH 3.03Å; I195-Y198 PolarHBondContact O-N 2.9Å; I195-Y198 VanDerWaalsContact O-N 3.16Å; Y198-L200 PolarHBondContact O-N 3.04Å; Y198-H201 PolarHBondContact O-N 3.07Å; Y198-V202 WeakPolarHBondContact O-CB 3.5Å; Y198-V202 WeakPolarHBondContact O-CG2 3.02Å; Y198-V202 PolarHBondContact O-N 2.87Å; Y198-Q221 HydrophobicContact CE1-CG 3.87Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.37Å; Y198-Q221 PolarHBondContact OH-NE2 2.85Å; Y198-Y222 HydrophobicContact CD1-CE1 4.06Å; Y198-Y222 HydrophobicContact CE1-CD1 4.11Å; Y198-Y222 AromaticContact CE1-CE1 3.43Å; Y198-Y222 HydrophobicContact CE1-CE1 3.43Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.43Å |
| 199 | L | 98.7 | Very high | 97.1 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.6 | -42.9 | 176.8 | -70.6 | 173 | 0 | 0 | 0 | 111.4 | L168 W171 L172 I195 C196 S203 | L168-L199 HydrophobicContact CD2-CD2 4.29Å; W171-L199 HydrophobicContact CB-CD2 3.55Å; W171-L199 HydrophobicContact CB-CG 3.84Å; L172-L199 HydrophobicContact CD2-CD1 4Å; L172-L199 HydrophobicContact CD2-CD2 4.02Å; L172-L199 HydrophobicContact CG-CD2 3.84Å; I195-L199 HydrophobicContact CG2-CD1 3.85Å; I195-L199 HydrophobicContact CG2-CG 4.34Å; I195-L199 PolarHBondContact O-N 3.35Å; C196-L199 PolarHBondContact O-N 3.4Å; L199-S203 WeakPolarHBondContact O-CB 3.46Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 PolarHBondContact O-OG 3.17Å |
| 200 | L | 98.5 | Very high | 97.1 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 44% | 0.44 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.4 | -47.6 | 178.6 | 180 | 59.4 | 0 | 0 | 0 | 112.4 | C196 Y198 A204 L298 | C196-L200 WeakPolarHBondContact O-CB 3.34Å; C196-L200 PolarHBondContact O-N 2.87Å; Y198-L200 PolarHBondContact O-N 3.04Å; L200-A204 WeakPolarHBondContact O-CB 3.26Å; L200-A204 PolarHBondContact O-N 3.17Å; L200-L298 HydrophobicContact CD1-CD2 4.48Å; L200-L298 HydrophobicContact CD2-CD1 3.6Å; L200-L298 HydrophobicContact CD2-CD2 4.07Å; L200-L298 HydrophobicContact CD2-CG 4.49Å; L200-L298 HydrophobicContact CG-CD1 4.35Å; L200-L298 HydrophobicContact CG-CD2 3.96Å |
| 201 | H | 98.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.7 | -40.2 | -178.4 | -72.6 | 73.7 | 0 | 0 | 0 | 112.6 | L197 Y198 A205 T302 | L197-H201 PolarHBondContact O-N 3.5Å; L197-H201 PolarHBondContact O-ND1 3.15Å; Y198-H201 PolarHBondContact O-N 3.07Å; H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.46Å; H201-T302 PolarHBondContact CE1-OG1 3.3Å; H201-T302 PolarHBondContact NE2-OG1 2.7Å |
| 202 | V | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.8 | -46.5 | 176.1 | 179 | 0 | 0 | 0 | 0 | 109.9 | Y164 Q167 L168 Y198 A205 Y206 L218 | Y164-V202 HydrophobicContact CD1-CG1 3.71Å; Y164-V202 HydrophobicContact CE1-CG1 4.18Å; Q167-V202 HydrophobicContact CB-CG1 3.86Å; Q167-V202 HydrophobicContact CB-CG2 4.29Å; L168-V202 HydrophobicContact CD2-CB 3.87Å; L168-V202 HydrophobicContact CD2-CG1 3.54Å; L168-V202 HydrophobicContact CG-CG1 3.66Å; Y198-V202 WeakPolarHBondContact O-CB 3.5Å; Y198-V202 WeakPolarHBondContact O-CG2 3.02Å; Y198-V202 PolarHBondContact O-N 2.87Å; V202-A205 PolarHBondContact O-N 3.43Å; V202-Y206 WeakPolarHBondContact O-CB 3.44Å; V202-Y206 PolarHBondContact O-N 2.96Å; V202-L218 HydrophobicContact CG2-CD1 4.06Å; V202-L218 HydrophobicContact CG2-CD2 3.81Å |
| 203 | S | 98.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 31.7 Ų | 31.7 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.3 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | L168 L199 A205 Y206 L207 | L168-S203 WeakPolarHBondContact CD2-OG 3.29Å; L199-S203 WeakPolarHBondContact O-CB 3.46Å; L199-S203 PolarHBondContact O-N 2.83Å; L199-S203 PolarHBondContact O-OG 3.17Å; S203-A205 PolarHBondContact O-N 3.34Å; S203-Y206 PolarHBondContact O-N 3.01Å; S203-L207 WeakPolarHBondContact O-CB 3.23Å; S203-L207 VanDerWaalsContact O-CG 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.23Å; S203-L207 PolarHBondContact O-N 3.47Å |
| 204 | A | 97.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 27.6 Ų | 27.6 | 17% | 0.165 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L200 Y206 L208 | L200-A204 WeakPolarHBondContact O-CB 3.26Å; L200-A204 PolarHBondContact O-N 3.17Å; A204-Y206 VanDerWaalsContact C-N 3.33Å; A204-Y206 PolarHBondContact O-N 2.9Å; A204-L208 HydrophobicContact CB-CD1 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.46Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.12Å |
| 205 | A | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 9% | 0.091 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.4 | -36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y164 H201 V202 S203 L210 S211 | Y164-A205 HydrophobicContact CE1-CB 3.93Å; Y164-A205 WeakPolarHBondContact OH-CB 3.47Å; H201-A205 WeakPolarHBondContact O-CB 3.43Å; H201-A205 PolarHBondContact O-N 3.46Å; V202-A205 PolarHBondContact O-N 3.43Å; S203-A205 PolarHBondContact O-N 3.34Å; A205-L210 CarbonylContact O-C 3.2Å; A205-L210 WeakPolarHBondContact O-CA 3.32Å; A205-L210 PolarHBondContact O-N 2.84Å; A205-S211 PolarHBondContact O-N 3.25Å |
| 206 | Y | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 26.7 Ų | 26.7 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.4 | -52.9 | 179.6 | -171.8 | -120.3 | 0 | 0 | 0 | 112.7 | Y70 D74 L156 K161 Y164 L165 V202 S203 A204 N209 | Y70-Y206 WeakPolarHBondContact CA-OH 3.47Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.48Å; D74-Y206 PolarHBondContact OD2-OH 3.06Å; L156-Y206 HydrophobicContact CD1-CD2 4.3Å; L156-Y206 HydrophobicContact CD1-CE2 3.68Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.28Å; K161-Y206 HydrophobicContact CG-CE2 4.38Å; Y164-Y206 HydrophobicContact CD1-CD2 4.13Å; Y164-Y206 HydrophobicContact CD1-CG 4.3Å; Y164-Y206 HydrophobicContact CD2-CD2 4.29Å; Y164-Y206 AromaticContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CD2 3.79Å; Y164-Y206 HydrophobicContact CG-CG 4.38Å; L165-Y206 HydrophobicContact CD2-CE1 4.02Å; V202-Y206 WeakPolarHBondContact O-CB 3.44Å; V202-Y206 PolarHBondContact O-N 2.96Å; S203-Y206 PolarHBondContact O-N 3.01Å; A204-Y206 VanDerWaalsContact C-N 3.33Å; A204-Y206 PolarHBondContact O-N 2.9Å; Y206-N209 PolarHBondContact O-N 3.05Å |
| 207 | L | 96.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 25 Ų | 25 | 45% | 0.445 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -76.1 | -27.6 | -173.2 | -62.5 | 173.5 | 0 | 0 | 0 | 113.5 | Y70 S203 N209 F286 | Y70-L207 HydrophobicContact CD2-CD2 4Å; Y70-L207 HydrophobicContact CE2-CD2 4.27Å; S203-L207 WeakPolarHBondContact O-CB 3.23Å; S203-L207 VanDerWaalsContact O-CG 3.32Å; S203-L207 WeakPolarHBondContact O-CG 3.23Å; S203-L207 PolarHBondContact O-N 3.47Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.23Å; L207-F286 WeakPolarHBondContact O-CE2 3.43Å |
| 208 | L | 96.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 24 Ų | 24 | 17% | 0.173 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 10.8 | 176.9 | -57.5 | 173.8 | 0 | 0 | 0 | 113 | Y151 A204 L210 F286 I291 V295 | Y151-L208 WeakPolarHBondContact CE2-O 3.23Å; Y151-L208 PolarHBondContact OH-O 2.79Å; A204-L208 HydrophobicContact CB-CD1 4.41Å; A204-L208 WeakPolarHBondContact O-CB 3.46Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.43Å; A204-L208 PolarHBondContact O-N 3.19Å; A204-L208 VanDerWaalsContact O-N 3.12Å; L208-L210 HydrophobicContact CB-CD1 4.03Å; L208-L210 HydrophobicContact CB-CG 4.12Å; L208-L210 HydrophobicContact CD1-CD1 4.32Å; L208-L210 PolarHBondContact O-N 3.32Å; L208-F286 HydrophobicContact CB-CD2 4.41Å; L208-F286 HydrophobicContact CD2-CB 4.03Å; L208-F286 HydrophobicContact CD2-CD1 4.19Å; L208-F286 HydrophobicContact CD2-CD2 4.26Å; L208-F286 HydrophobicContact CD2-CG 3.88Å; L208-I291 HydrophobicContact CD1-CG2 4.05Å; L208-I291 HydrophobicContact CD2-CG2 4.26Å; L208-V295 HydrophobicContact CD1-CG2 3.61Å |
| 209 | N | 96.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 29.4 | -174.9 | -65.5 | -46.8 | 0 | 0 | 0 | 114.3 | Y151 P152 Y206 L207 S211 G284 | Y151-N209 HydrophobicContact CE2-CB 4.22Å; Y151-N209 WeakPolarHBondContact CE2-O 3.14Å; P152-N209 HydrophobicContact CB-CB 4Å; Y206-N209 PolarHBondContact O-N 3.05Å; L207-N209 VanDerWaalsContact C-N 3.27Å; L207-N209 PolarHBondContact O-N 3.23Å; N209-S211 VanDerWaalsContact C-N 3.26Å; N209-S211 PolarHBondContact O-N 3.41Å; N209-G284 PolarHBondContact ND2-O 2.87Å |
| 210 | L | 96 | Very high | 97.2 | Very high | 15 Ų | 15 | 23.9 Ų | 23.9 | 8% | 0.079 | 13% | 0.13 | C | C | . | . | trans | -94.2 | 32 | 176.6 | -64.4 | 171.9 | 0 | 0 | 0 | 111.4 | Y151 A205 L208 R212 V213 G214 V267 L271 V295 | Y151-L210 HydrophobicContact CD2-CD2 3.94Å; Y151-L210 HydrophobicContact CE2-CD2 3.53Å; Y151-L210 HydrophobicContact CE2-CG 4.11Å; A205-L210 CarbonylContact O-C 3.2Å; A205-L210 WeakPolarHBondContact O-CA 3.32Å; A205-L210 PolarHBondContact O-N 2.84Å; L208-L210 HydrophobicContact CB-CD1 4.03Å; L208-L210 HydrophobicContact CB-CG 4.12Å; L208-L210 HydrophobicContact CD1-CD1 4.32Å; L208-L210 PolarHBondContact O-N 3.32Å; L210-R212 PolarHBondContact O-N 3.47Å; L210-V213 PolarHBondContact O-N 2.9Å; L210-G214 PolarHBondContact O-N 2.88Å; L210-V267 HydrophobicContact CD2-CG2 4.44Å; L210-L271 HydrophobicContact CD2-CD1 3.59Å; L210-V295 HydrophobicContact CD1-CG1 4.32Å; L210-V295 HydrophobicContact CD1-CG2 4.42Å | ||
| 211 | S | 95.4 | Very high | 97.2 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | -168 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | L156 Y164 A205 N209 L215 | L156-S211 VanDerWaalsContact CD2-OG 3.27Å; L156-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y164-S211 PolarHBondContact OH-O 3.11Å; Y164-S211 VanDerWaalsContact OH-O 3.07Å; A205-S211 PolarHBondContact O-N 3.25Å; N209-S211 VanDerWaalsContact C-N 3.26Å; N209-S211 PolarHBondContact O-N 3.41Å; S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 3.48Å |
| 212 | R | 95.7 | Very high | 97.2 | Very high | 57 Ų | 57 | 18.8 Ų | 18.8 | 22% | 0.215 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -51.9 | 179.9 | -58.9 | -171.2 | -175.6 | 159 | 3.6 | 112.2 | Y140 S146 L147 E149 H153 L210 L215 V216 | Y140-R212 HydrophobicContact CD2-CB 4.21Å; Y140-R212 HydrophobicContact CD2-CG 4.37Å; Y140-R212 HydrophobicContact CE1-CG 4.01Å; Y140-R212 HydrophobicContact CE2-CB 4.05Å; Y140-R212 HydrophobicContact CE2-CG 3.78Å; S146-R212 WeakPolarHBondContact O-CD 3.21Å; S146-R212 PolarHBondContact O-NH1 3.34Å; L147-R212 HydrophobicContact CD2-CB 4.07Å; E149-R212 PolarHBondContact O-NH1 2.94Å; H153-R212 VanDerWaalsContact CD2-CZ 3.44Å; H153-R212 WeakPolarHBondContact ND1-CG 3.23Å; H153-R212 PolarHBondContact NE2-NH1 2.62Å; L210-R212 PolarHBondContact O-N 3.47Å; R212-L215 PolarHBondContact O-N 2.86Å; R212-V216 PolarHBondContact O-N 3.05Å |
| 213 | V | 96.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 22.2 Ų | 22.2 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.7 | -51.5 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | L147 L210 L215 V216 L217 M263 A266 | L147-V213 HydrophobicContact CB-CG2 3.97Å; L147-V213 VanDerWaalsContact O-CG2 3.29Å; L147-V213 WeakPolarHBondContact O-CG2 3.42Å; L210-V213 PolarHBondContact O-N 2.9Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.49Å; V213-V216 PolarHBondContact O-N 3.37Å; V213-V216 VanDerWaalsContact O-N 3.14Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.04Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.45Å; V213-M263 HydrophobicContact CG1-SD 4.48Å; V213-A266 HydrophobicContact CG2-CB 3.6Å |
| 214 | G | 96.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.9 | -39.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y164 L210 L217 L218 | Y164-G214 VanDerWaalsContact OH-C 3.22Å; Y164-G214 WeakPolarHBondContact OH-CA 3.34Å; L210-G214 PolarHBondContact O-N 2.88Å; G214-L217 PolarHBondContact O-N 3.12Å; G214-L218 WeakPolarHBondContact O-CB 3.41Å; G214-L218 VanDerWaalsContact O-CG 3.23Å; G214-L218 WeakPolarHBondContact O-CG 3.31Å; G214-L218 PolarHBondContact O-N 3.42Å |
| 215 | L | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.6 | -175.9 | 68.1 | 0 | 0 | 0 | 112.1 | I134 L135 Y140 F163 Y164 S211 R212 V213 L218 C219 | I134-L215 HydrophobicContact CB-CD2 3.96Å; I134-L215 HydrophobicContact CD1-CD1 4.46Å; I134-L215 HydrophobicContact CG2-CD2 3.42Å; I134-L215 VanDerWaalsContact CG2-CD2 3.42Å; L135-L215 HydrophobicContact CD2-CB 4.38Å; L135-L215 HydrophobicContact CD2-CD2 3.75Å; L135-L215 HydrophobicContact CD2-CG 3.84Å; L135-L215 HydrophobicContact CG-CD2 4.35Å; L135-L215 HydrophobicContact CG-CG 4.34Å; Y140-L215 HydrophobicContact CD2-CD2 4.21Å; Y140-L215 HydrophobicContact CE2-CD2 4Å; F163-L215 HydrophobicContact CD1-CD1 3.48Å; F163-L215 VanDerWaalsContact CD1-CD1 3.48Å; F163-L215 HydrophobicContact CE1-CD1 3.41Å; F163-L215 VanDerWaalsContact CE1-CD1 3.41Å; F163-L215 HydrophobicContact CG-CD1 4.13Å; F163-L215 HydrophobicContact CZ-CD1 4.01Å; Y164-L215 PolarHBondContact OH-N 3.07Å; Y164-L215 VanDerWaalsContact OH-N 3.12Å; S211-L215 VanDerWaalsContact O-CB 3.23Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 3.48Å; R212-L215 PolarHBondContact O-N 2.86Å; V213-L215 VanDerWaalsContact C-N 3.3Å; V213-L215 PolarHBondContact O-N 3.49Å; L215-L218 PolarHBondContact O-N 3.03Å; L215-C219 WeakPolarHBondContact O-CB 3.13Å; L215-C219 PolarHBondContact O-N 2.83Å |
| 216 | V | 97.2 | Very high | 97.1 | Very high | 11 Ų | 11 | 21 Ų | 21 | 7% | 0.067 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.1 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | L135 L147 R212 V213 L218 C219 L220 L262 | L135-V216 HydrophobicContact CD1-CG2 4.27Å; L135-V216 HydrophobicContact CD2-CB 4.42Å; L135-V216 HydrophobicContact CD2-CG2 3.47Å; L135-V216 VanDerWaalsContact CD2-CG2 3.47Å; L147-V216 HydrophobicContact CD1-CG2 4.44Å; L147-V216 HydrophobicContact CD2-CG2 3.74Å; R212-V216 PolarHBondContact O-N 3.05Å; V213-V216 PolarHBondContact O-N 3.37Å; V213-V216 VanDerWaalsContact O-N 3.14Å; V216-L218 PolarHBondContact O-N 3.45Å; V216-C219 PolarHBondContact O-N 2.83Å; V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.47Å; V216-L220 WeakPolarHBondContact O-CB 3.2Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.48Å; V216-L262 HydrophobicContact CG1-CD1 3.69Å |
| 217 | L | 97.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 21.7 Ų | 21.7 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 179.9 | -61.4 | -167.1 | 0 | 0 | 0 | 112.3 | V213 G214 Q221 T259 L262 M263 | V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.04Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 3.45Å; G214-L217 PolarHBondContact O-N 3.12Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.25Å; L217-Q221 PolarHBondContact O-N 3.03Å; L217-T259 HydrophobicContact CD2-CG2 4.08Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L217-M263 HydrophobicContact CD1-CB 4.46Å; L217-M263 HydrophobicContact CD1-SD 4.25Å |
| 218 | L | 98.1 | Very high | 97.1 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 6% | 0.058 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 174.7 | -74.6 | 168.5 | 0 | 0 | 0 | 111.8 | F163 Y164 V202 G214 L215 V216 L220 Q221 Y222 | F163-L218 HydrophobicContact CE1-CD1 4.09Å; Y164-L218 HydrophobicContact CE1-CD1 4.05Å; V202-L218 HydrophobicContact CG2-CD1 4.06Å; V202-L218 HydrophobicContact CG2-CD2 3.81Å; G214-L218 WeakPolarHBondContact O-CB 3.41Å; G214-L218 VanDerWaalsContact O-CG 3.23Å; G214-L218 WeakPolarHBondContact O-CG 3.31Å; G214-L218 PolarHBondContact O-N 3.42Å; L215-L218 PolarHBondContact O-N 3.03Å; V216-L218 PolarHBondContact O-N 3.45Å; L218-L220 PolarHBondContact O-N 3.35Å; L218-Q221 PolarHBondContact O-N 3.05Å; L218-Y222 HydrophobicContact CB-CE2 4.35Å; L218-Y222 HydrophobicContact CD2-CE2 4.5Å; L218-Y222 WeakPolarHBondContact O-CB 3.4Å; L218-Y222 WeakPolarHBondContact O-CD2 3.39Å; L218-Y222 VanDerWaalsContact O-CG 3.26Å; L218-Y222 PolarHBondContact O-N 3.39Å |
| 219 | C | 98.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 3% | 0.034 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.6 | -50 | 174.3 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | S131 L135 L215 V216 Q221 Y222 L223 | S131-C219 WeakPolarHBondContact OG-CA 3.17Å; S131-C219 VanDerWaalsContact OG-CB 3.24Å; S131-C219 WeakPolarHBondContact OG-CB 3.29Å; S131-C219 PolarHBondContact OG-SG 3.36Å; S131-C219 VanDerWaalsContact OG-SG 3.32Å; L135-C219 HydrophobicContact CD1-CB 3.63Å; L215-C219 WeakPolarHBondContact O-CB 3.13Å; L215-C219 PolarHBondContact O-N 2.83Å; V216-C219 PolarHBondContact O-N 2.83Å; C219-Q221 PolarHBondContact O-N 3.12Å; C219-Y222 PolarHBondContact O-N 3.47Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 VanDerWaalsContact O-CG 3.32Å; C219-L223 WeakPolarHBondContact O-CG 3.33Å; C219-L223 PolarHBondContact O-N 3.26Å |
| 220 | L | 97.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 20.2 Ų | 20.2 | 18% | 0.183 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 177.1 | -74.4 | 173.9 | 0 | 0 | 0 | 112 | V216 L218 S224 T255 V258 L262 | V216-L220 HydrophobicContact CG1-CD1 4.01Å; V216-L220 HydrophobicContact CG1-CG 4.47Å; V216-L220 WeakPolarHBondContact O-CB 3.2Å; V216-L220 WeakPolarHBondContact O-CG 3.39Å; V216-L220 PolarHBondContact O-N 3.48Å; L218-L220 PolarHBondContact O-N 3.35Å; L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 3.22Å; L220-T255 HydrophobicContact CB-CG2 3.79Å; L220-T255 WeakPolarHBondContact O-CG2 3.27Å; L220-V258 HydrophobicContact CD1-CB 4.48Å; L220-V258 HydrophobicContact CD1-CG1 3.73Å; L220-V258 HydrophobicContact CD2-CG1 4.49Å; L220-L262 HydrophobicContact CD1-CD1 3.95Å |
| 221 | Q | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 19.5 Ų | 19.5 | 9% | 0.089 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 177.8 | 176 | 59.5 | 24.1 | 0 | 0 | 112.1 | Y198 L217 L218 C219 S224 E225 R256 | Y198-Q221 HydrophobicContact CE1-CG 3.87Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.37Å; Y198-Q221 PolarHBondContact OH-NE2 2.85Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.25Å; L217-Q221 PolarHBondContact O-N 3.03Å; L218-Q221 PolarHBondContact O-N 3.05Å; C219-Q221 PolarHBondContact O-N 3.12Å; Q221-S224 PolarHBondContact O-N 3.03Å; Q221-E225 PolarHBondContact NE2-OE1 3.36Å; Q221-E225 PolarHBondContact O-N 3.47Å; Q221-R256 VanDerWaalsContact OE1-CZ 3.26Å |
| 222 | Y | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | -178.7 | -66.1 | -24.9 | 0 | 0 | 0 | 112.9 | F123 H124 S128 F163 Q167 W171 Y198 L218 C219 S224 E225 M226 | F123-Y222 AromaticContact CE1-CE1 3.99Å; F123-Y222 HydrophobicContact CE1-CE1 3.99Å; F123-Y222 AromaticContact CE1-CZ 3.94Å; H124-Y222 AromaticContact CE1-CD1 3.49Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.49Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.26Å; H124-Y222 AromaticContact CE1-CE1 3.8Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.45Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.7Å; S128-Y222 VanDerWaalsContact OG-C 3.24Å; S128-Y222 VanDerWaalsContact OG-CB 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.49Å; F163-Y222 HydrophobicContact CZ-CE2 4.16Å; Q167-Y222 PolarHBondContact OE1-OH 3.01Å; W171-Y222 HydrophobicContact CZ2-CE1 4.25Å; W171-Y222 PolarHBondContact NE1-OH 2.67Å; Y198-Y222 HydrophobicContact CD1-CE1 4.06Å; Y198-Y222 HydrophobicContact CE1-CD1 4.11Å; Y198-Y222 AromaticContact CE1-CE1 3.43Å; Y198-Y222 HydrophobicContact CE1-CE1 3.43Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.43Å; L218-Y222 HydrophobicContact CB-CE2 4.35Å; L218-Y222 HydrophobicContact CD2-CE2 4.5Å; L218-Y222 WeakPolarHBondContact O-CB 3.4Å; L218-Y222 WeakPolarHBondContact O-CD2 3.39Å; L218-Y222 VanDerWaalsContact O-CG 3.26Å; L218-Y222 PolarHBondContact O-N 3.39Å; C219-Y222 PolarHBondContact O-N 3.47Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.28Å; Y222-E225 PolarHBondContact O-N 3.03Å; Y222-M226 WeakPolarHBondContact O-CB 3.38Å; Y222-M226 PolarHBondContact O-N 3.11Å |
| 223 | L | 97.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 20.3 Ų | 20.3 | 38% | 0.382 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 172.7 | -74.7 | 168.8 | 0 | 0 | 0 | 111.7 | S128 C219 M226 G227 | S128-L223 PolarHBondContact OG-N 3.14Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 VanDerWaalsContact O-CG 3.32Å; C219-L223 WeakPolarHBondContact O-CG 3.33Å; C219-L223 PolarHBondContact O-N 3.26Å; L223-M226 HydrophobicContact CD2-CE 3.92Å; L223-G227 PolarHBondContact O-N 3.17Å; L223-G227 VanDerWaalsContact O-N 3.12Å |
| 224 | S | 97.2 | Very high | 97 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | -180 | -155.3 | 0 | 0 | 0 | 0 | 113.1 | L220 Q221 Y222 G227 F228 W248 F252 T255 | L220-S224 WeakPolarHBondContact O-CB 3.4Å; L220-S224 PolarHBondContact O-N 3.22Å; Q221-S224 PolarHBondContact O-N 3.03Å; Y222-S224 VanDerWaalsContact C-N 3.27Å; Y222-S224 PolarHBondContact O-N 3.28Å; S224-G227 PolarHBondContact O-N 3Å; S224-F228 PolarHBondContact O-N 3.4Å; S224-W248 VanDerWaalsContact O-CD1 3.3Å; S224-W248 PolarHBondContact O-NE1 3.39Å; S224-F252 WeakPolarHBondContact OG-CA 3.49Å; S224-T255 PolarHBondContact OG-OG1 2.98Å |
| 225 | E | 97.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.023 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72 | -35.3 | 176.4 | -62.9 | -73.4 | 175.4 | 0 | 0 | 111.5 | Q221 Y222 G227 F228 H229 | Q221-E225 PolarHBondContact NE2-OE1 3.36Å; Q221-E225 PolarHBondContact O-N 3.47Å; Y222-E225 PolarHBondContact O-N 3.03Å; E225-G227 VanDerWaalsContact C-N 3.33Å; E225-G227 PolarHBondContact O-N 3.38Å; E225-F228 WeakPolarHBondContact O-CB 3.47Å; E225-F228 PolarHBondContact O-N 2.76Å; E225-F228 VanDerWaalsContact O-N 3.14Å; E225-H229 PolarHBondContact O-CD2 3.32Å; E225-H229 PolarHBondContact O-N 3.29Å |
| 226 | M | 97.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 27.7 Ų | 27.7 | 16% | 0.158 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.3 | -48.9 | 170.8 | -178.4 | -174.3 | 67.5 | 0 | 0 | 110.7 | H124 L125 Y222 L223 F228 H229 I230 | H124-M226 HydrophobicContact CB-CB 3.87Å; L125-M226 VanDerWaalsContact CA-SD 3.59Å; L125-M226 HydrophobicContact CB-SD 3.87Å; L125-M226 HydrophobicContact CD1-SD 3.64Å; L125-M226 HydrophobicContact CG-SD 4.37Å; Y222-M226 WeakPolarHBondContact O-CB 3.38Å; Y222-M226 PolarHBondContact O-N 3.11Å; L223-M226 HydrophobicContact CD2-CE 3.92Å; M226-F228 VanDerWaalsContact C-N 3.3Å; M226-F228 PolarHBondContact O-N 2.94Å; M226-H229 PolarHBondContact O-N 3.44Å; M226-I230 HydrophobicContact CG-CD1 3.74Å; M226-I230 HydrophobicContact CG-CG1 4.32Å; M226-I230 WeakPolarHBondContact O-CB 3.25Å; M226-I230 VanDerWaalsContact O-CG1 3.29Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.18Å; M226-I230 HydrophobicContact SD-CD1 4.36Å |
| 227 | G | 96.9 | Very high | 96.1 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 25% | 0.247 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.6 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L223 S224 E225 A231 | L223-G227 PolarHBondContact O-N 3.17Å; L223-G227 VanDerWaalsContact O-N 3.12Å; S224-G227 PolarHBondContact O-N 3Å; E225-G227 VanDerWaalsContact C-N 3.33Å; E225-G227 PolarHBondContact O-N 3.38Å; G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 3.49Å |
| 228 | F | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 33 Ų | 33 | 11% | 0.114 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 174.7 | 178.3 | -109.1 | 0 | 0 | 0 | 112 | S224 E225 M226 A231 R232 F245 W248 F313 | S224-F228 PolarHBondContact O-N 3.4Å; E225-F228 WeakPolarHBondContact O-CB 3.47Å; E225-F228 PolarHBondContact O-N 2.76Å; E225-F228 VanDerWaalsContact O-N 3.14Å; M226-F228 VanDerWaalsContact C-N 3.3Å; M226-F228 PolarHBondContact O-N 2.94Å; F228-A231 PolarHBondContact O-N 3.29Å; F228-R232 VanDerWaalsContact O-CB 3.29Å; F228-R232 WeakPolarHBondContact O-CB 3.48Å; F228-R232 PolarHBondContact O-N 3.05Å; F228-F245 HydrophobicContact CD2-CD1 4.49Å; F228-F245 HydrophobicContact CD2-CE1 4.16Å; F228-F245 HydrophobicContact CE2-CD1 4.49Å; F228-F245 AromaticContact CE2-CE1 3.94Å; F228-F245 HydrophobicContact CE2-CE1 3.94Å; F228-W248 HydrophobicContact CB-CD2 4.22Å; F228-W248 HydrophobicContact CB-CG 4.37Å; F228-W248 HydrophobicContact CB-CZ2 4.02Å; F228-W248 AromaticContact CD2-CD2 4Å; F228-W248 HydrophobicContact CD2-CD2 4Å; F228-W248 AromaticContact CD2-CE2 3.77Å; F228-W248 HydrophobicContact CD2-CE3 4.08Å; F228-W248 AromaticContact CD2-CH2 3.66Å; F228-W248 HydrophobicContact CD2-CH2 3.66Å; F228-W248 AromaticContact CD2-CZ2 3.6Å; F228-W248 HydrophobicContact CD2-CZ2 3.6Å; F228-W248 AromaticContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CE2-CH2 4.12Å; F228-W248 HydrophobicContact CE2-CZ2 4.45Å; F228-W248 HydrophobicContact CE2-CZ3 4.32Å; F228-W248 HydrophobicContact CG-CZ2 4.09Å; F228-F313 HydrophobicContact CE2-CE2 4.39Å; F228-F313 HydrophobicContact CE2-CZ 4.24Å |
| 229 | H | 97.7 | Very high | 95 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -39 | -175.8 | -74.6 | -65.2 | 0 | 0 | 0 | 112.1 | S117 L120 C121 H124 E225 M226 R232 M233 | S117-H229 WeakPolarHBondContact CA-ND1 3.47Å; S117-H229 PolarHBondContact OG-ND1 3.29Å; L120-H229 VanDerWaalsContact CD1-CE1 3.47Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.24Å; C121-H229 HydrophobicContact CB-CB 3.9Å; H124-H229 AromaticContact CD2-CD2 3.91Å; E225-H229 PolarHBondContact O-CD2 3.32Å; E225-H229 PolarHBondContact O-N 3.29Å; M226-H229 PolarHBondContact O-N 3.44Å; H229-R232 PolarHBondContact O-N 2.92Å; H229-M233 VanDerWaalsContact O-CG 3.29Å; H229-M233 WeakPolarHBondContact O-CG 3.31Å; H229-M233 PolarHBondContact O-N 3.45Å |
| 230 | I | 96.8 | Very high | 94.4 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.7 | -56.3 | 169.7 | -69.2 | 173.1 | 0 | 0 | 0 | 110 | C121 M226 R232 M233 F234 M244 | C121-I230 VanDerWaalsContact SG-CG1 3.52Å; M226-I230 HydrophobicContact CG-CD1 3.74Å; M226-I230 HydrophobicContact CG-CG1 4.32Å; M226-I230 WeakPolarHBondContact O-CB 3.25Å; M226-I230 VanDerWaalsContact O-CG1 3.29Å; M226-I230 WeakPolarHBondContact O-CG1 3.21Å; M226-I230 PolarHBondContact O-N 3.18Å; M226-I230 HydrophobicContact SD-CD1 4.36Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 3.02Å; I230-M233 PolarHBondContact O-N 2.92Å; I230-M233 VanDerWaalsContact O-N 3.1Å; I230-F234 HydrophobicContact CG2-CD2 3.81Å; I230-F234 HydrophobicContact CG2-CE2 3.91Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 3.24Å; I230-M244 HydrophobicContact CG2-CE 3.73Å |
| 231 | A | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.3 | -40.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | G227 F228 Y235 M244 F245 | G227-A231 WeakPolarHBondContact O-CB 3.42Å; G227-A231 PolarHBondContact O-N 3.49Å; F228-A231 PolarHBondContact O-N 3.29Å; A231-Y235 VanDerWaalsContact O-CB 3.26Å; A231-Y235 WeakPolarHBondContact O-CB 3.3Å; A231-Y235 PolarHBondContact O-N 3.41Å; A231-M244 HydrophobicContact CB-CB 3.7Å; A231-F245 HydrophobicContact CB-CD1 3.84Å; A231-F245 HydrophobicContact CB-CE1 3.97Å; A231-F245 HydrophobicContact CB-CG 4.29Å |
| 232 | R | 95.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.2 | -35.6 | 177.9 | -175.7 | 167.4 | 176.1 | -128.8 | 15.9 | 113.2 | K113 E116 S117 F228 H229 I230 F236 F245 | K113-R232 PolarHBondContact O-NH1 2.87Å; E116-R232 IonicContact OE2-CZ 2.7Å; E116-R232 IonicContact OE2-NH1 3.34Å; E116-R232 PolarHBondContact OE2-NH1 3.18Å; E116-R232 IonicContact OE2-NH2 2.79Å; E116-R232 PolarHBondContact OE2-NH2 3.05Å; S117-R232 VanDerWaalsContact OG-CD 3.24Å; S117-R232 WeakPolarHBondContact OG-CD 3.31Å; S117-R232 WeakPolarHBondContact OG-CG 3.16Å; S117-R232 PolarHBondContact OG-NH1 2.69Å; F228-R232 VanDerWaalsContact O-CB 3.29Å; F228-R232 WeakPolarHBondContact O-CB 3.48Å; F228-R232 PolarHBondContact O-N 3.05Å; H229-R232 PolarHBondContact O-N 2.92Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 3.02Å; R232-F236 HydrophobicContact CG-CD2 4.26Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.92Å; R232-F236 WeakPolarHBondContact O-CD2 3.29Å; R232-F236 VanDerWaalsContact O-CG 3.31Å; R232-F236 WeakPolarHBondContact O-CG 3.38Å; R232-F236 PolarHBondContact O-N 2.87Å; R232-F245 HydrophobicContact CB-CE1 4.17Å; R232-F245 HydrophobicContact CB-CZ 4.03Å |
| 233 | M | 94.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -48 | 175.1 | -72.9 | 173.9 | 75.7 | 0 | 0 | 111.7 | L97 F114 C121 H229 I230 Y235 F236 T237 | L97-M233 HydrophobicContact CD2-CE 4.44Å; F114-M233 HydrophobicContact CD2-CB 4.45Å; F114-M233 HydrophobicContact CD2-CG 4.33Å; F114-M233 HydrophobicContact CE1-CE 4Å; F114-M233 HydrophobicContact CE2-CB 3.94Å; F114-M233 HydrophobicContact CE2-CE 4.15Å; F114-M233 HydrophobicContact CE2-CG 4.09Å; F114-M233 HydrophobicContact CZ-CE 3.62Å; F114-M233 HydrophobicContact CZ-CG 4.49Å; C121-M233 HydrophobicContact CB-SD 3.78Å; H229-M233 VanDerWaalsContact O-CG 3.29Å; H229-M233 WeakPolarHBondContact O-CG 3.31Å; H229-M233 PolarHBondContact O-N 3.45Å; I230-M233 PolarHBondContact O-N 2.92Å; I230-M233 VanDerWaalsContact O-N 3.1Å; M233-Y235 VanDerWaalsContact C-N 3.33Å; M233-Y235 PolarHBondContact O-N 2.91Å; M233-F236 PolarHBondContact O-N 3.23Å; M233-F236 VanDerWaalsContact O-N 3.14Å; M233-T237 PolarHBondContact O-N 3.41Å; M233-T237 VanDerWaalsContact O-N 3.16Å; M233-T237 PolarHBondContact O-OG1 3.41Å |
| 234 | F | 93.9 | Very high | 92.7 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 176.4 | -85.9 | -86.4 | 0 | 0 | 0 | 112 | I230 F236 T237 D238 H241 M244 | I230-F234 HydrophobicContact CG2-CD2 3.81Å; I230-F234 HydrophobicContact CG2-CE2 3.91Å; I230-F234 WeakPolarHBondContact O-CD2 3.45Å; I230-F234 PolarHBondContact O-N 3.24Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.48Å; F234-T237 WeakPolarHBondContact O-CB 3.31Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 VanDerWaalsContact O-N 3.14Å; F234-D238 PolarHBondContact O-N 2.86Å; F234-H241 HydrophobicContact CB-CB 4.04Å; F234-M244 HydrophobicContact CB-CE 4.22Å; F234-M244 HydrophobicContact CB-SD 3.47Å; F234-M244 WeakPolarHBondContact CB-SD 3.27Å; F234-M244 HydrophobicContact CD1-SD 4.26Å; F234-M244 HydrophobicContact CD2-CE 3.7Å; F234-M244 HydrophobicContact CD2-SD 4.04Å; F234-M244 HydrophobicContact CE2-CE 4.25Å; F234-M244 HydrophobicContact CG-CE 3.99Å; F234-M244 HydrophobicContact CG-SD 3.67Å |
| 235 | Y | 92.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -33.1 | 174.9 | 176.1 | -107.6 | 0 | 0 | 0 | 114 | A231 M233 D238 E239 Q242 F245 | A231-Y235 VanDerWaalsContact O-CB 3.26Å; A231-Y235 WeakPolarHBondContact O-CB 3.3Å; A231-Y235 PolarHBondContact O-N 3.41Å; M233-Y235 VanDerWaalsContact C-N 3.33Å; M233-Y235 PolarHBondContact O-N 2.91Å; Y235-D238 CarbonylContact O-C 3.6Å; Y235-E239 HydrophobicContact CD2-CB 4.26Å; Y235-E239 HydrophobicContact CD2-CG 4.37Å; Y235-E239 HydrophobicContact CE2-CB 3.67Å; Y235-E239 HydrophobicContact CE2-CG 3.74Å; Y235-Q242 HydrophobicContact CD2-CG 4.01Å; Y235-Q242 HydrophobicContact CE2-CG 3.81Å; Y235-F245 HydrophobicContact CD1-CE2 4.06Å; Y235-F245 HydrophobicContact CD2-CE2 4.33Å; Y235-F245 AromaticContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CZ 4.47Å |
| 236 | F | 91.6 | Very high | 92.2 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 10% | 0.101 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.9 | -28.5 | 175.4 | -71.1 | -31 | 0 | 0 | 0 | 113.2 | L106 K110 K113 F114 R232 M233 F234 | L106-F236 HydrophobicContact CD1-CB 4.46Å; L106-F236 VanDerWaalsContact CD2-O 3.28Å; L106-F236 WeakPolarHBondContact CD2-O 3.28Å; K110-F236 HydrophobicContact CD-CD1 4.47Å; K110-F236 HydrophobicContact CG-CD1 4.37Å; K113-F236 HydrophobicContact CB-CE2 3.66Å; K113-F236 HydrophobicContact CB-CZ 3.72Å; K113-F236 HydrophobicContact CD-CZ 4.33Å; F114-F236 HydrophobicContact CB-CD2 4.05Å; F114-F236 HydrophobicContact CD2-CB 3.97Å; F114-F236 HydrophobicContact CD2-CD2 4.09Å; R232-F236 HydrophobicContact CG-CD2 4.26Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.92Å; R232-F236 WeakPolarHBondContact O-CD2 3.29Å; R232-F236 VanDerWaalsContact O-CG 3.31Å; R232-F236 WeakPolarHBondContact O-CG 3.38Å; R232-F236 PolarHBondContact O-N 2.87Å; M233-F236 PolarHBondContact O-N 3.23Å; M233-F236 VanDerWaalsContact O-N 3.14Å; F234-F236 VanDerWaalsContact C-N 3.29Å; F234-F236 PolarHBondContact O-N 3.48Å |
| 237 | T | 89.4 | Confident | 92.1 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.3 | -49.5 | 172.3 | -63 | 0 | 0 | 0 | 0 | 111.5 | L104 M233 F234 | L104-T237 WeakPolarHBondContact CD1-OG1 3.4Å; L104-T237 HydrophobicContact CD2-CG2 3.79Å; M233-T237 PolarHBondContact O-N 3.41Å; M233-T237 VanDerWaalsContact O-N 3.16Å; M233-T237 PolarHBondContact O-OG1 3.41Å; F234-T237 WeakPolarHBondContact O-CB 3.31Å; F234-T237 PolarHBondContact O-N 3Å; F234-T237 VanDerWaalsContact O-N 3.14Å |
| 238 | D | 86.9 | Confident | 92 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | trans | -148.7 | 122.4 | 176.5 | 168.3 | 20.1 | 0 | 0 | 0 | 110.2 | F234 Y235 S240 H241 | F234-D238 PolarHBondContact O-N 2.86Å; Y235-D238 CarbonylContact O-C 3.6Å; D238-S240 PolarHBondContact O-N 3.32Å; D238-S240 VanDerWaalsContact O-N 3.1Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.88Å; D238-S240 PolarHBondContact OD1-OG 3.4Å; D238-S240 WeakPolarHBondContact OD2-CB 3.22Å; D238-S240 PolarHBondContact OD2-OG 2.82Å; D238-H241 PolarHBondContact O-N 3.28Å; D238-H241 VanDerWaalsContact O-N 3.15Å; D238-H241 PolarHBondContact O-ND1 3.4Å; D238-H241 IonicContact OD2-CE1 2.65Å; D238-H241 PolarHBondContact OD2-CE1 2.87Å; D238-H241 IonicContact OD2-ND1 3.88Å | ||
| 239 | E | 85.5 | Confident | 91.9 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -66.8 | -10.1 | -176.7 | -61.7 | -174.5 | 175.2 | 0 | 0 | 113.2 | K110 Y235 H241 Q242 | K110-E239 IonicContact NZ-OE1 2.74Å; K110-E239 PolarHBondContact NZ-OE1 2.84Å; Y235-E239 HydrophobicContact CD2-CB 4.26Å; Y235-E239 HydrophobicContact CD2-CG 4.37Å; Y235-E239 HydrophobicContact CE2-CB 3.67Å; Y235-E239 HydrophobicContact CE2-CG 3.74Å; E239-H241 PolarHBondContact O-N 2.88Å; E239-Q242 VanDerWaalsContact O-CG 3.22Å; E239-Q242 WeakPolarHBondContact O-CG 3.31Å |
| 240 | S | 85.6 | Confident | 91.9 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 57% | 0.566 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -61.7 | -26.2 | 170 | 84.8 | 0 | 0 | 0 | 0 | 113.4 | D238 Q242 | D238-S240 PolarHBondContact O-N 3.32Å; D238-S240 VanDerWaalsContact O-N 3.1Å; D238-S240 WeakPolarHBondContact OD1-CB 3.35Å; D238-S240 PolarHBondContact OD1-N 2.88Å; D238-S240 PolarHBondContact OD1-OG 3.4Å; D238-S240 WeakPolarHBondContact OD2-CB 3.22Å; D238-S240 PolarHBondContact OD2-OG 2.82Å; S240-Q242 PolarHBondContact O-N 2.74Å |
| 241 | H | 88.4 | Confident | 91.8 | Very high | 63 Ų | 63 | 62 Ų | 62 | 29% | 0.292 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -74.2 | 12.4 | -176.3 | -64 | 85.5 | 0 | 0 | 0 | 114.6 | F234 D238 E239 K243 M244 | F234-H241 HydrophobicContact CB-CB 4.04Å; D238-H241 PolarHBondContact O-N 3.28Å; D238-H241 VanDerWaalsContact O-N 3.15Å; D238-H241 PolarHBondContact O-ND1 3.4Å; D238-H241 IonicContact OD2-CE1 2.65Å; D238-H241 PolarHBondContact OD2-CE1 2.87Å; D238-H241 IonicContact OD2-ND1 3.88Å; E239-H241 PolarHBondContact O-N 2.88Å; H241-K243 PolarHBondContact O-N 2.72Å; H241-M244 HydrophobicContact CB-CG 4.4Å; H241-M244 HydrophobicContact CB-SD 4.02Å; H241-M244 WeakPolarHBondContact O-CB 3.46Å; H241-M244 WeakPolarHBondContact O-CG 3.35Å; H241-M244 PolarHBondContact O-N 2.79Å |
| 242 | Q | 85.4 | Confident | 91.9 | Very high | 56 Ų | 56 | 62.2 Ų | 62.2 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -46 | -35.1 | 176.2 | -80.1 | -84.3 | 6.2 | 0 | 0 | 113.8 | Y235 E239 S240 M244 F245 R317 | Y235-Q242 HydrophobicContact CD2-CG 4.01Å; Y235-Q242 HydrophobicContact CE2-CG 3.81Å; E239-Q242 VanDerWaalsContact O-CG 3.22Å; E239-Q242 WeakPolarHBondContact O-CG 3.31Å; S240-Q242 PolarHBondContact O-N 2.74Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.17Å; Q242-F245 PolarHBondContact O-N 3.49Å; Q242-F245 VanDerWaalsContact O-N 3.11Å; Q242-R317 PolarHBondContact O-NH2 3.26Å |
| 243 | K | 88.6 | Confident | 91.9 | Very high | 168 Ų | 168 | 63.2 Ų | 63.2 | 73% | 0.73 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58.9 | -24.9 | 178.6 | -66 | -175.2 | -179.5 | 179.8 | 0 | 114 | H241 F245 D246 V247 | H241-K243 PolarHBondContact O-N 2.72Å; K243-F245 PolarHBondContact O-N 3Å; K243-D246 WeakPolarHBondContact CA-OD2 3.24Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 3.36Å; K243-V247 PolarHBondContact O-N 2.69Å |
| 244 | M | 92.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -29.6 | 177.7 | -62.3 | -176.4 | 71.9 | 0 | 0 | 112.3 | I230 A231 F234 H241 Q242 D246 W248 | I230-M244 HydrophobicContact CG2-CE 3.73Å; A231-M244 HydrophobicContact CB-CB 3.7Å; F234-M244 HydrophobicContact CB-CE 4.22Å; F234-M244 HydrophobicContact CB-SD 3.47Å; F234-M244 WeakPolarHBondContact CB-SD 3.27Å; F234-M244 HydrophobicContact CD1-SD 4.26Å; F234-M244 HydrophobicContact CD2-CE 3.7Å; F234-M244 HydrophobicContact CD2-SD 4.04Å; F234-M244 HydrophobicContact CE2-CE 4.25Å; F234-M244 HydrophobicContact CG-CE 3.99Å; F234-M244 HydrophobicContact CG-SD 3.67Å; H241-M244 HydrophobicContact CB-CG 4.4Å; H241-M244 HydrophobicContact CB-SD 4.02Å; H241-M244 WeakPolarHBondContact O-CB 3.46Å; H241-M244 WeakPolarHBondContact O-CG 3.35Å; H241-M244 PolarHBondContact O-N 2.79Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.17Å; M244-D246 VanDerWaalsContact C-N 3.28Å; M244-D246 PolarHBondContact O-N 3.13Å; M244-W248 WeakPolarHBondContact O-CB 3.33Å; M244-W248 PolarHBondContact O-N 2.81Å |
| 245 | F | 92.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.1 | -23.6 | 172.1 | -72.1 | -64.3 | 0 | 0 | 0 | 113.1 | F228 A231 R232 Y235 Q242 K243 W248 A249 F313 | F228-F245 HydrophobicContact CD2-CD1 4.49Å; F228-F245 HydrophobicContact CD2-CE1 4.16Å; F228-F245 HydrophobicContact CE2-CD1 4.49Å; F228-F245 AromaticContact CE2-CE1 3.94Å; F228-F245 HydrophobicContact CE2-CE1 3.94Å; A231-F245 HydrophobicContact CB-CD1 3.84Å; A231-F245 HydrophobicContact CB-CE1 3.97Å; A231-F245 HydrophobicContact CB-CG 4.29Å; R232-F245 HydrophobicContact CB-CE1 4.17Å; R232-F245 HydrophobicContact CB-CZ 4.03Å; Y235-F245 HydrophobicContact CD1-CE2 4.06Å; Y235-F245 HydrophobicContact CD2-CE2 4.33Å; Y235-F245 AromaticContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CE2 3.74Å; Y235-F245 HydrophobicContact CG-CZ 4.47Å; Q242-F245 PolarHBondContact O-N 3.49Å; Q242-F245 VanDerWaalsContact O-N 3.11Å; K243-F245 PolarHBondContact O-N 3Å; F245-W248 HydrophobicContact CD1-CE3 4.23Å; F245-A249 WeakPolarHBondContact O-CB 3.15Å; F245-A249 PolarHBondContact O-N 3.46Å; F245-F313 HydrophobicContact CD1-CE1 4.16Å; F245-F313 AromaticContact CD1-CZ 3.94Å; F245-F313 HydrophobicContact CD1-CZ 3.94Å; F245-F313 AromaticContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CG-CZ 4.38Å; F245-F313 HydrophobicContact CZ-CZ 4.32Å |
| 246 | D | 91.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.6 | -42.8 | 177.2 | -56 | -44.9 | 0 | 0 | 0 | 110.6 | K243 M244 A249 V250 R317 | K243-D246 WeakPolarHBondContact CA-OD2 3.24Å; K243-D246 WeakPolarHBondContact O-CB 3.49Å; K243-D246 PolarHBondContact O-N 3.36Å; M244-D246 VanDerWaalsContact C-N 3.28Å; M244-D246 PolarHBondContact O-N 3.13Å; D246-A249 WeakPolarHBondContact O-CB 3.5Å; D246-A249 PolarHBondContact O-N 3.48Å; D246-V250 PolarHBondContact O-N 2.94Å; D246-V250 VanDerWaalsContact O-N 3.16Å; D246-R317 VanDerWaalsContact CG-NH2 3.29Å; D246-R317 IonicContact OD1-CZ 3.37Å; D246-R317 VanDerWaalsContact OD1-CZ 3.25Å; D246-R317 IonicContact OD1-NH1 3.41Å; D246-R317 PolarHBondContact OD1-NH1 3.43Å; D246-R317 IonicContact OD1-NH2 3.22Å; D246-R317 PolarHBondContact OD1-NH2 3.42Å; D246-R317 IonicContact OD2-NH2 3.71Å; D246-R317 PolarHBondContact OD2-NH2 2.8Å |
| 247 | V | 94.1 | Very high | 92.7 | Very high | 100 Ų | 100 | 66 Ų | 66 | 61% | 0.606 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.7 | -50.6 | 170.5 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | K243 A249 V250 C251 | K243-V247 PolarHBondContact O-N 2.69Å; V247-A249 VanDerWaalsContact C-N 3.27Å; V247-A249 PolarHBondContact O-N 2.88Å; V247-V250 PolarHBondContact O-N 2.88Å; V247-C251 PolarHBondContact O-N 3.32Å; V247-C251 VanDerWaalsContact O-N 3.1Å; V247-C251 PolarHBondContact O-SG 3.43Å; V247-C251 VanDerWaalsContact O-SG 3.37Å |
| 248 | W | 95.9 | Very high | 93 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.3 | -39.6 | 174.7 | 166.5 | 70 | 0 | 0 | 0 | 112.4 | S224 F228 M244 F245 V250 C251 F252 F310 F313 | S224-W248 VanDerWaalsContact O-CD1 3.3Å; S224-W248 PolarHBondContact O-NE1 3.39Å; F228-W248 HydrophobicContact CB-CD2 4.22Å; F228-W248 HydrophobicContact CB-CG 4.37Å; F228-W248 HydrophobicContact CB-CZ2 4.02Å; F228-W248 AromaticContact CD2-CD2 4Å; F228-W248 HydrophobicContact CD2-CD2 4Å; F228-W248 AromaticContact CD2-CE2 3.77Å; F228-W248 HydrophobicContact CD2-CE3 4.08Å; F228-W248 AromaticContact CD2-CH2 3.66Å; F228-W248 HydrophobicContact CD2-CH2 3.66Å; F228-W248 AromaticContact CD2-CZ2 3.6Å; F228-W248 HydrophobicContact CD2-CZ2 3.6Å; F228-W248 AromaticContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CD2-CZ3 3.92Å; F228-W248 HydrophobicContact CE2-CH2 4.12Å; F228-W248 HydrophobicContact CE2-CZ2 4.45Å; F228-W248 HydrophobicContact CE2-CZ3 4.32Å; F228-W248 HydrophobicContact CG-CZ2 4.09Å; M244-W248 WeakPolarHBondContact O-CB 3.33Å; M244-W248 PolarHBondContact O-N 2.81Å; F245-W248 HydrophobicContact CD1-CE3 4.23Å; W248-V250 PolarHBondContact O-N 3.36Å; W248-C251 PolarHBondContact O-N 3.12Å; W248-F252 HydrophobicContact CZ2-CB 4.2Å; W248-F252 AromaticContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CE2 4.37Å; W248-F252 HydrophobicContact CZ2-CG 4.03Å; W248-F252 VanDerWaalsContact O-CB 3.25Å; W248-F252 WeakPolarHBondContact O-CB 3.35Å; W248-F252 PolarHBondContact O-N 3.25Å; W248-F310 AromaticContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CE2 4.17Å; W248-F310 HydrophobicContact CZ2-CD2 4.36Å; W248-F310 AromaticContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CE2 4.03Å; W248-F313 HydrophobicContact CH2-CD1 4.45Å; W248-F313 AromaticContact CZ3-CD1 3.96Å; W248-F313 HydrophobicContact CZ3-CD1 3.96Å; W248-F313 AromaticContact CZ3-CE1 3.84Å; W248-F313 HydrophobicContact CZ3-CE1 3.84Å |
| 249 | A | 95.5 | Very high | 93.5 | Very high | 14 Ų | 14 | 61 Ų | 61 | 12% | 0.116 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F245 D246 V247 F252 V253 F310 | F245-A249 WeakPolarHBondContact O-CB 3.15Å; F245-A249 PolarHBondContact O-N 3.46Å; D246-A249 WeakPolarHBondContact O-CB 3.5Å; D246-A249 PolarHBondContact O-N 3.48Å; V247-A249 VanDerWaalsContact C-N 3.27Å; V247-A249 PolarHBondContact O-N 2.88Å; A249-F252 PolarHBondContact O-N 3.02Å; A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.12Å; A249-V253 VanDerWaalsContact O-N 3.13Å; A249-F310 HydrophobicContact CB-CE2 3.79Å; A249-F310 HydrophobicContact CB-CZ 3.93Å |
| 250 | V | 95.8 | Very high | 94 | Very high | 108 Ų | 108 | 58.6 Ų | 58.6 | 66% | 0.655 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | D246 V247 W248 F252 V253 F254 | D246-V250 PolarHBondContact O-N 2.94Å; D246-V250 VanDerWaalsContact O-N 3.16Å; V247-V250 PolarHBondContact O-N 2.88Å; W248-V250 PolarHBondContact O-N 3.36Å; V250-F252 VanDerWaalsContact C-N 3.33Å; V250-F252 PolarHBondContact O-N 3.42Å; V250-V253 PolarHBondContact O-N 3.05Å; V250-F254 WeakPolarHBondContact O-CB 3.24Å; V250-F254 PolarHBondContact O-N 3.5Å |
| 251 | C | 95.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 43% | 0.432 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 176.9 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | V247 W248 F254 T255 | V247-C251 PolarHBondContact O-N 3.32Å; V247-C251 VanDerWaalsContact O-N 3.1Å; V247-C251 PolarHBondContact O-SG 3.43Å; V247-C251 VanDerWaalsContact O-SG 3.37Å; W248-C251 PolarHBondContact O-N 3.12Å; C251-F254 PolarHBondContact O-N 2.94Å; C251-T255 PolarHBondContact O-N 3.48Å; C251-T255 PolarHBondContact O-OG1 2.84Å |
| 252 | F | 97.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -53.7 | 179.2 | 177.2 | -92 | 0 | 0 | 0 | 111.7 | S224 W248 A249 V250 F254 T255 R256 L306 L307 F310 | S224-F252 WeakPolarHBondContact OG-CA 3.49Å; W248-F252 HydrophobicContact CZ2-CB 4.2Å; W248-F252 AromaticContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CD2 3.76Å; W248-F252 HydrophobicContact CZ2-CE2 4.37Å; W248-F252 HydrophobicContact CZ2-CG 4.03Å; W248-F252 VanDerWaalsContact O-CB 3.25Å; W248-F252 WeakPolarHBondContact O-CB 3.35Å; W248-F252 PolarHBondContact O-N 3.25Å; A249-F252 PolarHBondContact O-N 3.02Å; V250-F252 VanDerWaalsContact C-N 3.33Å; V250-F252 PolarHBondContact O-N 3.42Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 3.07Å; F252-T255 WeakPolarHBondContact O-CB 3.38Å; F252-T255 PolarHBondContact O-N 3.4Å; F252-T255 VanDerWaalsContact O-N 3.16Å; F252-R256 HydrophobicContact CD1-CG 4.18Å; F252-R256 HydrophobicContact CE1-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 4.03Å; F252-R256 WeakPolarHBondContact O-CG 3.38Å; F252-R256 PolarHBondContact O-N 3.32Å; F252-L306 HydrophobicContact CZ-CB 4.26Å; F252-L307 HydrophobicContact CE1-CD2 4.23Å; F252-F310 HydrophobicContact CB-CE2 4.44Å; F252-F310 HydrophobicContact CD1-CB 4.11Å; F252-F310 HydrophobicContact CD1-CD1 4.22Å; F252-F310 AromaticContact CD1-CD2 3.37Å; F252-F310 HydrophobicContact CD1-CD2 3.37Å; F252-F310 AromaticContact CD1-CE2 3.73Å; F252-F310 HydrophobicContact CD1-CE2 3.73Å; F252-F310 AromaticContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CZ 4.29Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.04Å; F252-F310 AromaticContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CE2 4.36Å; F252-F310 AromaticContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CE1-CG 3.41Å; F252-F310 VanDerWaalsContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CG-CD2 4.01Å; F252-F310 HydrophobicContact CG-CE2 4.29Å; F252-F310 HydrophobicContact CZ-CB 3.75Å; F252-F310 HydrophobicContact CZ-CD2 4.39Å; F252-F310 HydrophobicContact CZ-CG 4.23Å |
| 253 | V | 96.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | A249 V250 T255 R256 M257 F310 | A249-V253 WeakPolarHBondContact O-CG2 3.32Å; A249-V253 PolarHBondContact O-N 3.12Å; A249-V253 VanDerWaalsContact O-N 3.13Å; V250-V253 PolarHBondContact O-N 3.05Å; V253-T255 PolarHBondContact O-N 2.99Å; V253-R256 PolarHBondContact O-N 3.2Å; V253-R256 VanDerWaalsContact O-N 3.16Å; V253-M257 HydrophobicContact CG1-SD 4.29Å; V253-M257 WeakPolarHBondContact O-CG 3.17Å; V253-M257 PolarHBondContact O-N 3.34Å; V253-F310 HydrophobicContact CG2-CE1 4.01Å; V253-F310 HydrophobicContact CG2-CZ 3.95Å |
| 254 | F | 97 | Very high | 95.7 | Very high | 134 Ų | 134 | 51.7 Ų | 51.7 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58.1 | -46.7 | 175.1 | 179.4 | -100.5 | 0 | 0 | 0 | 112 | V250 C251 F252 R256 M257 V258 | V250-F254 WeakPolarHBondContact O-CB 3.24Å; V250-F254 PolarHBondContact O-N 3.5Å; C251-F254 PolarHBondContact O-N 2.94Å; F252-F254 VanDerWaalsContact C-N 3.32Å; F252-F254 PolarHBondContact O-N 3.07Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.97Å; F254-M257 PolarHBondContact O-N 3.45Å; F254-V258 HydrophobicContact CD1-CG2 4.23Å; F254-V258 HydrophobicContact CD2-CG2 4.41Å; F254-V258 HydrophobicContact CE1-CG2 3.79Å; F254-V258 HydrophobicContact CE2-CG2 3.99Å; F254-V258 HydrophobicContact CZ-CG2 3.66Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.94Å |
| 255 | T | 97.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -45 | 174.9 | -48.4 | 0 | 0 | 0 | 0 | 111.2 | L220 S224 C251 F252 V253 M257 V258 T259 | L220-T255 HydrophobicContact CB-CG2 3.79Å; L220-T255 WeakPolarHBondContact O-CG2 3.27Å; S224-T255 PolarHBondContact OG-OG1 2.98Å; C251-T255 PolarHBondContact O-N 3.48Å; C251-T255 PolarHBondContact O-OG1 2.84Å; F252-T255 WeakPolarHBondContact O-CB 3.38Å; F252-T255 PolarHBondContact O-N 3.4Å; F252-T255 VanDerWaalsContact O-N 3.16Å; V253-T255 PolarHBondContact O-N 2.99Å; T255-M257 PolarHBondContact O-N 3.36Å; T255-V258 PolarHBondContact O-N 3.27Å; T255-T259 VanDerWaalsContact O-CB 3.28Å; T255-T259 WeakPolarHBondContact O-CB 3.47Å; T255-T259 PolarHBondContact O-N 3.46Å; T255-T259 PolarHBondContact O-OG1 2.98Å |
| 256 | R | 97.1 | Very high | 96 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.4 | -57.2 | -53.8 | 68.6 | 169.8 | 3.7 | 112 | Q221 F252 V253 F254 T259 L260 Q303 L307 | Q221-R256 VanDerWaalsContact OE1-CZ 3.26Å; F252-R256 HydrophobicContact CD1-CG 4.18Å; F252-R256 HydrophobicContact CE1-CG 3.81Å; F252-R256 HydrophobicContact CZ-CG 4.03Å; F252-R256 WeakPolarHBondContact O-CG 3.38Å; F252-R256 PolarHBondContact O-N 3.32Å; V253-R256 PolarHBondContact O-N 3.2Å; V253-R256 VanDerWaalsContact O-N 3.16Å; F254-R256 VanDerWaalsContact C-N 3.32Å; F254-R256 PolarHBondContact O-N 2.97Å; R256-T259 PolarHBondContact O-N 2.69Å; R256-L260 WeakPolarHBondContact O-CG 3.32Å; R256-L260 PolarHBondContact O-N 3.35Å; R256-Q303 VanDerWaalsContact NE-OE1 3.12Å; R256-L307 HydrophobicContact CB-CD2 4.45Å; R256-L307 HydrophobicContact CG-CD2 4.02Å; R256-L307 HydrophobicContact CG-CG 4.25Å |
| 257 | M | 96.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 59% | 0.586 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.1 | -51.1 | 176.8 | -67.9 | 176.6 | 68.7 | 0 | 0 | 111.1 | V253 F254 T255 T259 L260 T261 | V253-M257 HydrophobicContact CG1-SD 4.29Å; V253-M257 WeakPolarHBondContact O-CG 3.17Å; V253-M257 PolarHBondContact O-N 3.34Å; F254-M257 PolarHBondContact O-N 3.45Å; T255-M257 PolarHBondContact O-N 3.36Å; M257-T259 PolarHBondContact O-N 3.19Å; M257-L260 PolarHBondContact O-N 2.91Å; M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 3.46Å; M257-T261 PolarHBondContact O-OG1 2.83Å; M257-T261 VanDerWaalsContact O-OG1 3.05Å |
| 258 | V | 96.6 | Very high | 96.2 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 24% | 0.236 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L220 F254 T255 L260 T261 L262 | L220-V258 HydrophobicContact CD1-CB 4.48Å; L220-V258 HydrophobicContact CD1-CG1 3.73Å; L220-V258 HydrophobicContact CD2-CG1 4.49Å; F254-V258 HydrophobicContact CD1-CG2 4.23Å; F254-V258 HydrophobicContact CD2-CG2 4.41Å; F254-V258 HydrophobicContact CE1-CG2 3.79Å; F254-V258 HydrophobicContact CE2-CG2 3.99Å; F254-V258 HydrophobicContact CZ-CG2 3.66Å; F254-V258 WeakPolarHBondContact O-CG2 3.33Å; F254-V258 PolarHBondContact O-N 2.94Å; T255-V258 PolarHBondContact O-N 3.27Å; V258-L260 PolarHBondContact O-N 2.8Å; V258-T261 PolarHBondContact O-N 3.15Å; V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.38Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.32Å; V258-L262 PolarHBondContact O-N 2.83Å |
| 259 | T | 96.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -47.6 | 176.9 | -67.1 | 0 | 0 | 0 | 0 | 112.2 | L217 T255 R256 M257 M263 Q303 | L217-T259 HydrophobicContact CD2-CG2 4.08Å; T255-T259 VanDerWaalsContact O-CB 3.28Å; T255-T259 WeakPolarHBondContact O-CB 3.47Å; T255-T259 PolarHBondContact O-N 3.46Å; T255-T259 PolarHBondContact O-OG1 2.98Å; R256-T259 PolarHBondContact O-N 2.69Å; M257-T259 PolarHBondContact O-N 3.19Å; T259-M263 VanDerWaalsContact O-CB 3.27Å; T259-M263 WeakPolarHBondContact O-CB 3.34Å; T259-M263 PolarHBondContact O-N 3.49Å; T259-M263 VanDerWaalsContact O-N 3.09Å; T259-Q303 HydrophobicContact CG2-CG 4.19Å |
| 260 | L | 96.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -46.6 | 178.7 | -73 | 170 | 0 | 0 | 0 | 111.6 | R256 M257 V258 L262 M263 F264 Q303 | R256-L260 WeakPolarHBondContact O-CG 3.32Å; R256-L260 PolarHBondContact O-N 3.35Å; M257-L260 PolarHBondContact O-N 2.91Å; V258-L260 PolarHBondContact O-N 2.8Å; L260-L262 PolarHBondContact O-N 3.46Å; L260-M263 PolarHBondContact O-N 3.3Å; L260-F264 WeakPolarHBondContact O-CD2 3.41Å; L260-F264 PolarHBondContact O-N 2.93Å; L260-Q303 HydrophobicContact CD1-CB 4.41Å; L260-Q303 HydrophobicContact CD2-CB 3.99Å; L260-Q303 HydrophobicContact CD2-CG 3.74Å; L260-Q303 HydrophobicContact CG-CB 4.3Å; L260-Q303 HydrophobicContact CG-CG 4.06Å |
| 261 | T | 95.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 57% | 0.571 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.8 | -47.6 | 178.8 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | M257 V258 M263 L265 | M257-T261 WeakPolarHBondContact O-CB 3.46Å; M257-T261 PolarHBondContact O-N 3.46Å; M257-T261 PolarHBondContact O-OG1 2.83Å; M257-T261 VanDerWaalsContact O-OG1 3.05Å; V258-T261 PolarHBondContact O-N 3.15Å; T261-M263 PolarHBondContact O-N 3.48Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 PolarHBondContact O-N 3.23Å |
| 262 | L | 95.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.8 | -39.4 | 177.8 | -72 | 176 | 0 | 0 | 0 | 112.3 | L147 V216 L217 L220 V258 L260 L265 A266 | L147-L262 HydrophobicContact CD1-CD2 4.36Å; V216-L262 HydrophobicContact CG1-CD1 3.69Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L220-L262 HydrophobicContact CD1-CD1 3.95Å; V258-L262 HydrophobicContact CG1-CD1 3.72Å; V258-L262 HydrophobicContact CG1-CG 4.14Å; V258-L262 WeakPolarHBondContact O-CB 3.38Å; V258-L262 VanDerWaalsContact O-CG 3.32Å; V258-L262 WeakPolarHBondContact O-CG 3.32Å; V258-L262 PolarHBondContact O-N 2.83Å; L260-L262 PolarHBondContact O-N 3.46Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-A266 VanDerWaalsContact O-CB 3.27Å; L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 2.95Å |
| 263 | M | 95.3 | Very high | 96 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 179.3 | -177.1 | 62.4 | -163.5 | 0 | 0 | 112 | V213 L217 T259 L260 T261 V267 G268 V295 L296 V299 | V213-M263 HydrophobicContact CG1-SD 4.48Å; L217-M263 HydrophobicContact CD1-CB 4.46Å; L217-M263 HydrophobicContact CD1-SD 4.25Å; T259-M263 VanDerWaalsContact O-CB 3.27Å; T259-M263 WeakPolarHBondContact O-CB 3.34Å; T259-M263 PolarHBondContact O-N 3.49Å; T259-M263 VanDerWaalsContact O-N 3.09Å; L260-M263 PolarHBondContact O-N 3.3Å; T261-M263 PolarHBondContact O-N 3.48Å; M263-V267 HydrophobicContact CE-CB 3.62Å; M263-V267 HydrophobicContact CE-CG1 3.83Å; M263-V267 HydrophobicContact CE-CG2 3.61Å; M263-V267 WeakPolarHBondContact O-CB 3.33Å; M263-V267 PolarHBondContact O-N 3.37Å; M263-V267 HydrophobicContact SD-CB 4.23Å; M263-V267 HydrophobicContact SD-CG2 3.84Å; M263-G268 PolarHBondContact O-N 2.89Å; M263-V295 HydrophobicContact CE-CB 4.05Å; M263-V295 HydrophobicContact CE-CG1 3.5Å; M263-V295 VanDerWaalsContact CE-CG1 3.5Å; M263-L296 HydrophobicContact CE-CD2 3.9Å; M263-L296 HydrophobicContact CE-CG 4.02Å; M263-L296 HydrophobicContact CG-CD2 3.94Å; M263-V299 HydrophobicContact CB-CG1 4.35Å; M263-V299 HydrophobicContact CE-CG2 4.2Å; M263-V299 HydrophobicContact CG-CB 4.13Å; M263-V299 HydrophobicContact CG-CG1 3.96Å; M263-V299 HydrophobicContact CG-CG2 4.26Å; M263-V299 HydrophobicContact SD-CG2 4.12Å |
| 264 | F | 95.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 52 Ų | 52 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -65.7 | -39.9 | 174.2 | -87.4 | -78.6 | 0 | 0 | 0 | 112.1 | L260 G268 F269 L296 | L260-F264 WeakPolarHBondContact O-CD2 3.41Å; L260-F264 PolarHBondContact O-N 2.93Å; F264-G268 CarbonylContact O-C 3.51Å; F264-G268 WeakPolarHBondContact O-CA 3.5Å; F264-G268 PolarHBondContact O-N 2.84Å; F264-F269 WeakPolarHBondContact O-CD2 3.38Å; F264-F269 PolarHBondContact O-N 3Å; F264-L296 HydrophobicContact CD1-CD2 4.07Å; F264-L296 HydrophobicContact CE1-CD2 4.22Å; F264-L296 HydrophobicContact CG-CD2 4.3Å |
| 265 | L | 95.9 | Very high | 95.4 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | I | π-helix | trans | -63.6 | -51.7 | 177.5 | -177.5 | 63.2 | 0 | 0 | 0 | 111.5 | W148 T261 L262 F269 G270 | W148-L265 HydrophobicContact CH2-CD1 4.11Å; W148-L265 HydrophobicContact CH2-CD2 3.73Å; W148-L265 HydrophobicContact CH2-CG 3.58Å; W148-L265 HydrophobicContact CZ2-CG 4.48Å; W148-L265 HydrophobicContact CZ3-CD2 3.89Å; W148-L265 HydrophobicContact CZ3-CG 3.71Å; T261-L265 WeakPolarHBondContact O-CB 3.24Å; T261-L265 PolarHBondContact O-N 3.23Å; L262-L265 PolarHBondContact O-N 3.33Å; L265-F269 PolarHBondContact O-N 3.15Å; L265-G270 PolarHBondContact O-N 2.92Å |
| 266 | A | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -74 | -52.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | W148 V213 L262 G270 L271 | W148-A266 HydrophobicContact CB-CB 4.34Å; W148-A266 HydrophobicContact CD2-CB 4.4Å; W148-A266 VanDerWaalsContact CE3-CA 3.45Å; W148-A266 HydrophobicContact CE3-CB 3.61Å; W148-A266 HydrophobicContact CZ3-CB 4.31Å; V213-A266 HydrophobicContact CG2-CB 3.6Å; L262-A266 VanDerWaalsContact O-CB 3.27Å; L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 2.95Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 WeakPolarHBondContact O-CA 3.48Å; A266-G270 PolarHBondContact O-N 2.96Å; A266-L271 PolarHBondContact O-N 3.36Å |
| 267 | V | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -93 | -36.7 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | L210 M263 L271 R292 L296 | L210-V267 HydrophobicContact CD2-CG2 4.44Å; M263-V267 HydrophobicContact CE-CB 3.62Å; M263-V267 HydrophobicContact CE-CG1 3.83Å; M263-V267 HydrophobicContact CE-CG2 3.61Å; M263-V267 WeakPolarHBondContact O-CB 3.33Å; M263-V267 PolarHBondContact O-N 3.37Å; M263-V267 HydrophobicContact SD-CB 4.23Å; M263-V267 HydrophobicContact SD-CG2 3.84Å; V267-L271 HydrophobicContact CB-CD1 4.48Å; V267-L271 HydrophobicContact CG1-CD1 4.41Å; V267-L271 HydrophobicContact CG2-CD1 4.15Å; V267-R292 HydrophobicContact CG1-CB 4.05Å; V267-R292 HydrophobicContact CG1-CG 4.1Å; V267-R292 WeakPolarHBondContact O-CD 3.47Å; V267-L296 HydrophobicContact CG1-CD1 4.46Å; V267-L296 HydrophobicContact CG1-CG 4.18Å |
| 268 | G | 95.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -75.1 | -39.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | M263 F264 A272 | M263-G268 PolarHBondContact O-N 2.89Å; F264-G268 CarbonylContact O-C 3.51Å; F264-G268 WeakPolarHBondContact O-CA 3.5Å; F264-G268 PolarHBondContact O-N 2.84Å; G268-A272 WeakPolarHBondContact O-CB 3.46Å |
| 269 | F | 95.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -110.6 | -47.4 | -179.3 | -66.9 | -69.9 | 0 | 0 | 0 | 113.6 | F264 L265 R273 | F264-F269 WeakPolarHBondContact O-CD2 3.38Å; F264-F269 PolarHBondContact O-N 3Å; L265-F269 PolarHBondContact O-N 3.15Å; F269-R273 WeakPolarHBondContact O-CB 3.19Å; F269-R273 VanDerWaalsContact O-CG 3.25Å; F269-R273 WeakPolarHBondContact O-CG 3.41Å; F269-R273 PolarHBondContact O-N 3.41Å; F269-R273 VanDerWaalsContact O-N 3.11Å |
| 270 | G | 95.4 | Very high | 94.7 | Very high | 8 Ų | 8 | 62 Ų | 62 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -60.7 | -65.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L265 A266 A272 R273 A274 | L265-G270 PolarHBondContact O-N 2.92Å; A266-G270 CarbonylContact O-C 3.57Å; A266-G270 WeakPolarHBondContact O-CA 3.48Å; A266-G270 PolarHBondContact O-N 2.96Å; G270-A272 VanDerWaalsContact C-N 3.25Å; G270-A272 PolarHBondContact O-N 2.83Å; G270-R273 PolarHBondContact O-N 3.47Å; G270-R273 VanDerWaalsContact O-N 3.09Å; G270-A274 PolarHBondContact O-N 2.86Å; G270-A274 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 95.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 177.6 | -64.8 | -176.6 | 0 | 0 | 0 | 113.4 | W148 Y151 L210 A266 V267 R273 A274 N287 | W148-L271 HydrophobicContact CB-CD2 3.99Å; W148-L271 HydrophobicContact CB-CG 4.2Å; Y151-L271 VanDerWaalsContact CB-CD2 3.44Å; Y151-L271 HydrophobicContact CD1-CD2 3.8Å; Y151-L271 HydrophobicContact CD2-CD1 4.45Å; Y151-L271 HydrophobicContact CD2-CD2 4.03Å; Y151-L271 HydrophobicContact CG-CD2 3.45Å; Y151-L271 VanDerWaalsContact CG-CD2 3.45Å; L210-L271 HydrophobicContact CD2-CD1 3.59Å; A266-L271 PolarHBondContact O-N 3.36Å; V267-L271 HydrophobicContact CB-CD1 4.48Å; V267-L271 HydrophobicContact CG1-CD1 4.41Å; V267-L271 HydrophobicContact CG2-CD1 4.15Å; L271-R273 PolarHBondContact O-N 3.16Å; L271-A274 PolarHBondContact O-N 3.16Å; L271-N287 PolarHBondContact O-ND2 3.35Å; L271-N287 PolarHBondContact O-OD1 3.05Å |
| 272 | A | 94.5 | Very high | 94.2 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 26% | 0.264 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -73.7 | -12.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G268 G270 Q277 | G268-A272 WeakPolarHBondContact O-CB 3.46Å; G270-A272 VanDerWaalsContact C-N 3.25Å; G270-A272 PolarHBondContact O-N 2.83Å; A272-Q277 PolarHBondContact O-NE2 3.5Å |
| 273 | R | 94 | Very high | 94.1 | Very high | 216 Ų | 216 | 75.4 Ų | 75.4 | 82% | 0.815 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -108.7 | -5.1 | 173.9 | -67.4 | 178.4 | 73.6 | 174.4 | 4.7 | 113.3 | F269 G270 L271 | F269-R273 WeakPolarHBondContact O-CB 3.19Å; F269-R273 VanDerWaalsContact O-CG 3.25Å; F269-R273 WeakPolarHBondContact O-CG 3.41Å; F269-R273 PolarHBondContact O-N 3.41Å; F269-R273 VanDerWaalsContact O-N 3.11Å; G270-R273 PolarHBondContact O-N 3.47Å; G270-R273 VanDerWaalsContact O-N 3.09Å; L271-R273 PolarHBondContact O-N 3.16Å |
| 274 | A | 92.8 | Very high | 94 | Very high | 28 Ų | 28 | 75.4 Ų | 75.4 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -67.8 | 147.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G270 L271 N276 Q277 | G270-A274 PolarHBondContact O-N 2.86Å; G270-A274 VanDerWaalsContact O-N 3.16Å; L271-A274 PolarHBondContact O-N 3.16Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 WeakPolarHBondContact CB-OD1 3.43Å; A274-Q277 WeakPolarHBondContact O-CG 3.28Å; A274-Q277 PolarHBondContact O-NE2 3.46Å |
| 275 | E | 90.1 | Very high | 94 | Very high | 199 Ų | 199 | 71.7 Ų | 71.7 | 93% | 0.93 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.8 | -29.6 | -176.7 | -61.7 | 179.3 | 169.2 | 0 | 0 | 112.4 | Q277 | E275-Q277 PolarHBondContact O-N 3.39Š|
| 276 | N | 89.8 | Confident | 94 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 30% | 0.299 | 34% | 0.344 | S | S | . | . | trans | -79.7 | 47.3 | -175.6 | 67.7 | -12.4 | 0 | 0 | 0 | 114.1 | Y151 A274 G278 N285 N287 | Y151-N276 PolarHBondContact O-ND2 3.22Å; A274-N276 VanDerWaalsContact C-N 3.34Å; A274-N276 WeakPolarHBondContact CB-OD1 3.43Å; N276-G278 PolarHBondContact O-N 2.83Å; N276-N285 PolarHBondContact O-ND2 2.96Å; N276-N287 PolarHBondContact OD1-ND2 3.41Å | ||
| 277 | Q | 93.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 68.8 Ų | 68.8 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | trans | -75.6 | 117.8 | 177.8 | -51.4 | -155.6 | 33 | 0 | 0 | 110.9 | A272 A274 E275 N287 | A272-Q277 PolarHBondContact O-NE2 3.5Å; A274-Q277 WeakPolarHBondContact O-CG 3.28Å; A274-Q277 PolarHBondContact O-NE2 3.46Å; E275-Q277 PolarHBondContact O-N 3.39Å; Q277-N287 WeakPolarHBondContact CA-O 3.35Å | ||
| 278 | G | 93.6 | Very high | 94.1 | Very high | 26 Ų | 26 | 70.3 Ų | 70.3 | 27% | 0.268 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 169.7 | -176.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | N276 N287 T288 | N276-G278 PolarHBondContact O-N 2.83Å; G278-N287 PolarHBondContact N-O 3.35Å; G278-N287 VanDerWaalsContact N-O 3.11Å; G278-N287 CarbonylContact O-C 3.33Å; G278-N287 VanDerWaalsContact O-C 3.25Å; G278-N287 PolarHBondContact O-N 3.1Å; G278-T288 VanDerWaalsContact O-CG2 3.28Å; G278-T288 WeakPolarHBondContact O-CG2 3.42Å; G278-T288 PolarHBondContact O-N 3.06Å |
| 279 | L | 96.2 | Very high | 94.2 | Very high | 88 Ų | 88 | 73.4 Ų | 73.4 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | trans | -125.1 | 116.5 | 169.7 | 179 | 65.6 | 0 | 0 | 0 | 107.7 | W281 N285 F286 T288 I291 | L279-W281 HydrophobicContact CD1-CZ2 4.4Å; L279-W281 HydrophobicContact CD2-CZ2 4.35Å; L279-N285 WeakPolarHBondContact CA-O 3.49Å; L279-F286 HydrophobicContact CD1-CD1 3.58Å; L279-F286 HydrophobicContact CD1-CE1 4.11Å; L279-T288 HydrophobicContact CB-CG2 3.79Å; L279-I291 HydrophobicContact CD1-CD1 4.25Å | ||
| 280 | D | 95.1 | Very high | 94.3 | Very high | 56 Ų | 56 | 73.4 Ų | 73.4 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 114.9 | 175.9 | -173.3 | -38.2 | 0 | 0 | 0 | 107.8 | D282 L283 G284 N285 | D280-D282 PolarHBondContact OD1-N 3.15Å; D280-L283 HydrophobicContact CB-CB 4.21Å; D280-L283 PolarHBondContact OD1-N 3.29Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CG 3.42Å; D280-G284 CarbonylContact O-C 3.46Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.15Å; D280-N285 HydrophobicContact CB-CB 4.14Å; D280-N285 PolarHBondContact N-O 2.94Å; D280-N285 PolarHBondContact O-N 3.29Å |
| 281 | W | 92.6 | Very high | 94.4 | Very high | 176 Ų | 176 | 74.9 Ų | 74.9 | 67% | 0.667 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -31.7 | -176.5 | -66.4 | 90.8 | 0 | 0 | 0 | 112.4 | L279 G284 F286 | L279-W281 HydrophobicContact CD1-CZ2 4.4Å; L279-W281 HydrophobicContact CD2-CZ2 4.35Å; W281-G284 PolarHBondContact O-N 3.16Å; W281-F286 HydrophobicContact CD2-CE1 4.14Å; W281-F286 AromaticContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CZ 4Å; W281-F286 HydrophobicContact CH2-CE1 4.07Å; W281-F286 AromaticContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CZ 4.13Å |
| 282 | D | 91.1 | Very high | 94.4 | Very high | 163 Ų | 163 | 75.4 Ų | 75.4 | 87% | 0.872 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -36.9 | -176 | -61.5 | -44.1 | 0 | 0 | 0 | 110.7 | D280 G284 | D280-D282 PolarHBondContact OD1-N 3.15Å; D282-G284 VanDerWaalsContact C-N 3.31Å |
| 283 | L | 92 | Very high | 94.6 | Very high | 115 Ų | 115 | 79.2 Ų | 79.2 | 60% | 0.602 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -3.3 | 169.9 | -59.6 | -176.7 | 0 | 0 | 0 | 113.4 | P152 V154 D280 N285 | P152-L283 VanDerWaalsContact CG-O 3.28Å; P152-L283 WeakPolarHBondContact CG-O 3.48Å; V154-L283 WeakPolarHBondContact CG2-O 3.24Å; D280-L283 HydrophobicContact CB-CB 4.21Å; D280-L283 PolarHBondContact OD1-N 3.29Å; D280-L283 WeakPolarHBondContact OD2-CD1 3.36Å; D280-L283 WeakPolarHBondContact OD2-CG 3.42Å; L283-N285 PolarHBondContact O-N 3.28Å |
| 284 | G | 93.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 72.7 Ų | 72.7 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 26.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P152 N209 D280 W281 D282 F286 | P152-G284 WeakPolarHBondContact CB-O 3.34Å; N209-G284 PolarHBondContact ND2-O 2.87Å; D280-G284 CarbonylContact O-C 3.46Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.15Å; W281-G284 PolarHBondContact O-N 3.16Å; D282-G284 VanDerWaalsContact C-N 3.31Å; G284-F286 VanDerWaalsContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CD2 3.47Å; G284-F286 WeakPolarHBondContact O-CE2 3.21Å |
| 285 | N | 96.4 | Very high | 95 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -89.4 | 114.1 | 179.1 | -178.4 | 13.3 | 0 | 0 | 0 | 110.7 | Y151 P152 N276 L279 D280 L283 N287 | Y151-N285 WeakPolarHBondContact CE1-OD1 3.41Å; P152-N285 HydrophobicContact CG-CB 4.13Å; N276-N285 PolarHBondContact O-ND2 2.96Å; L279-N285 WeakPolarHBondContact CA-O 3.49Å; D280-N285 HydrophobicContact CB-CB 4.14Å; D280-N285 PolarHBondContact N-O 2.94Å; D280-N285 PolarHBondContact O-N 3.29Å; L283-N285 PolarHBondContact O-N 3.28Å; N285-N287 WeakPolarHBondContact OD1-CB 3.25Å; N285-N287 PolarHBondContact OD1-N 3.48Å |
| 286 | F | 96.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -109.9 | 20.5 | 177.5 | -56.7 | -78.6 | 0 | 0 | 0 | 113 | Y151 L207 L208 L279 W281 G284 T288 I291 | Y151-F286 WeakPolarHBondContact OH-CB 3.38Å; Y151-F286 PolarHBondContact OH-N 3.37Å; Y151-F286 VanDerWaalsContact OH-N 3.15Å; L207-F286 WeakPolarHBondContact O-CE2 3.43Å; L208-F286 HydrophobicContact CB-CD2 4.41Å; L208-F286 HydrophobicContact CD2-CB 4.03Å; L208-F286 HydrophobicContact CD2-CD1 4.19Å; L208-F286 HydrophobicContact CD2-CD2 4.26Å; L208-F286 HydrophobicContact CD2-CG 3.88Å; L279-F286 HydrophobicContact CD1-CD1 3.58Å; L279-F286 HydrophobicContact CD1-CE1 4.11Å; W281-F286 HydrophobicContact CD2-CE1 4.14Å; W281-F286 AromaticContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CE1 3.63Å; W281-F286 HydrophobicContact CE3-CZ 4Å; W281-F286 HydrophobicContact CH2-CE1 4.07Å; W281-F286 AromaticContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CE1 3.6Å; W281-F286 HydrophobicContact CZ3-CZ 4.13Å; G284-F286 VanDerWaalsContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CD2 3.47Å; G284-F286 WeakPolarHBondContact O-CE2 3.21Å; F286-T288 PolarHBondContact O-N 3.02Å; F286-I291 HydrophobicContact CB-CD1 3.92Å; F286-I291 HydrophobicContact CB-CG2 4.38Å; F286-I291 HydrophobicContact CD1-CD1 4.3Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å | ||
| 287 | N | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | trans | -76.9 | 56.9 | -172.2 | -165.8 | 17.2 | 0 | 0 | 0 | 114.3 | Y151 L271 N276 Q277 G278 N285 R292 | Y151-N287 HydrophobicContact CD1-CB 4.24Å; Y151-N287 HydrophobicContact CE1-CB 3.86Å; L271-N287 PolarHBondContact O-ND2 3.35Å; L271-N287 PolarHBondContact O-OD1 3.05Å; N276-N287 PolarHBondContact OD1-ND2 3.41Å; Q277-N287 WeakPolarHBondContact CA-O 3.35Å; G278-N287 PolarHBondContact N-O 3.35Å; G278-N287 VanDerWaalsContact N-O 3.11Å; G278-N287 CarbonylContact O-C 3.33Å; G278-N287 VanDerWaalsContact O-C 3.25Å; G278-N287 PolarHBondContact O-N 3.1Å; N285-N287 WeakPolarHBondContact OD1-CB 3.25Å; N285-N287 PolarHBondContact OD1-N 3.48Å; N287-R292 PolarHBondContact O-NH1 3.2Å; N287-R292 WeakPolarHBondContact OD1-CD 3.39Å; N287-R292 PolarHBondContact OD1-NH1 3.06Å | ||
| 288 | T | 96.9 | Very high | 96 | Very high | 33 Ų | 33 | 62.9 Ų | 62.9 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | trans | -97.4 | 152.8 | 172.2 | 65 | 0 | 0 | 0 | 0 | 111.8 | G278 L279 F286 L290 I291 R292 | G278-T288 VanDerWaalsContact O-CG2 3.28Å; G278-T288 WeakPolarHBondContact O-CG2 3.42Å; G278-T288 PolarHBondContact O-N 3.06Å; L279-T288 HydrophobicContact CB-CG2 3.79Å; F286-T288 PolarHBondContact O-N 3.02Å; T288-L290 PolarHBondContact O-N 3.13Å; T288-I291 PolarHBondContact O-N 3.16Å; T288-I291 WeakPolarHBondContact OG1-CB 3.27Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.33Å; T288-I291 PolarHBondContact OG1-N 3.16Å; T288-I291 VanDerWaalsContact OG1-N 3.15Å; T288-R292 WeakPolarHBondContact O-CB 3.34Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 2.94Å | ||
| 289 | V | 96.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 62 Ų | 62 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.3 | -43.4 | 172.7 | 179 | 0 | 0 | 0 | 0 | 111 | R292 M293 | V289-R292 PolarHBondContact O-N 3.28Å; V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 WeakPolarHBondContact O-CB 3.41Å; V289-M293 WeakPolarHBondContact O-CG 3.39Å; V289-M293 PolarHBondContact O-N 2.75Å |
| 290 | L | 97.3 | Very high | 96.2 | Very high | 130 Ų | 130 | 59.3 Ų | 59.3 | 68% | 0.681 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.5 | -53.9 | -180 | -178.2 | 63 | 0 | 0 | 0 | 111.3 | T288 R292 M293 T294 | T288-L290 PolarHBondContact O-N 3.13Å; L290-R292 PolarHBondContact O-N 2.76Å; L290-M293 PolarHBondContact O-N 2.86Å; L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.14Å; L290-T294 VanDerWaalsContact O-OG1 3.05Å |
| 291 | I | 97.1 | Very high | 96.3 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.205 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.3 | -45.3 | -179.1 | -66.5 | 173.7 | 0 | 0 | 0 | 110.6 | L208 L279 F286 T288 M293 T294 V295 | L208-I291 HydrophobicContact CD1-CG2 4.05Å; L208-I291 HydrophobicContact CD2-CG2 4.26Å; L279-I291 HydrophobicContact CD1-CD1 4.25Å; F286-I291 HydrophobicContact CB-CD1 3.92Å; F286-I291 HydrophobicContact CB-CG2 4.38Å; F286-I291 HydrophobicContact CD1-CD1 4.3Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å; T288-I291 PolarHBondContact O-N 3.16Å; T288-I291 WeakPolarHBondContact OG1-CB 3.27Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.33Å; T288-I291 PolarHBondContact OG1-N 3.16Å; T288-I291 VanDerWaalsContact OG1-N 3.15Å; I291-M293 VanDerWaalsContact C-N 3.34Å; I291-M293 PolarHBondContact O-N 2.83Å; I291-T294 PolarHBondContact O-N 3.28Å; I291-V295 HydrophobicContact CG2-CG2 4.25Å; I291-V295 WeakPolarHBondContact O-CG2 3.16Å; I291-V295 PolarHBondContact O-N 3.39Å |
| 292 | R | 97.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 54 Ų | 54 | 6% | 0.06 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.1 | -49.5 | 175.4 | -70.2 | -169.2 | -59.4 | -104.9 | 13.5 | 111.5 | V267 N287 T288 V289 L290 V295 L296 | V267-R292 HydrophobicContact CG1-CB 4.05Å; V267-R292 HydrophobicContact CG1-CG 4.1Å; V267-R292 WeakPolarHBondContact O-CD 3.47Å; N287-R292 PolarHBondContact O-NH1 3.2Å; N287-R292 WeakPolarHBondContact OD1-CD 3.39Å; N287-R292 PolarHBondContact OD1-NH1 3.06Å; T288-R292 WeakPolarHBondContact O-CB 3.34Å; T288-R292 WeakPolarHBondContact O-CG 3.43Å; T288-R292 PolarHBondContact O-N 2.94Å; V289-R292 PolarHBondContact O-N 3.28Å; L290-R292 PolarHBondContact O-N 2.76Å; R292-V295 PolarHBondContact O-N 3.44Å; R292-L296 WeakPolarHBondContact O-CB 3.27Å; R292-L296 WeakPolarHBondContact O-CD1 3.23Å; R292-L296 VanDerWaalsContact O-CG 3.25Å; R292-L296 WeakPolarHBondContact O-CG 3.4Å; R292-L296 PolarHBondContact O-N 2.87Å |
| 293 | M | 97.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 46.8 Ų | 46.8 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | -179.6 | -66.1 | -60.3 | 169.4 | 0 | 0 | 112.6 | V289 L290 I291 L296 L297 | V289-M293 HydrophobicContact CG1-CG 4.16Å; V289-M293 WeakPolarHBondContact O-CB 3.41Å; V289-M293 WeakPolarHBondContact O-CG 3.39Å; V289-M293 PolarHBondContact O-N 2.75Å; L290-M293 PolarHBondContact O-N 2.86Å; I291-M293 VanDerWaalsContact C-N 3.34Å; I291-M293 PolarHBondContact O-N 2.83Å; M293-L296 HydrophobicContact SD-CD1 4.11Å; M293-L297 WeakPolarHBondContact O-CB 3.36Å; M293-L297 PolarHBondContact O-N 3.47Å |
| 294 | T | 98.1 | Very high | 97 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 112 | L290 I291 L297 L298 | L290-T294 WeakPolarHBondContact O-CB 3.49Å; L290-T294 PolarHBondContact O-N 3.05Å; L290-T294 PolarHBondContact O-OG1 3.14Å; L290-T294 VanDerWaalsContact O-OG1 3.05Å; I291-T294 PolarHBondContact O-N 3.28Å; T294-L297 PolarHBondContact O-N 2.95Å; T294-L298 VanDerWaalsContact O-CB 3.31Å; T294-L298 WeakPolarHBondContact O-CB 3.28Å; T294-L298 PolarHBondContact O-N 3.03Å |
| 295 | V | 97.8 | Very high | 97.1 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | L208 L210 M263 I291 R292 L298 V299 | L208-V295 HydrophobicContact CD1-CG2 3.61Å; L210-V295 HydrophobicContact CD1-CG1 4.32Å; L210-V295 HydrophobicContact CD1-CG2 4.42Å; M263-V295 HydrophobicContact CE-CB 4.05Å; M263-V295 HydrophobicContact CE-CG1 3.5Å; M263-V295 VanDerWaalsContact CE-CG1 3.5Å; I291-V295 HydrophobicContact CG2-CG2 4.25Å; I291-V295 WeakPolarHBondContact O-CG2 3.16Å; I291-V295 PolarHBondContact O-N 3.39Å; R292-V295 PolarHBondContact O-N 3.44Å; V295-L298 PolarHBondContact O-N 2.88Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.27Å |
| 296 | L | 97.7 | Very high | 97 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -48.7 | 172.8 | -76.3 | 163.1 | 0 | 0 | 0 | 111.8 | M263 F264 V267 R292 M293 V299 C300 | M263-L296 HydrophobicContact CE-CD2 3.9Å; M263-L296 HydrophobicContact CE-CG 4.02Å; M263-L296 HydrophobicContact CG-CD2 3.94Å; F264-L296 HydrophobicContact CD1-CD2 4.07Å; F264-L296 HydrophobicContact CE1-CD2 4.22Å; F264-L296 HydrophobicContact CG-CD2 4.3Å; V267-L296 HydrophobicContact CG1-CD1 4.46Å; V267-L296 HydrophobicContact CG1-CG 4.18Å; R292-L296 WeakPolarHBondContact O-CB 3.27Å; R292-L296 WeakPolarHBondContact O-CD1 3.23Å; R292-L296 VanDerWaalsContact O-CG 3.25Å; R292-L296 WeakPolarHBondContact O-CG 3.4Å; R292-L296 PolarHBondContact O-N 2.87Å; M293-L296 HydrophobicContact SD-CD1 4.11Å; L296-V299 PolarHBondContact O-N 3.42Å; L296-C300 VanDerWaalsContact O-CB 3.29Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.32Å; L296-C300 PolarHBondContact O-SG 2.96Å |
| 297 | L | 97.9 | Very high | 97 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 178.4 | 179.5 | 63 | 0 | 0 | 0 | 111.7 | M293 T294 V299 C300 L301 | M293-L297 WeakPolarHBondContact O-CB 3.36Å; M293-L297 PolarHBondContact O-N 3.47Å; T294-L297 PolarHBondContact O-N 2.95Å; L297-V299 PolarHBondContact O-N 3.31Å; L297-C300 PolarHBondContact O-N 3.35Å; L297-L301 HydrophobicContact CD1-CD1 3.93Å; L297-L301 HydrophobicContact CD1-CG 3.96Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.31Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 2.93Å |
| 298 | L | 97.7 | Very high | 97 | Very high | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 177.5 | 171.7 | 61.7 | 0 | 0 | 0 | 111.9 | L200 T294 V295 T302 | L200-L298 HydrophobicContact CD1-CD2 4.48Å; L200-L298 HydrophobicContact CD2-CD1 3.6Å; L200-L298 HydrophobicContact CD2-CD2 4.07Å; L200-L298 HydrophobicContact CD2-CG 4.49Å; L200-L298 HydrophobicContact CG-CD1 4.35Å; L200-L298 HydrophobicContact CG-CD2 3.96Å; T294-L298 VanDerWaalsContact O-CB 3.31Å; T294-L298 WeakPolarHBondContact O-CB 3.28Å; T294-L298 PolarHBondContact O-N 3.03Å; V295-L298 PolarHBondContact O-N 2.88Å; L298-T302 WeakPolarHBondContact O-CB 3.37Å; L298-T302 PolarHBondContact O-N 3.45Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.48Å |
| 299 | V | 97.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 177.1 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | M263 V295 L296 L297 L301 T302 Q303 | M263-V299 HydrophobicContact CB-CG1 4.35Å; M263-V299 HydrophobicContact CE-CG2 4.2Å; M263-V299 HydrophobicContact CG-CB 4.13Å; M263-V299 HydrophobicContact CG-CG1 3.96Å; M263-V299 HydrophobicContact CG-CG2 4.26Å; M263-V299 HydrophobicContact SD-CG2 4.12Å; V295-V299 WeakPolarHBondContact O-CG2 3.48Å; V295-V299 PolarHBondContact O-N 3.27Å; L296-V299 PolarHBondContact O-N 3.42Å; L297-V299 PolarHBondContact O-N 3.31Å; V299-L301 PolarHBondContact O-N 2.84Å; V299-T302 PolarHBondContact O-N 2.87Å; V299-T302 VanDerWaalsContact O-N 3.13Å; V299-Q303 HydrophobicContact CG1-CG 4.03Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.1Å; V299-Q303 PolarHBondContact O-N 3.14Å |
| 300 | C | 97.3 | Very high | 96.7 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 180 | -76.1 | 0 | 0 | 0 | 0 | 113 | L296 L297 T302 Q303 S304 | L296-C300 VanDerWaalsContact O-CB 3.29Å; L296-C300 WeakPolarHBondContact O-CB 3.34Å; L296-C300 PolarHBondContact O-N 3.32Å; L296-C300 PolarHBondContact O-SG 2.96Å; L297-C300 PolarHBondContact O-N 3.35Å; C300-T302 VanDerWaalsContact C-N 3.33Å; C300-T302 PolarHBondContact O-N 3.09Å; C300-Q303 PolarHBondContact O-N 3.41Å; C300-S304 VanDerWaalsContact O-CB 3.31Å; C300-S304 WeakPolarHBondContact O-CB 3.28Å; C300-S304 PolarHBondContact O-N 3.47Å; C300-S304 PolarHBondContact O-OG 3.01Å |
| 301 | L | 97.5 | Very high | 96.5 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 56% | 0.555 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 176.1 | -72.3 | 173.5 | 0 | 0 | 0 | 111.4 | L297 V299 S304 W305 | L297-L301 HydrophobicContact CD1-CD1 3.93Å; L297-L301 HydrophobicContact CD1-CG 3.96Å; L297-L301 HydrophobicContact CG-CD1 3.87Å; L297-L301 HydrophobicContact CG-CG 4.31Å; L297-L301 WeakPolarHBondContact O-CB 3.38Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.33Å; L297-L301 PolarHBondContact O-N 2.93Å; V299-L301 PolarHBondContact O-N 2.84Å; L301-S304 PolarHBondContact O-N 3.48Å; L301-W305 WeakPolarHBondContact O-CB 3.27Å; L301-W305 PolarHBondContact O-N 3.19Å |
| 302 | T | 96.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68 | -43 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | L197 H201 L298 V299 C300 S304 W305 L306 | L197-T302 HydrophobicContact CD1-CG2 4.48Å; L197-T302 HydrophobicContact CD2-CG2 4.15Å; H201-T302 PolarHBondContact CE1-OG1 3.3Å; H201-T302 PolarHBondContact NE2-OG1 2.7Å; L298-T302 WeakPolarHBondContact O-CB 3.37Å; L298-T302 PolarHBondContact O-N 3.45Å; L298-T302 VanDerWaalsContact O-N 3.08Å; L298-T302 PolarHBondContact O-OG1 3.48Å; V299-T302 PolarHBondContact O-N 2.87Å; V299-T302 VanDerWaalsContact O-N 3.13Å; C300-T302 VanDerWaalsContact C-N 3.33Å; C300-T302 PolarHBondContact O-N 3.09Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.46Å; T302-W305 PolarHBondContact O-N 2.98Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.34Å; T302-L306 PolarHBondContact O-N 3.11Å |
| 303 | Q | 96.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.056 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 174 | -63.8 | -47.5 | -52.4 | 0 | 0 | 111.4 | R256 T259 L260 V299 C300 L306 L307 | R256-Q303 VanDerWaalsContact NE-OE1 3.12Å; T259-Q303 HydrophobicContact CG2-CG 4.19Å; L260-Q303 HydrophobicContact CD1-CB 4.41Å; L260-Q303 HydrophobicContact CD2-CB 3.99Å; L260-Q303 HydrophobicContact CD2-CG 3.74Å; L260-Q303 HydrophobicContact CG-CB 4.3Å; L260-Q303 HydrophobicContact CG-CG 4.06Å; V299-Q303 HydrophobicContact CG1-CG 4.03Å; V299-Q303 VanDerWaalsContact O-CG 3.31Å; V299-Q303 WeakPolarHBondContact O-CG 3.1Å; V299-Q303 PolarHBondContact O-N 3.14Å; C300-Q303 PolarHBondContact O-N 3.41Å; Q303-L306 PolarHBondContact O-N 2.73Å; Q303-L307 WeakPolarHBondContact O-CB 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.32Å; Q303-L307 PolarHBondContact O-N 3.26Å |
| 304 | S | 96.1 | Very high | 95.8 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 49% | 0.49 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | C300 L301 T302 L307 W308 | C300-S304 VanDerWaalsContact O-CB 3.31Å; C300-S304 WeakPolarHBondContact O-CB 3.28Å; C300-S304 PolarHBondContact O-N 3.47Å; C300-S304 PolarHBondContact O-OG 3.01Å; L301-S304 PolarHBondContact O-N 3.48Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.46Å; S304-L307 PolarHBondContact O-N 2.99Å; S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 2.9Å |
| 305 | W | 95.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 56.6 Ų | 56.6 | 24% | 0.242 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 174.7 | 177 | 85.1 | 0 | 0 | 0 | 112.4 | Q193 Y194 L197 L301 T302 W308 K309 | Q193-W305 HydrophobicContact CG-CZ2 4.32Å; Y194-W305 HydrophobicContact CD2-CH2 4.34Å; Y194-W305 HydrophobicContact CD2-CZ3 4.47Å; L197-W305 HydrophobicContact CD1-CD2 4.38Å; L197-W305 HydrophobicContact CD1-CE3 3.76Å; L197-W305 HydrophobicContact CD1-CH2 3.99Å; L197-W305 HydrophobicContact CD1-CZ3 3.54Å; L301-W305 WeakPolarHBondContact O-CB 3.27Å; L301-W305 PolarHBondContact O-N 3.19Å; T302-W305 PolarHBondContact O-N 2.98Å; W305-W308 PolarHBondContact O-N 3.23Å; W305-K309 WeakPolarHBondContact O-CB 3.34Å; W305-K309 PolarHBondContact O-N 2.87Å |
| 306 | L | 95.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 63.1 Ų | 63.1 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 174.9 | -70.9 | 172 | 0 | 0 | 0 | 111.8 | F252 T302 Q303 K309 F310 | F252-L306 HydrophobicContact CZ-CB 4.26Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.34Å; T302-L306 PolarHBondContact O-N 3.11Å; Q303-L306 PolarHBondContact O-N 2.73Å; L306-K309 HydrophobicContact CD2-CD 4.48Å; L306-K309 WeakPolarHBondContact O-CB 3.17Å; L306-K309 PolarHBondContact O-N 2.94Å; L306-F310 WeakPolarHBondContact O-CB 3.44Å; L306-F310 PolarHBondContact O-N 3.03Å |
| 307 | L | 95.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 64.2 Ų | 64.2 | 28% | 0.277 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 172.3 | -77.9 | 165.1 | 0 | 0 | 0 | 111.5 | F252 R256 Q303 S304 F310 I311 | F252-L307 HydrophobicContact CE1-CD2 4.23Å; R256-L307 HydrophobicContact CB-CD2 4.45Å; R256-L307 HydrophobicContact CG-CD2 4.02Å; R256-L307 HydrophobicContact CG-CG 4.25Å; Q303-L307 WeakPolarHBondContact O-CB 3.27Å; Q303-L307 WeakPolarHBondContact O-CG 3.32Å; Q303-L307 PolarHBondContact O-N 3.26Å; S304-L307 PolarHBondContact O-N 2.99Å; L307-F310 WeakPolarHBondContact O-CB 3.43Å; L307-F310 PolarHBondContact O-N 3.48Å; L307-I311 WeakPolarHBondContact O-CB 3.08Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.98Å |
| 308 | W | 95.7 | Very high | 94.1 | Very high | 144 Ų | 144 | 66.1 Ų | 66.1 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 175.7 | -177.6 | -114 | 0 | 0 | 0 | 112.7 | S304 W305 R312 | S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 2.9Å; W305-W308 PolarHBondContact O-N 3.23Å; W308-R312 VanDerWaalsContact NE1-CZ 3.26Å; W308-R312 WeakPolarHBondContact O-CB 3.14Å; W308-R312 WeakPolarHBondContact O-CG 3.21Å; W308-R312 PolarHBondContact O-N 2.94Å |
| 309 | K | 93.9 | Very high | 93.7 | Very high | 80 Ų | 80 | 70.7 Ų | 70.7 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 171.8 | -179.8 | -170.5 | 170.6 | -161.5 | 0 | 110.8 | W305 L306 F313 | W305-K309 WeakPolarHBondContact O-CB 3.34Å; W305-K309 PolarHBondContact O-N 2.87Å; L306-K309 HydrophobicContact CD2-CD 4.48Å; L306-K309 WeakPolarHBondContact O-CB 3.17Å; L306-K309 PolarHBondContact O-N 2.94Å; K309-F313 WeakPolarHBondContact O-CB 3.44Å; K309-F313 PolarHBondContact O-N 2.94Å |
| 310 | F | 94.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 75 Ų | 75 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -50.1 | 176.7 | 170.4 | -94.9 | 0 | 0 | 0 | 112.6 | W248 A249 F252 V253 L306 L307 R312 F313 Q314 | W248-F310 AromaticContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CD2 3.66Å; W248-F310 HydrophobicContact CH2-CE2 4.17Å; W248-F310 HydrophobicContact CZ2-CD2 4.36Å; W248-F310 AromaticContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CD2 3.95Å; W248-F310 HydrophobicContact CZ3-CE2 4.03Å; A249-F310 HydrophobicContact CB-CE2 3.79Å; A249-F310 HydrophobicContact CB-CZ 3.93Å; F252-F310 HydrophobicContact CB-CE2 4.44Å; F252-F310 HydrophobicContact CD1-CB 4.11Å; F252-F310 HydrophobicContact CD1-CD1 4.22Å; F252-F310 AromaticContact CD1-CD2 3.37Å; F252-F310 HydrophobicContact CD1-CD2 3.37Å; F252-F310 AromaticContact CD1-CE2 3.73Å; F252-F310 HydrophobicContact CD1-CE2 3.73Å; F252-F310 AromaticContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CG 3.65Å; F252-F310 HydrophobicContact CD1-CZ 4.29Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.04Å; F252-F310 AromaticContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CD2 3.61Å; F252-F310 HydrophobicContact CE1-CE2 4.36Å; F252-F310 AromaticContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CE1-CG 3.41Å; F252-F310 VanDerWaalsContact CE1-CG 3.41Å; F252-F310 HydrophobicContact CG-CD2 4.01Å; F252-F310 HydrophobicContact CG-CE2 4.29Å; F252-F310 HydrophobicContact CZ-CB 3.75Å; F252-F310 HydrophobicContact CZ-CD2 4.39Å; F252-F310 HydrophobicContact CZ-CG 4.23Å; V253-F310 HydrophobicContact CG2-CE1 4.01Å; V253-F310 HydrophobicContact CG2-CZ 3.95Å; L306-F310 WeakPolarHBondContact O-CB 3.44Å; L306-F310 PolarHBondContact O-N 3.03Å; L307-F310 WeakPolarHBondContact O-CB 3.43Å; L307-F310 PolarHBondContact O-N 3.48Å; F310-R312 VanDerWaalsContact C-N 3.34Å; F310-R312 PolarHBondContact O-N 3.47Å; F310-F313 WeakPolarHBondContact O-CA 2.97Å; F310-F313 WeakPolarHBondContact O-CB 3.47Å; F310-F313 PolarHBondContact O-N 2.56Å; F310-F313 VanDerWaalsContact O-N 3.08Å; F310-Q314 HydrophobicContact CD1-CG 4.35Å; F310-Q314 HydrophobicContact CD2-CG 4.28Å; F310-Q314 HydrophobicContact CE1-CG 3.97Å; F310-Q314 HydrophobicContact CE2-CG 3.9Å; F310-Q314 VanDerWaalsContact CE2-NE2 3.3Å; F310-Q314 HydrophobicContact CG-CG 4.49Å; F310-Q314 HydrophobicContact CZ-CG 3.73Å; F310-Q314 WeakPolarHBondContact O-CG 3.42Å; F310-Q314 PolarHBondContact O-N 3.24Å |
| 311 | I | 93.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 78.9 Ų | 78.9 | 40% | 0.395 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.8 | -46.1 | 178.3 | -69.2 | 164.8 | 0 | 0 | 0 | 110.2 | L307 F313 Q314 L315 | L307-I311 WeakPolarHBondContact O-CB 3.08Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.5Å; L307-I311 PolarHBondContact O-N 2.98Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.1Å; I311-Q314 PolarHBondContact O-N 2.76Å; I311-L315 HydrophobicContact CG2-CD1 3.67Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 VanDerWaalsContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CB 3.29Å; I311-L315 VanDerWaalsContact O-CG 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.46Å |
| 312 | R | 94.3 | Very high | 92.3 | Very high | 135 Ų | 135 | 79.7 Ų | 79.7 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 176.6 | -71.2 | -167 | -62.4 | -175.9 | -0.4 | 113.1 | W308 F310 R316 | W308-R312 VanDerWaalsContact NE1-CZ 3.26Å; W308-R312 WeakPolarHBondContact O-CB 3.14Å; W308-R312 WeakPolarHBondContact O-CG 3.21Å; W308-R312 PolarHBondContact O-N 2.94Å; F310-R312 VanDerWaalsContact C-N 3.34Å; F310-R312 PolarHBondContact O-N 3.47Å; R312-R316 WeakPolarHBondContact O-CB 3.03Å; R312-R316 PolarHBondContact O-N 3.05Å; R312-R316 VanDerWaalsContact O-N 3.15Å |
| 313 | F | 91.6 | Very high | 91.9 | Very high | 63 Ų | 63 | 85.5 Ų | 85.5 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.5 | -50.6 | 173.2 | 175.9 | -98.3 | 0 | 0 | 0 | 111.6 | F228 F245 W248 K309 F310 I311 L315 R316 R317 | F228-F313 HydrophobicContact CE2-CE2 4.39Å; F228-F313 HydrophobicContact CE2-CZ 4.24Å; F245-F313 HydrophobicContact CD1-CE1 4.16Å; F245-F313 AromaticContact CD1-CZ 3.94Å; F245-F313 HydrophobicContact CD1-CZ 3.94Å; F245-F313 AromaticContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CE1-CZ 3.92Å; F245-F313 HydrophobicContact CG-CZ 4.38Å; F245-F313 HydrophobicContact CZ-CZ 4.32Å; W248-F313 HydrophobicContact CH2-CD1 4.45Å; W248-F313 AromaticContact CZ3-CD1 3.96Å; W248-F313 HydrophobicContact CZ3-CD1 3.96Å; W248-F313 AromaticContact CZ3-CE1 3.84Å; W248-F313 HydrophobicContact CZ3-CE1 3.84Å; K309-F313 WeakPolarHBondContact O-CB 3.44Å; K309-F313 PolarHBondContact O-N 2.94Å; F310-F313 WeakPolarHBondContact O-CA 2.97Å; F310-F313 WeakPolarHBondContact O-CB 3.47Å; F310-F313 PolarHBondContact O-N 2.56Å; F310-F313 VanDerWaalsContact O-N 3.08Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.1Å; F313-L315 PolarHBondContact O-N 2.91Å; F313-R316 WeakPolarHBondContact O-CB 3.49Å; F313-R316 PolarHBondContact O-N 2.89Å; F313-R316 VanDerWaalsContact O-N 3.13Å; F313-R317 PolarHBondContact O-N 3.37Å |
| 314 | Q | 91.2 | Very high | 91.4 | Very high | 41 Ų | 41 | 89 Ų | 89 | 19% | 0.192 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 179 | -62.5 | -61 | -1.9 | 0 | 0 | 112.4 | F310 I311 R316 R317 W318 | F310-Q314 HydrophobicContact CD1-CG 4.35Å; F310-Q314 HydrophobicContact CD2-CG 4.28Å; F310-Q314 HydrophobicContact CE1-CG 3.97Å; F310-Q314 HydrophobicContact CE2-CG 3.9Å; F310-Q314 VanDerWaalsContact CE2-NE2 3.3Å; F310-Q314 HydrophobicContact CG-CG 4.49Å; F310-Q314 HydrophobicContact CZ-CG 3.73Å; F310-Q314 WeakPolarHBondContact O-CG 3.42Å; F310-Q314 PolarHBondContact O-N 3.24Å; I311-Q314 PolarHBondContact O-N 2.76Å; Q314-R316 VanDerWaalsContact C-N 3.26Å; Q314-R316 PolarHBondContact O-N 3.29Å; Q314-R317 PolarHBondContact O-N 3.22Å; Q314-W318 WeakPolarHBondContact O-CB 3.22Å; Q314-W318 PolarHBondContact O-N 2.8Å |
| 315 | L | 91.2 | Very high | 91 | Very high | 82 Ų | 82 | 89.8 Ų | 89.8 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -27 | 174.2 | -71.3 | 176 | 0 | 0 | 0 | 113.2 | I311 F313 W318 R319 | I311-L315 HydrophobicContact CG2-CD1 3.67Å; I311-L315 HydrophobicContact CG2-CG 4.14Å; I311-L315 VanDerWaalsContact O-CB 3.32Å; I311-L315 WeakPolarHBondContact O-CB 3.29Å; I311-L315 VanDerWaalsContact O-CG 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.46Å; F313-L315 PolarHBondContact O-N 2.91Å; L315-W318 HydrophobicContact CD2-CE3 4.39Å; L315-R319 WeakPolarHBondContact O-CG 3.14Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 PolarHBondContact O-NE 3.29Å |
| 316 | R | 91.2 | Very high | 90.7 | Very high | 153 Ų | 153 | 88.8 Ų | 88.8 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.7 | -54.7 | 170.5 | 179.8 | 179.7 | -63.8 | -168.7 | -1.7 | 110.1 | R312 F313 Q314 W318 R319 E320 | R312-R316 WeakPolarHBondContact O-CB 3.03Å; R312-R316 PolarHBondContact O-N 3.05Å; R312-R316 VanDerWaalsContact O-N 3.15Å; F313-R316 WeakPolarHBondContact O-CB 3.49Å; F313-R316 PolarHBondContact O-N 2.89Å; F313-R316 VanDerWaalsContact O-N 3.13Å; Q314-R316 VanDerWaalsContact C-N 3.26Å; Q314-R316 PolarHBondContact O-N 3.29Å; R316-W318 VanDerWaalsContact C-N 3.32Å; R316-W318 PolarHBondContact O-N 3.39Å; R316-R319 WeakPolarHBondContact O-CB 3.48Å; R316-R319 PolarHBondContact O-N 2.86Å; R316-E320 WeakPolarHBondContact CD-OE1 3.3Å; R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.21Å; R316-E320 WeakPolarHBondContact O-CG 3.48Å; R316-E320 PolarHBondContact O-N 2.75Å |
| 317 | R | 86.1 | Confident | 90.3 | Very high | 35 Ų | 35 | 91.5 Ų | 91.5 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.1 | -40.4 | -179.4 | -175.7 | 167.5 | 167.1 | -107.7 | -4.3 | 112.8 | Q242 D246 F313 Q314 R319 E320 F321 | Q242-R317 PolarHBondContact O-NH2 3.26Å; D246-R317 VanDerWaalsContact CG-NH2 3.29Å; D246-R317 IonicContact OD1-CZ 3.37Å; D246-R317 VanDerWaalsContact OD1-CZ 3.25Å; D246-R317 IonicContact OD1-NH1 3.41Å; D246-R317 PolarHBondContact OD1-NH1 3.43Å; D246-R317 IonicContact OD1-NH2 3.22Å; D246-R317 PolarHBondContact OD1-NH2 3.42Å; D246-R317 IonicContact OD2-NH2 3.71Å; D246-R317 PolarHBondContact OD2-NH2 2.8Å; F313-R317 PolarHBondContact O-N 3.37Å; Q314-R317 PolarHBondContact O-N 3.22Å; R317-R319 PolarHBondContact O-N 2.97Å; R317-E320 PolarHBondContact O-N 3.33Å; R317-F321 WeakPolarHBondContact O-CB 3.3Å; R317-F321 PolarHBondContact O-N 3.25Å |
| 318 | W | 86.4 | Confident | 90 | Very high | 145 Ų | 145 | 97 Ų | 97 | 55% | 0.549 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.5 | -30 | 176 | -174 | 26.5 | 0 | 0 | 0 | 113.4 | Q314 L315 R316 R322 | Q314-W318 WeakPolarHBondContact O-CB 3.22Å; Q314-W318 PolarHBondContact O-N 2.8Å; L315-W318 HydrophobicContact CD2-CE3 4.39Å; R316-W318 VanDerWaalsContact C-N 3.32Å; R316-W318 PolarHBondContact O-N 3.39Å; W318-R322 WeakPolarHBondContact O-CB 3.29Å; W318-R322 WeakPolarHBondContact O-CG 3.34Å; W318-R322 PolarHBondContact O-N 3.08Å; W318-R322 VanDerWaalsContact O-N 3.12Å; W318-R322 PolarHBondContact O-NE 3.15Å |
| 319 | R | 90.3 | Very high | 89.7 | Confident | 133 Ų | 133 | 97.3 Ų | 97.3 | 50% | 0.502 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.9 | -48.1 | 170.4 | -78.1 | -179 | -68 | 167.7 | -0.7 | 110.9 | L315 R316 R317 F321 R322 H323 | L315-R319 WeakPolarHBondContact O-CG 3.14Å; L315-R319 PolarHBondContact O-N 3.34Å; L315-R319 PolarHBondContact O-NE 3.29Å; R316-R319 WeakPolarHBondContact O-CB 3.48Å; R316-R319 PolarHBondContact O-N 2.86Å; R317-R319 PolarHBondContact O-N 2.97Å; R319-F321 PolarHBondContact O-N 3.26Å; R319-R322 PolarHBondContact O-N 3.42Å; R319-H323 PolarHBondContact O-CD2 3.34Å; R319-H323 PolarHBondContact O-N 3.4Å |
| 320 | E | 88.3 | Confident | 89.4 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.3 | -50.2 | 177.1 | -70.8 | 162.3 | 176.9 | 0 | 0 | 110.8 | R316 R317 R322 H323 E324 | R316-E320 WeakPolarHBondContact CD-OE1 3.3Å; R316-E320 HydrophobicContact CG-CG 4.48Å; R316-E320 WeakPolarHBondContact CG-OE1 3.21Å; R316-E320 WeakPolarHBondContact O-CG 3.48Å; R316-E320 PolarHBondContact O-N 2.75Å; R317-E320 PolarHBondContact O-N 3.33Å; E320-R322 PolarHBondContact O-N 3.39Å; E320-H323 PolarHBondContact O-N 3.14Å; E320-H323 VanDerWaalsContact O-N 3.13Å; E320-E324 PolarHBondContact O-N 3.26Å |
| 321 | F | 85.5 | Confident | 89.1 | Confident | 112 Ų | 112 | 103.9 Ų | 103.9 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 175.5 | -176.2 | -106.4 | 0 | 0 | 0 | 113.6 | R317 R319 E324 Q325 | R317-F321 WeakPolarHBondContact O-CB 3.3Å; R317-F321 PolarHBondContact O-N 3.25Å; R319-F321 PolarHBondContact O-N 3.26Å; F321-E324 PolarHBondContact O-N 2.9Å; F321-Q325 HydrophobicContact CE1-CG 4.23Å; F321-Q325 HydrophobicContact CZ-CG 4.3Å; F321-Q325 WeakPolarHBondContact O-CG 3.41Å; F321-Q325 PolarHBondContact O-N 2.85Å |
| 322 | R | 87.3 | Confident | 88.8 | Confident | 122 Ų | 122 | 103.2 Ų | 103.2 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 174.9 | -78.8 | -171.6 | -70.5 | 174.9 | -3.5 | 112.4 | W318 R319 E320 Q325 A326 | W318-R322 WeakPolarHBondContact O-CB 3.29Å; W318-R322 WeakPolarHBondContact O-CG 3.34Å; W318-R322 PolarHBondContact O-N 3.08Å; W318-R322 VanDerWaalsContact O-N 3.12Å; W318-R322 PolarHBondContact O-NE 3.15Å; R319-R322 PolarHBondContact O-N 3.42Å; E320-R322 PolarHBondContact O-N 3.39Å; R322-Q325 PolarHBondContact O-N 3.3Å; R322-A326 VanDerWaalsContact O-CB 3.31Å; R322-A326 WeakPolarHBondContact O-CB 3.08Å; R322-A326 PolarHBondContact O-N 2.97Å |
| 323 | H | 88.3 | Confident | 88.2 | Confident | 138 Ų | 138 | 101 Ų | 101 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 174.3 | -75.7 | -64.6 | 0 | 0 | 0 | 111.9 | R319 E320 A326 S327 | R319-H323 PolarHBondContact O-CD2 3.34Å; R319-H323 PolarHBondContact O-N 3.4Å; E320-H323 PolarHBondContact O-N 3.14Å; E320-H323 VanDerWaalsContact O-N 3.13Å; H323-A326 PolarHBondContact O-N 3.42Å; H323-S327 WeakPolarHBondContact O-CB 3.43Å; H323-S327 PolarHBondContact O-N 3.16Å; H323-S327 PolarHBondContact O-OG 3.39Å |
| 324 | E | 86.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173.1 | -76.9 | -173.5 | -142.8 | 0 | 0 | 113 | E320 F321 A326 S327 R328 | E320-E324 PolarHBondContact O-N 3.26Å; F321-E324 PolarHBondContact O-N 2.9Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.01Å; E324-S327 PolarHBondContact O-N 2.91Å; E324-S327 PolarHBondContact O-OG 3.09Å; E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE2-CZ 3.98Å; E324-R328 IonicContact OE2-NH2 3.53Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å |
| 325 | Q | 86.8 | Confident | 86.7 | Confident | 86 Ų | 86 | 112 Ų | 112 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.1 | -74.9 | -165.8 | -14.2 | 0 | 0 | 111.7 | F321 R322 K329 | F321-Q325 HydrophobicContact CE1-CG 4.23Å; F321-Q325 HydrophobicContact CZ-CG 4.3Å; F321-Q325 WeakPolarHBondContact O-CG 3.41Å; F321-Q325 PolarHBondContact O-N 2.85Å; R322-Q325 PolarHBondContact O-N 3.3Å; Q325-K329 WeakPolarHBondContact O-CB 3.4Å; Q325-K329 WeakPolarHBondContact O-CG 3.25Å; Q325-K329 PolarHBondContact O-N 3.4Å |
| 326 | A | 89.6 | Confident | 85.5 | Confident | 43 Ų | 43 | 114.2 Ų | 114.2 | 36% | 0.355 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R322 H323 E324 R330 | R322-A326 VanDerWaalsContact O-CB 3.31Å; R322-A326 WeakPolarHBondContact O-CB 3.08Å; R322-A326 PolarHBondContact O-N 2.97Å; H323-A326 PolarHBondContact O-N 3.42Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.01Å; A326-R330 WeakPolarHBondContact O-CB 3.43Å; A326-R330 VanDerWaalsContact O-CG 3.26Å; A326-R330 WeakPolarHBondContact O-CG 3.23Å; A326-R330 PolarHBondContact O-N 2.81Å |
| 327 | S | 88.6 | Confident | 83.9 | Confident | 66 Ų | 66 | 112.4 Ų | 112.4 | 46% | 0.462 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -42.8 | 176.6 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | H323 E324 R330 A331 | H323-S327 WeakPolarHBondContact O-CB 3.43Å; H323-S327 PolarHBondContact O-N 3.16Å; H323-S327 PolarHBondContact O-OG 3.39Å; E324-S327 PolarHBondContact O-N 2.91Å; E324-S327 PolarHBondContact O-OG 3.09Å; S327-R330 PolarHBondContact O-N 3.49Å; S327-A331 WeakPolarHBondContact O-CB 3.32Å; S327-A331 PolarHBondContact O-N 2.86Å |
| 328 | R | 88.1 | Confident | 82.4 | Confident | 167 Ų | 167 | 122 Ų | 122 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.5 | -45.2 | 174.1 | -69.1 | 175.8 | -160.4 | -155.8 | 9.3 | 111.9 | E324 R330 A331 A332 | E324-R328 WeakPolarHBondContact O-CB 3.21Å; E324-R328 VanDerWaalsContact O-CG 3.23Å; E324-R328 WeakPolarHBondContact O-CG 3.33Å; E324-R328 PolarHBondContact O-N 2.92Å; E324-R328 IonicContact OE2-CZ 3.98Å; E324-R328 IonicContact OE2-NH2 3.53Å; E324-R328 PolarHBondContact OE2-NH2 3.34Å; R328-R330 PolarHBondContact O-N 3.11Å; R328-A331 PolarHBondContact O-N 3.3Å; R328-A332 PolarHBondContact O-N 2.89Å |
| 329 | K | 89.1 | Confident | 80.5 | Confident | 152 Ų | 152 | 121.2 Ų | 121.2 | 66% | 0.661 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.5 | -42.8 | 174.7 | -75.6 | -179.1 | 179 | -173.9 | 0 | 112.2 | Q325 A331 A332 A333 | Q325-K329 WeakPolarHBondContact O-CB 3.4Å; Q325-K329 WeakPolarHBondContact O-CG 3.25Å; Q325-K329 PolarHBondContact O-N 3.4Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.43Å; K329-A332 PolarHBondContact O-N 3.09Å; K329-A333 WeakPolarHBondContact O-CB 3.24Å; K329-A333 PolarHBondContact O-N 3.46Å |
| 330 | R | 89.1 | Confident | 78.6 | Confident | 190 Ų | 190 | 123 Ų | 123 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.2 | -34 | 175.1 | -75.2 | 172.8 | 176.7 | -172.1 | -1.2 | 113 | A326 S327 R328 K334 | A326-R330 WeakPolarHBondContact O-CB 3.43Å; A326-R330 VanDerWaalsContact O-CG 3.26Å; A326-R330 WeakPolarHBondContact O-CG 3.23Å; A326-R330 PolarHBondContact O-N 2.81Å; S327-R330 PolarHBondContact O-N 3.49Å; R328-R330 PolarHBondContact O-N 3.11Å; R330-K334 WeakPolarHBondContact O-CG 3.01Å; R330-K334 PolarHBondContact O-N 3.45Å |
| 331 | A | 87.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 126.8 Ų | 126.8 | 46% | 0.463 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.9 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S327 R328 K329 A333 K334 Q335 | S327-A331 WeakPolarHBondContact O-CB 3.32Å; S327-A331 PolarHBondContact O-N 2.86Å; R328-A331 PolarHBondContact O-N 3.3Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 3.43Å; A331-A333 PolarHBondContact O-N 2.89Å; A331-K334 PolarHBondContact O-N 2.88Å; A331-K334 VanDerWaalsContact O-N 3.15Å; A331-Q335 PolarHBondContact O-N 3.41Å |
| 332 | A | 86.2 | Confident | 74.5 | Confident | 63 Ų | 63 | 132.7 Ų | 132.7 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -61.3 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R328 K329 K334 Q335 | R328-A332 PolarHBondContact O-N 2.89Å; K329-A332 PolarHBondContact O-N 3.09Å; A332-K334 PolarHBondContact O-N 3.03Å; A332-Q335 PolarHBondContact O-N 3.24Å |
| 333 | A | 83.7 | Confident | 72.3 | Confident | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -17.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K329 A331 | K329-A333 WeakPolarHBondContact O-CB 3.24Å; K329-A333 PolarHBondContact O-N 3.46Å; A331-A333 PolarHBondContact O-N 2.89Å |
| 334 | K | 80.5 | Confident | 69.9 | Low | 179 Ų | 179 | 132.1 Ų | 132.1 | 78% | 0.778 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -9 | 173.3 | -75 | -177.1 | 176.7 | -167 | 0 | 113.6 | R330 A331 A332 T336 | R330-K334 WeakPolarHBondContact O-CG 3.01Å; R330-K334 PolarHBondContact O-N 3.45Å; A331-K334 PolarHBondContact O-N 2.88Å; A331-K334 VanDerWaalsContact O-N 3.15Å; A332-K334 PolarHBondContact O-N 3.03Å; K334-T336 PolarHBondContact O-N 2.63Å |
| 335 | Q | 70.4 | Confident | 67.6 | Low | 157 Ų | 157 | 136.7 Ų | 136.7 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -88.2 | 93.8 | 171.1 | -67.5 | -176.4 | -5.4 | 0 | 0 | 108.6 | A331 A332 | A331-Q335 PolarHBondContact O-N 3.41Å; A332-Q335 PolarHBondContact O-N 3.24Å |
| 336 | T | 64.9 | Low | 65 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 133.4 | 171.1 | 0.7 | 0 | 0 | 0 | 0 | 109.7 | K334 R338 | K334-T336 PolarHBondContact O-N 2.63Å; T336-R338 PolarHBondContact O-N 2.99Å |
| 337 | P | 58.2 | Low | 62.2 | Low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 127.9 | 173.6 | 25.6 | -32.9 | 0 | 0 | 0 | 108.9 | ||
| 338 | R | 54.2 | Low | 59.5 | Low | 237 Ų | 237 | 145.7 Ų | 145.7 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.5 | 171 | -76.3 | -178.9 | 172.9 | 177.9 | -2.9 | 107.8 | T336 L340 | T336-R338 PolarHBondContact O-N 2.99Å; R338-L340 PolarHBondContact O-N 3.09Å |
| 339 | P | 47.8 | Very low | 56.8 | Low | 128 Ų | 128 | 144.3 Ų | 144.3 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123 | 176.1 | 25.4 | -32.4 | 0 | 0 | 0 | 108.9 | K341 | P339-K341 PolarHBondContact O-N 2.94Å; P339-K341 VanDerWaalsContact O-N 3.15Å |
| 340 | L | 48.7 | Very low | 54.2 | Low | 171 Ų | 171 | 144 Ų | 144 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 115.5 | 168.8 | -89.5 | 149.9 | 0 | 0 | 0 | 107.9 | R338 R342 | R338-L340 PolarHBondContact O-N 3.09Å; L340-R342 PolarHBondContact O-N 2.7Å | ||
| 341 | K | 42.5 | Very low | 51.4 | Low | 179 Ų | 179 | 138.3 Ų | 138.3 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -62.2 | 111.5 | 170.9 | -127.2 | -169.6 | 177.3 | -161.2 | 0 | 107.4 | P339 D343 | P339-K341 PolarHBondContact O-N 2.94Å; P339-K341 VanDerWaalsContact O-N 3.15Å; K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.06Å; K341-D343 VanDerWaalsContact O-N 3.15Å | ||
| 342 | R | 46.9 | Very low | 48.7 | Very low | 235 Ų | 235 | 142.8 Ų | 142.8 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -82.8 | 83.7 | 175.9 | -174.8 | 179.8 | -173.9 | 168.4 | 1.3 | 107.5 | L340 | L340-R342 PolarHBondContact O-N 2.7Š| ||
| 343 | D | 40.6 | Very low | 46.4 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135.9 | 174 | -70.5 | -24.1 | 0 | 0 | 0 | 109.6 | K341 | K341-D343 VanDerWaalsContact C-N 3.34Å; K341-D343 PolarHBondContact O-N 3.06Å; K341-D343 VanDerWaalsContact O-N 3.15Å |
| 344 | S | 37.2 | Very low | 44 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 162.2 | -165.2 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 345 | L | 39 | Very low | 41.7 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60 | 150 | -179.6 | -95.5 | 71 | 0 | 0 | 0 | 115.5 | ||
| 346 | G | 32 | Very low | 39.8 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 120.4 | 148.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 347 | H | 30.2 | Very low | 38.4 | Very low | 160 Ų | 160 | 152 Ų | 152 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | cis | -165.4 | 171.4 | -22.1 | -166.2 | 54.1 | 0 | 0 | 0 | 107.2 | ||||
| 348 | H | 32.4 | Very low | 37.3 | Very low | 149 Ų | 149 | 150.2 Ų | 150.2 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | trans | 68.2 | 155.1 | 177.7 | -57.1 | -73.1 | 0 | 0 | 0 | 118.6 | ||||
| 349 | E | 31.6 | Very low | 36.2 | Very low | 139 Ų | 139 | 144 Ų | 144 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | cis | -165.6 | 146 | -48 | -121.8 | -177.2 | 121.9 | 0 | 0 | 110.3 | ||||
| 350 | N | 33.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | 23.6 | 130.3 | 150.9 | -59.8 | -34 | 0 | 0 | 0 | 122 | ||||
| 351 | G | 31.8 | Very low | 35.7 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | 155.8 | 109 | 136.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 352 | V | 31.2 | Very low | 35.6 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 92% | 0.915 | 81% | 0.805 | S | S | * | * | trans | 78.5 | 141.8 | 141.5 | -171.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 353 | I | 36.6 | Very low | 36 | Very low | 157 Ų | 157 | 137.3 Ų | 137.3 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -113.9 | 141.1 | -175.6 | -61.6 | 160.2 | 0 | 0 | 0 | 108.4 | ||||
| 354 | K | 33.2 | Very low | 35.7 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | 155.4 | 134.4 | 117.1 | -150.3 | 168.9 | -172.3 | -177.4 | 0 | 114.6 | |||||
| 355 | A | 33 | Very low | 36 | Very low | 91 Ų | 91 | 144.7 Ų | 144.7 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | 6.5 | 141 | 158.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 356 | E | 31.1 | Very low | 36.1 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | -155.8 | 160.1 | 100.5 | -127.7 | 179.4 | 174 | 0 | 0 | 113.8 | |||||
| 357 | N | 34.4 | Very low | 36.2 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -93.2 | 136.2 | -179.4 | -77 | -47.5 | 0 | 0 | 0 | 111.4 | ||||
| 358 | G | 34.1 | Very low | 36.3 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -140.3 | 131.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | A | 33.1 | Very low | 37.5 | Very low | 106 Ų | 106 | 147.1 Ų | 147.1 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -59.9 | 158 | -163.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 360 | S | 36.4 | Very low | 37.8 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | trans | -65.4 | 177 | 160.3 | -140.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 361 | P | 49.5 | Very low | 38 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | cis | -150.2 | 159.7 | 11.6 | 44.6 | -23.6 | 0 | 0 | 0 | 120.5 | ||||
| 362 | R | 38.5 | Very low | 38.3 | Very low | 240 Ų | 240 | 152 Ų | 152 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | 72.9 | 171.4 | 139.6 | -102.7 | -171.7 | -178 | -179.9 | 3.1 | 121.4 | ||||
| 363 | P | 55.3 | Low | 38.8 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | -127.3 | 173.1 | -120.1 | 44.6 | -29.2 | 0 | 0 | 0 | 116.1 | |||||
| 364 | K | 36.1 | Very low | 38.9 | Very low | 213 Ų | 213 | 151.8 Ų | 151.8 | 93% | 0.926 | 84% | 0.844 | S | S | * | * | trans | -140.6 | 137.1 | 161.2 | -94.3 | -178.5 | -175.4 | 171.1 | 0 | 116.3 | ||||
| 365 | K | 41.9 | Very low | 39.3 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 84% | 0.844 | S | S | * | * | trans | -80.3 | 169 | 165.2 | -136.3 | 177.7 | -173.9 | 177.2 | 0 | 108 | ||||
| 366 | I | 40.9 | Very low | 39.7 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 71% | 0.708 | 85% | 0.85 | S | S | * | * | cis | -152.3 | 169.3 | 18.8 | -26.3 | 155.5 | 0 | 0 | 0 | 106.3 | ||||
| 367 | K | 34.8 | Very low | 40.4 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | 177.5 | 152.1 | 92.6 | -94.9 | -171.1 | 177.1 | 178.4 | 0 | 113.6 | |||||
| 368 | A | 31.7 | Very low | 40.9 | Very low | 79 Ų | 79 | 148 Ų | 148 | 65% | 0.653 | 84% | 0.84 | S | S | * | * | trans | -87.5 | -176.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 369 | P | 58.1 | Low | 41.5 | Very low | 203 Ų | 203 | 154.4 Ų | 154.4 | 100% | 1.318 | 84% | 0.844 | S | S | * | * | -104.4 | 0 | 61.2 | -9.4 | 29.3 | 0 | 0 | 0 | 115.5 |
Retrieved 369 of 369 residues in 105.6 ms
(Link to these results)