| 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 | 32.6 | Very low | 51.2 | Low | 241 Ų | 241 | 165.3 Ų | 165.3 | 100% | 1.187 | 79% | 0.79 | S | S | * | * | 0 | 107.8 | 0 | -76.1 | 174.2 | -178.2 | 0 | 0 | 108.5 | F3 | M1-F3 PolarHBondContact O-N 2.91Š| |||
| 2 | A | 35.6 | Very low | 52.8 | Low | 101 Ų | 101 | 165.2 Ų | 165.2 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -65.4 | 121.3 | 180 | 0 | 0 | 0 | 0 | 0 | 109.7 | R4 | A2-R4 PolarHBondContact O-N 3.47Š| ||
| 3 | F | 36 | Very low | 54.7 | Low | 209 Ų | 209 | 168.1 Ų | 168.1 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -66.5 | 87.5 | 167.4 | -114.2 | -90.6 | 0 | 0 | 0 | 107.7 | M1 R5 | M1-F3 PolarHBondContact O-N 2.91Å; F3-R5 VanDerWaalsContact C-N 3.35Å; F3-R5 PolarHBondContact O-N 3.02Å | ||
| 4 | R | 39.7 | Very low | 57 | Low | 235 Ų | 235 | 158.2 Ų | 158.2 | 89% | 0.887 | 75% | 0.751 | S | S | * | * | trans | -62.1 | 100.1 | 167.3 | -158.7 | 177.4 | -171.3 | -178.6 | 3 | 105.5 | A2 R6 | A2-R4 PolarHBondContact O-N 3.47Å; R4-R6 VanDerWaalsContact C-N 3.34Å; R4-R6 PolarHBondContact O-N 2.93Å | ||
| 5 | R | 43.8 | Very low | 59 | Low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -54.7 | 104.6 | 167.4 | -90.1 | -177.5 | 174.8 | 178.4 | -2.5 | 105.8 | F3 N7 | F3-R5 VanDerWaalsContact C-N 3.35Å; F3-R5 PolarHBondContact O-N 3.02Å; R5-N7 PolarHBondContact O-N 3.16Å | ||
| 6 | R | 43.1 | Very low | 60.8 | Low | 228 Ų | 228 | 149.2 Ų | 149.2 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -61 | 111.2 | 171 | -172.6 | 175.4 | 170.8 | 179.9 | -2.7 | 105.4 | R4 K8 | R4-R6 VanDerWaalsContact C-N 3.34Å; R4-R6 PolarHBondContact O-N 2.93Å; R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.38Å | ||
| 7 | N | 49 | Very low | 62.5 | Low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 68% | 0.678 | S | S | * | * | trans | -57.3 | 99.4 | 171.8 | -80.7 | -4.3 | 0 | 0 | 0 | 106.7 | R5 S9 | R5-N7 PolarHBondContact O-N 3.16Å; N7-S9 PolarHBondContact O-N 3.27Å; N7-S9 VanDerWaalsContact O-N 3.12Å | ||
| 8 | K | 56.9 | Low | 63.9 | Low | 151 Ų | 151 | 139.7 Ų | 139.7 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | trans | -68.1 | 108.3 | 168.8 | -80 | -176 | 174.8 | -176.1 | 0 | 105.2 | R6 Y10 | R6-K8 VanDerWaalsContact C-N 3.3Å; R6-K8 PolarHBondContact O-N 3.38Å; K8-Y10 HydrophobicContact CB-CD2 4.42Å; K8-Y10 HydrophobicContact CB-CE1 4.46Å; K8-Y10 HydrophobicContact CB-CE2 3.72Å; K8-Y10 WeakPolarHBondContact O-CD2 3.49Å; K8-Y10 VanDerWaalsContact O-CE2 3.29Å; K8-Y10 WeakPolarHBondContact O-CE2 3.36Å; K8-Y10 PolarHBondContact O-N 3.47Å; K8-Y10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | S | 67.8 | Low | 65.2 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 63% | 0.632 | S | S | * | * | trans | -70.1 | 106.3 | 169 | 57.5 | 0 | 0 | 0 | 0 | 107.3 | N7 | N7-S9 PolarHBondContact O-N 3.27Å; N7-S9 VanDerWaalsContact O-N 3.12Å | ||
| 10 | Y | 76.4 | Confident | 66.3 | Low | 66 Ų | 66 | 131.4 Ų | 131.4 | 26% | 0.259 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -78.8 | 141.9 | 172.3 | -64.4 | -82.7 | 0 | 0 | 0 | 108.8 | K8 F12 E16 Q20 | K8-Y10 HydrophobicContact CB-CD2 4.42Å; K8-Y10 HydrophobicContact CB-CE1 4.46Å; K8-Y10 HydrophobicContact CB-CE2 3.72Å; K8-Y10 WeakPolarHBondContact O-CD2 3.49Å; K8-Y10 VanDerWaalsContact O-CE2 3.29Å; K8-Y10 WeakPolarHBondContact O-CE2 3.36Å; K8-Y10 PolarHBondContact O-N 3.47Å; K8-Y10 VanDerWaalsContact O-N 3.15Å; Y10-F12 PolarHBondContact O-N 3.17Å; Y10-E16 HydrophobicContact CD1-CB 3.29Å; Y10-E16 HydrophobicContact CD1-CG 3.99Å; Y10-E16 HydrophobicContact CD2-CB 4.47Å; Y10-E16 HydrophobicContact CE1-CB 3.53Å; Y10-E16 HydrophobicContact CE1-CG 3.87Å; Y10-E16 HydrophobicContact CG-CB 3.8Å; Y10-Q20 PolarHBondContact OH-NE2 3.49Å |
| 11 | P | 82.1 | Confident | 67.5 | Low | 95 Ų | 95 | 127.4 Ų | 127.4 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 138.8 | 173.4 | -23.9 | 33 | 0 | 0 | 0 | 110.8 | F13 S14 F17 | P11-F13 PolarHBondContact O-N 3.06Å; P11-S14 VanDerWaalsContact O-CB 3.32Å; P11-S14 WeakPolarHBondContact O-CB 3.34Å; P11-S14 PolarHBondContact O-N 3.41Å; P11-S14 PolarHBondContact O-OG 3.34Å; P11-F17 WeakPolarHBondContact O-CB 3.36Å |
| 12 | F | 70.4 | Confident | 70.4 | Confident | 164 Ų | 164 | 117.3 Ų | 117.3 | 72% | 0.719 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 132.5 | 171.1 | -68 | -76.2 | 0 | 0 | 0 | 108.7 | Y10 S14 F17 | Y10-F12 PolarHBondContact O-N 3.17Å; F12-S14 VanDerWaalsContact C-N 3.34Å; F12-S14 PolarHBondContact O-N 3.35Å; F12-F17 HydrophobicContact CD1-CD2 4.47Å; F12-F17 HydrophobicContact CD1-CE1 4.31Å; F12-F17 AromaticContact CD1-CE2 3.8Å; F12-F17 HydrophobicContact CD1-CE2 3.8Å; F12-F17 AromaticContact CD1-CZ 3.72Å; F12-F17 HydrophobicContact CD1-CZ 3.72Å; F12-F17 AromaticContact CE1-CE2 3.9Å; F12-F17 HydrophobicContact CE1-CE2 3.9Å; F12-F17 AromaticContact CE1-CZ 3.96Å; F12-F17 HydrophobicContact CE1-CZ 3.96Å |
| 13 | F | 77.6 | Confident | 73.1 | Confident | 203 Ų | 203 | 113.4 Ų | 113.4 | 89% | 0.89 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 4.2 | -173 | -47.9 | -70.4 | 0 | 0 | 0 | 117.9 | P11 | P11-F13 PolarHBondContact O-N 3.06Š|
| 14 | S | 86.8 | Confident | 75.8 | Confident | 30 Ų | 30 | 108.1 Ų | 108.1 | 21% | 0.21 | 51% | 0.505 | C | S | . | . | trans | -67.1 | 151.6 | 167.4 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | P11 F12 E16 F17 L18 | P11-S14 VanDerWaalsContact O-CB 3.32Å; P11-S14 WeakPolarHBondContact O-CB 3.34Å; P11-S14 PolarHBondContact O-N 3.41Å; P11-S14 PolarHBondContact O-OG 3.34Å; F12-S14 VanDerWaalsContact C-N 3.34Å; F12-S14 PolarHBondContact O-N 3.35Å; S14-E16 PolarHBondContact O-N 3.33Å; S14-F17 WeakPolarHBondContact O-CB 3.37Å; S14-F17 PolarHBondContact O-N 3.07Å; S14-F17 WeakPolarHBondContact OG-CB 3.48Å; S14-F17 PolarHBondContact OG-N 3.03Å; S14-L18 PolarHBondContact O-N 2.95Å; S14-L18 VanDerWaalsContact O-N 3.08Å | ||
| 15 | Q | 87.9 | Confident | 78.4 | Confident | 110 Ų | 110 | 100.3 Ų | 100.3 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53 | -39.8 | 174.4 | 167.1 | 166.9 | 9.2 | 0 | 0 | 112.1 | L18 I19 Y179 | Q15-L18 PolarHBondContact O-N 3.46Å; Q15-I19 HydrophobicContact CG-CD1 3.79Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.43Å; Q15-I19 PolarHBondContact O-N 2.92Å; Q15-Y179 WeakPolarHBondContact CG-OH 3.29Å; Q15-Y179 PolarHBondContact NE2-OH 3.01Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.09Å |
| 16 | E | 87.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 90.4 Ų | 90.4 | 29% | 0.29 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.1 | -36.1 | 178.7 | -65.5 | -64.5 | 158.9 | 0 | 0 | 112.6 | Y10 S14 Q20 K182 | Y10-E16 HydrophobicContact CD1-CB 3.29Å; Y10-E16 HydrophobicContact CD1-CG 3.99Å; Y10-E16 HydrophobicContact CD2-CB 4.47Å; Y10-E16 HydrophobicContact CE1-CB 3.53Å; Y10-E16 HydrophobicContact CE1-CG 3.87Å; Y10-E16 HydrophobicContact CG-CB 3.8Å; S14-E16 PolarHBondContact O-N 3.33Å; E16-Q20 WeakPolarHBondContact O-CB 3.49Å; E16-Q20 VanDerWaalsContact O-CG 3.31Å; E16-Q20 WeakPolarHBondContact O-CG 3.49Å; E16-Q20 PolarHBondContact O-N 3.44Å; E16-K182 IonicContact OE1-NZ 3.22Å; E16-K182 PolarHBondContact OE1-NZ 3.1Å; E16-K182 IonicContact OE2-NZ 3.61Å; E16-K182 PolarHBondContact OE2-NZ 3.07Å |
| 17 | F | 88.5 | Confident | 83.4 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 21% | 0.211 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.2 | 178.6 | -90.6 | 0 | 0 | 0 | 111.2 | P11 F12 S14 Q20 N21 I25 | P11-F17 WeakPolarHBondContact O-CB 3.36Å; F12-F17 HydrophobicContact CD1-CD2 4.47Å; F12-F17 HydrophobicContact CD1-CE1 4.31Å; F12-F17 AromaticContact CD1-CE2 3.8Å; F12-F17 HydrophobicContact CD1-CE2 3.8Å; F12-F17 AromaticContact CD1-CZ 3.72Å; F12-F17 HydrophobicContact CD1-CZ 3.72Å; F12-F17 AromaticContact CE1-CE2 3.9Å; F12-F17 HydrophobicContact CE1-CE2 3.9Å; F12-F17 AromaticContact CE1-CZ 3.96Å; F12-F17 HydrophobicContact CE1-CZ 3.96Å; S14-F17 WeakPolarHBondContact O-CB 3.37Å; S14-F17 PolarHBondContact O-N 3.07Å; S14-F17 WeakPolarHBondContact OG-CB 3.48Å; S14-F17 PolarHBondContact OG-N 3.03Å; F17-Q20 PolarHBondContact O-N 3.48Å; F17-N21 WeakPolarHBondContact CD2-ND2 3.27Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.44Å; F17-N21 PolarHBondContact O-N 3.25Å; F17-N21 PolarHBondContact O-ND2 3.3Å; F17-I25 HydrophobicContact CE1-CD1 4.43Å |
| 18 | L | 88.1 | Confident | 85.6 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 41% | 0.414 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 179.2 | -171.6 | 151.7 | 0 | 0 | 0 | 111.1 | S14 Q15 Q20 N21 H22 F180 | S14-L18 PolarHBondContact O-N 2.95Å; S14-L18 VanDerWaalsContact O-N 3.08Å; Q15-L18 PolarHBondContact O-N 3.46Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.96Å; L18-N21 PolarHBondContact O-N 3.13Å; L18-H22 WeakPolarHBondContact O-CA 3.37Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.38Å; L18-F180 HydrophobicContact CD2-CD1 4.34Å; L18-F180 HydrophobicContact CD2-CE1 3.59Å; L18-F180 HydrophobicContact CD2-CZ 4.43Å |
| 19 | I | 88.8 | Confident | 87.5 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 178.8 | -69.6 | 169.7 | 0 | 0 | 0 | 111.4 | Q15 H22 Y179 F180 K182 | Q15-I19 HydrophobicContact CG-CD1 3.79Å; Q15-I19 VanDerWaalsContact O-CG1 3.28Å; Q15-I19 WeakPolarHBondContact O-CG1 3.43Å; Q15-I19 PolarHBondContact O-N 2.92Å; I19-H22 PolarHBondContact O-ND1 3.38Å; I19-Y179 HydrophobicContact CD1-CE1 4.05Å; I19-Y179 HydrophobicContact CG1-CD1 4.4Å; I19-Y179 HydrophobicContact CG1-CE1 3.89Å; I19-F180 HydrophobicContact CG1-CD1 4.39Å; I19-F180 VanDerWaalsContact CG2-O 3.26Å; I19-F180 WeakPolarHBondContact CG2-O 3.5Å; I19-K182 HydrophobicContact CD1-CG 4.43Å |
| 20 | Q | 87.4 | Confident | 88.9 | Confident | 100 Ų | 100 | 72.1 Ų | 72.1 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -77.2 | -33.7 | -178.7 | -74.1 | -178.8 | 9.1 | 0 | 0 | 113.8 | Y10 E16 F17 L18 | Y10-Q20 PolarHBondContact OH-NE2 3.49Å; E16-Q20 WeakPolarHBondContact O-CB 3.49Å; E16-Q20 VanDerWaalsContact O-CG 3.31Å; E16-Q20 WeakPolarHBondContact O-CG 3.49Å; E16-Q20 PolarHBondContact O-N 3.44Å; F17-Q20 PolarHBondContact O-N 3.48Å; L18-Q20 VanDerWaalsContact C-N 3.29Å; L18-Q20 PolarHBondContact O-N 2.96Å |
| 21 | N | 91 | Very high | 89.9 | Confident | 48 Ų | 48 | 72 Ų | 72 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -107.7 | 12.7 | -174.3 | -56.6 | -87.7 | 0 | 0 | 0 | 112.4 | F17 L18 A23 D24 I25 | F17-N21 WeakPolarHBondContact CD2-ND2 3.27Å; F17-N21 WeakPolarHBondContact CE2-ND2 3.44Å; F17-N21 PolarHBondContact O-N 3.25Å; F17-N21 PolarHBondContact O-ND2 3.3Å; L18-N21 PolarHBondContact O-N 3.13Å; N21-A23 VanDerWaalsContact C-N 3.26Å; N21-A23 PolarHBondContact O-N 3.38Å; N21-D24 PolarHBondContact O-N 2.89Å; N21-D24 VanDerWaalsContact O-N 3.1Å; N21-I25 HydrophobicContact CB-CD1 4.21Å; N21-I25 HydrophobicContact CB-CG1 4.41Å; N21-I25 VanDerWaalsContact O-CG1 3.3Å; N21-I25 WeakPolarHBondContact O-CG1 3.37Å; N21-I25 PolarHBondContact O-N 3.21Å |
| 22 | H | 93.3 | Very high | 90.5 | Very high | 28 Ų | 28 | 74.9 Ų | 74.9 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55 | -41.7 | -174.7 | 66.7 | -79 | 0 | 0 | 0 | 112.2 | L18 I19 I25 V26 F180 | L18-H22 WeakPolarHBondContact O-CA 3.37Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.38Å; I19-H22 PolarHBondContact O-ND1 3.38Å; H22-I25 PolarHBondContact O-N 2.94Å; H22-V26 WeakPolarHBondContact O-CB 3.35Å; H22-V26 WeakPolarHBondContact O-CG2 3.39Å; H22-V26 PolarHBondContact O-N 3.36Å; H22-F180 HydrophobicContact CB-CD1 4.3Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.12Å; H22-F180 HydrophobicContact CB-CE2 4.12Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 4.03Å; H22-F180 AromaticContact CD2-CD2 3.68Å; H22-F180 AromaticContact CD2-CE2 3.96Å; H22-F180 AromaticContact CG-CD2 3.97Å |
| 23 | A | 92.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N21 V26 F27 A90 | N21-A23 VanDerWaalsContact C-N 3.26Å; N21-A23 PolarHBondContact O-N 3.38Å; A23-V26 PolarHBondContact O-N 3.01Å; A23-F27 WeakPolarHBondContact O-CB 3.44Å; A23-F27 PolarHBondContact O-N 3.01Å; A23-A90 HydrophobicContact CB-CB 3.48Å; A23-A90 VanDerWaalsContact CB-CB 3.48Å |
| 24 | D | 93.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 61.9 Ų | 61.9 | 53% | 0.529 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 179.9 | -62.6 | -37.7 | 0 | 0 | 0 | 112.5 | N21 F27 S28 | N21-D24 PolarHBondContact O-N 2.89Å; N21-D24 VanDerWaalsContact O-N 3.1Å; D24-F27 PolarHBondContact O-N 3.1Å; D24-S28 WeakPolarHBondContact O-CB 3.48Å; D24-S28 PolarHBondContact O-N 2.91Å; D24-S28 PolarHBondContact O-OG 3.11Å |
| 25 | I | 93.8 | Very high | 93 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 175 | -66.3 | 165.2 | 0 | 0 | 0 | 109.8 | F17 N21 H22 S28 L29 | F17-I25 HydrophobicContact CE1-CD1 4.43Å; N21-I25 HydrophobicContact CB-CD1 4.21Å; N21-I25 HydrophobicContact CB-CG1 4.41Å; N21-I25 VanDerWaalsContact O-CG1 3.3Å; N21-I25 WeakPolarHBondContact O-CG1 3.37Å; N21-I25 PolarHBondContact O-N 3.21Å; H22-I25 PolarHBondContact O-N 2.94Å; I25-S28 WeakPolarHBondContact O-CB 3.34Å; I25-S28 PolarHBondContact O-N 2.92Å; I25-L29 PolarHBondContact O-N 3.13Å |
| 26 | V | 95.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | H22 A23 S28 L29 V30 F83 I86 I87 | H22-V26 WeakPolarHBondContact O-CB 3.35Å; H22-V26 WeakPolarHBondContact O-CG2 3.39Å; H22-V26 PolarHBondContact O-N 3.36Å; A23-V26 PolarHBondContact O-N 3.01Å; V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 3.39Å; V26-L29 WeakPolarHBondContact O-CB 3.4Å; V26-L29 PolarHBondContact O-N 2.83Å; V26-L29 VanDerWaalsContact O-N 3.16Å; V26-V30 PolarHBondContact O-N 3.3Å; V26-F83 HydrophobicContact CG1-CB 3.47Å; V26-F83 VanDerWaalsContact CG1-CB 3.47Å; V26-F83 HydrophobicContact CG1-CD1 3.78Å; V26-F83 HydrophobicContact CG1-CG 3.88Å; V26-F83 WeakPolarHBondContact CG1-O 3.48Å; V26-I86 HydrophobicContact CB-CG2 4.37Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CD1 4.5Å; V26-I86 HydrophobicContact CG1-CG2 4.4Å; V26-I86 HydrophobicContact CG2-CD1 4.29Å; V26-I86 HydrophobicContact CG2-CG2 4.21Å; V26-I87 HydrophobicContact CG1-CD1 4.23Å; V26-I87 HydrophobicContact CG1-CG1 4.14Å |
| 27 | F | 96 | Very high | 93.6 | Very high | 103 Ų | 103 | 60 Ų | 60 | 45% | 0.452 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 172.4 | -179.8 | -100.8 | 0 | 0 | 0 | 111.7 | A23 D24 L29 V30 I31 I87 | A23-F27 WeakPolarHBondContact O-CB 3.44Å; A23-F27 PolarHBondContact O-N 3.01Å; D24-F27 PolarHBondContact O-N 3.1Å; F27-L29 VanDerWaalsContact C-N 3.29Å; F27-L29 PolarHBondContact O-N 3.32Å; F27-V30 PolarHBondContact O-N 2.95Å; F27-V30 VanDerWaalsContact O-N 3.15Å; F27-I31 HydrophobicContact CD1-CG1 4.03Å; F27-I31 HydrophobicContact CE1-CD1 4.12Å; F27-I31 HydrophobicContact CE1-CG1 3.61Å; F27-I31 HydrophobicContact CE2-CD1 4.08Å; F27-I31 HydrophobicContact CE2-CG1 4.2Å; F27-I31 HydrophobicContact CG-CG1 4.49Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.71Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 3.46Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.28Å; F27-I87 HydrophobicContact CD2-CD1 4.17Å |
| 28 | S | 96 | Very high | 93.9 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 52% | 0.524 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | D24 I25 V26 I31 F32 | D24-S28 WeakPolarHBondContact O-CB 3.48Å; D24-S28 PolarHBondContact O-N 2.91Å; D24-S28 PolarHBondContact O-OG 3.11Å; I25-S28 WeakPolarHBondContact O-CB 3.34Å; I25-S28 PolarHBondContact O-N 2.92Å; V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 3.39Å; S28-I31 PolarHBondContact O-N 2.75Å; S28-F32 WeakPolarHBondContact O-CB 3.4Å; S28-F32 PolarHBondContact O-N 3.05Å |
| 29 | L | 95.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 174.4 | -65.3 | 174.2 | 0 | 0 | 0 | 112.4 | I25 V26 F27 F32 I33 | I25-L29 PolarHBondContact O-N 3.13Å; V26-L29 WeakPolarHBondContact O-CB 3.4Å; V26-L29 PolarHBondContact O-N 2.83Å; V26-L29 VanDerWaalsContact O-N 3.16Å; F27-L29 VanDerWaalsContact C-N 3.29Å; F27-L29 PolarHBondContact O-N 3.32Å; L29-F32 WeakPolarHBondContact O-CB 3.5Å; L29-F32 PolarHBondContact O-N 2.82Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.98Å; L29-I33 VanDerWaalsContact O-N 3.09Å |
| 30 | V | 97 | Very high | 94.4 | Very high | 6 Ų | 6 | 75.1 Ų | 75.1 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | V26 F27 F32 I33 L34 F80 F83 I84 I87 | V26-V30 PolarHBondContact O-N 3.3Å; F27-V30 PolarHBondContact O-N 2.95Å; F27-V30 VanDerWaalsContact O-N 3.15Å; V30-F32 VanDerWaalsContact C-N 3.28Å; V30-F32 PolarHBondContact O-N 3.38Å; V30-I33 PolarHBondContact O-N 3.41Å; V30-I33 VanDerWaalsContact O-N 3.15Å; V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.47Å; V30-F80 HydrophobicContact CG1-CE2 4.06Å; V30-F80 HydrophobicContact CG1-CZ 4.11Å; V30-F83 HydrophobicContact CG2-CB 3.66Å; V30-I84 HydrophobicContact CB-CD1 4.48Å; V30-I84 HydrophobicContact CG1-CD1 3.68Å; V30-I84 HydrophobicContact CG2-CD1 3.98Å; V30-I87 HydrophobicContact CB-CD1 4.3Å; V30-I87 HydrophobicContact CG2-CD1 3.77Å |
| 31 | I | 96.9 | Very high | 94.6 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 32% | 0.323 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 176.7 | -65.5 | -56.6 | 0 | 0 | 0 | 111 | F27 S28 I33 L34 I35 | F27-I31 HydrophobicContact CD1-CG1 4.03Å; F27-I31 HydrophobicContact CE1-CD1 4.12Å; F27-I31 HydrophobicContact CE1-CG1 3.61Å; F27-I31 HydrophobicContact CE2-CD1 4.08Å; F27-I31 HydrophobicContact CE2-CG1 4.2Å; F27-I31 HydrophobicContact CG-CG1 4.49Å; F27-I31 HydrophobicContact CZ-CD1 3.69Å; F27-I31 HydrophobicContact CZ-CG1 3.71Å; F27-I31 WeakPolarHBondContact O-CG1 3.49Å; F27-I31 PolarHBondContact O-N 3.46Å; S28-I31 PolarHBondContact O-N 2.75Å; I31-I33 VanDerWaalsContact C-N 3.34Å; I31-I33 PolarHBondContact O-N 3.36Å; I31-L34 HydrophobicContact CD1-CD1 4.24Å; I31-L34 PolarHBondContact O-N 3.43Å; I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.22Å; I31-I35 VanDerWaalsContact O-CG1 3.32Å; I31-I35 WeakPolarHBondContact O-CG1 3.23Å; I31-I35 PolarHBondContact O-N 3.21Å |
| 32 | F | 96.1 | Very high | 94.8 | Very high | 156 Ų | 156 | 75.3 Ų | 75.3 | 68% | 0.684 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.4 | -44.4 | 175.2 | 178.2 | -100.6 | 0 | 0 | 0 | 112.3 | S28 L29 V30 I35 G36 | S28-F32 WeakPolarHBondContact O-CB 3.4Å; S28-F32 PolarHBondContact O-N 3.05Å; L29-F32 WeakPolarHBondContact O-CB 3.5Å; L29-F32 PolarHBondContact O-N 2.82Å; V30-F32 VanDerWaalsContact C-N 3.28Å; V30-F32 PolarHBondContact O-N 3.38Å; F32-I35 PolarHBondContact O-N 3Å; F32-G36 PolarHBondContact O-N 2.93Å; F32-G36 VanDerWaalsContact O-N 3.14Å |
| 33 | I | 95.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 75 Ų | 75 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.8 | -42 | 175.2 | -65.6 | 169.5 | 0 | 0 | 0 | 110.9 | L29 V30 I31 G36 A46 F49 I50 F80 | L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.98Å; L29-I33 VanDerWaalsContact O-N 3.09Å; V30-I33 PolarHBondContact O-N 3.41Å; V30-I33 VanDerWaalsContact O-N 3.15Å; I31-I33 VanDerWaalsContact C-N 3.34Å; I31-I33 PolarHBondContact O-N 3.36Å; I33-G36 WeakPolarHBondContact O-CA 3.22Å; I33-G36 PolarHBondContact O-N 2.85Å; I33-G36 VanDerWaalsContact O-N 3.09Å; I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.46Å; I33-F49 HydrophobicContact CD1-CD1 4.48Å; I33-F49 HydrophobicContact CG2-CB 4.1Å; I33-I50 HydrophobicContact CG2-CD1 4.39Å; I33-I50 HydrophobicContact CG2-CG1 4.47Å; I33-F80 HydrophobicContact CB-CD2 4.49Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.87Å; I33-F80 HydrophobicContact CD1-CE2 4.32Å; I33-F80 HydrophobicContact CG2-CD2 4.05Å; I33-F80 HydrophobicContact CG2-CE2 3.88Å |
| 34 | L | 95.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 82.5 Ų | 82.5 | 36% | 0.361 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.7 | -39.2 | 178.6 | -67.3 | 177.9 | 0 | 0 | 0 | 112.6 | V30 I31 G36 L37 I50 F80 | V30-L34 HydrophobicContact CG1-CD1 4.09Å; V30-L34 HydrophobicContact CG1-CG 4.38Å; V30-L34 WeakPolarHBondContact O-CG 3.27Å; V30-L34 PolarHBondContact O-N 3.47Å; I31-L34 HydrophobicContact CD1-CD1 4.24Å; I31-L34 PolarHBondContact O-N 3.43Å; L34-G36 PolarHBondContact O-N 3.23Å; L34-L37 HydrophobicContact CD2-CD1 4.3Å; L34-L37 VanDerWaalsContact O-CB 3.27Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 PolarHBondContact O-N 3.25Å; L34-I50 HydrophobicContact CD2-CD1 3.77Å; L34-F80 HydrophobicContact CD2-CZ 4.29Å |
| 35 | I | 96.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 82 Ų | 82 | 40% | 0.395 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 172.1 | -70.1 | 167.6 | 0 | 0 | 0 | 110.3 | I31 F32 L37 M38 F39 | I31-I35 HydrophobicContact CG2-CD1 3.76Å; I31-I35 HydrophobicContact CG2-CG1 4.22Å; I31-I35 VanDerWaalsContact O-CG1 3.32Å; I31-I35 WeakPolarHBondContact O-CG1 3.23Å; I31-I35 PolarHBondContact O-N 3.21Å; F32-I35 PolarHBondContact O-N 3Å; I35-L37 PolarHBondContact O-N 2.98Å; I35-L37 VanDerWaalsContact O-N 3.1Å; I35-M38 VanDerWaalsContact O-CB 3.29Å; I35-M38 WeakPolarHBondContact O-CB 3.37Å; I35-M38 PolarHBondContact O-N 2.84Å; I35-F39 HydrophobicContact CG2-CE2 3.95Å |
| 36 | G | 93.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 78.9 Ų | 78.9 | 12% | 0.124 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -56.8 | -21.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F32 I33 L34 M38 T42 A43 | F32-G36 PolarHBondContact O-N 2.93Å; F32-G36 VanDerWaalsContact O-N 3.14Å; I33-G36 WeakPolarHBondContact O-CA 3.22Å; I33-G36 PolarHBondContact O-N 2.85Å; I33-G36 VanDerWaalsContact O-N 3.09Å; L34-G36 PolarHBondContact O-N 3.23Å; G36-M38 VanDerWaalsContact C-N 3.31Å; G36-T42 WeakPolarHBondContact CA-OG1 3.39Å; G36-T42 CarbonylContact O-C 3.52Å; G36-T42 VanDerWaalsContact O-C 3.22Å; G36-T42 WeakPolarHBondContact O-CB 3.48Å; G36-T42 PolarHBondContact O-OG1 3.23Å; G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.41Å; G36-A43 VanDerWaalsContact O-N 3.14Å |
| 37 | L | 93.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 81.3 Ų | 81.3 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -73 | -21.9 | 172.3 | -66.3 | 173.7 | 0 | 0 | 0 | 113.4 | L34 I35 F39 A46 I47 I50 | L34-L37 HydrophobicContact CD2-CD1 4.3Å; L34-L37 VanDerWaalsContact O-CB 3.27Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 PolarHBondContact O-N 3.25Å; I35-L37 PolarHBondContact O-N 2.98Å; I35-L37 VanDerWaalsContact O-N 3.1Å; L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 PolarHBondContact O-N 3.12Å; L37-A46 HydrophobicContact CD2-CB 3.69Å; L37-A46 HydrophobicContact CG-CB 3.95Å; L37-I47 HydrophobicContact CD2-CG1 3.72Å; L37-I50 HydrophobicContact CD1-CD1 3.51Å; L37-I50 HydrophobicContact CD2-CD1 4.06Å; L37-I50 HydrophobicContact CG-CD1 3.89Å |
| 38 | M | 95 | Very high | 94.8 | Very high | 152 Ų | 152 | 78.3 Ų | 78.3 | 75% | 0.749 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -75.9 | -17.2 | -175.7 | -59.9 | -177.7 | 66.7 | 0 | 0 | 113.2 | I35 G36 | I35-M38 VanDerWaalsContact O-CB 3.29Å; I35-M38 WeakPolarHBondContact O-CB 3.37Å; I35-M38 PolarHBondContact O-N 2.84Å; G36-M38 VanDerWaalsContact C-N 3.31Å |
| 39 | F | 94.6 | Very high | 94.8 | Very high | 126 Ų | 126 | 77 Ų | 77 | 55% | 0.553 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -114.8 | 130.2 | -179.2 | -55.4 | -87.4 | 0 | 0 | 0 | 110.7 | I35 L37 A41 T42 A43 | I35-F39 HydrophobicContact CG2-CE2 3.95Å; L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 PolarHBondContact O-N 3.12Å; F39-A41 VanDerWaalsContact C-N 3.25Å; F39-A41 PolarHBondContact O-N 3.14Å; F39-T42 WeakPolarHBondContact CB-OG1 3.46Å; F39-T42 PolarHBondContact O-N 2.61Å; F39-T42 PolarHBondContact O-OG1 3.13Å; F39-A43 WeakPolarHBondContact O-CB 3.2Å; F39-A43 PolarHBondContact O-N 3.37Å |
| 40 | E | 92.1 | Very high | 94.8 | Very high | 181 Ų | 181 | 74.7 Ų | 74.7 | 85% | 0.846 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -54.7 | -40 | -177.7 | -171.9 | 179 | 177.2 | 0 | 0 | 112.9 | T42 | E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.5Å |
| 41 | A | 93 | Very high | 94.6 | Very high | 92 Ų | 92 | 79.6 Ų | 79.6 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.4 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F39 | F39-A41 VanDerWaalsContact C-N 3.25Å; F39-A41 PolarHBondContact O-N 3.14Å |
| 42 | T | 94.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 77 Ų | 77 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -99.7 | -15.6 | -177.4 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | G36 F39 E40 K44 T45 A46 | G36-T42 WeakPolarHBondContact CA-OG1 3.39Å; G36-T42 CarbonylContact O-C 3.52Å; G36-T42 VanDerWaalsContact O-C 3.22Å; G36-T42 WeakPolarHBondContact O-CB 3.48Å; G36-T42 PolarHBondContact O-OG1 3.23Å; F39-T42 WeakPolarHBondContact CB-OG1 3.46Å; F39-T42 PolarHBondContact O-N 2.61Å; F39-T42 PolarHBondContact O-OG1 3.13Å; E40-T42 VanDerWaalsContact C-N 3.34Å; E40-T42 PolarHBondContact O-N 3.5Å; T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.15Å; T42-T45 PolarHBondContact O-N 2.96Å; T42-A46 PolarHBondContact O-N 2.8Å |
| 43 | A | 94.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 70.9 Ų | 70.9 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G36 F39 T45 A46 I47 | G36-A43 WeakPolarHBondContact O-CA 3.42Å; G36-A43 PolarHBondContact O-N 3.41Å; G36-A43 VanDerWaalsContact O-N 3.14Å; F39-A43 WeakPolarHBondContact O-CB 3.2Å; F39-A43 PolarHBondContact O-N 3.37Å; A43-T45 VanDerWaalsContact C-N 3.26Å; A43-T45 PolarHBondContact O-N 3.38Å; A43-A46 PolarHBondContact O-N 3.45Å; A43-I47 WeakPolarHBondContact O-CB 3.35Å; A43-I47 VanDerWaalsContact O-CG1 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.49Å; A43-I47 PolarHBondContact O-N 3.05Å |
| 44 | K | 92.4 | Very high | 94.3 | Very high | 178 Ų | 178 | 72.9 Ų | 72.9 | 77% | 0.774 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.7 | -39.5 | 178.1 | -67.1 | -177.8 | -178.6 | 175.4 | 0 | 112.1 | T42 | T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.15Å |
| 45 | T | 94 | Very high | 94.3 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 53% | 0.534 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.5 | -41 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | T42 A43 L48 F49 | T42-T45 PolarHBondContact O-N 2.96Å; A43-T45 VanDerWaalsContact C-N 3.26Å; A43-T45 PolarHBondContact O-N 3.38Å; T45-L48 VanDerWaalsContact O-CB 3.26Å; T45-L48 WeakPolarHBondContact O-CB 3.28Å; T45-L48 PolarHBondContact O-N 2.81Å; T45-F49 HydrophobicContact CG2-CE2 4.38Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.3Å |
| 46 | A | 94.9 | Very high | 94 | Very high | 6 Ų | 6 | 74 Ų | 74 | 5% | 0.05 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I33 L37 T42 A43 L48 F49 I50 | I33-A46 HydrophobicContact CG2-CB 4.39Å; I33-A46 WeakPolarHBondContact O-CB 3.46Å; L37-A46 HydrophobicContact CD2-CB 3.69Å; L37-A46 HydrophobicContact CG-CB 3.95Å; T42-A46 PolarHBondContact O-N 2.8Å; A43-A46 PolarHBondContact O-N 3.45Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 PolarHBondContact O-N 3.21Å; A46-F49 WeakPolarHBondContact O-CB 3.46Å; A46-F49 PolarHBondContact O-N 3.43Å; A46-F49 VanDerWaalsContact O-N 3.09Å; A46-I50 WeakPolarHBondContact O-CG1 3.29Å; A46-I50 PolarHBondContact O-N 3.3Å |
| 47 | I | 94.6 | Very high | 93.9 | Very high | 64 Ų | 64 | 76.3 Ų | 76.3 | 33% | 0.328 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -34.4 | 177.7 | -70.9 | 165 | 0 | 0 | 0 | 111.9 | L37 A43 F49 I50 Q51 Q53 | L37-I47 HydrophobicContact CD2-CG1 3.72Å; A43-I47 WeakPolarHBondContact O-CB 3.35Å; A43-I47 VanDerWaalsContact O-CG1 3.23Å; A43-I47 WeakPolarHBondContact O-CG1 3.49Å; A43-I47 PolarHBondContact O-N 3.05Å; I47-F49 PolarHBondContact O-N 3.13Å; I47-I50 PolarHBondContact O-N 2.84Å; I47-I50 VanDerWaalsContact O-N 3.11Å; I47-Q51 HydrophobicContact CG2-CB 4.39Å; I47-Q51 HydrophobicContact CG2-CG 4.46Å; I47-Q51 PolarHBondContact O-N 3.36Å; I47-Q53 PolarHBondContact O-NE2 3.49Å |
| 48 | L | 94.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 76.3 Ų | 76.3 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54 | -37.4 | 175.1 | -179.2 | 64 | 0 | 0 | 0 | 112.5 | T45 A46 Q53 K73 A76 T77 | T45-L48 VanDerWaalsContact O-CB 3.26Å; T45-L48 WeakPolarHBondContact O-CB 3.28Å; T45-L48 PolarHBondContact O-N 2.81Å; A46-L48 VanDerWaalsContact C-N 3.25Å; A46-L48 PolarHBondContact O-N 3.21Å; L48-Q53 HydrophobicContact CD1-CG 4.02Å; L48-Q53 PolarHBondContact O-NE2 2.96Å; L48-K73 HydrophobicContact CD1-CB 3.71Å; L48-K73 HydrophobicContact CD1-CD 3.88Å; L48-K73 HydrophobicContact CD1-CG 3.89Å; L48-A76 HydrophobicContact CD1-CB 4.48Å; L48-A76 HydrophobicContact CD2-CB 4.2Å; L48-A76 HydrophobicContact CG-CB 3.82Å; L48-T77 PolarHBondContact O-OG1 3.05Å |
| 49 | F | 95.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 76.7 Ų | 76.7 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -80.3 | -31.2 | 179.5 | -74.4 | -84.2 | 0 | 0 | 0 | 112.6 | I33 T45 A46 I47 A76 T77 L79 F80 | I33-F49 HydrophobicContact CD1-CD1 4.48Å; I33-F49 HydrophobicContact CG2-CB 4.1Å; T45-F49 HydrophobicContact CG2-CE2 4.38Å; T45-F49 VanDerWaalsContact O-CD2 3.29Å; T45-F49 WeakPolarHBondContact O-CD2 3.3Å; A46-F49 WeakPolarHBondContact O-CB 3.46Å; A46-F49 PolarHBondContact O-N 3.43Å; A46-F49 VanDerWaalsContact O-N 3.09Å; I47-F49 PolarHBondContact O-N 3.13Å; F49-A76 HydrophobicContact CD1-CB 4.03Å; F49-A76 VanDerWaalsContact CD1-O 3.26Å; F49-A76 WeakPolarHBondContact CD1-O 3.49Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.45Å; F49-A76 HydrophobicContact CZ-CB 4.4Å; F49-T77 WeakPolarHBondContact O-CA 3.37Å; F49-L79 HydrophobicContact CE1-CD2 4.3Å; F49-F80 HydrophobicContact CB-CB 3.9Å; F49-F80 HydrophobicContact CB-CD2 4.09Å; F49-F80 HydrophobicContact CB-CG 4.13Å; F49-F80 HydrophobicContact CD1-CB 4.26Å; F49-F80 WeakPolarHBondContact O-CB 3.46Å; F49-F80 WeakPolarHBondContact O-CG 3.46Å |
| 50 | I | 95.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -94.8 | -41.6 | -166.6 | -62.5 | 168.8 | 0 | 0 | 0 | 112 | I33 L34 L37 A46 I47 F80 Y81 | I33-I50 HydrophobicContact CG2-CD1 4.39Å; I33-I50 HydrophobicContact CG2-CG1 4.47Å; L34-I50 HydrophobicContact CD2-CD1 3.77Å; L37-I50 HydrophobicContact CD1-CD1 3.51Å; L37-I50 HydrophobicContact CD2-CD1 4.06Å; L37-I50 HydrophobicContact CG-CD1 3.89Å; A46-I50 WeakPolarHBondContact O-CG1 3.29Å; A46-I50 PolarHBondContact O-N 3.3Å; I47-I50 PolarHBondContact O-N 2.84Å; I47-I50 VanDerWaalsContact O-N 3.11Å; I50-F80 HydrophobicContact CG1-CD1 4.37Å; I50-F80 HydrophobicContact CG1-CD2 4.48Å; I50-F80 HydrophobicContact CG1-CE1 4Å; I50-F80 HydrophobicContact CG1-CE2 4.12Å; I50-F80 HydrophobicContact CG1-CZ 3.87Å; I50-Y81 WeakPolarHBondContact O-CE2 3.45Å; I50-Y81 PolarHBondContact O-OH 2.98Å |
| 51 | Q | 94.6 | Very high | 91.5 | Very high | 110 Ų | 110 | 73.6 Ų | 73.6 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -102.4 | 150 | -173 | -65.6 | -175.8 | -1.6 | 0 | 0 | 112 | I47 Q53 T77 | I47-Q51 HydrophobicContact CG2-CB 4.39Å; I47-Q51 HydrophobicContact CG2-CG 4.46Å; I47-Q51 PolarHBondContact O-N 3.36Å; Q51-Q53 PolarHBondContact O-N 3.43Å; Q51-Q53 PolarHBondContact O-NE2 3.43Å; Q51-T77 PolarHBondContact O-OG1 3.39Å |
| 52 | P | 94.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 78.4 Ų | 78.4 | 5% | 0.045 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 135.2 | 166.7 | -23.4 | 35.2 | 0 | 0 | 0 | 111.3 | Y68 F158 K161 F162 L165 | P52-Y68 HydrophobicContact CB-CD1 3.99Å; P52-Y68 HydrophobicContact CB-CE1 4.01Å; P52-Y68 WeakPolarHBondContact O-CE1 3.32Å; P52-F158 HydrophobicContact CG-CD2 3.83Å; P52-F158 HydrophobicContact CG-CE2 3.54Å; P52-F158 HydrophobicContact CG-CZ 4.45Å; P52-K161 HydrophobicContact CB-CD 3.95Å; P52-K161 HydrophobicContact CB-CG 4.23Å; P52-F162 HydrophobicContact CG-CB 4.14Å; P52-F162 HydrophobicContact CG-CD2 4.01Å; P52-F162 HydrophobicContact CG-CG 4.43Å; P52-L165 HydrophobicContact CB-CD1 4.5Å |
| 53 | Q | 94.1 | Very high | 90.1 | Very high | 28 Ų | 28 | 77.1 Ų | 77.1 | 13% | 0.131 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -92.3 | 173.7 | -172.9 | -58.9 | -63.4 | -55.8 | 0 | 0 | 112 | I47 L48 Q51 Y68 K73 K161 | I47-Q53 PolarHBondContact O-NE2 3.49Å; L48-Q53 HydrophobicContact CD1-CG 4.02Å; L48-Q53 PolarHBondContact O-NE2 2.96Å; Q51-Q53 PolarHBondContact O-N 3.43Å; Q51-Q53 PolarHBondContact O-NE2 3.43Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.4Å; Q53-K73 HydrophobicContact CB-CB 3.99Å; Q53-K73 HydrophobicContact CG-CB 3.87Å; Q53-K161 PolarHBondContact O-NZ 2.92Å |
| 54 | Y | 93.8 | Very high | 89.7 | Confident | 69 Ų | 69 | 83 Ų | 83 | 27% | 0.271 | 43% | 0.432 | S | S | . | . | trans | 61 | 44.7 | 175.5 | -48 | -84.1 | 0 | 0 | 0 | 114.1 | Y68 H69 G71 W72 K73 | Y54-Y68 WeakPolarHBondContact O-CA 3.39Å; Y54-H69 PolarHBondContact O-N 3.17Å; Y54-G71 VanDerWaalsContact CE2-C 3.46Å; Y54-W72 VanDerWaalsContact OH-CD1 3.3Å; Y54-W72 PolarHBondContact OH-N 3.14Å; Y54-W72 VanDerWaalsContact OH-N 3.15Å; Y54-K73 HydrophobicContact CE1-CD 4.49Å; Y54-K73 HydrophobicContact CE2-CB 3.73Å; Y54-K73 HydrophobicContact CE2-CG 4.4Å; Y54-K73 WeakPolarHBondContact OH-CG 3.27Å; Y54-K73 PolarHBondContact OH-N 2.84Å | ||
| 55 | N | 93.9 | Very high | 89.4 | Confident | 99 Ų | 99 | 77.3 Ų | 77.3 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 135.5 | 172.1 | 65.9 | -59.4 | 0 | 0 | 0 | 110.5 | T66 T67 Y68 | N55-T66 HydrophobicContact CB-CG2 3.94Å; N55-T67 CarbonylContact C-O 3.36Å; N55-T67 WeakPolarHBondContact CA-O 3.5Å; N55-Y68 HydrophobicContact CB-CD1 3.92Å; N55-Y68 HydrophobicContact CB-CE1 3.6Å |
| 56 | I | 91.2 | Very high | 89.4 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 36% | 0.359 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.7 | 171 | -58 | -169.4 | 0 | 0 | 0 | 107.2 | T58 T66 T67 H69 | I56-T58 HydrophobicContact CG2-CG2 4.22Å; I56-T66 WeakPolarHBondContact O-CA 3.4Å; I56-T67 PolarHBondContact N-O 3.39Å; I56-T67 PolarHBondContact O-N 3.48Å; I56-H69 WeakPolarHBondContact CD1-CD2 3.43Å; I56-H69 WeakPolarHBondContact CD1-NE2 3.41Å |
| 57 | T | 90.4 | Very high | 89.3 | Confident | 60 Ų | 60 | 76.5 Ų | 76.5 | 37% | 0.368 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.4 | -178.6 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | E64 V65 T66 | T57-E64 VanDerWaalsContact CG2-CD 3.46Å; T57-E64 HydrophobicContact CG2-CG 3.14Å; T57-E64 WeakPolarHBondContact CG2-OE1 3.19Å; T57-V65 WeakPolarHBondContact CA-O 3.34Å; T57-T66 WeakPolarHBondContact CG2-OG1 3.36Å; T57-T66 PolarHBondContact OG1-OG1 2.91Å; T57-T66 VanDerWaalsContact OG1-OG1 3.09Å |
| 58 | T | 86.8 | Confident | 89.4 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.442 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.7 | -178.4 | 53 | 0 | 0 | 0 | 0 | 109.6 | I56 S60 V65 | I56-T58 HydrophobicContact CG2-CG2 4.22Å; T58-S60 PolarHBondContact O-N 3.22Å; T58-V65 PolarHBondContact N-O 3.4Å; T58-V65 PolarHBondContact O-N 2.67Å; T58-V65 PolarHBondContact OG1-O 3.03Å |
| 59 | L | 85.9 | Confident | 89.3 | Confident | 161 Ų | 161 | 75.5 Ų | 75.5 | 84% | 0.843 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 116 | 175.1 | -147.5 | 102.4 | 0 | 0 | 0 | 109.1 | ||
| 60 | S | 76.3 | Confident | 89.1 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 163.1 | 172.3 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | T58 E62 G63 | T58-S60 PolarHBondContact O-N 3.22Å; S60-E62 PolarHBondContact O-N 3.21Å; S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 WeakPolarHBondContact CB-O 3.42Å; S60-G63 PolarHBondContact N-O 3.21Å; S60-G63 PolarHBondContact O-N 3.09Å |
| 61 | L | 77.3 | Confident | 89 | Confident | 185 Ų | 185 | 75.6 Ų | 75.6 | 97% | 0.969 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.1 | 171.3 | -70.1 | 167.8 | 0 | 0 | 0 | 112.4 | ||
| 62 | E | 76 | Confident | 89 | Confident | 192 Ų | 192 | 79.5 Ų | 79.5 | 90% | 0.897 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 1 | 178.3 | -61.8 | -177.1 | 168 | 0 | 0 | 113.4 | S60 | S60-E62 PolarHBondContact O-N 3.21Š|
| 63 | G | 82.4 | Confident | 89.1 | Confident | 34 Ų | 34 | 83.1 Ų | 83.1 | 35% | 0.351 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.7 | -172.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S60 V65 | S60-G63 WeakPolarHBondContact CA-O 3.3Å; S60-G63 WeakPolarHBondContact CB-O 3.42Å; S60-G63 PolarHBondContact N-O 3.21Å; S60-G63 PolarHBondContact O-N 3.09Å; G63-V65 PolarHBondContact O-N 2.68Å |
| 64 | E | 85.1 | Confident | 89.2 | Confident | 145 Ų | 145 | 81.9 Ų | 81.9 | 68% | 0.678 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.2 | -178.8 | -171.2 | 175.3 | -160.6 | 0 | 0 | 110.6 | T57 | T57-E64 VanDerWaalsContact CG2-CD 3.46Å; T57-E64 HydrophobicContact CG2-CG 3.14Å; T57-E64 WeakPolarHBondContact CG2-OE1 3.19Å |
| 65 | V | 87.4 | Confident | 89.4 | Confident | 58 Ų | 58 | 82.7 Ų | 82.7 | 35% | 0.352 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.2 | 178 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | T57 T58 G63 T67 | T57-V65 WeakPolarHBondContact CA-O 3.34Å; T58-V65 PolarHBondContact N-O 3.4Å; T58-V65 PolarHBondContact O-N 2.67Å; T58-V65 PolarHBondContact OG1-O 3.03Å; G63-V65 PolarHBondContact O-N 2.68Å; V65-T67 HydrophobicContact CG1-CG2 4.24Å |
| 66 | T | 92.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 78.7 Ų | 78.7 | 33% | 0.331 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.2 | 175.9 | -60 | 0 | 0 | 0 | 0 | 110.8 | N55 I56 T57 Y68 | N55-T66 HydrophobicContact CB-CG2 3.94Å; I56-T66 WeakPolarHBondContact O-CA 3.4Å; T57-T66 WeakPolarHBondContact CG2-OG1 3.36Å; T57-T66 PolarHBondContact OG1-OG1 2.91Å; T57-T66 VanDerWaalsContact OG1-OG1 3.09Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å |
| 67 | T | 94.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 75.4 Ų | 75.4 | 13% | 0.129 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 169.9 | 175.7 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | N55 I56 V65 H155 L156 | N55-T67 CarbonylContact C-O 3.36Å; N55-T67 WeakPolarHBondContact CA-O 3.5Å; I56-T67 PolarHBondContact N-O 3.39Å; I56-T67 PolarHBondContact O-N 3.48Å; V65-T67 HydrophobicContact CG1-CG2 4.24Å; T67-H155 HydrophobicContact CG2-CB 4.26Å; T67-H155 PolarHBondContact OG1-ND1 3.09Å; T67-L156 CarbonylContact C-O 3.48Å; T67-L156 WeakPolarHBondContact CA-O 3.37Å |
| 68 | Y | 95.4 | Very high | 90.3 | Very high | 35 Ų | 35 | 73.5 Ų | 73.5 | 14% | 0.137 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.9 | -173.1 | -60.3 | -103.6 | 0 | 0 | 0 | 111.5 | P52 Q53 Y54 N55 T66 L156 F158 K161 | P52-Y68 HydrophobicContact CB-CD1 3.99Å; P52-Y68 HydrophobicContact CB-CE1 4.01Å; P52-Y68 WeakPolarHBondContact O-CE1 3.32Å; Q53-Y68 WeakPolarHBondContact O-CD1 3.4Å; Y54-Y68 WeakPolarHBondContact O-CA 3.39Å; N55-Y68 HydrophobicContact CB-CD1 3.92Å; N55-Y68 HydrophobicContact CB-CE1 3.6Å; T66-Y68 HydrophobicContact CG2-CE2 3.95Å; Y68-L156 PolarHBondContact N-O 3.36Å; Y68-L156 WeakPolarHBondContact O-CB 3.25Å; Y68-L156 PolarHBondContact O-N 3.39Å; Y68-F158 HydrophobicContact CD2-CB 4.35Å; Y68-F158 HydrophobicContact CE2-CB 3.68Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; Y68-K161 HydrophobicContact CD1-CD 4.24Å; Y68-K161 HydrophobicContact CG-CD 4.02Å |
| 69 | H | 93.5 | Very high | 90.8 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 22% | 0.222 | 38% | 0.384 | C | S | . | . | trans | -94.8 | 159.5 | 169 | -70.4 | -92.7 | 0 | 0 | 0 | 111.5 | Y54 I56 S154 H155 K161 | Y54-H69 PolarHBondContact O-N 3.17Å; I56-H69 WeakPolarHBondContact CD1-CD2 3.43Å; I56-H69 WeakPolarHBondContact CD1-NE2 3.41Å; H69-S154 PolarHBondContact ND1-O 3.25Å; H69-S154 VanDerWaalsContact ND1-O 3.16Å; H69-H155 AromaticContact CE1-CE1 3.29Å; H69-H155 PolarHBondContact CE1-CE1 3.08Å; H69-H155 AromaticContact CE1-ND1 3.54Å; H69-H155 AromaticContact CE1-NE2 3.72Å; H69-H155 AromaticContact NE2-CE1 2.97Å; H69-H155 PolarHBondContact NE2-CE1 3.02Å; H69-H155 AromaticContact NE2-ND1 3.09Å; H69-H155 PolarHBondContact NE2-ND1 3.41Å; H69-H155 AromaticContact NE2-NE2 3.85Å; H69-K161 PolarHBondContact O-NZ 2.96Å | ||
| 70 | Y | 91.3 | Very high | 91.4 | Very high | 65 Ų | 65 | 66.5 Ų | 66.5 | 26% | 0.255 | 35% | 0.346 | S | S | . | . | trans | -74.3 | 156.2 | 166.5 | 77.6 | -97.4 | 0 | 0 | 0 | 111 | D74 Y206 L207 | Y70-D74 WeakPolarHBondContact CA-OD2 3.33Å; Y70-Y206 WeakPolarHBondContact CA-OH 3.35Å; Y70-Y206 VanDerWaalsContact CB-CZ 3.48Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.21Å; Y70-L207 HydrophobicContact CD2-CD2 4.03Å; Y70-L207 HydrophobicContact CE2-CD2 4.25Å | ||
| 71 | G | 92.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 66 Ų | 66 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | trans | -177.9 | 174.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y54 K73 D74 | Y54-G71 VanDerWaalsContact CE2-C 3.46Å; G71-K73 PolarHBondContact O-N 3.29Å; G71-K73 VanDerWaalsContact O-N 3.14Å; G71-D74 PolarHBondContact N-OD2 3.31Å; G71-D74 WeakPolarHBondContact O-CB 3.38Å; G71-D74 VanDerWaalsContact O-CG 3.25Å; G71-D74 PolarHBondContact O-N 3.24Å | ||
| 72 | W | 94.6 | Very high | 93.4 | Very high | 192 Ų | 192 | 58.8 Ų | 58.8 | 73% | 0.727 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -29.3 | -171.3 | 77.1 | -96 | 0 | 0 | 0 | 114 | Y54 D74 C75 | Y54-W72 VanDerWaalsContact OH-CD1 3.3Å; Y54-W72 PolarHBondContact OH-N 3.14Å; Y54-W72 VanDerWaalsContact OH-N 3.15Å; W72-D74 PolarHBondContact O-N 2.85Å; W72-C75 VanDerWaalsContact O-CB 3.28Å; W72-C75 WeakPolarHBondContact O-CB 3.25Å; W72-C75 PolarHBondContact O-N 3.21Å; W72-C75 PolarHBondContact O-SG 3.1Å; W72-C75 VanDerWaalsContact O-SG 3.41Å |
| 73 | K | 96.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -21.2 | 176.9 | -70.6 | -179.6 | 178.2 | 179.7 | 0 | 112.7 | L48 Q53 Y54 G71 C75 A76 | L48-K73 HydrophobicContact CD1-CB 3.71Å; L48-K73 HydrophobicContact CD1-CD 3.88Å; L48-K73 HydrophobicContact CD1-CG 3.89Å; Q53-K73 HydrophobicContact CB-CB 3.99Å; Q53-K73 HydrophobicContact CG-CB 3.87Å; Y54-K73 HydrophobicContact CE1-CD 4.49Å; Y54-K73 HydrophobicContact CE2-CB 3.73Å; Y54-K73 HydrophobicContact CE2-CG 4.4Å; Y54-K73 WeakPolarHBondContact OH-CG 3.27Å; Y54-K73 PolarHBondContact OH-N 2.84Å; G71-K73 PolarHBondContact O-N 3.29Å; G71-K73 VanDerWaalsContact O-N 3.14Å; K73-C75 PolarHBondContact O-N 2.8Å; K73-A76 WeakPolarHBondContact O-CB 3.26Å; K73-A76 PolarHBondContact O-N 3.45Å; K73-A76 VanDerWaalsContact O-N 3.08Å |
| 74 | D | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -23 | 174.2 | -64.5 | -24.5 | 0 | 0 | 0 | 112 | Y70 G71 W72 A76 T77 I78 K161 L165 Y206 | Y70-D74 WeakPolarHBondContact CA-OD2 3.33Å; G71-D74 PolarHBondContact N-OD2 3.31Å; G71-D74 WeakPolarHBondContact O-CB 3.38Å; G71-D74 VanDerWaalsContact O-CG 3.25Å; G71-D74 PolarHBondContact O-N 3.24Å; W72-D74 PolarHBondContact O-N 2.85Å; D74-A76 VanDerWaalsContact C-N 3.27Å; D74-A76 PolarHBondContact O-N 2.82Å; D74-T77 WeakPolarHBondContact O-CB 3.47Å; D74-T77 PolarHBondContact O-N 3.3Å; D74-I78 WeakPolarHBondContact O-CB 3.43Å; D74-I78 VanDerWaalsContact O-CG1 3.26Å; D74-I78 WeakPolarHBondContact O-CG1 3.38Å; D74-I78 PolarHBondContact O-N 2.89Å; D74-K161 VanDerWaalsContact CG-NZ 3.32Å; D74-K161 WeakPolarHBondContact OD1-CE 3.37Å; D74-K161 IonicContact OD1-NZ 3.87Å; D74-K161 PolarHBondContact OD1-NZ 2.94Å; D74-K161 WeakPolarHBondContact OD2-CE 3.34Å; D74-K161 IonicContact OD2-NZ 2.9Å; D74-K161 PolarHBondContact OD2-NZ 3.46Å; D74-K161 VanDerWaalsContact OD2-NZ 3.16Å; D74-L165 HydrophobicContact CB-CD1 4.25Å; D74-L165 HydrophobicContact CB-CD2 3.75Å; D74-Y206 PolarHBondContact OD2-OH 3.28Å |
| 75 | C | 97.5 | Very high | 95.9 | Very high | 85 Ų | 85 | 45.4 Ų | 45.4 | 57% | 0.574 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.6 | -35.7 | 174 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | W72 K73 L79 | W72-C75 VanDerWaalsContact O-CB 3.28Å; W72-C75 WeakPolarHBondContact O-CB 3.25Å; W72-C75 PolarHBondContact O-N 3.21Å; W72-C75 PolarHBondContact O-SG 3.1Å; W72-C75 VanDerWaalsContact O-SG 3.41Å; K73-C75 PolarHBondContact O-N 2.8Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 2.77Å |
| 76 | A | 97.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L48 F49 K73 D74 L79 F80 | L48-A76 HydrophobicContact CD1-CB 4.48Å; L48-A76 HydrophobicContact CD2-CB 4.2Å; L48-A76 HydrophobicContact CG-CB 3.82Å; F49-A76 HydrophobicContact CD1-CB 4.03Å; F49-A76 VanDerWaalsContact CD1-O 3.26Å; F49-A76 WeakPolarHBondContact CD1-O 3.49Å; F49-A76 HydrophobicContact CE1-CB 4Å; F49-A76 HydrophobicContact CG-CB 4.45Å; F49-A76 HydrophobicContact CZ-CB 4.4Å; K73-A76 WeakPolarHBondContact O-CB 3.26Å; K73-A76 PolarHBondContact O-N 3.45Å; K73-A76 VanDerWaalsContact O-N 3.08Å; D74-A76 VanDerWaalsContact C-N 3.27Å; D74-A76 PolarHBondContact O-N 2.82Å; A76-L79 PolarHBondContact O-N 2.86Å; A76-F80 PolarHBondContact O-N 3.3Å |
| 77 | T | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 174.6 | -43.4 | 0 | 0 | 0 | 0 | 111.5 | L48 F49 Q51 D74 L79 F80 Y81 L165 | L48-T77 PolarHBondContact O-OG1 3.05Å; F49-T77 WeakPolarHBondContact O-CA 3.37Å; Q51-T77 PolarHBondContact O-OG1 3.39Å; D74-T77 WeakPolarHBondContact O-CB 3.47Å; D74-T77 PolarHBondContact O-N 3.3Å; T77-L79 VanDerWaalsContact C-N 3.29Å; T77-L79 PolarHBondContact O-N 3.4Å; T77-F80 WeakPolarHBondContact O-CB 3.19Å; T77-F80 PolarHBondContact O-N 3.46Å; T77-Y81 HydrophobicContact CG2-CD2 3.85Å; T77-Y81 HydrophobicContact CG2-CE2 3.81Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.42Å; T77-Y81 PolarHBondContact O-N 2.9Å; T77-L165 HydrophobicContact CG2-CD1 3.9Å |
| 78 | I | 98.6 | Very high | 96.8 | Very high | 21 Ų | 21 | 45.4 Ų | 45.4 | 11% | 0.108 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -42.7 | 175.7 | -69.4 | 165.2 | 0 | 0 | 0 | 110.7 | D74 F80 Y81 F82 L165 L168 A169 L172 | D74-I78 WeakPolarHBondContact O-CB 3.43Å; D74-I78 VanDerWaalsContact O-CG1 3.26Å; D74-I78 WeakPolarHBondContact O-CG1 3.38Å; D74-I78 PolarHBondContact O-N 2.89Å; I78-F80 PolarHBondContact O-N 2.81Å; I78-Y81 PolarHBondContact O-N 3.05Å; I78-F82 WeakPolarHBondContact O-CB 3.45Å; I78-F82 PolarHBondContact O-N 3.48Å; I78-L165 HydrophobicContact CD1-CD2 3.96Å; I78-L165 HydrophobicContact CG1-CB 4.16Å; I78-L165 HydrophobicContact CG1-CD2 3.95Å; I78-L168 HydrophobicContact CD1-CB 4.17Å; I78-L168 HydrophobicContact CD1-CD1 3.76Å; I78-L168 HydrophobicContact CG1-CB 4.36Å; I78-L168 HydrophobicContact CG2-CB 4.35Å; I78-A169 HydrophobicContact CG2-CB 4.2Å; I78-A169 WeakPolarHBondContact O-CB 3.43Å; I78-L172 HydrophobicContact CG2-CD1 3.51Å |
| 79 | L | 98.2 | Very high | 96.9 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -40.8 | 178.2 | -179.1 | 61.1 | 0 | 0 | 0 | 112.3 | F49 C75 A76 T77 F82 F83 | F49-L79 HydrophobicContact CE1-CD2 4.3Å; C75-L79 WeakPolarHBondContact O-CB 3.28Å; C75-L79 PolarHBondContact O-N 2.77Å; A76-L79 PolarHBondContact O-N 2.86Å; T77-L79 VanDerWaalsContact C-N 3.29Å; T77-L79 PolarHBondContact O-N 3.4Å; L79-F82 HydrophobicContact CD1-CD1 4.08Å; L79-F82 WeakPolarHBondContact O-CB 3.41Å; L79-F82 PolarHBondContact O-N 3.34Å; L79-F83 HydrophobicContact CD1-CE1 4.18Å; L79-F83 HydrophobicContact CD1-CE2 4.33Å; L79-F83 HydrophobicContact CD1-CZ 3.85Å; L79-F83 HydrophobicContact CG-CE2 4.09Å; L79-F83 HydrophobicContact CG-CZ 4.08Å; L79-F83 PolarHBondContact O-N 3.33Å |
| 80 | F | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -50.1 | 175.7 | -178.2 | -101.5 | 0 | 0 | 0 | 111.8 | V30 I33 L34 F49 I50 A76 T77 I78 F82 F83 I84 | V30-F80 HydrophobicContact CG1-CE2 4.06Å; V30-F80 HydrophobicContact CG1-CZ 4.11Å; I33-F80 HydrophobicContact CB-CD2 4.49Å; I33-F80 HydrophobicContact CB-CE2 4.19Å; I33-F80 HydrophobicContact CD1-CD2 3.87Å; I33-F80 HydrophobicContact CD1-CE2 4.32Å; I33-F80 HydrophobicContact CG2-CD2 4.05Å; I33-F80 HydrophobicContact CG2-CE2 3.88Å; L34-F80 HydrophobicContact CD2-CZ 4.29Å; F49-F80 HydrophobicContact CB-CB 3.9Å; F49-F80 HydrophobicContact CB-CD2 4.09Å; F49-F80 HydrophobicContact CB-CG 4.13Å; F49-F80 HydrophobicContact CD1-CB 4.26Å; F49-F80 WeakPolarHBondContact O-CB 3.46Å; F49-F80 WeakPolarHBondContact O-CG 3.46Å; I50-F80 HydrophobicContact CG1-CD1 4.37Å; I50-F80 HydrophobicContact CG1-CD2 4.48Å; I50-F80 HydrophobicContact CG1-CE1 4Å; I50-F80 HydrophobicContact CG1-CE2 4.12Å; I50-F80 HydrophobicContact CG1-CZ 3.87Å; A76-F80 PolarHBondContact O-N 3.3Å; T77-F80 WeakPolarHBondContact O-CB 3.19Å; T77-F80 PolarHBondContact O-N 3.46Å; I78-F80 PolarHBondContact O-N 2.81Å; F80-F82 PolarHBondContact O-N 3.26Å; F80-F83 WeakPolarHBondContact O-CB 3.4Å; F80-F83 PolarHBondContact O-N 3.13Å; F80-F83 VanDerWaalsContact O-N 3.07Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.27Å; F80-I84 HydrophobicContact CE1-CG1 4Å; F80-I84 HydrophobicContact CZ-CD1 4.23Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 PolarHBondContact O-N 2.97Å; F80-I84 VanDerWaalsContact O-N 3.1Å |
| 81 | Y | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 18% | 0.18 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -21 | 178.5 | -75.9 | -78.8 | 0 | 0 | 0 | 112.9 | I50 T77 I78 I84 A85 F162 | I50-Y81 WeakPolarHBondContact O-CE2 3.45Å; I50-Y81 PolarHBondContact O-OH 2.98Å; T77-Y81 HydrophobicContact CG2-CD2 3.85Å; T77-Y81 HydrophobicContact CG2-CE2 3.81Å; T77-Y81 VanDerWaalsContact O-CD2 3.28Å; T77-Y81 WeakPolarHBondContact O-CD2 3.42Å; T77-Y81 PolarHBondContact O-N 2.9Å; I78-Y81 PolarHBondContact O-N 3.05Å; Y81-I84 HydrophobicContact CD1-CB 4.47Å; Y81-I84 HydrophobicContact CD1-CG1 4.39Å; Y81-I84 PolarHBondContact O-N 3.31Å; Y81-A85 WeakPolarHBondContact O-CB 3.16Å; Y81-A85 PolarHBondContact O-N 3.18Å; Y81-F162 HydrophobicContact CD1-CE2 4.33Å; Y81-F162 HydrophobicContact CD1-CZ 4.28Å; Y81-F162 HydrophobicContact CD2-CE2 4.13Å; Y81-F162 AromaticContact CE1-CE2 3.7Å; Y81-F162 HydrophobicContact CE1-CE2 3.7Å; Y81-F162 AromaticContact CE1-CZ 3.51Å; Y81-F162 HydrophobicContact CE1-CZ 3.51Å; Y81-F162 AromaticContact CE2-CE2 3.5Å; Y81-F162 HydrophobicContact CE2-CE2 3.5Å; Y81-F162 VanDerWaalsContact CE2-CE2 3.5Å; Y81-F162 HydrophobicContact CE2-CZ 4.18Å; Y81-F162 AromaticContact CZ-CE2 3.24Å; Y81-F162 AromaticContact CZ-CZ 3.45Å; Y81-F162 VanDerWaalsContact CZ-CZ 3.45Å; Y81-F162 VanDerWaalsContact OH-CE2 3.29Å; Y81-F162 WeakPolarHBondContact OH-CE2 3.48Å; Y81-F162 WeakPolarHBondContact OH-CZ 3.23Å |
| 82 | F | 98.6 | Very high | 97.5 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 15% | 0.154 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 169.7 | 158.5 | -85.6 | 0 | 0 | 0 | 110.6 | I78 L79 F80 A85 I86 A169 L172 H173 P176 | I78-F82 WeakPolarHBondContact O-CB 3.45Å; I78-F82 PolarHBondContact O-N 3.48Å; L79-F82 HydrophobicContact CD1-CD1 4.08Å; L79-F82 WeakPolarHBondContact O-CB 3.41Å; L79-F82 PolarHBondContact O-N 3.34Å; F80-F82 PolarHBondContact O-N 3.26Å; F82-A85 PolarHBondContact O-N 2.83Å; F82-I86 HydrophobicContact CD1-CD1 4.19Å; F82-I86 HydrophobicContact CE1-CD1 3.64Å; F82-I86 HydrophobicContact CE2-CD1 4.47Å; F82-I86 HydrophobicContact CZ-CD1 3.82Å; F82-I86 WeakPolarHBondContact O-CG1 3.29Å; F82-I86 PolarHBondContact O-N 3.38Å; F82-I86 VanDerWaalsContact O-N 3.08Å; F82-A169 HydrophobicContact CB-CB 4.36Å; F82-L172 HydrophobicContact CD2-CB 3.79Å; F82-L172 HydrophobicContact CE2-CB 4.29Å; F82-L172 WeakPolarHBondContact CE2-O 3.47Å; F82-H173 VanDerWaalsContact CD2-CA 3.46Å; F82-H173 HydrophobicContact CD2-CB 3.91Å; F82-H173 VanDerWaalsContact CD2-N 3.32Å; F82-H173 VanDerWaalsContact CE2-CA 3.45Å; F82-H173 HydrophobicContact CE2-CB 4.25Å; F82-P176 HydrophobicContact CE2-CG 3.86Å; F82-P176 HydrophobicContact CZ-CG 3.73Å |
| 83 | F | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 16% | 0.158 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 172.5 | -64.1 | -34.3 | 0 | 0 | 0 | 112 | V26 V30 L79 F80 A85 I86 I87 | V26-F83 HydrophobicContact CG1-CB 3.47Å; V26-F83 VanDerWaalsContact CG1-CB 3.47Å; V26-F83 HydrophobicContact CG1-CD1 3.78Å; V26-F83 HydrophobicContact CG1-CG 3.88Å; V26-F83 WeakPolarHBondContact CG1-O 3.48Å; V30-F83 HydrophobicContact CG2-CB 3.66Å; L79-F83 HydrophobicContact CD1-CE1 4.18Å; L79-F83 HydrophobicContact CD1-CE2 4.33Å; L79-F83 HydrophobicContact CD1-CZ 3.85Å; L79-F83 HydrophobicContact CG-CE2 4.09Å; L79-F83 HydrophobicContact CG-CZ 4.08Å; L79-F83 PolarHBondContact O-N 3.33Å; F80-F83 WeakPolarHBondContact O-CB 3.4Å; F80-F83 PolarHBondContact O-N 3.13Å; F80-F83 VanDerWaalsContact O-N 3.07Å; F83-A85 VanDerWaalsContact C-N 3.28Å; F83-A85 PolarHBondContact O-N 3.05Å; F83-I86 PolarHBondContact O-N 3.05Å; F83-I87 WeakPolarHBondContact O-CG1 3.32Å; F83-I87 PolarHBondContact O-N 2.83Å; F83-I87 VanDerWaalsContact O-N 3.15Å |
| 84 | I | 98.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 23% | 0.226 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.7 | -59.3 | -62.6 | 0 | 0 | 0 | 110.9 | V30 F80 Y81 I86 I87 L88 | V30-I84 HydrophobicContact CB-CD1 4.48Å; V30-I84 HydrophobicContact CG1-CD1 3.68Å; V30-I84 HydrophobicContact CG2-CD1 3.98Å; F80-I84 HydrophobicContact CD1-CG1 4.3Å; F80-I84 HydrophobicContact CE1-CD1 4.27Å; F80-I84 HydrophobicContact CE1-CG1 4Å; F80-I84 HydrophobicContact CZ-CD1 4.23Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 PolarHBondContact O-N 2.97Å; F80-I84 VanDerWaalsContact O-N 3.1Å; Y81-I84 HydrophobicContact CD1-CB 4.47Å; Y81-I84 HydrophobicContact CD1-CG1 4.39Å; Y81-I84 PolarHBondContact O-N 3.31Å; I84-I86 PolarHBondContact O-N 2.89Å; I84-I87 PolarHBondContact O-N 2.88Å; I84-L88 HydrophobicContact CG2-CD1 3.88Å; I84-L88 HydrophobicContact CG2-CG 4.14Å; I84-L88 WeakPolarHBondContact O-CB 3.36Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.01Å |
| 85 | A | 98.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y81 F82 F83 I87 L88 H89 H173 | Y81-A85 WeakPolarHBondContact O-CB 3.16Å; Y81-A85 PolarHBondContact O-N 3.18Å; F82-A85 PolarHBondContact O-N 2.83Å; F83-A85 VanDerWaalsContact C-N 3.28Å; F83-A85 PolarHBondContact O-N 3.05Å; A85-I87 PolarHBondContact O-N 2.97Å; A85-L88 PolarHBondContact O-N 3.12Å; A85-H89 VanDerWaalsContact O-CB 3.26Å; A85-H89 WeakPolarHBondContact O-CB 3.31Å; A85-H89 PolarHBondContact O-N 3.31Å; A85-H173 HydrophobicContact CB-CB 3.67Å |
| 86 | I | 98 | Very high | 97.1 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 173.3 | -67.5 | 170.3 | 0 | 0 | 0 | 110.9 | V26 F82 F83 I84 H89 A90 H173 P176 | V26-I86 HydrophobicContact CB-CG2 4.37Å; V26-I86 HydrophobicContact CG1-CB 4.29Å; V26-I86 HydrophobicContact CG1-CD1 4.5Å; V26-I86 HydrophobicContact CG1-CG2 4.4Å; V26-I86 HydrophobicContact CG2-CD1 4.29Å; V26-I86 HydrophobicContact CG2-CG2 4.21Å; F82-I86 HydrophobicContact CD1-CD1 4.19Å; F82-I86 HydrophobicContact CE1-CD1 3.64Å; F82-I86 HydrophobicContact CE2-CD1 4.47Å; F82-I86 HydrophobicContact CZ-CD1 3.82Å; F82-I86 WeakPolarHBondContact O-CG1 3.29Å; F82-I86 PolarHBondContact O-N 3.38Å; F82-I86 VanDerWaalsContact O-N 3.08Å; F83-I86 PolarHBondContact O-N 3.05Å; I84-I86 PolarHBondContact O-N 2.89Å; I86-H89 PolarHBondContact O-N 2.68Å; I86-A90 PolarHBondContact O-N 3.49Å; I86-A90 VanDerWaalsContact O-N 3.09Å; I86-H173 HydrophobicContact CG1-CB 4.22Å; I86-P176 HydrophobicContact CD1-CG 4.4Å |
| 87 | I | 97.5 | Very high | 97 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.138 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -48 | 179.8 | -62.8 | 158.1 | 0 | 0 | 0 | 110.4 | V26 F27 V30 F83 I84 A85 H89 A90 V91 | V26-I87 HydrophobicContact CG1-CD1 4.23Å; V26-I87 HydrophobicContact CG1-CG1 4.14Å; F27-I87 HydrophobicContact CB-CD1 4.08Å; F27-I87 HydrophobicContact CB-CG1 4.28Å; F27-I87 HydrophobicContact CD2-CD1 4.17Å; V30-I87 HydrophobicContact CB-CD1 4.3Å; V30-I87 HydrophobicContact CG2-CD1 3.77Å; F83-I87 WeakPolarHBondContact O-CG1 3.32Å; F83-I87 PolarHBondContact O-N 2.83Å; F83-I87 VanDerWaalsContact O-N 3.15Å; I84-I87 PolarHBondContact O-N 2.88Å; A85-I87 PolarHBondContact O-N 2.97Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.44Å; I87-A90 PolarHBondContact O-N 2.78Å; I87-V91 HydrophobicContact CG2-CG2 4.42Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 3.47Å |
| 88 | L | 97.7 | Very high | 96.8 | Very high | 101 Ų | 101 | 45.2 Ų | 45.2 | 53% | 0.529 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 179 | -72.6 | 176.7 | 0 | 0 | 0 | 111.8 | I84 A85 A90 V91 V92 | I84-L88 HydrophobicContact CG2-CD1 3.88Å; I84-L88 HydrophobicContact CG2-CG 4.14Å; I84-L88 WeakPolarHBondContact O-CB 3.36Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.01Å; A85-L88 PolarHBondContact O-N 3.12Å; L88-A90 PolarHBondContact O-N 3.09Å; L88-V91 PolarHBondContact O-N 3.09Å; L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.32Å; L88-V92 PolarHBondContact O-N 2.92Å |
| 89 | H | 97.6 | Very high | 96.4 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.065 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.9 | -178 | 108.2 | 0 | 0 | 0 | 111.5 | A85 I86 I87 V92 Q93 Q119 H173 E177 Q181 | A85-H89 VanDerWaalsContact O-CB 3.26Å; A85-H89 WeakPolarHBondContact O-CB 3.31Å; A85-H89 PolarHBondContact O-N 3.31Å; I86-H89 PolarHBondContact O-N 2.68Å; I87-H89 VanDerWaalsContact C-N 3.31Å; I87-H89 PolarHBondContact O-N 3.44Å; H89-V92 PolarHBondContact O-N 3Å; H89-Q93 WeakPolarHBondContact O-CB 3.15Å; H89-Q93 PolarHBondContact O-N 3.36Å; H89-Q119 PolarHBondContact O-NE2 3.44Å; H89-H173 AromaticContact CG-NE2 3.78Å; H89-H173 AromaticContact ND1-NE2 3.37Å; H89-H173 PolarHBondContact ND1-NE2 3.23Å; H89-E177 VanDerWaalsContact CD2-CD 3.47Å; H89-E177 IonicContact CD2-OE1 3.85Å; H89-E177 PolarHBondContact CD2-OE1 3.44Å; H89-E177 VanDerWaalsContact CD2-OE1 3.22Å; H89-E177 IonicContact CD2-OE2 3.24Å; H89-E177 IonicContact CE1-OE1 3.16Å; H89-E177 WeakPolarHBondContact NE2-CG 3.29Å; H89-E177 IonicContact NE2-OE1 3.92Å; H89-E177 PolarHBondContact NE2-OE1 3.36Å; H89-E177 IonicContact NE2-OE2 2.72Å; H89-Q181 PolarHBondContact CE1-NE2 3.13Å; H89-Q181 PolarHBondContact NE2-NE2 2.93Å |
| 90 | A | 96.2 | Very high | 96.1 | Very high | 18 Ų | 18 | 48 Ų | 48 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A23 I86 I87 L88 Q93 E94 | A23-A90 HydrophobicContact CB-CB 3.48Å; A23-A90 VanDerWaalsContact CB-CB 3.48Å; I86-A90 PolarHBondContact O-N 3.49Å; I86-A90 VanDerWaalsContact O-N 3.09Å; I87-A90 PolarHBondContact O-N 2.78Å; L88-A90 PolarHBondContact O-N 3.09Å; A90-Q93 WeakPolarHBondContact O-CB 3.33Å; A90-Q93 PolarHBondContact O-N 3.08Å; A90-E94 PolarHBondContact O-N 3.05Å |
| 91 | V | 96.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.2 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | I87 L88 Q93 E94 Y95 | I87-V91 HydrophobicContact CG2-CG2 4.42Å; I87-V91 WeakPolarHBondContact O-CG2 3.28Å; I87-V91 PolarHBondContact O-N 3.47Å; L88-V91 PolarHBondContact O-N 3.09Å; V91-Q93 VanDerWaalsContact C-N 3.28Å; V91-Q93 PolarHBondContact O-N 3.12Å; V91-E94 PolarHBondContact O-N 2.93Å; V91-Y95 HydrophobicContact CB-CD2 4.43Å; V91-Y95 HydrophobicContact CG1-CD2 3.93Å; V91-Y95 WeakPolarHBondContact O-CB 3.44Å; V91-Y95 WeakPolarHBondContact O-CD2 3.5Å; V91-Y95 PolarHBondContact O-N 3.04Å |
| 92 | V | 97.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 53.1 Ų | 53.1 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | L88 H89 L96 L97 Q119 V122 | L88-V92 VanDerWaalsContact O-CG2 3.32Å; L88-V92 WeakPolarHBondContact O-CG2 3.32Å; L88-V92 PolarHBondContact O-N 2.92Å; H89-V92 PolarHBondContact O-N 3Å; V92-L96 HydrophobicContact CG1-CD2 4.33Å; V92-L96 VanDerWaalsContact O-CB 3.28Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 PolarHBondContact O-N 3.15Å; V92-L96 VanDerWaalsContact O-N 3.12Å; V92-L97 HydrophobicContact CG1-CD1 4.26Å; V92-L97 HydrophobicContact CG1-CG 4.24Å; V92-L97 PolarHBondContact O-N 2.85Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.31Å; V92-V122 HydrophobicContact CG1-CB 4.34Å; V92-V122 HydrophobicContact CG1-CG1 4.46Å; V92-V122 HydrophobicContact CG1-CG2 4.01Å; V92-V122 HydrophobicContact CG2-CG1 4.13Å |
| 93 | Q | 95.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 61.5 Ų | 61.5 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -60.8 | -53.9 | 178.3 | -169.8 | 58.5 | 48.2 | 0 | 0 | 111.1 | H89 A90 V91 L97 D98 N115 Q119 | H89-Q93 WeakPolarHBondContact O-CB 3.15Å; H89-Q93 PolarHBondContact O-N 3.36Å; A90-Q93 WeakPolarHBondContact O-CB 3.33Å; A90-Q93 PolarHBondContact O-N 3.08Å; V91-Q93 VanDerWaalsContact C-N 3.28Å; V91-Q93 PolarHBondContact O-N 3.12Å; Q93-L97 PolarHBondContact O-N 2.82Å; Q93-D98 PolarHBondContact NE2-OD1 3.36Å; Q93-D98 WeakPolarHBondContact O-CB 3.26Å; Q93-D98 PolarHBondContact O-N 3.33Å; Q93-N115 VanDerWaalsContact NE2-CG 3.35Å; Q93-N115 PolarHBondContact NE2-ND2 3.3Å; Q93-N115 PolarHBondContact NE2-OD1 3.05Å; Q93-Q119 VanDerWaalsContact OE1-NE2 3.07Å |
| 94 | E | 93.7 | Very high | 94.1 | Very high | 109 Ų | 109 | 62.2 Ų | 62.2 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -73 | -47.5 | -173.2 | -177.9 | 176.1 | -177.4 | 0 | 0 | 112.7 | A90 V91 | A90-E94 PolarHBondContact O-N 3.05Å; V91-E94 PolarHBondContact O-N 2.93Å |
| 95 | Y | 93.8 | Very high | 93.6 | Very high | 131 Ų | 131 | 68 Ų | 68 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -90.6 | -20.7 | -168.8 | -69.4 | -78.8 | 0 | 0 | 0 | 114 | V91 K99 | V91-Y95 HydrophobicContact CB-CD2 4.43Å; V91-Y95 HydrophobicContact CG1-CD2 3.93Å; V91-Y95 WeakPolarHBondContact O-CB 3.44Å; V91-Y95 WeakPolarHBondContact O-CD2 3.5Å; V91-Y95 PolarHBondContact O-N 3.04Å; Y95-K99 WeakPolarHBondContact O-CD 3.47Å; Y95-K99 VanDerWaalsContact O-CE 3.23Å; Y95-K99 WeakPolarHBondContact O-CE 3.41Å; Y95-K99 PolarHBondContact O-NZ 3.43Å |
| 96 | L | 94.4 | Very high | 93 | Very high | 83 Ų | 83 | 68.9 Ų | 68.9 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -111.6 | -65.9 | 177.9 | -174.7 | 65.6 | 0 | 0 | 0 | 111.2 | V92 K99 V100 V122 | V92-L96 HydrophobicContact CG1-CD2 4.33Å; V92-L96 VanDerWaalsContact O-CB 3.28Å; V92-L96 WeakPolarHBondContact O-CB 3.39Å; V92-L96 PolarHBondContact O-N 3.15Å; V92-L96 VanDerWaalsContact O-N 3.12Å; L96-K99 PolarHBondContact O-N 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 2.96Å; L96-V100 PolarHBondContact O-N 3.02Å; L96-V100 VanDerWaalsContact O-N 3.13Å; L96-V122 HydrophobicContact CD2-CG2 3.71Å |
| 97 | L | 94.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -69.8 | -45.3 | -166.9 | -58.6 | -179.4 | 0 | 0 | 0 | 112.6 | V92 Q93 K99 V100 N101 F114 Q119 | V92-L97 HydrophobicContact CG1-CD1 4.26Å; V92-L97 HydrophobicContact CG1-CG 4.24Å; V92-L97 PolarHBondContact O-N 2.85Å; Q93-L97 PolarHBondContact O-N 2.82Å; L97-K99 VanDerWaalsContact C-N 3.27Å; L97-K99 PolarHBondContact O-N 2.95Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-V100 VanDerWaalsContact O-N 3.14Å; L97-N101 WeakPolarHBondContact O-CB 3.34Å; L97-N101 PolarHBondContact O-N 2.86Å; L97-N101 PolarHBondContact O-ND2 2.89Å; L97-F114 HydrophobicContact CD2-CE1 4.36Å; L97-Q119 HydrophobicContact CD1-CG 3.64Å |
| 98 | D | 92.3 | Very high | 92 | Very high | 54 Ų | 54 | 79.7 Ų | 79.7 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -32.9 | 178.1 | -81.1 | 6.8 | 0 | 0 | 0 | 112.1 | Q93 R102 | Q93-D98 PolarHBondContact NE2-OD1 3.36Å; Q93-D98 WeakPolarHBondContact O-CB 3.26Å; Q93-D98 PolarHBondContact O-N 3.33Å; D98-R102 WeakPolarHBondContact O-CB 3.4Å; D98-R102 VanDerWaalsContact O-CG 3.3Å; D98-R102 WeakPolarHBondContact O-CG 3.49Å; D98-R102 PolarHBondContact O-N 3.34Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.74Å |
| 99 | K | 91.3 | Very high | 91.5 | Very high | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 173 | -69.5 | -168.4 | -167.6 | 158.5 | 0 | 111.6 | Y95 L96 L97 | Y95-K99 WeakPolarHBondContact O-CD 3.47Å; Y95-K99 VanDerWaalsContact O-CE 3.23Å; Y95-K99 WeakPolarHBondContact O-CE 3.41Å; Y95-K99 PolarHBondContact O-NZ 3.43Å; L96-K99 PolarHBondContact O-N 3.34Å; L97-K99 VanDerWaalsContact C-N 3.27Å; L97-K99 PolarHBondContact O-N 2.95Å |
| 100 | V | 91 | Very high | 91.1 | Very high | 52 Ų | 52 | 80.4 Ų | 80.4 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | L96 L97 R102 R103 L104 F114 | L96-V100 WeakPolarHBondContact O-CG2 2.96Å; L96-V100 PolarHBondContact O-N 3.02Å; L96-V100 VanDerWaalsContact O-N 3.13Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-V100 VanDerWaalsContact O-N 3.14Å; V100-R102 VanDerWaalsContact C-N 3.29Å; V100-R102 PolarHBondContact O-N 3.25Å; V100-R103 WeakPolarHBondContact O-CA 3.19Å; V100-R103 WeakPolarHBondContact O-CB 3.5Å; V100-R103 PolarHBondContact O-N 2.94Å; V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4.07Å; V100-L104 PolarHBondContact O-N 2.83Å; V100-F114 HydrophobicContact CB-CE1 4.36Å; V100-F114 HydrophobicContact CB-CZ 4.36Å; V100-F114 HydrophobicContact CG1-CE1 4.02Å; V100-F114 HydrophobicContact CG1-CZ 3.58Å |
| 101 | N | 89.6 | Confident | 90.9 | Very high | 11 Ų | 11 | 81.6 Ų | 81.6 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.2 | -39.1 | 177.4 | -79.5 | -31.4 | 0 | 0 | 0 | 113.3 | L97 R103 L104 H105 N111 F114 N115 | L97-N101 WeakPolarHBondContact O-CB 3.34Å; L97-N101 PolarHBondContact O-N 2.86Å; L97-N101 PolarHBondContact O-ND2 2.89Å; N101-R103 PolarHBondContact O-N 3.27Å; N101-L104 PolarHBondContact O-N 3.27Å; N101-H105 PolarHBondContact O-N 3.18Å; N101-N111 PolarHBondContact ND2-OD1 3.33Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.34Å; N101-N115 PolarHBondContact ND2-OD1 3.33Å |
| 102 | R | 88.6 | Confident | 90.6 | Very high | 150 Ų | 150 | 81.5 Ų | 81.5 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.9 | -25.1 | 175.3 | -79.5 | -175.1 | -73.8 | -109.3 | 2.2 | 112.8 | D98 V100 | D98-R102 WeakPolarHBondContact O-CB 3.4Å; D98-R102 VanDerWaalsContact O-CG 3.3Å; D98-R102 WeakPolarHBondContact O-CG 3.49Å; D98-R102 PolarHBondContact O-N 3.34Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.74Å; V100-R102 VanDerWaalsContact C-N 3.29Å; V100-R102 PolarHBondContact O-N 3.25Å |
| 103 | R | 88.6 | Confident | 90.4 | Very high | 211 Ų | 211 | 84 Ų | 84 | 80% | 0.796 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -89.3 | -35.6 | 177.8 | -62.2 | -177.1 | -179.8 | -161.5 | -0.2 | 113.2 | V100 N101 H105 | V100-R103 WeakPolarHBondContact O-CA 3.19Å; V100-R103 WeakPolarHBondContact O-CB 3.5Å; V100-R103 PolarHBondContact O-N 2.94Å; N101-R103 PolarHBondContact O-N 3.27Å; R103-H105 PolarHBondContact O-CD2 3.07Å |
| 104 | L | 85.6 | Confident | 90.3 | Very high | 50 Ų | 50 | 82.9 Ų | 82.9 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -84.6 | -11.1 | -172.8 | -66.7 | 179 | 0 | 0 | 0 | 114.7 | V100 N101 L106 F114 T237 | V100-L104 HydrophobicContact CG1-CD1 3.6Å; V100-L104 HydrophobicContact CG1-CG 4.07Å; V100-L104 PolarHBondContact O-N 2.83Å; N101-L104 PolarHBondContact O-N 3.27Å; L104-L106 HydrophobicContact CB-CD1 4.28Å; L104-L106 HydrophobicContact CB-CD2 4.14Å; L104-L106 HydrophobicContact CB-CG 3.8Å; L104-L106 HydrophobicContact CD1-CD1 4.35Å; L104-L106 PolarHBondContact O-N 2.82Å; L104-F114 HydrophobicContact CD1-CD2 4.43Å; L104-F114 HydrophobicContact CD1-CE2 3.73Å; L104-F114 HydrophobicContact CD1-CZ 3.97Å; L104-T237 HydrophobicContact CD2-CG2 3.96Å |
| 105 | H | 86.6 | Confident | 90.4 | Very high | 165 Ų | 165 | 79 Ų | 79 | 76% | 0.764 | 37% | 0.372 | S | S | * | . | trans | 46.7 | 39.6 | 177.8 | -63.1 | -67.9 | 0 | 0 | 0 | 114.5 | N101 R103 | N101-H105 PolarHBondContact O-N 3.18Å; R103-H105 PolarHBondContact O-CD2 3.07Å | ||
| 106 | L | 86.9 | Confident | 90.4 | Very high | 30 Ų | 30 | 74.3 Ų | 74.3 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | trans | -68.3 | 149.6 | -177.2 | -59.9 | 177.3 | 0 | 0 | 0 | 112.1 | L104 K110 N111 F114 F236 | L104-L106 HydrophobicContact CB-CD1 4.28Å; L104-L106 HydrophobicContact CB-CD2 4.14Å; L104-L106 HydrophobicContact CB-CG 3.8Å; L104-L106 HydrophobicContact CD1-CD1 4.35Å; L104-L106 PolarHBondContact O-N 2.82Å; L106-K110 HydrophobicContact CB-CB 4.12Å; L106-N111 HydrophobicContact CB-CB 4.25Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.78Å; L106-F114 HydrophobicContact CD1-CG 3.88Å; L106-F236 HydrophobicContact CD1-CB 4.44Å; L106-F236 WeakPolarHBondContact CD2-O 3.21Å | ||
| 107 | S | 88.3 | Confident | 90.5 | Very high | 67 Ų | 67 | 70.3 Ų | 70.3 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | trans | -59.9 | 155.2 | 170.1 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | S109 K110 N111 | S107-S109 PolarHBondContact O-N 3.22Å; S107-S109 VanDerWaalsContact O-N 3.15Å; S107-K110 PolarHBondContact O-N 3.31Å; S107-K110 PolarHBondContact OG-N 2.87Å; S107-N111 WeakPolarHBondContact O-CB 3.32Å; S107-N111 PolarHBondContact O-N 3.21Å | ||
| 108 | K | 86.8 | Confident | 90.7 | Very high | 190 Ų | 190 | 70.1 Ų | 70.1 | 83% | 0.826 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -51.6 | -43 | -178.3 | -171.5 | 177.2 | -179.2 | -179.2 | 0 | 112.9 | N111 T112 | K108-N111 PolarHBondContact O-N 3.02Å; K108-T112 PolarHBondContact O-N 3.43Å; K108-T112 VanDerWaalsContact O-N 3.13Å; K108-T112 PolarHBondContact O-OG1 2.69Å |
| 109 | S | 86.6 | Confident | 90.9 | Very high | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 178.5 | -177.2 | 0 | 0 | 0 | 0 | 113.1 | S107 K113 | S107-S109 PolarHBondContact O-N 3.22Å; S107-S109 VanDerWaalsContact O-N 3.15Å; S109-K113 WeakPolarHBondContact O-CG 3.41Å; S109-K113 PolarHBondContact O-N 3.34Å |
| 110 | K | 89.2 | Confident | 91.2 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -40 | 175.1 | -77 | -171.7 | 174.5 | -171.9 | 0 | 110.8 | L106 S107 K113 F114 F236 E239 | L106-K110 HydrophobicContact CB-CB 4.12Å; S107-K110 PolarHBondContact O-N 3.31Å; S107-K110 PolarHBondContact OG-N 2.87Å; K110-K113 PolarHBondContact O-N 2.91Å; K110-F114 WeakPolarHBondContact O-CB 3.46Å; K110-F114 PolarHBondContact O-N 3.33Å; K110-F236 HydrophobicContact CD-CD1 4.46Å; K110-F236 HydrophobicContact CG-CD1 4.47Å; K110-F236 HydrophobicContact CG-CE1 4.38Å; K110-E239 IonicContact NZ-OE1 3.81Å; K110-E239 PolarHBondContact NZ-OE1 3.21Å |
| 111 | N | 91.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 62 Ų | 62 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 179.7 | -170.2 | -46.2 | 0 | 0 | 0 | 112.3 | N101 L106 S107 K108 K113 F114 N115 | N101-N111 PolarHBondContact ND2-OD1 3.33Å; L106-N111 HydrophobicContact CB-CB 4.25Å; S107-N111 WeakPolarHBondContact O-CB 3.32Å; S107-N111 PolarHBondContact O-N 3.21Å; K108-N111 PolarHBondContact O-N 3.02Å; N111-K113 VanDerWaalsContact C-N 3.29Å; N111-K113 PolarHBondContact O-N 3.39Å; N111-F114 WeakPolarHBondContact O-CB 3.47Å; N111-F114 PolarHBondContact O-N 2.67Å; N111-F114 VanDerWaalsContact O-N 3.1Å; N111-N115 PolarHBondContact O-N 3.36Å; N111-N115 PolarHBondContact OD1-ND2 3.25Å; N111-N115 VanDerWaalsContact OD1-ND2 3.15Å |
| 112 | T | 90.8 | Very high | 92 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.3 | -44.1 | 174.9 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | K108 N115 E116 | K108-T112 PolarHBondContact O-N 3.43Å; K108-T112 VanDerWaalsContact O-N 3.13Å; K108-T112 PolarHBondContact O-OG1 2.69Å; T112-N115 PolarHBondContact O-N 3.46Å; T112-E116 PolarHBondContact O-N 2.99Å |
| 113 | K | 92.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 178 | -72.3 | 179.1 | 177.7 | 178.9 | 0 | 113 | S109 K110 N111 S117 R232 F236 | S109-K113 WeakPolarHBondContact O-CG 3.41Å; S109-K113 PolarHBondContact O-N 3.34Å; K110-K113 PolarHBondContact O-N 2.91Å; N111-K113 VanDerWaalsContact C-N 3.29Å; N111-K113 PolarHBondContact O-N 3.39Å; K113-S117 WeakPolarHBondContact O-CB 3.49Å; K113-S117 PolarHBondContact O-N 3.01Å; K113-S117 VanDerWaalsContact O-N 3.07Å; K113-R232 VanDerWaalsContact CB-NH2 3.3Å; K113-R232 VanDerWaalsContact CG-NH2 3.26Å; K113-F236 HydrophobicContact CB-CE2 3.89Å; K113-F236 HydrophobicContact CB-CZ 3.81Å; K113-F236 HydrophobicContact CD-CZ 4.45Å |
| 114 | F | 94.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 174.5 | -176.3 | -82.2 | 0 | 0 | 0 | 110.2 | L97 V100 N101 L104 L106 K110 N111 S117 G118 L233 F236 | L97-F114 HydrophobicContact CD2-CE1 4.36Å; V100-F114 HydrophobicContact CB-CE1 4.36Å; V100-F114 HydrophobicContact CB-CZ 4.36Å; V100-F114 HydrophobicContact CG1-CE1 4.02Å; V100-F114 HydrophobicContact CG1-CZ 3.58Å; N101-F114 WeakPolarHBondContact OD1-CD1 3.34Å; L104-F114 HydrophobicContact CD1-CD2 4.43Å; L104-F114 HydrophobicContact CD1-CE2 3.73Å; L104-F114 HydrophobicContact CD1-CZ 3.97Å; L106-F114 HydrophobicContact CD1-CB 3.88Å; L106-F114 HydrophobicContact CD1-CD2 3.78Å; L106-F114 HydrophobicContact CD1-CG 3.88Å; K110-F114 WeakPolarHBondContact O-CB 3.46Å; K110-F114 PolarHBondContact O-N 3.33Å; N111-F114 WeakPolarHBondContact O-CB 3.47Å; N111-F114 PolarHBondContact O-N 2.67Å; N111-F114 VanDerWaalsContact O-N 3.1Å; F114-S117 PolarHBondContact O-N 2.89Å; F114-G118 WeakPolarHBondContact O-CA 3.47Å; F114-G118 PolarHBondContact O-N 2.89Å; F114-L233 HydrophobicContact CD1-CD2 4.21Å; F114-L233 HydrophobicContact CD2-CD2 3.61Å; F114-L233 HydrophobicContact CE1-CD2 4.1Å; F114-L233 HydrophobicContact CE2-CB 4.44Å; F114-L233 HydrophobicContact CE2-CD2 3.49Å; F114-L233 VanDerWaalsContact CE2-CD2 3.49Å; F114-L233 HydrophobicContact CG-CD2 3.96Å; F114-L233 HydrophobicContact CZ-CD2 3.73Å; F114-F236 HydrophobicContact CB-CD2 3.98Å; F114-F236 HydrophobicContact CB-CE2 4.4Å; F114-F236 HydrophobicContact CD2-CB 3.92Å; F114-F236 AromaticContact CD2-CD2 3.9Å; F114-F236 HydrophobicContact CD2-CD2 3.9Å; F114-F236 HydrophobicContact CD2-CG 4.39Å; F114-F236 HydrophobicContact CG-CD2 4.43Å |
| 115 | N | 94.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.9 | -72.5 | -18.8 | 0 | 0 | 0 | 112.5 | Q93 N101 N111 T112 S117 G118 Q119 | Q93-N115 VanDerWaalsContact NE2-CG 3.35Å; Q93-N115 PolarHBondContact NE2-ND2 3.3Å; Q93-N115 PolarHBondContact NE2-OD1 3.05Å; N101-N115 PolarHBondContact ND2-OD1 3.33Å; N111-N115 PolarHBondContact O-N 3.36Å; N111-N115 PolarHBondContact OD1-ND2 3.25Å; N111-N115 VanDerWaalsContact OD1-ND2 3.15Å; T112-N115 PolarHBondContact O-N 3.46Å; N115-S117 VanDerWaalsContact C-N 3.32Å; N115-S117 PolarHBondContact O-N 3.26Å; N115-G118 PolarHBondContact O-N 3.39Å; N115-G118 VanDerWaalsContact O-N 3.12Å; N115-Q119 WeakPolarHBondContact O-CG 3.42Å; N115-Q119 PolarHBondContact O-N 3.15Å |
| 116 | E | 94.8 | Very high | 94.1 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -50 | 174.8 | -177.8 | -167.9 | -166 | 0 | 0 | 110.6 | T112 G118 L120 R190 R232 | T112-E116 PolarHBondContact O-N 2.99Å; E116-G118 VanDerWaalsContact C-N 3.34Å; E116-G118 PolarHBondContact O-N 3.46Å; E116-L120 HydrophobicContact CG-CD1 4.24Å; E116-L120 WeakPolarHBondContact O-CG 3.29Å; E116-L120 PolarHBondContact O-N 3.3Å; E116-R190 IonicContact OE1-CZ 2.75Å; E116-R190 IonicContact OE1-NH1 3.7Å; E116-R190 IonicContact OE1-NH2 3.26Å; E116-R190 PolarHBondContact OE1-NH2 3.38Å; E116-R190 IonicContact OE2-NH2 2.61Å; E116-R232 IonicContact OE2-NH1 3.79Å; E116-R232 IonicContact OE2-NH2 3.47Å |
| 117 | S | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -31.9 | 177.8 | -83.8 | 0 | 0 | 0 | 0 | 113.9 | K113 F114 N115 G121 H229 R232 | K113-S117 WeakPolarHBondContact O-CB 3.49Å; K113-S117 PolarHBondContact O-N 3.01Å; K113-S117 VanDerWaalsContact O-N 3.07Å; F114-S117 PolarHBondContact O-N 2.89Å; N115-S117 VanDerWaalsContact C-N 3.32Å; N115-S117 PolarHBondContact O-N 3.26Å; S117-G121 WeakPolarHBondContact O-CA 3.43Å; S117-G121 PolarHBondContact O-N 3.18Å; S117-H229 VanDerWaalsContact CA-ND1 3.34Å; S117-H229 WeakPolarHBondContact CA-ND1 3.5Å; S117-H229 WeakPolarHBondContact CB-ND1 3.49Å; S117-H229 PolarHBondContact OG-ND1 2.74Å; S117-H229 VanDerWaalsContact OG-ND1 3.08Å; S117-R232 VanDerWaalsContact OG-CD 3.25Å; S117-R232 WeakPolarHBondContact OG-CD 3.33Å; S117-R232 PolarHBondContact OG-NH1 2.7Å |
| 118 | G | 97.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.3 | -48.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F114 N115 E116 G121 V122 | F114-G118 WeakPolarHBondContact O-CA 3.47Å; F114-G118 PolarHBondContact O-N 2.89Å; N115-G118 PolarHBondContact O-N 3.39Å; N115-G118 VanDerWaalsContact O-N 3.12Å; E116-G118 VanDerWaalsContact C-N 3.34Å; E116-G118 PolarHBondContact O-N 3.46Å; G118-G121 PolarHBondContact O-N 3.33Å; G118-V122 WeakPolarHBondContact O-CG2 3.18Å; G118-V122 PolarHBondContact O-N 3.29Å |
| 119 | Q | 97.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -53.4 | 177.1 | -70.1 | -67 | -0.5 | 0 | 0 | 111.1 | H89 V92 Q93 L97 N115 G121 V122 F123 | H89-Q119 PolarHBondContact O-NE2 3.44Å; V92-Q119 VanDerWaalsContact CG1-OE1 3.31Å; Q93-Q119 VanDerWaalsContact OE1-NE2 3.07Å; L97-Q119 HydrophobicContact CD1-CG 3.64Å; N115-Q119 WeakPolarHBondContact O-CG 3.42Å; N115-Q119 PolarHBondContact O-N 3.15Å; Q119-G121 VanDerWaalsContact C-N 3.29Å; Q119-G121 PolarHBondContact O-N 3.39Å; Q119-V122 PolarHBondContact O-N 3.49Å; Q119-F123 PolarHBondContact O-N 2.91Å |
| 120 | L | 97.7 | Very high | 96.3 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 13% | 0.131 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -35.6 | 178.7 | -70.1 | 170.9 | 0 | 0 | 0 | 112.2 | E116 F123 H124 W171 H229 | E116-L120 HydrophobicContact CG-CD1 4.24Å; E116-L120 WeakPolarHBondContact O-CG 3.29Å; E116-L120 PolarHBondContact O-N 3.3Å; L120-F123 PolarHBondContact O-N 3.31Å; L120-H124 VanDerWaalsContact O-CB 3.31Å; L120-H124 WeakPolarHBondContact O-CB 3.39Å; L120-H124 PolarHBondContact O-CD2 2.76Å; L120-H124 PolarHBondContact O-N 3.41Å; L120-W171 HydrophobicContact CD2-CH2 4.13Å; L120-H229 WeakPolarHBondContact CB-NE2 3.2Å; L120-H229 VanDerWaalsContact CD1-CE1 3.49Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.43Å |
| 121 | G | 98.2 | Very high | 96.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S117 G118 Q119 L125 L226 | S117-G121 WeakPolarHBondContact O-CA 3.43Å; S117-G121 PolarHBondContact O-N 3.18Å; G118-G121 PolarHBondContact O-N 3.33Å; Q119-G121 VanDerWaalsContact C-N 3.29Å; Q119-G121 PolarHBondContact O-N 3.39Å; G121-L125 VanDerWaalsContact O-CB 3.3Å; G121-L125 WeakPolarHBondContact O-CB 3.49Å; G121-L125 PolarHBondContact O-N 2.94Å; G121-L226 WeakPolarHBondContact O-CD1 3.45Å |
| 122 | V | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.7 | -47.9 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | V92 L96 G118 Q119 L125 V126 | V92-V122 HydrophobicContact CG1-CB 4.34Å; V92-V122 HydrophobicContact CG1-CG1 4.46Å; V92-V122 HydrophobicContact CG1-CG2 4.01Å; V92-V122 HydrophobicContact CG2-CG1 4.13Å; L96-V122 HydrophobicContact CD2-CG2 3.71Å; G118-V122 WeakPolarHBondContact O-CG2 3.18Å; G118-V122 PolarHBondContact O-N 3.29Å; Q119-V122 PolarHBondContact O-N 3.49Å; V122-L125 PolarHBondContact O-N 3.36Å; V122-V126 WeakPolarHBondContact O-CG2 3.44Å; V122-V126 PolarHBondContact O-N 3.07Å |
| 123 | F | 98.4 | Very high | 97.3 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 179.3 | 170 | -106.7 | 0 | 0 | 0 | 112.8 | Q119 L120 L125 V126 S127 Y170 W171 Y222 | Q119-F123 PolarHBondContact O-N 2.91Å; L120-F123 PolarHBondContact O-N 3.31Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.18Å; F123-V126 PolarHBondContact O-N 3.47Å; F123-S127 WeakPolarHBondContact CE2-OG 3.26Å; F123-S127 WeakPolarHBondContact CZ-OG 3.29Å; F123-S127 VanDerWaalsContact O-CB 3.25Å; F123-S127 WeakPolarHBondContact O-CB 3.19Å; F123-S127 PolarHBondContact O-N 3.12Å; F123-S127 PolarHBondContact O-OG 3.24Å; F123-Y170 HydrophobicContact CB-CE1 4.14Å; F123-Y170 HydrophobicContact CB-CE2 3.7Å; F123-Y170 VanDerWaalsContact CB-CZ 3.43Å; F123-Y170 VanDerWaalsContact CB-OH 3.23Å; F123-Y170 WeakPolarHBondContact CB-OH 3.3Å; F123-Y170 AromaticContact CD1-CD1 3.87Å; F123-Y170 HydrophobicContact CD1-CD1 3.87Å; F123-Y170 AromaticContact CD1-CE1 3.34Å; F123-Y170 HydrophobicContact CD1-CE1 3.34Å; F123-Y170 HydrophobicContact CD1-CE2 4.32Å; F123-Y170 AromaticContact CD1-CZ 3.59Å; F123-Y170 AromaticContact CD2-CD1 3.65Å; F123-Y170 HydrophobicContact CD2-CD1 3.65Å; F123-Y170 AromaticContact CD2-CD2 3.3Å; F123-Y170 HydrophobicContact CD2-CD2 3.3Å; F123-Y170 AromaticContact CD2-CE1 3.63Å; F123-Y170 HydrophobicContact CD2-CE1 3.63Å; F123-Y170 AromaticContact CD2-CE2 3.26Å; F123-Y170 HydrophobicContact CD2-CE2 3.26Å; F123-Y170 AromaticContact CD2-CG 3.48Å; F123-Y170 HydrophobicContact CD2-CG 3.48Å; F123-Y170 VanDerWaalsContact CD2-CG 3.48Å; F123-Y170 AromaticContact CD2-CZ 3.44Å; F123-Y170 VanDerWaalsContact CD2-CZ 3.44Å; F123-Y170 AromaticContact CE1-CD1 3.56Å; F123-Y170 HydrophobicContact CE1-CD1 3.56Å; F123-Y170 AromaticContact CE1-CE1 3.49Å; F123-Y170 HydrophobicContact CE1-CE1 3.49Å; F123-Y170 VanDerWaalsContact CE1-CE1 3.49Å; F123-Y170 HydrophobicContact CE1-CG 4.3Å; F123-Y170 AromaticContact CE2-CD1 3.32Å; F123-Y170 HydrophobicContact CE2-CD1 3.32Å; F123-Y170 AromaticContact CE2-CD2 3.51Å; F123-Y170 HydrophobicContact CE2-CD2 3.51Å; F123-Y170 AromaticContact CE2-CE1 3.77Å; F123-Y170 HydrophobicContact CE2-CE1 3.77Å; F123-Y170 AromaticContact CE2-CE2 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 3.92Å; F123-Y170 AromaticContact CE2-CG 3.17Å; F123-Y170 HydrophobicContact CE2-CG 3.17Å; F123-Y170 AromaticContact CG-CD1 3.9Å; F123-Y170 HydrophobicContact CG-CD1 3.9Å; F123-Y170 AromaticContact CG-CD2 3.99Å; F123-Y170 HydrophobicContact CG-CD2 3.99Å; F123-Y170 AromaticContact CG-CE1 3.4Å; F123-Y170 HydrophobicContact CG-CE1 3.4Å; F123-Y170 VanDerWaalsContact CG-CE1 3.4Å; 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 4.17Å; F123-Y170 AromaticContact CG-CZ 3.16Å; F123-Y170 WeakPolarHBondContact CG-OH 3.46Å; F123-Y170 AromaticContact CZ-CD1 3.25Å; F123-Y170 HydrophobicContact CZ-CD1 3.25Å; F123-Y170 HydrophobicContact CZ-CD2 4.32Å; F123-Y170 AromaticContact CZ-CE1 3.68Å; F123-Y170 HydrophobicContact CZ-CE1 3.68Å; F123-Y170 AromaticContact CZ-CG 3.62Å; F123-Y170 HydrophobicContact CZ-CG 3.62Å; F123-W171 AromaticContact CE1-CE2 4Å; F123-W171 AromaticContact CE1-CZ2 3.84Å; F123-W171 HydrophobicContact CE1-CZ2 3.84Å; F123-W171 AromaticContact CE1-NE1 3.9Å; F123-W171 AromaticContact CZ-NE1 3.96Å; F123-Y222 HydrophobicContact CE1-CE1 4.04Å; F123-Y222 AromaticContact CE1-CZ 3.93Å |
| 124 | H | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 179.6 | -72.6 | -53.1 | 0 | 0 | 0 | 111.9 | L120 S128 Y222 L226 H229 | L120-H124 VanDerWaalsContact O-CB 3.31Å; L120-H124 WeakPolarHBondContact O-CB 3.39Å; L120-H124 PolarHBondContact O-CD2 2.76Å; L120-H124 PolarHBondContact O-N 3.41Å; H124-S128 WeakPolarHBondContact O-CB 3.44Å; H124-S128 PolarHBondContact O-N 2.74Å; H124-S128 PolarHBondContact O-OG 2.92Å; H124-Y222 AromaticContact CE1-CD1 3.43Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.43Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.35Å; H124-Y222 AromaticContact CE1-CE1 3.73Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.41Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.65Å; H124-L226 HydrophobicContact CB-CB 3.97Å; H124-L226 HydrophobicContact CB-CD1 4.44Å; H124-H229 AromaticContact CD2-CD2 3.75Å |
| 125 | L | 98.6 | Very high | 97.6 | Very high | 90 Ų | 90 | 35 Ų | 35 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.4 | -56 | 173 | 177.6 | 63.3 | 0 | 0 | 0 | 111 | G121 V122 F123 S127 S128 V129 L226 | G121-L125 VanDerWaalsContact O-CB 3.3Å; G121-L125 WeakPolarHBondContact O-CB 3.49Å; G121-L125 PolarHBondContact O-N 2.94Å; V122-L125 PolarHBondContact O-N 3.36Å; F123-L125 VanDerWaalsContact C-N 3.3Å; F123-L125 PolarHBondContact O-N 3.18Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.3Å; L125-S128 PolarHBondContact O-N 3.45Å; L125-V129 HydrophobicContact CD1-CG2 4.38Å; L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.47Å; L125-L226 HydrophobicContact CB-CD1 3.83Å; L125-L226 HydrophobicContact CB-CD2 4.3Å; L125-L226 HydrophobicContact CD1-CD2 3.93Å |
| 126 | V | 98.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 38.5 Ų | 38.5 | 52% | 0.521 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60 | -45.8 | -178.8 | 174.4 | 0 | 0 | 0 | 0 | 110.6 | V122 F123 S128 V129 W130 | V122-V126 WeakPolarHBondContact O-CG2 3.44Å; V122-V126 PolarHBondContact O-N 3.07Å; F123-V126 PolarHBondContact O-N 3.47Å; V126-S128 PolarHBondContact O-N 3.34Å; V126-V129 PolarHBondContact O-N 3.35Å; V126-W130 WeakPolarHBondContact O-CB 3.32Å; V126-W130 PolarHBondContact O-N 3.07Å |
| 127 | S | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.3 | -33.9 | -178.6 | -58.4 | 0 | 0 | 0 | 0 | 113 | F123 L125 S131 Q167 | F123-S127 WeakPolarHBondContact CE2-OG 3.26Å; F123-S127 WeakPolarHBondContact CZ-OG 3.29Å; F123-S127 VanDerWaalsContact O-CB 3.25Å; F123-S127 WeakPolarHBondContact O-CB 3.19Å; F123-S127 PolarHBondContact O-N 3.12Å; F123-S127 PolarHBondContact O-OG 3.24Å; L125-S127 VanDerWaalsContact C-N 3.33Å; L125-S127 PolarHBondContact O-N 3.3Å; S127-S131 WeakPolarHBondContact O-CB 3.5Å; S127-S131 PolarHBondContact O-N 2.94Å; S127-S131 PolarHBondContact O-OG 3.25Å; S127-Q167 PolarHBondContact OG-OE1 3.39Å |
| 128 | S | 98.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.3 | H124 L125 V126 S131 F132 Y222 V223 | H124-S128 WeakPolarHBondContact O-CB 3.44Å; H124-S128 PolarHBondContact O-N 2.74Å; H124-S128 PolarHBondContact O-OG 2.92Å; L125-S128 PolarHBondContact O-N 3.45Å; V126-S128 PolarHBondContact O-N 3.34Å; S128-S131 PolarHBondContact O-OG 2.93Å; S128-F132 WeakPolarHBondContact O-CB 3.44Å; S128-F132 PolarHBondContact O-N 3.1Å; S128-Y222 VanDerWaalsContact OG-C 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.28Å; S128-V223 PolarHBondContact OG-N 2.86Å |
| 129 | V | 98.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 42.5 Ų | 42.5 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63 | -44.7 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L125 V126 F132 Y133 | L125-V129 HydrophobicContact CD1-CG2 4.38Å; L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.47Å; V126-V129 PolarHBondContact O-N 3.35Å; V129-F132 PolarHBondContact O-N 3.08Å; V129-Y133 WeakPolarHBondContact O-CB 3.42Å; V129-Y133 PolarHBondContact O-N 2.89Å |
| 130 | W | 98.4 | Very high | 96.3 | Very high | 61 Ų | 61 | 43 Ų | 43 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.3 | -47.7 | 179.8 | -173.3 | 7.4 | 0 | 0 | 0 | 112.1 | V126 F132 Y133 I134 F162 F163 T166 | V126-W130 WeakPolarHBondContact O-CB 3.32Å; V126-W130 PolarHBondContact O-N 3.07Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 3.32Å; W130-Y133 WeakPolarHBondContact O-CB 3.36Å; W130-Y133 PolarHBondContact O-N 3.21Å; W130-I134 WeakPolarHBondContact O-CG1 3.48Å; W130-I134 PolarHBondContact O-N 3.21Å; W130-F162 AromaticContact CH2-CD1 3.6Å; W130-F162 HydrophobicContact CH2-CD1 3.6Å; W130-F162 AromaticContact CH2-CE1 3.68Å; W130-F162 HydrophobicContact CH2-CE1 3.68Å; W130-F162 HydrophobicContact CH2-CG 4.38Å; W130-F162 AromaticContact CZ2-CD1 3.55Å; W130-F162 HydrophobicContact CZ2-CD1 3.55Å; W130-F162 HydrophobicContact CZ2-CE1 4.02Å; W130-F162 HydrophobicContact CZ2-CG 4.39Å; W130-F163 HydrophobicContact CB-CD2 4.5Å; W130-F163 AromaticContact CD2-CD2 3.72Å; W130-F163 HydrophobicContact CD2-CD2 3.72Å; W130-F163 HydrophobicContact CD2-CE2 4.46Å; W130-F163 AromaticContact CE3-CD2 3.94Å; W130-F163 HydrophobicContact CE3-CD2 3.94Å; W130-F163 AromaticContact CG-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 3.99Å; W130-F163 HydrophobicContact CG-CE2 4.48Å; W130-F163 HydrophobicContact CH2-CB 4.49Å; W130-F163 HydrophobicContact CZ2-CB 4.06Å; W130-F163 HydrophobicContact CZ2-CD2 4.49Å; W130-F163 HydrophobicContact CZ3-CD2 4.43Å; W130-T166 HydrophobicContact CH2-CG2 4.38Å; W130-T166 HydrophobicContact CZ3-CG2 3.95Å |
| 131 | S | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 112 | S127 S128 Y133 I134 L135 F219 | S127-S131 WeakPolarHBondContact O-CB 3.5Å; S127-S131 PolarHBondContact O-N 2.94Å; S127-S131 PolarHBondContact O-OG 3.25Å; S128-S131 PolarHBondContact O-OG 2.93Å; S131-Y133 VanDerWaalsContact C-N 3.35Å; S131-Y133 PolarHBondContact O-N 2.85Å; S131-I134 PolarHBondContact O-N 3.41Å; S131-L135 WeakPolarHBondContact O-CB 3.4Å; S131-L135 WeakPolarHBondContact O-CG 3.47Å; S131-L135 PolarHBondContact O-N 3.05Å; S131-F219 WeakPolarHBondContact OG-CD2 3.3Å |
| 132 | F | 97.8 | Very high | 94.7 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.2 | -173.2 | -119.1 | 0 | 0 | 0 | 112.7 | S128 V129 W130 I134 L135 I136 L141 F219 | S128-F132 WeakPolarHBondContact O-CB 3.44Å; S128-F132 PolarHBondContact O-N 3.1Å; V129-F132 PolarHBondContact O-N 3.08Å; W130-F132 VanDerWaalsContact C-N 3.32Å; W130-F132 PolarHBondContact O-N 3.32Å; F132-I134 PolarHBondContact O-N 3.36Å; F132-L135 PolarHBondContact O-N 2.97Å; F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CD2-CD1 4.44Å; F132-I136 HydrophobicContact CE1-CD1 3.36Å; F132-I136 HydrophobicContact CE1-CG1 4.44Å; F132-I136 HydrophobicContact CE2-CD1 4Å; F132-I136 HydrophobicContact CE2-CG1 4.31Å; F132-I136 HydrophobicContact CG-CD1 4.37Å; F132-I136 HydrophobicContact CZ-CD1 3.46Å; F132-I136 VanDerWaalsContact CZ-CD1 3.46Å; F132-I136 HydrophobicContact CZ-CG1 4.23Å; F132-I136 PolarHBondContact O-N 2.89Å; F132-L141 HydrophobicContact CE2-CD1 4.26Å; F132-F219 HydrophobicContact CB-CD2 4.12Å; F132-F219 HydrophobicContact CB-CE2 3.68Å; F132-F219 HydrophobicContact CB-CZ 4.36Å; F132-F219 HydrophobicContact CD2-CE1 4.38Å; F132-F219 AromaticContact CD2-CE2 3.91Å; F132-F219 HydrophobicContact CD2-CE2 3.91Å; F132-F219 AromaticContact CD2-CZ 3.7Å; F132-F219 HydrophobicContact CD2-CZ 3.7Å; F132-F219 HydrophobicContact CE2-CZ 4.41Å; F132-F219 HydrophobicContact CG-CE2 4.13Å; F132-F219 HydrophobicContact CG-CZ 4.35Å |
| 133 | Y | 97.6 | Very high | 93.9 | Very high | 136 Ų | 136 | 55.6 Ų | 55.6 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59 | -45.4 | 174.7 | 173.4 | -97.3 | 0 | 0 | 0 | 112 | V129 W130 S131 L135 I136 T137 | V129-Y133 WeakPolarHBondContact O-CB 3.42Å; V129-Y133 PolarHBondContact O-N 2.89Å; W130-Y133 WeakPolarHBondContact O-CB 3.36Å; W130-Y133 PolarHBondContact O-N 3.21Å; S131-Y133 VanDerWaalsContact C-N 3.35Å; S131-Y133 PolarHBondContact O-N 2.85Å; Y133-L135 PolarHBondContact O-N 2.95Å; Y133-I136 PolarHBondContact O-N 2.94Å; Y133-T137 HydrophobicContact CD1-CG2 4.48Å; Y133-T137 HydrophobicContact CD2-CG2 4.21Å; Y133-T137 HydrophobicContact CE1-CG2 4.07Å; Y133-T137 HydrophobicContact CE2-CG2 3.77Å; Y133-T137 WeakPolarHBondContact O-CB 3.45Å; Y133-T137 WeakPolarHBondContact O-CG2 3.34Å; Y133-T137 PolarHBondContact O-N 3.23Å; Y133-T137 PolarHBondContact O-OG1 3.15Å |
| 134 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -44 | 176.4 | -61.5 | 168.3 | 0 | 0 | 0 | 110.4 | W130 S131 F132 I136 T137 E138 Q159 V160 F163 L215 | W130-I134 WeakPolarHBondContact O-CG1 3.48Å; W130-I134 PolarHBondContact O-N 3.21Å; S131-I134 PolarHBondContact O-N 3.41Å; F132-I134 PolarHBondContact O-N 3.36Å; I134-I136 VanDerWaalsContact C-N 3.31Å; I134-I136 PolarHBondContact O-N 2.94Å; I134-T137 WeakPolarHBondContact CA-OG1 3.3Å; I134-T137 PolarHBondContact O-N 3.28Å; I134-T137 PolarHBondContact O-OG1 3.36Å; I134-E138 HydrophobicContact CG2-CG 3.86Å; I134-E138 WeakPolarHBondContact O-CB 3.46Å; I134-E138 WeakPolarHBondContact O-CG 3.46Å; I134-E138 PolarHBondContact O-N 3.01Å; I134-Q159 HydrophobicContact CD1-CB 4.49Å; I134-Q159 WeakPolarHBondContact CD1-O 3.33Å; I134-Q159 HydrophobicContact CG1-CB 4.26Å; I134-Q159 HydrophobicContact CG1-CG 4.26Å; I134-Q159 HydrophobicContact CG2-CG 4.36Å; I134-V160 HydrophobicContact CG2-CG2 3.71Å; I134-F163 HydrophobicContact CD1-CB 3.58Å; I134-F163 HydrophobicContact CD1-CD2 3.99Å; I134-F163 HydrophobicContact CD1-CG 3.85Å; I134-L215 HydrophobicContact CB-CD2 3.99Å; I134-L215 HydrophobicContact CG2-CD2 3.41Å; I134-L215 VanDerWaalsContact CG2-CD2 3.41Å |
| 135 | L | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | -179.5 | -73.3 | 174.1 | 0 | 0 | 0 | 113 | S131 F132 Y133 G139 Y140 L141 L215 V216 F219 | S131-L135 WeakPolarHBondContact O-CB 3.4Å; S131-L135 WeakPolarHBondContact O-CG 3.47Å; S131-L135 PolarHBondContact O-N 3.05Å; F132-L135 PolarHBondContact O-N 2.97Å; Y133-L135 PolarHBondContact O-N 2.95Å; L135-G139 PolarHBondContact O-N 3.13Å; L135-Y140 HydrophobicContact CD2-CD2 3.88Å; L135-Y140 HydrophobicContact CD2-CG 4.41Å; L135-Y140 PolarHBondContact O-N 3.26Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; L135-L141 HydrophobicContact CB-CD1 4.06Å; L135-L141 HydrophobicContact CB-CG 4.07Å; L135-L141 HydrophobicContact CD1-CD2 4.33Å; L135-L215 HydrophobicContact CD2-CD2 3.85Å; L135-L215 HydrophobicContact CD2-CG 4.06Å; L135-L215 HydrophobicContact CG-CD2 4.22Å; L135-L215 HydrophobicContact CG-CG 4.38Å; L135-V216 HydrophobicContact CD2-CB 4.48Å; L135-V216 HydrophobicContact CD2-CG2 3.52Å; L135-F219 HydrophobicContact CD1-CB 3.64Å; L135-F219 HydrophobicContact CD1-CD1 3.7Å; L135-F219 HydrophobicContact CD1-CD2 4.34Å; L135-F219 HydrophobicContact CD1-CE1 4.46Å; L135-F219 HydrophobicContact CD1-CG 3.62Å |
| 136 | I | 94.3 | Very high | 92.4 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.2 | -50 | 175.1 | -69.7 | 172 | 0 | 0 | 0 | 110.6 | F132 Y133 I134 E138 G139 | F132-I136 HydrophobicContact CD1-CD1 3.85Å; F132-I136 HydrophobicContact CD2-CD1 4.44Å; F132-I136 HydrophobicContact CE1-CD1 3.36Å; F132-I136 HydrophobicContact CE1-CG1 4.44Å; F132-I136 HydrophobicContact CE2-CD1 4Å; F132-I136 HydrophobicContact CE2-CG1 4.31Å; F132-I136 HydrophobicContact CG-CD1 4.37Å; F132-I136 HydrophobicContact CZ-CD1 3.46Å; F132-I136 VanDerWaalsContact CZ-CD1 3.46Å; F132-I136 HydrophobicContact CZ-CG1 4.23Å; F132-I136 PolarHBondContact O-N 2.89Å; Y133-I136 PolarHBondContact O-N 2.94Å; I134-I136 VanDerWaalsContact C-N 3.31Å; I134-I136 PolarHBondContact O-N 2.94Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.06Å; I136-G139 PolarHBondContact O-N 3.17Å; I136-G139 VanDerWaalsContact O-N 3.14Å |
| 137 | T | 93.1 | Very high | 92.1 | Very high | 64 Ų | 64 | 53 Ų | 53 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.8 | -31.2 | -174.1 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | Y133 I134 Q159 | Y133-T137 HydrophobicContact CD1-CG2 4.48Å; Y133-T137 HydrophobicContact CD2-CG2 4.21Å; Y133-T137 HydrophobicContact CE1-CG2 4.07Å; Y133-T137 HydrophobicContact CE2-CG2 3.77Å; Y133-T137 WeakPolarHBondContact O-CB 3.45Å; Y133-T137 WeakPolarHBondContact O-CG2 3.34Å; Y133-T137 PolarHBondContact O-N 3.23Å; Y133-T137 PolarHBondContact O-OG1 3.15Å; I134-T137 WeakPolarHBondContact CA-OG1 3.3Å; I134-T137 PolarHBondContact O-N 3.28Å; I134-T137 PolarHBondContact O-OG1 3.36Å; T137-Q159 PolarHBondContact OG1-NE2 3.4Å |
| 138 | E | 90.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.8 | 174.4 | -58 | -69.1 | 160.3 | 0 | 0 | 113.5 | I134 I136 Y140 R157 Q159 V160 | I134-E138 HydrophobicContact CG2-CG 3.86Å; I134-E138 WeakPolarHBondContact O-CB 3.46Å; I134-E138 WeakPolarHBondContact O-CG 3.46Å; I134-E138 PolarHBondContact O-N 3.01Å; I136-E138 VanDerWaalsContact C-N 3.32Å; I136-E138 PolarHBondContact O-N 3.06Å; E138-Y140 VanDerWaalsContact C-N 3.33Å; E138-Y140 HydrophobicContact CB-CD1 3.74Å; E138-Y140 HydrophobicContact CB-CD2 4.22Å; E138-Y140 HydrophobicContact CB-CE1 3.32Å; E138-Y140 HydrophobicContact CB-CE2 3.83Å; E138-Y140 HydrophobicContact CB-CG 4.15Å; E138-Y140 HydrophobicContact CG-CE1 4.22Å; E138-Y140 HydrophobicContact CG-CE2 4.17Å; E138-Y140 WeakPolarHBondContact O-CD1 3.23Å; E138-Y140 PolarHBondContact O-N 3.07Å; E138-R157 WeakPolarHBondContact OE1-CB 3.3Å; E138-R157 WeakPolarHBondContact OE1-CD 3.19Å; E138-R157 WeakPolarHBondContact OE1-CG 3.35Å; E138-R157 IonicContact OE1-NE 2.77Å; E138-R157 PolarHBondContact OE1-NE 3.47Å; E138-R157 IonicContact OE2-CZ 3.74Å; E138-R157 IonicContact OE2-NE 3.52Å; E138-R157 PolarHBondContact OE2-NE 2.99Å; E138-Q159 PolarHBondContact OE1-NE2 3.04Å; E138-V160 HydrophobicContact CG-CG2 4.17Å |
| 139 | G | 89 | Confident | 91.5 | Very high | 22 Ų | 22 | 59 Ų | 59 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L135 I136 L141 L142 | L135-G139 PolarHBondContact O-N 3.13Å; I136-G139 PolarHBondContact O-N 3.17Å; I136-G139 VanDerWaalsContact O-N 3.14Å; G139-L141 PolarHBondContact O-N 3.24Å; G139-L141 VanDerWaalsContact O-N 3.15Å; G139-L142 PolarHBondContact O-N 3.38Å |
| 140 | Y | 87.6 | Confident | 91.1 | Very high | 21 Ų | 21 | 61 Ų | 61 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -18.7 | -173.6 | -61.3 | -15.2 | 0 | 0 | 0 | 114.4 | L135 E138 R212 L215 | L135-Y140 HydrophobicContact CD2-CD2 3.88Å; L135-Y140 HydrophobicContact CD2-CG 4.41Å; L135-Y140 PolarHBondContact O-N 3.26Å; L135-Y140 VanDerWaalsContact O-N 3.15Å; E138-Y140 VanDerWaalsContact C-N 3.33Å; E138-Y140 HydrophobicContact CB-CD1 3.74Å; E138-Y140 HydrophobicContact CB-CD2 4.22Å; E138-Y140 HydrophobicContact CB-CE1 3.32Å; E138-Y140 HydrophobicContact CB-CE2 3.83Å; E138-Y140 HydrophobicContact CB-CG 4.15Å; E138-Y140 HydrophobicContact CG-CE1 4.22Å; E138-Y140 HydrophobicContact CG-CE2 4.17Å; E138-Y140 WeakPolarHBondContact O-CD1 3.23Å; E138-Y140 PolarHBondContact O-N 3.07Å; Y140-R212 HydrophobicContact CD1-CG 4.43Å; Y140-R212 HydrophobicContact CD2-CB 4.3Å; Y140-R212 HydrophobicContact CD2-CG 4.32Å; Y140-R212 HydrophobicContact CE1-CG 3.96Å; Y140-R212 HydrophobicContact CE2-CB 4.24Å; Y140-R212 HydrophobicContact CE2-CG 3.86Å; Y140-L215 HydrophobicContact CD2-CD2 4.04Å; Y140-L215 HydrophobicContact CE2-CD2 3.91Å |
| 141 | L | 81.1 | Confident | 90.9 | Very high | 84 Ų | 84 | 58.6 Ų | 58.6 | 44% | 0.44 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -19.3 | -179.5 | -63.1 | 178 | 0 | 0 | 0 | 113.9 | F132 L135 G139 | F132-L141 HydrophobicContact CE2-CD1 4.26Å; L135-L141 HydrophobicContact CB-CD1 4.06Å; L135-L141 HydrophobicContact CB-CG 4.07Å; L135-L141 HydrophobicContact CD1-CD2 4.33Å; G139-L141 PolarHBondContact O-N 3.24Å; G139-L141 VanDerWaalsContact O-N 3.15Å |
| 142 | L | 81.3 | Confident | 90.7 | Very high | 134 Ų | 134 | 60.1 Ų | 60.1 | 70% | 0.702 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -33.2 | -172.3 | -64.2 | 173.1 | 0 | 0 | 0 | 112.3 | G139 | G139-L142 PolarHBondContact O-N 3.38Š|
| 143 | H | 82.8 | Confident | 90.3 | Very high | 123 Ų | 123 | 56.2 Ų | 56.2 | 57% | 0.569 | 29% | 0.293 | S | S | * | . | trans | -128 | 100.9 | -178.1 | -60.8 | -64.5 | 0 | 0 | 0 | 109.9 | S145 S146 | H143-S145 PolarHBondContact O-N 3.34Å; H143-S145 VanDerWaalsContact O-N 3.1Å; H143-S146 WeakPolarHBondContact O-CB 3.45Å; H143-S146 PolarHBondContact O-N 3.28Å; H143-S146 PolarHBondContact O-OG 3.09Å | ||
| 144 | P | 83.1 | Confident | 90 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 51% | 0.506 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -56.2 | -30.2 | -178.3 | -28.2 | 35.4 | 0 | 0 | 0 | 113.9 | S146 L147 W148 | P144-S146 VanDerWaalsContact C-N 3.27Å; P144-S146 PolarHBondContact O-N 3.16Å; P144-L147 VanDerWaalsContact O-CB 3.31Å; P144-L147 WeakPolarHBondContact O-CB 3.27Å; P144-L147 VanDerWaalsContact O-CG 3.23Å; P144-L147 WeakPolarHBondContact O-CG 3.47Å; P144-L147 PolarHBondContact O-N 3.43Å; P144-W148 WeakPolarHBondContact O-CZ3 3.47Å |
| 145 | S | 88.7 | Confident | 89.8 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -68.3 | -24.8 | 177.9 | 63 | 0 | 0 | 0 | 0 | 114 | H143 L147 W148 E149 | H143-S145 PolarHBondContact O-N 3.34Å; H143-S145 VanDerWaalsContact O-N 3.1Å; S145-L147 PolarHBondContact O-N 3.06Å; S145-W148 VanDerWaalsContact CA-CH2 3.47Å; S145-W148 VanDerWaalsContact CA-CZ2 3.49Å; S145-W148 PolarHBondContact O-N 3.42Å; S145-E149 WeakPolarHBondContact CB-OE1 3.41Å; S145-E149 WeakPolarHBondContact O-CB 3.44Å; S145-E149 VanDerWaalsContact O-CG 3.28Å; S145-E149 WeakPolarHBondContact O-CG 3.34Å; S145-E149 PolarHBondContact O-N 3.33Å; S145-E149 VanDerWaalsContact OG-CD 3.27Å; S145-E149 PolarHBondContact OG-OE1 3.37Å |
| 146 | S | 90.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -57.7 | -19.1 | 174.5 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | H143 P144 W148 R212 | H143-S146 WeakPolarHBondContact O-CB 3.45Å; H143-S146 PolarHBondContact O-N 3.28Å; H143-S146 PolarHBondContact O-OG 3.09Å; P144-S146 VanDerWaalsContact C-N 3.27Å; P144-S146 PolarHBondContact O-N 3.16Å; S146-W148 VanDerWaalsContact C-N 3.29Å; S146-W148 PolarHBondContact O-N 3.24Å; S146-R212 WeakPolarHBondContact O-CD 3.43Å; S146-R212 PolarHBondContact O-NH1 3.4Å |
| 147 | L | 92.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -68.2 | -25.5 | 177.7 | -61.8 | -178.1 | 0 | 0 | 0 | 113.3 | P144 S145 H153 R212 V213 V216 L262 A266 | P144-L147 VanDerWaalsContact O-CB 3.31Å; P144-L147 WeakPolarHBondContact O-CB 3.27Å; P144-L147 VanDerWaalsContact O-CG 3.23Å; P144-L147 WeakPolarHBondContact O-CG 3.47Å; P144-L147 PolarHBondContact O-N 3.43Å; S145-L147 PolarHBondContact O-N 3.06Å; L147-H153 PolarHBondContact O-CE1 3.44Å; L147-R212 HydrophobicContact CD2-CB 4.3Å; L147-V213 HydrophobicContact CB-CG2 3.85Å; L147-V213 WeakPolarHBondContact O-CG2 3.47Å; L147-V216 HydrophobicContact CD2-CG2 3.76Å; L147-L262 HydrophobicContact CD1-CD2 4.08Å; L147-A266 HydrophobicContact CB-CB 4.32Å |
| 148 | W | 93.3 | Very high | 89.8 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | -18.6 | 178.5 | 63.9 | 84.9 | 0 | 0 | 0 | 113.5 | P144 S145 S146 Y151 L265 A266 L271 | P144-W148 WeakPolarHBondContact O-CZ3 3.47Å; S145-W148 VanDerWaalsContact CA-CH2 3.47Å; S145-W148 VanDerWaalsContact CA-CZ2 3.49Å; S145-W148 PolarHBondContact O-N 3.42Å; S146-W148 VanDerWaalsContact C-N 3.29Å; S146-W148 PolarHBondContact O-N 3.24Å; W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.26Å; W148-Y151 PolarHBondContact O-N 3.47Å; W148-L265 HydrophobicContact CH2-CD1 4.06Å; W148-L265 HydrophobicContact CH2-CD2 3.9Å; W148-L265 HydrophobicContact CH2-CG 3.68Å; W148-L265 HydrophobicContact CZ3-CD2 3.87Å; W148-L265 HydrophobicContact CZ3-CG 3.66Å; W148-A266 HydrophobicContact CB-CB 4.5Å; W148-A266 VanDerWaalsContact CE3-CA 3.49Å; W148-A266 HydrophobicContact CE3-CB 3.73Å; W148-A266 HydrophobicContact CZ3-CB 4.38Å; W148-L271 HydrophobicContact CB-CD2 3.93Å; W148-L271 HydrophobicContact CB-CG 4.1Å |
| 149 | E | 91.8 | Very high | 90.1 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 41% | 0.407 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 142.6 | 172.2 | -76.6 | 171.1 | -173.5 | 0 | 0 | 111.2 | S145 Y151 H153 R212 | S145-E149 WeakPolarHBondContact CB-OE1 3.41Å; S145-E149 WeakPolarHBondContact O-CB 3.44Å; S145-E149 VanDerWaalsContact O-CG 3.28Å; S145-E149 WeakPolarHBondContact O-CG 3.34Å; S145-E149 PolarHBondContact O-N 3.33Å; S145-E149 VanDerWaalsContact OG-CD 3.27Å; S145-E149 PolarHBondContact OG-OE1 3.37Å; E149-Y151 PolarHBondContact O-N 2.75Å; E149-Y151 VanDerWaalsContact O-N 3.11Å; E149-H153 PolarHBondContact O-NE2 3.17Å; E149-R212 PolarHBondContact O-NH1 3.21Å |
| 150 | N | 90.4 | Very high | 90.4 | Very high | 135 Ų | 135 | 58.5 Ų | 58.5 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.1 | -178.3 | -51.7 | -41.1 | 0 | 0 | 0 | 113.6 | P152 H153 | N150-P152 CarbonylContact O-C 3.22Å; N150-H153 PolarHBondContact O-CD2 3.07Å |
| 151 | Y | 93.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | trans | -60.6 | 141.3 | 163.7 | 178.7 | -89.2 | 0 | 0 | 0 | 108.9 | W148 E149 L208 N209 L210 L271 N276 N285 F286 N287 | W148-Y151 VanDerWaalsContact O-CB 3.3Å; W148-Y151 WeakPolarHBondContact O-CB 3.26Å; W148-Y151 PolarHBondContact O-N 3.47Å; E149-Y151 PolarHBondContact O-N 2.75Å; E149-Y151 VanDerWaalsContact O-N 3.11Å; Y151-L208 WeakPolarHBondContact CE2-O 3.35Å; Y151-L208 PolarHBondContact OH-O 3.25Å; Y151-N209 HydrophobicContact CE2-CB 4.28Å; Y151-N209 WeakPolarHBondContact CE2-O 3.39Å; Y151-L210 HydrophobicContact CD2-CD2 3.96Å; Y151-L210 HydrophobicContact CE2-CD2 3.54Å; Y151-L210 HydrophobicContact CE2-CG 4.13Å; Y151-L271 VanDerWaalsContact CB-CD2 3.46Å; Y151-L271 HydrophobicContact CD1-CD2 3.78Å; Y151-L271 HydrophobicContact CD2-CD1 4.47Å; Y151-L271 HydrophobicContact CD2-CD2 4.09Å; Y151-L271 HydrophobicContact CG-CD2 3.47Å; Y151-L271 VanDerWaalsContact CG-CD2 3.47Å; Y151-N276 PolarHBondContact O-ND2 3.31Å; Y151-N285 WeakPolarHBondContact CE1-OD1 3.43Å; Y151-F286 WeakPolarHBondContact OH-CB 3.33Å; Y151-F286 PolarHBondContact OH-N 2.67Å; Y151-N287 HydrophobicContact CD1-CB 4.18Å; Y151-N287 HydrophobicContact CE1-CB 3.79Å | ||
| 152 | P | 93.4 | Very high | 91.7 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | cis | -76.5 | 140.3 | 1.8 | 31.8 | -36 | 0 | 0 | 0 | 114 | N150 S154 N209 T283 G284 N285 | N150-P152 CarbonylContact O-C 3.22Å; P152-S154 PolarHBondContact O-N 2.98Å; P152-N209 HydrophobicContact CB-CB 3.98Å; P152-T283 WeakPolarHBondContact CG-O 3.46Å; P152-G284 WeakPolarHBondContact CB-O 3.36Å; P152-N285 HydrophobicContact CG-CB 4.13Å | ||
| 153 | H | 91 | Very high | 92.5 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | trans | -83.4 | 54.9 | 176.6 | -54.8 | 139.8 | 0 | 0 | 0 | 112 | L147 E149 N150 H155 L156 N209 R212 | L147-H153 PolarHBondContact O-CE1 3.44Å; E149-H153 PolarHBondContact O-NE2 3.17Å; N150-H153 PolarHBondContact O-CD2 3.07Å; H153-H155 VanDerWaalsContact C-N 3.27Å; H153-H155 PolarHBondContact O-N 3.39Å; H153-L156 WeakPolarHBondContact O-CD2 3.46Å; H153-N209 PolarHBondContact N-O 3.2Å; H153-R212 VanDerWaalsContact CD2-CZ 3.49Å; H153-R212 VanDerWaalsContact CE1-CD 3.42Å; H153-R212 WeakPolarHBondContact CE1-CD 3.41Å; H153-R212 WeakPolarHBondContact ND1-CG 3.34Å; H153-R212 PolarHBondContact NE2-NH1 3.37Å | ||
| 154 | S | 90.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | trans | -68.5 | -23.2 | -173.2 | -56.9 | 0 | 0 | 0 | 0 | 113.9 | H69 P152 N209 T283 | H69-S154 PolarHBondContact ND1-O 3.25Å; H69-S154 VanDerWaalsContact ND1-O 3.16Å; P152-S154 PolarHBondContact O-N 2.98Å; S154-N209 PolarHBondContact OG-ND2 3.07Å; S154-T283 PolarHBondContact OG-O 3.42Å | ||
| 155 | H | 92.2 | Very high | 94 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 53% | 0.528 | 19% | 0.187 | S | C | . | . | trans | -100.5 | 104.8 | 178.4 | -62.4 | -82 | 0 | 0 | 0 | 110.6 | T67 H69 H153 | T67-H155 HydrophobicContact CG2-CB 4.26Å; T67-H155 PolarHBondContact OG1-ND1 3.09Å; H69-H155 AromaticContact CE1-CE1 3.29Å; H69-H155 PolarHBondContact CE1-CE1 3.08Å; H69-H155 AromaticContact CE1-ND1 3.54Å; H69-H155 AromaticContact CE1-NE2 3.72Å; H69-H155 AromaticContact NE2-CE1 2.97Å; H69-H155 PolarHBondContact NE2-CE1 3.02Å; H69-H155 AromaticContact NE2-ND1 3.09Å; H69-H155 PolarHBondContact NE2-ND1 3.41Å; H69-H155 AromaticContact NE2-NE2 3.85Å; H153-H155 VanDerWaalsContact C-N 3.27Å; H153-H155 PolarHBondContact O-N 3.39Å | ||
| 156 | L | 94.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -97.9 | 140.3 | -179.6 | -56 | 177.6 | 0 | 0 | 0 | 110.7 | T67 Y68 H153 V160 K161 Y206 S211 | T67-L156 CarbonylContact C-O 3.48Å; T67-L156 WeakPolarHBondContact CA-O 3.37Å; Y68-L156 PolarHBondContact N-O 3.36Å; Y68-L156 WeakPolarHBondContact O-CB 3.25Å; Y68-L156 PolarHBondContact O-N 3.39Å; H153-L156 WeakPolarHBondContact O-CD2 3.46Å; L156-V160 HydrophobicContact CD2-CG1 4.12Å; L156-K161 HydrophobicContact CB-CB 4.03Å; L156-K161 HydrophobicContact CD1-CB 4.06Å; L156-K161 HydrophobicContact CD1-CG 4.48Å; L156-Y206 HydrophobicContact CD1-CD2 4.24Å; L156-Y206 HydrophobicContact CD1-CE2 3.69Å; L156-S211 VanDerWaalsContact CD2-OG 3.26Å; L156-S211 WeakPolarHBondContact CD2-OG 3.36Å |
| 157 | R | 94.3 | Very high | 94.9 | Very high | 139 Ų | 139 | 38.1 Ų | 38.1 | 53% | 0.525 | 18% | 0.178 | S | C | . | . | trans | -66.6 | 154.8 | 164.2 | -58.7 | -142.9 | -161.1 | -135.9 | -5.4 | 110.1 | E138 Q159 V160 K161 | E138-R157 WeakPolarHBondContact OE1-CB 3.3Å; E138-R157 WeakPolarHBondContact OE1-CD 3.19Å; E138-R157 WeakPolarHBondContact OE1-CG 3.35Å; E138-R157 IonicContact OE1-NE 2.77Å; E138-R157 PolarHBondContact OE1-NE 3.47Å; E138-R157 IonicContact OE2-CZ 3.74Å; E138-R157 IonicContact OE2-NE 3.52Å; E138-R157 PolarHBondContact OE2-NE 2.99Å; R157-Q159 VanDerWaalsContact C-N 3.26Å; R157-Q159 HydrophobicContact CB-CG 4.28Å; R157-Q159 PolarHBondContact O-N 3.04Å; R157-V160 HydrophobicContact CB-CG2 4.38Å; R157-V160 PolarHBondContact O-N 3.13Å; R157-V160 VanDerWaalsContact O-N 3.08Å; R157-K161 PolarHBondContact O-N 3.09Å | ||
| 158 | F | 95.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 38.2 Ų | 38.2 | 44% | 0.439 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -45.8 | -51.4 | 176.4 | 171.4 | -95.1 | 0 | 0 | 0 | 111.9 | P52 Y68 V160 K161 F162 | P52-F158 HydrophobicContact CG-CD2 3.83Å; P52-F158 HydrophobicContact CG-CE2 3.54Å; P52-F158 HydrophobicContact CG-CZ 4.45Å; Y68-F158 HydrophobicContact CD2-CB 4.35Å; Y68-F158 HydrophobicContact CE2-CB 3.68Å; Y68-F158 HydrophobicContact CE2-CD2 4.31Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.17Å; F158-K161 PolarHBondContact O-N 3.13Å; F158-F162 HydrophobicContact CE1-CB 4.28Å; F158-F162 HydrophobicContact CE1-CD1 4.18Å; F158-F162 HydrophobicContact CE1-CG 4.35Å; F158-F162 HydrophobicContact CE2-CB 4.49Å; F158-F162 HydrophobicContact CZ-CB 4.23Å; F158-F162 HydrophobicContact CZ-CD1 4.15Å; F158-F162 HydrophobicContact CZ-CG 4.07Å; F158-F162 WeakPolarHBondContact O-CB 3.36Å; F158-F162 PolarHBondContact O-N 3.1Å |
| 159 | Q | 95.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 36 Ų | 36 | 17% | 0.168 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -38.6 | -176.6 | 60 | 176.5 | -7.4 | 0 | 0 | 113.5 | I134 T137 E138 R157 F163 | I134-Q159 HydrophobicContact CD1-CB 4.49Å; I134-Q159 WeakPolarHBondContact CD1-O 3.33Å; I134-Q159 HydrophobicContact CG1-CB 4.26Å; I134-Q159 HydrophobicContact CG1-CG 4.26Å; I134-Q159 HydrophobicContact CG2-CG 4.36Å; T137-Q159 PolarHBondContact OG1-NE2 3.4Å; E138-Q159 PolarHBondContact OE1-NE2 3.04Å; R157-Q159 VanDerWaalsContact C-N 3.26Å; R157-Q159 HydrophobicContact CB-CG 4.28Å; R157-Q159 PolarHBondContact O-N 3.04Å; Q159-F163 VanDerWaalsContact O-CB 3.23Å; Q159-F163 WeakPolarHBondContact O-CB 3.45Å; Q159-F163 PolarHBondContact O-N 3.04Å |
| 160 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -51.5 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | I134 E138 L156 R157 F158 F162 F163 Y164 | I134-V160 HydrophobicContact CG2-CG2 3.71Å; E138-V160 HydrophobicContact CG-CG2 4.17Å; L156-V160 HydrophobicContact CD2-CG1 4.12Å; R157-V160 HydrophobicContact CB-CG2 4.38Å; R157-V160 PolarHBondContact O-N 3.13Å; R157-V160 VanDerWaalsContact O-N 3.08Å; F158-V160 VanDerWaalsContact C-N 3.34Å; F158-V160 PolarHBondContact O-N 3.17Å; V160-F162 PolarHBondContact O-N 3Å; V160-F163 WeakPolarHBondContact O-CB 3.13Å; V160-F163 PolarHBondContact O-N 2.94Å; V160-Y164 HydrophobicContact CG1-CD2 4.14Å; V160-Y164 HydrophobicContact CG1-CE2 4.1Å; V160-Y164 WeakPolarHBondContact O-CD2 3.38Å; V160-Y164 PolarHBondContact O-N 3.41Å |
| 161 | K | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 179.2 | 178.8 | 168.2 | 176.5 | 164.1 | 0 | 110.9 | P52 Q53 Y68 H69 D74 L156 R157 F158 F163 Y164 L165 Y206 | P52-K161 HydrophobicContact CB-CD 3.95Å; P52-K161 HydrophobicContact CB-CG 4.23Å; Q53-K161 PolarHBondContact O-NZ 2.92Å; Y68-K161 HydrophobicContact CD1-CD 4.24Å; Y68-K161 HydrophobicContact CG-CD 4.02Å; H69-K161 PolarHBondContact O-NZ 2.96Å; D74-K161 VanDerWaalsContact CG-NZ 3.32Å; D74-K161 WeakPolarHBondContact OD1-CE 3.37Å; D74-K161 IonicContact OD1-NZ 3.87Å; D74-K161 PolarHBondContact OD1-NZ 2.94Å; D74-K161 WeakPolarHBondContact OD2-CE 3.34Å; D74-K161 IonicContact OD2-NZ 2.9Å; D74-K161 PolarHBondContact OD2-NZ 3.46Å; D74-K161 VanDerWaalsContact OD2-NZ 3.16Å; L156-K161 HydrophobicContact CB-CB 4.03Å; L156-K161 HydrophobicContact CD1-CB 4.06Å; L156-K161 HydrophobicContact CD1-CG 4.48Å; R157-K161 PolarHBondContact O-N 3.09Å; F158-K161 PolarHBondContact O-N 3.13Å; K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.2Å; K161-Y164 PolarHBondContact O-N 2.92Å; K161-Y164 VanDerWaalsContact O-N 3.13Å; K161-L165 HydrophobicContact CG-CD1 4.22Å; K161-L165 HydrophobicContact CG-CG 4.3Å; K161-L165 WeakPolarHBondContact O-CG 3.45Å; K161-L165 PolarHBondContact O-N 2.97Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.38Å; K161-Y206 HydrophobicContact CG-CE2 4.41Å |
| 162 | F | 97.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 15% | 0.145 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -36.8 | -177.7 | -173.4 | -124.8 | 0 | 0 | 0 | 112.3 | P52 Y81 W130 F158 V160 T166 | P52-F162 HydrophobicContact CG-CB 4.14Å; P52-F162 HydrophobicContact CG-CD2 4.01Å; P52-F162 HydrophobicContact CG-CG 4.43Å; Y81-F162 HydrophobicContact CD1-CE2 4.33Å; Y81-F162 HydrophobicContact CD1-CZ 4.28Å; Y81-F162 HydrophobicContact CD2-CE2 4.13Å; Y81-F162 AromaticContact CE1-CE2 3.7Å; Y81-F162 HydrophobicContact CE1-CE2 3.7Å; Y81-F162 AromaticContact CE1-CZ 3.51Å; Y81-F162 HydrophobicContact CE1-CZ 3.51Å; Y81-F162 AromaticContact CE2-CE2 3.5Å; Y81-F162 HydrophobicContact CE2-CE2 3.5Å; Y81-F162 VanDerWaalsContact CE2-CE2 3.5Å; Y81-F162 HydrophobicContact CE2-CZ 4.18Å; Y81-F162 AromaticContact CZ-CE2 3.24Å; Y81-F162 AromaticContact CZ-CZ 3.45Å; Y81-F162 VanDerWaalsContact CZ-CZ 3.45Å; Y81-F162 VanDerWaalsContact OH-CE2 3.29Å; Y81-F162 WeakPolarHBondContact OH-CE2 3.48Å; Y81-F162 WeakPolarHBondContact OH-CZ 3.23Å; W130-F162 AromaticContact CH2-CD1 3.6Å; W130-F162 HydrophobicContact CH2-CD1 3.6Å; W130-F162 AromaticContact CH2-CE1 3.68Å; W130-F162 HydrophobicContact CH2-CE1 3.68Å; W130-F162 HydrophobicContact CH2-CG 4.38Å; W130-F162 AromaticContact CZ2-CD1 3.55Å; W130-F162 HydrophobicContact CZ2-CD1 3.55Å; W130-F162 HydrophobicContact CZ2-CE1 4.02Å; W130-F162 HydrophobicContact CZ2-CG 4.39Å; F158-F162 HydrophobicContact CE1-CB 4.28Å; F158-F162 HydrophobicContact CE1-CD1 4.18Å; F158-F162 HydrophobicContact CE1-CG 4.35Å; F158-F162 HydrophobicContact CE2-CB 4.49Å; F158-F162 HydrophobicContact CZ-CB 4.23Å; F158-F162 HydrophobicContact CZ-CD1 4.15Å; F158-F162 HydrophobicContact CZ-CG 4.07Å; F158-F162 WeakPolarHBondContact O-CB 3.36Å; F158-F162 PolarHBondContact O-N 3.1Å; V160-F162 PolarHBondContact O-N 3Å; F162-T166 WeakPolarHBondContact O-CB 3.16Å; F162-T166 PolarHBondContact O-N 3.23Å; F162-T166 PolarHBondContact O-OG1 2.65Å |
| 163 | F | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -55.9 | 171.4 | 177.4 | -94.1 | 0 | 0 | 0 | 111.1 | W130 I134 Q159 V160 K161 L165 T166 Q167 L215 L218 Y222 | W130-F163 HydrophobicContact CB-CD2 4.5Å; W130-F163 AromaticContact CD2-CD2 3.72Å; W130-F163 HydrophobicContact CD2-CD2 3.72Å; W130-F163 HydrophobicContact CD2-CE2 4.46Å; W130-F163 AromaticContact CE3-CD2 3.94Å; W130-F163 HydrophobicContact CE3-CD2 3.94Å; W130-F163 AromaticContact CG-CD2 3.99Å; W130-F163 HydrophobicContact CG-CD2 3.99Å; W130-F163 HydrophobicContact CG-CE2 4.48Å; W130-F163 HydrophobicContact CH2-CB 4.49Å; W130-F163 HydrophobicContact CZ2-CB 4.06Å; W130-F163 HydrophobicContact CZ2-CD2 4.49Å; W130-F163 HydrophobicContact CZ3-CD2 4.43Å; I134-F163 HydrophobicContact CD1-CB 3.58Å; I134-F163 HydrophobicContact CD1-CD2 3.99Å; I134-F163 HydrophobicContact CD1-CG 3.85Å; Q159-F163 VanDerWaalsContact O-CB 3.23Å; Q159-F163 WeakPolarHBondContact O-CB 3.45Å; Q159-F163 PolarHBondContact O-N 3.04Å; V160-F163 WeakPolarHBondContact O-CB 3.13Å; V160-F163 PolarHBondContact O-N 2.94Å; K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.2Å; F163-L165 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-N 3.23Å; F163-T166 VanDerWaalsContact O-N 3.15Å; F163-Q167 HydrophobicContact CD1-CG 3.85Å; F163-Q167 HydrophobicContact CD2-CG 4.37Å; F163-Q167 HydrophobicContact CE1-CG 3.51Å; F163-Q167 HydrophobicContact CE2-CG 4.08Å; F163-Q167 HydrophobicContact CG-CG 4.26Å; F163-Q167 HydrophobicContact CZ-CG 3.64Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.34Å; F163-Q167 PolarHBondContact O-N 2.87Å; F163-L215 HydrophobicContact CD1-CD1 3.44Å; F163-L215 VanDerWaalsContact CD1-CD1 3.44Å; F163-L215 HydrophobicContact CE1-CD1 3.4Å; F163-L215 HydrophobicContact CG-CD1 4.18Å; F163-L215 HydrophobicContact CZ-CD1 4.1Å; F163-L218 HydrophobicContact CE1-CD1 4.04Å; F163-Y222 HydrophobicContact CZ-CE2 4.23Å |
| 164 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.7 | -46.1 | -179.1 | -88.1 | -81.8 | 0 | 0 | 0 | 113 | V160 K161 T166 Q167 L168 I202 A205 Y206 S211 G214 L215 L218 | V160-Y164 HydrophobicContact CG1-CD2 4.14Å; V160-Y164 HydrophobicContact CG1-CE2 4.1Å; V160-Y164 WeakPolarHBondContact O-CD2 3.38Å; V160-Y164 PolarHBondContact O-N 3.41Å; K161-Y164 PolarHBondContact O-N 2.92Å; K161-Y164 VanDerWaalsContact O-N 3.13Å; Y164-T166 VanDerWaalsContact C-N 3.32Å; Y164-T166 PolarHBondContact O-N 3.29Å; Y164-Q167 PolarHBondContact O-N 2.61Å; Y164-L168 WeakPolarHBondContact O-CG 3.47Å; Y164-L168 PolarHBondContact O-N 2.94Å; Y164-I202 HydrophobicContact CD1-CG2 3.69Å; Y164-I202 HydrophobicContact CE1-CG2 4.22Å; Y164-A205 HydrophobicContact CE1-CB 3.97Å; Y164-Y206 HydrophobicContact CD1-CD2 4.23Å; Y164-Y206 HydrophobicContact CD1-CG 4.48Å; Y164-Y206 HydrophobicContact CD2-CD2 4.38Å; Y164-Y206 AromaticContact CG-CD2 3.88Å; Y164-Y206 HydrophobicContact CG-CD2 3.88Å; Y164-S211 WeakPolarHBondContact OH-CA 3.3Å; Y164-S211 PolarHBondContact OH-O 3.37Å; Y164-G214 VanDerWaalsContact OH-CA 3.31Å; Y164-G214 WeakPolarHBondContact OH-CA 3.48Å; Y164-L215 PolarHBondContact OH-N 3.4Å; Y164-L218 HydrophobicContact CE1-CD1 4.03Å |
| 165 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 178.3 | -59.9 | -171.5 | 0 | 0 | 0 | 111.6 | P52 D74 T77 I78 K161 F163 L168 A169 Y206 | P52-L165 HydrophobicContact CB-CD1 4.5Å; D74-L165 HydrophobicContact CB-CD1 4.25Å; D74-L165 HydrophobicContact CB-CD2 3.75Å; T77-L165 HydrophobicContact CG2-CD1 3.9Å; I78-L165 HydrophobicContact CD1-CD2 3.96Å; I78-L165 HydrophobicContact CG1-CB 4.16Å; I78-L165 HydrophobicContact CG1-CD2 3.95Å; K161-L165 HydrophobicContact CG-CD1 4.22Å; K161-L165 HydrophobicContact CG-CG 4.3Å; K161-L165 WeakPolarHBondContact O-CG 3.45Å; K161-L165 PolarHBondContact O-N 2.97Å; F163-L165 PolarHBondContact O-N 2.89Å; L165-L168 PolarHBondContact O-N 2.91Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.44Å; L165-Y206 HydrophobicContact CD2-CE1 4.07Å |
| 166 | T | 98.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 19% | 0.19 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.9 | -37.4 | 177.4 | -54 | 0 | 0 | 0 | 0 | 111.9 | W130 F162 F163 Y164 A169 Y170 | W130-T166 HydrophobicContact CH2-CG2 4.38Å; W130-T166 HydrophobicContact CZ3-CG2 3.95Å; F162-T166 WeakPolarHBondContact O-CB 3.16Å; F162-T166 PolarHBondContact O-N 3.23Å; F162-T166 PolarHBondContact O-OG1 2.65Å; F163-T166 PolarHBondContact O-N 3.23Å; F163-T166 VanDerWaalsContact O-N 3.15Å; Y164-T166 VanDerWaalsContact C-N 3.32Å; Y164-T166 PolarHBondContact O-N 3.29Å; T166-A169 PolarHBondContact O-N 3.04Å; T166-Y170 WeakPolarHBondContact O-CB 3.34Å; T166-Y170 PolarHBondContact O-N 3.26Å |
| 167 | Q | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.6 | -61.5 | -41.5 | -65.1 | 0 | 0 | 111.3 | S127 F163 Y164 Y170 W171 I202 Y222 | S127-Q167 PolarHBondContact OG-OE1 3.39Å; F163-Q167 HydrophobicContact CD1-CG 3.85Å; F163-Q167 HydrophobicContact CD2-CG 4.37Å; F163-Q167 HydrophobicContact CE1-CG 3.51Å; F163-Q167 HydrophobicContact CE2-CG 4.08Å; F163-Q167 HydrophobicContact CG-CG 4.26Å; F163-Q167 HydrophobicContact CZ-CG 3.64Å; F163-Q167 VanDerWaalsContact O-CG 3.23Å; F163-Q167 WeakPolarHBondContact O-CG 3.34Å; F163-Q167 PolarHBondContact O-N 2.87Å; Y164-Q167 PolarHBondContact O-N 2.61Å; Q167-Y170 PolarHBondContact O-N 3.1Å; Q167-W171 PolarHBondContact O-N 3.42Å; Q167-I202 HydrophobicContact CB-CD1 3.96Å; Q167-I202 HydrophobicContact CB-CG2 4.29Å; Q167-Y222 PolarHBondContact OE1-OH 2.81Å |
| 168 | L | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 21.8 Ų | 21.8 | 6% | 0.058 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 175.1 | -71.3 | 171.3 | 0 | 0 | 0 | 111.4 | I78 Y164 L165 Y170 W171 L172 L199 I202 S203 | I78-L168 HydrophobicContact CD1-CB 4.17Å; I78-L168 HydrophobicContact CD1-CD1 3.76Å; I78-L168 HydrophobicContact CG1-CB 4.36Å; I78-L168 HydrophobicContact CG2-CB 4.35Å; Y164-L168 WeakPolarHBondContact O-CG 3.47Å; Y164-L168 PolarHBondContact O-N 2.94Å; L165-L168 PolarHBondContact O-N 2.91Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; L168-W171 PolarHBondContact O-N 2.91Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.37Å; L168-L199 HydrophobicContact CD2-CD2 4.17Å; L168-I202 HydrophobicContact CD1-CG2 4.42Å; L168-I202 HydrophobicContact CD2-CB 3.84Å; L168-I202 HydrophobicContact CD2-CG2 3.55Å; L168-I202 HydrophobicContact CG-CB 4.46Å; L168-I202 HydrophobicContact CG-CG2 3.63Å; L168-S203 WeakPolarHBondContact CD2-OG 3.37Å |
| 169 | A | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.5 | -45.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I78 F82 L165 T166 L172 H173 | I78-A169 HydrophobicContact CG2-CB 4.2Å; I78-A169 WeakPolarHBondContact O-CB 3.43Å; F82-A169 HydrophobicContact CB-CB 4.36Å; L165-A169 WeakPolarHBondContact O-CB 3.4Å; L165-A169 PolarHBondContact O-N 3.44Å; T166-A169 PolarHBondContact O-N 3.04Å; A169-L172 PolarHBondContact O-N 3.35Å; A169-H173 PolarHBondContact O-N 2.96Å |
| 170 | Y | 98.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 22 Ų | 22 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.6 | -50.4 | 175.6 | -178.8 | -87.9 | 0 | 0 | 0 | 111.5 | F123 T166 Q167 L168 L172 H173 A174 | F123-Y170 HydrophobicContact CB-CE1 4.14Å; F123-Y170 HydrophobicContact CB-CE2 3.7Å; F123-Y170 VanDerWaalsContact CB-CZ 3.43Å; F123-Y170 VanDerWaalsContact CB-OH 3.23Å; F123-Y170 WeakPolarHBondContact CB-OH 3.3Å; F123-Y170 AromaticContact CD1-CD1 3.87Å; F123-Y170 HydrophobicContact CD1-CD1 3.87Å; F123-Y170 AromaticContact CD1-CE1 3.34Å; F123-Y170 HydrophobicContact CD1-CE1 3.34Å; F123-Y170 HydrophobicContact CD1-CE2 4.32Å; F123-Y170 AromaticContact CD1-CZ 3.59Å; F123-Y170 AromaticContact CD2-CD1 3.65Å; F123-Y170 HydrophobicContact CD2-CD1 3.65Å; F123-Y170 AromaticContact CD2-CD2 3.3Å; F123-Y170 HydrophobicContact CD2-CD2 3.3Å; F123-Y170 AromaticContact CD2-CE1 3.63Å; F123-Y170 HydrophobicContact CD2-CE1 3.63Å; F123-Y170 AromaticContact CD2-CE2 3.26Å; F123-Y170 HydrophobicContact CD2-CE2 3.26Å; F123-Y170 AromaticContact CD2-CG 3.48Å; F123-Y170 HydrophobicContact CD2-CG 3.48Å; F123-Y170 VanDerWaalsContact CD2-CG 3.48Å; F123-Y170 AromaticContact CD2-CZ 3.44Å; F123-Y170 VanDerWaalsContact CD2-CZ 3.44Å; F123-Y170 AromaticContact CE1-CD1 3.56Å; F123-Y170 HydrophobicContact CE1-CD1 3.56Å; F123-Y170 AromaticContact CE1-CE1 3.49Å; F123-Y170 HydrophobicContact CE1-CE1 3.49Å; F123-Y170 VanDerWaalsContact CE1-CE1 3.49Å; F123-Y170 HydrophobicContact CE1-CG 4.3Å; F123-Y170 AromaticContact CE2-CD1 3.32Å; F123-Y170 HydrophobicContact CE2-CD1 3.32Å; F123-Y170 AromaticContact CE2-CD2 3.51Å; F123-Y170 HydrophobicContact CE2-CD2 3.51Å; F123-Y170 AromaticContact CE2-CE1 3.77Å; F123-Y170 HydrophobicContact CE2-CE1 3.77Å; F123-Y170 AromaticContact CE2-CE2 3.92Å; F123-Y170 HydrophobicContact CE2-CE2 3.92Å; F123-Y170 AromaticContact CE2-CG 3.17Å; F123-Y170 HydrophobicContact CE2-CG 3.17Å; F123-Y170 AromaticContact CG-CD1 3.9Å; F123-Y170 HydrophobicContact CG-CD1 3.9Å; F123-Y170 AromaticContact CG-CD2 3.99Å; F123-Y170 HydrophobicContact CG-CD2 3.99Å; F123-Y170 AromaticContact CG-CE1 3.4Å; F123-Y170 HydrophobicContact CG-CE1 3.4Å; F123-Y170 VanDerWaalsContact CG-CE1 3.4Å; 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 4.17Å; F123-Y170 AromaticContact CG-CZ 3.16Å; F123-Y170 WeakPolarHBondContact CG-OH 3.46Å; F123-Y170 AromaticContact CZ-CD1 3.25Å; F123-Y170 HydrophobicContact CZ-CD1 3.25Å; F123-Y170 HydrophobicContact CZ-CD2 4.32Å; F123-Y170 AromaticContact CZ-CE1 3.68Å; F123-Y170 HydrophobicContact CZ-CE1 3.68Å; F123-Y170 AromaticContact CZ-CG 3.62Å; F123-Y170 HydrophobicContact CZ-CG 3.62Å; T166-Y170 WeakPolarHBondContact O-CB 3.34Å; T166-Y170 PolarHBondContact O-N 3.26Å; Q167-Y170 PolarHBondContact O-N 3.1Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.02Å; Y170-L172 PolarHBondContact O-N 3.33Å; Y170-H173 AromaticContact CD2-CE1 3.51Å; Y170-H173 AromaticContact CD2-ND1 3.47Å; Y170-H173 WeakPolarHBondContact CD2-ND1 3.43Å; Y170-H173 AromaticContact CE2-CE1 3.27Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.13Å; Y170-H173 AromaticContact CE2-ND1 3.77Å; Y170-H173 AromaticContact CG-ND1 3.69Å; Y170-H173 AromaticContact CZ-CE1 3.57Å; Y170-H173 PolarHBondContact O-N 3.46Å; Y170-H173 PolarHBondContact O-ND1 3.42Å; Y170-A174 PolarHBondContact O-N 2.85Å |
| 171 | W | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67 | -26.7 | -178.4 | -73.5 | 106.9 | 0 | 0 | 0 | 113.1 | L120 F123 Q167 L168 Y194 I195 Y198 L199 I202 Y222 | L120-W171 HydrophobicContact CD2-CH2 4.13Å; F123-W171 AromaticContact CE1-CE2 4Å; F123-W171 AromaticContact CE1-CZ2 3.84Å; F123-W171 HydrophobicContact CE1-CZ2 3.84Å; F123-W171 AromaticContact CE1-NE1 3.9Å; F123-W171 AromaticContact CZ-NE1 3.96Å; Q167-W171 PolarHBondContact O-N 3.42Å; L168-W171 PolarHBondContact O-N 2.91Å; W171-Y194 HydrophobicContact CH2-CD1 4.03Å; W171-Y194 AromaticContact CH2-CE1 3.64Å; W171-Y194 HydrophobicContact CH2-CE1 3.64Å; W171-Y194 AromaticContact CZ3-CD1 3.93Å; W171-Y194 HydrophobicContact CZ3-CD1 3.93Å; W171-Y194 HydrophobicContact CZ3-CE1 4.03Å; W171-I195 HydrophobicContact CE3-CG1 4.21Å; W171-I195 HydrophobicContact CZ3-CG1 4.43Å; W171-I195 WeakPolarHBondContact O-CG2 3.41Å; W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 HydrophobicContact CD2-CD1 4.42Å; W171-Y198 AromaticContact CD2-CD2 3.78Å; W171-Y198 HydrophobicContact CD2-CD2 3.78Å; W171-Y198 AromaticContact CD2-CG 3.65Å; W171-Y198 HydrophobicContact CD2-CG 3.65Å; W171-Y198 AromaticContact CE2-CD1 3.64Å; W171-Y198 AromaticContact CE2-CD2 3.43Å; W171-Y198 VanDerWaalsContact CE2-CD2 3.43Å; W171-Y198 AromaticContact CE2-CE2 3.91Å; W171-Y198 AromaticContact CE2-CG 3.25Å; W171-Y198 AromaticContact CE3-CD2 3.84Å; W171-Y198 HydrophobicContact CE3-CD2 3.84Å; W171-Y198 HydrophobicContact CE3-CG 4.16Å; W171-Y198 HydrophobicContact CG-CG 4.17Å; W171-Y198 AromaticContact CH2-CD2 3.29Å; W171-Y198 HydrophobicContact CH2-CD2 3.29Å; W171-Y198 AromaticContact CH2-CE2 3.26Å; W171-Y198 HydrophobicContact CH2-CE2 3.26Å; W171-Y198 HydrophobicContact CH2-CG 4.04Å; W171-Y198 AromaticContact CZ2-CD1 3.81Å; W171-Y198 HydrophobicContact CZ2-CD1 3.81Å; W171-Y198 AromaticContact CZ2-CD2 3.19Å; W171-Y198 HydrophobicContact CZ2-CD2 3.19Å; W171-Y198 AromaticContact CZ2-CE1 3.85Å; W171-Y198 HydrophobicContact CZ2-CE1 3.85Å; W171-Y198 AromaticContact CZ2-CE2 3.2Å; W171-Y198 HydrophobicContact CZ2-CE2 3.2Å; W171-Y198 AromaticContact CZ2-CG 3.49Å; W171-Y198 HydrophobicContact CZ2-CG 3.49Å; W171-Y198 VanDerWaalsContact CZ2-CG 3.49Å; W171-Y198 AromaticContact CZ2-CZ 3.53Å; W171-Y198 AromaticContact CZ3-CD2 3.6Å; W171-Y198 HydrophobicContact CZ3-CD2 3.6Å; W171-Y198 HydrophobicContact CZ3-CE2 4.02Å; W171-Y198 HydrophobicContact CZ3-CG 4.33Å; W171-Y198 AromaticContact NE1-CD1 3.53Å; W171-Y198 AromaticContact NE1-CG 3.53Å; W171-L199 HydrophobicContact CB-CD2 3.56Å; W171-L199 HydrophobicContact CB-CG 3.87Å; W171-I202 HydrophobicContact CG-CD1 4.38Å; W171-Y222 HydrophobicContact CZ2-CE1 4.37Å; W171-Y222 PolarHBondContact NE1-OH 3.05Å; W171-Y222 VanDerWaalsContact NE1-OH 3.1Å |
| 172 | L | 98.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 31% | 0.314 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -68.9 | -39.9 | 169.4 | -72.8 | 169.6 | 0 | 0 | 0 | 112.1 | I78 F82 L168 A169 Y170 A174 L175 P176 L199 | I78-L172 HydrophobicContact CG2-CD1 3.51Å; F82-L172 HydrophobicContact CD2-CB 3.79Å; F82-L172 HydrophobicContact CE2-CB 4.29Å; F82-L172 WeakPolarHBondContact CE2-O 3.47Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 WeakPolarHBondContact O-CG 3.37Å; L168-L172 PolarHBondContact O-N 3.37Å; A169-L172 PolarHBondContact O-N 3.35Å; Y170-L172 PolarHBondContact O-N 3.33Å; L172-A174 PolarHBondContact O-N 3.09Å; L172-L175 HydrophobicContact CD2-CD1 4.26Å; L172-L175 WeakPolarHBondContact O-CB 3.31Å; L172-L175 PolarHBondContact O-N 3.27Å; L172-L175 VanDerWaalsContact O-N 3.07Å; L172-P176 WeakPolarHBondContact O-CD 3.43Å; L172-L199 HydrophobicContact CD2-CD1 3.86Å; L172-L199 HydrophobicContact CD2-CD2 4.08Å; L172-L199 HydrophobicContact CG-CD1 4.45Å; L172-L199 HydrophobicContact CG-CD2 3.83Å |
| 173 | H | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -29.8 | 179.3 | 107.9 | -86.7 | 0 | 0 | 0 | 112.1 | F82 A85 I86 H89 A169 Y170 L175 P176 E177 | F82-H173 VanDerWaalsContact CD2-CA 3.46Å; F82-H173 HydrophobicContact CD2-CB 3.91Å; F82-H173 VanDerWaalsContact CD2-N 3.32Å; F82-H173 VanDerWaalsContact CE2-CA 3.45Å; F82-H173 HydrophobicContact CE2-CB 4.25Å; A85-H173 HydrophobicContact CB-CB 3.67Å; I86-H173 HydrophobicContact CG1-CB 4.22Å; H89-H173 AromaticContact CG-NE2 3.78Å; H89-H173 AromaticContact ND1-NE2 3.37Å; H89-H173 PolarHBondContact ND1-NE2 3.23Å; A169-H173 PolarHBondContact O-N 2.96Å; Y170-H173 AromaticContact CD2-CE1 3.51Å; Y170-H173 AromaticContact CD2-ND1 3.47Å; Y170-H173 WeakPolarHBondContact CD2-ND1 3.43Å; Y170-H173 AromaticContact CE2-CE1 3.27Å; Y170-H173 WeakPolarHBondContact CE2-CE1 3.13Å; Y170-H173 AromaticContact CE2-ND1 3.77Å; Y170-H173 AromaticContact CG-ND1 3.69Å; Y170-H173 AromaticContact CZ-CE1 3.57Å; Y170-H173 PolarHBondContact O-N 3.46Å; Y170-H173 PolarHBondContact O-ND1 3.42Å; H173-L175 PolarHBondContact O-N 2.85Å; H173-P176 WeakPolarHBondContact O-CD 3.41Å; H173-P176 VanDerWaalsContact O-CG 3.23Å; H173-P176 WeakPolarHBondContact O-CG 3.4Å; H173-E177 WeakPolarHBondContact O-CB 3.48Å; H173-E177 PolarHBondContact O-N 2.85Å |
| 174 | A | 97.6 | Very high | 96 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 13% | 0.132 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -23 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y170 L172 L178 I195 | Y170-A174 PolarHBondContact O-N 2.85Å; L172-A174 PolarHBondContact O-N 3.09Å; A174-L178 WeakPolarHBondContact O-CG 3.41Å; A174-L178 PolarHBondContact O-N 3.35Å; A174-I195 HydrophobicContact CB-CD1 3.63Å; A174-I195 HydrophobicContact CB-CG1 3.84Å |
| 175 | L | 97.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.2 | -58.7 | 179.6 | -64.9 | 172.4 | 0 | 0 | 0 | 113.4 | L172 H173 E177 L178 L192 I195 | L172-L175 HydrophobicContact CD2-CD1 4.26Å; L172-L175 WeakPolarHBondContact O-CB 3.31Å; L172-L175 PolarHBondContact O-N 3.27Å; L172-L175 VanDerWaalsContact O-N 3.07Å; H173-L175 PolarHBondContact O-N 2.85Å; L175-E177 PolarHBondContact O-N 3.03Å; L175-L178 WeakPolarHBondContact O-CB 3.36Å; L175-L178 PolarHBondContact O-N 3.45Å; L175-L192 HydrophobicContact CD2-CD1 3.44Å; L175-L192 VanDerWaalsContact CD2-CD1 3.44Å; L175-I195 HydrophobicContact CD2-CB 4.48Å; L175-I195 HydrophobicContact CD2-CD1 4.15Å; L175-I195 HydrophobicContact CD2-CG2 3.81Å; L175-I195 HydrophobicContact CG-CG2 4.07Å |
| 176 | P | 96.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 50.2 Ų | 50.2 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.3 | -26.2 | 174.3 | 29.5 | -39.3 | 0 | 0 | 0 | 112.1 | F82 I86 L172 H173 L178 Y179 F180 | F82-P176 HydrophobicContact CE2-CG 3.86Å; F82-P176 HydrophobicContact CZ-CG 3.73Å; I86-P176 HydrophobicContact CD1-CG 4.4Å; L172-P176 WeakPolarHBondContact O-CD 3.43Å; H173-P176 WeakPolarHBondContact O-CD 3.41Å; H173-P176 VanDerWaalsContact O-CG 3.23Å; H173-P176 WeakPolarHBondContact O-CG 3.4Å; P176-L178 VanDerWaalsContact C-N 3.27Å; P176-L178 PolarHBondContact O-N 3.02Å; P176-Y179 WeakPolarHBondContact O-CA 3.4Å; P176-Y179 VanDerWaalsContact O-CB 3.3Å; P176-Y179 WeakPolarHBondContact O-CB 3.37Å; P176-Y179 PolarHBondContact O-N 2.83Å; P176-F180 HydrophobicContact CB-CD2 4.39Å; P176-F180 HydrophobicContact CB-CE2 3.8Å; P176-F180 HydrophobicContact CB-CZ 4Å; P176-F180 HydrophobicContact CG-CE2 4.39Å; P176-F180 WeakPolarHBondContact O-CG 3.42Å; P176-F180 PolarHBondContact O-N 3.12Å |
| 177 | E | 95.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.065 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -31.4 | 177.4 | -168.9 | 59.3 | -158.9 | 0 | 0 | 112.5 | H89 H173 L175 Y179 F180 Q181 | H89-E177 VanDerWaalsContact CD2-CD 3.47Å; H89-E177 IonicContact CD2-OE1 3.85Å; H89-E177 PolarHBondContact CD2-OE1 3.44Å; H89-E177 VanDerWaalsContact CD2-OE1 3.22Å; H89-E177 IonicContact CD2-OE2 3.24Å; H89-E177 IonicContact CE1-OE1 3.16Å; H89-E177 WeakPolarHBondContact NE2-CG 3.29Å; H89-E177 IonicContact NE2-OE1 3.92Å; H89-E177 PolarHBondContact NE2-OE1 3.36Å; H89-E177 IonicContact NE2-OE2 2.72Å; H173-E177 WeakPolarHBondContact O-CB 3.48Å; H173-E177 PolarHBondContact O-N 2.85Å; L175-E177 PolarHBondContact O-N 3.03Å; E177-Y179 PolarHBondContact O-N 3.04Å; E177-F180 PolarHBondContact O-N 2.83Å; E177-F180 WeakPolarHBondContact OE2-CD2 3.21Å; E177-Q181 HydrophobicContact CG-CG 3.91Å; E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 WeakPolarHBondContact O-CG 3.07Å; E177-Q181 PolarHBondContact O-N 3.14Å; E177-Q181 VanDerWaalsContact OE1-CD 3.25Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.08Å; E177-Q181 PolarHBondContact OE1-NE2 3.43Å |
| 178 | L | 94.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 53 Ų | 53 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -54.5 | -36.8 | 170.8 | -58.5 | -175 | 0 | 0 | 0 | 111.8 | A174 L175 P176 V183 I188 Q191 I195 | A174-L178 WeakPolarHBondContact O-CG 3.41Å; A174-L178 PolarHBondContact O-N 3.35Å; L175-L178 WeakPolarHBondContact O-CB 3.36Å; L175-L178 PolarHBondContact O-N 3.45Å; P176-L178 VanDerWaalsContact C-N 3.27Å; P176-L178 PolarHBondContact O-N 3.02Å; L178-V183 HydrophobicContact CB-CG2 4.48Å; L178-V183 HydrophobicContact CD2-CG2 4.19Å; L178-V183 WeakPolarHBondContact O-CG2 3.47Å; L178-V183 PolarHBondContact O-N 2.83Å; L178-V183 VanDerWaalsContact O-N 3.08Å; L178-I188 HydrophobicContact CD1-CG2 4.37Å; L178-Q191 HydrophobicContact CD2-CB 3.84Å; L178-Q191 HydrophobicContact CD2-CG 4.44Å; L178-I195 HydrophobicContact CD1-CD1 4.19Å; L178-I195 HydrophobicContact CD2-CD1 4.35Å; L178-I195 HydrophobicContact CG-CD1 4.38Å |
| 179 | Y | 93.8 | Very high | 94.7 | Very high | 109 Ų | 109 | 56.5 Ų | 56.5 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -79.2 | -46.9 | 178 | 175.4 | -99.5 | 0 | 0 | 0 | 111.8 | Q15 I19 P176 E177 Q181 K182 | Q15-Y179 WeakPolarHBondContact CG-OH 3.29Å; Q15-Y179 PolarHBondContact NE2-OH 3.01Å; Q15-Y179 VanDerWaalsContact NE2-OH 3.09Å; I19-Y179 HydrophobicContact CD1-CE1 4.05Å; I19-Y179 HydrophobicContact CG1-CD1 4.4Å; I19-Y179 HydrophobicContact CG1-CE1 3.89Å; P176-Y179 WeakPolarHBondContact O-CA 3.4Å; P176-Y179 VanDerWaalsContact O-CB 3.3Å; P176-Y179 WeakPolarHBondContact O-CB 3.37Å; P176-Y179 PolarHBondContact O-N 2.83Å; E177-Y179 PolarHBondContact O-N 3.04Å; Y179-Q181 VanDerWaalsContact C-N 3.3Å; Y179-Q181 PolarHBondContact O-N 3.28Å; Y179-K182 PolarHBondContact O-N 2.88Å |
| 180 | F | 92.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 179.5 | -59.2 | -32.1 | 0 | 0 | 0 | 112.5 | L18 I19 H22 P176 E177 K182 | L18-F180 HydrophobicContact CD2-CD1 4.34Å; L18-F180 HydrophobicContact CD2-CE1 3.59Å; L18-F180 HydrophobicContact CD2-CZ 4.43Å; I19-F180 HydrophobicContact CG1-CD1 4.39Å; I19-F180 VanDerWaalsContact CG2-O 3.26Å; I19-F180 WeakPolarHBondContact CG2-O 3.5Å; H22-F180 HydrophobicContact CB-CD1 4.3Å; H22-F180 HydrophobicContact CB-CD2 4.33Å; H22-F180 HydrophobicContact CB-CE1 4.12Å; H22-F180 HydrophobicContact CB-CE2 4.12Å; H22-F180 HydrophobicContact CB-CG 4.43Å; H22-F180 HydrophobicContact CB-CZ 4.03Å; H22-F180 AromaticContact CD2-CD2 3.68Å; H22-F180 AromaticContact CD2-CE2 3.96Å; H22-F180 AromaticContact CG-CD2 3.97Å; P176-F180 HydrophobicContact CB-CD2 4.39Å; P176-F180 HydrophobicContact CB-CE2 3.8Å; P176-F180 HydrophobicContact CB-CZ 4Å; P176-F180 HydrophobicContact CG-CE2 4.39Å; P176-F180 WeakPolarHBondContact O-CG 3.42Å; P176-F180 PolarHBondContact O-N 3.12Å; E177-F180 PolarHBondContact O-N 2.83Å; E177-F180 WeakPolarHBondContact OE2-CD2 3.21Å; F180-K182 VanDerWaalsContact C-N 3.26Å; F180-K182 PolarHBondContact O-N 3.25Å |
| 181 | Q | 90.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 60.8 Ų | 60.8 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.6 | 176.6 | -63.1 | -170.7 | -14.6 | 0 | 0 | 114.3 | H89 E177 Y179 V183 | H89-Q181 PolarHBondContact CE1-NE2 3.13Å; H89-Q181 PolarHBondContact NE2-NE2 2.93Å; E177-Q181 HydrophobicContact CG-CG 3.91Å; E177-Q181 WeakPolarHBondContact O-CB 3.34Å; E177-Q181 WeakPolarHBondContact O-CG 3.07Å; E177-Q181 PolarHBondContact O-N 3.14Å; E177-Q181 VanDerWaalsContact OE1-CD 3.25Å; E177-Q181 WeakPolarHBondContact OE1-CG 3.08Å; E177-Q181 PolarHBondContact OE1-NE2 3.43Å; Y179-Q181 VanDerWaalsContact C-N 3.3Å; Y179-Q181 PolarHBondContact O-N 3.28Å; Q181-V183 VanDerWaalsContact C-N 3.29Å; Q181-V183 HydrophobicContact CB-CG2 4.04Å; Q181-V183 PolarHBondContact O-N 3.29Å |
| 182 | K | 90.6 | Very high | 94.2 | Very high | 109 Ų | 109 | 64 Ų | 64 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 49.1 | -172.6 | -54.1 | -176.9 | -175 | -177.9 | 0 | 111.3 | E16 I19 Y179 F180 R184 | E16-K182 IonicContact OE1-NZ 3.22Å; E16-K182 PolarHBondContact OE1-NZ 3.1Å; E16-K182 IonicContact OE2-NZ 3.61Å; E16-K182 PolarHBondContact OE2-NZ 3.07Å; I19-K182 HydrophobicContact CD1-CG 4.43Å; Y179-K182 PolarHBondContact O-N 2.88Å; F180-K182 VanDerWaalsContact C-N 3.26Å; F180-K182 PolarHBondContact O-N 3.25Å; K182-R184 PolarHBondContact O-N 3.01Å |
| 183 | V | 90.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | trans | -55.4 | 138.6 | 177.6 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | L178 Q181 E187 I188 | L178-V183 HydrophobicContact CB-CG2 4.48Å; L178-V183 HydrophobicContact CD2-CG2 4.19Å; L178-V183 WeakPolarHBondContact O-CG2 3.47Å; L178-V183 PolarHBondContact O-N 2.83Å; L178-V183 VanDerWaalsContact O-N 3.08Å; Q181-V183 VanDerWaalsContact C-N 3.29Å; Q181-V183 HydrophobicContact CB-CG2 4.04Å; Q181-V183 PolarHBondContact O-N 3.29Å; V183-E187 HydrophobicContact CG1-CB 3.82Å; V183-I188 HydrophobicContact CB-CG1 4.36Å; V183-I188 HydrophobicContact CG1-CG1 4.06Å | ||
| 184 | R | 91 | Very high | 93.9 | Very high | 107 Ų | 107 | 66.7 Ų | 66.7 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | trans | -64.5 | 140.2 | -178.6 | -54.8 | -165.2 | -61 | -88.3 | 0.5 | 110.1 | K182 E186 E187 I188 | K182-R184 PolarHBondContact O-N 3.01Å; R184-E186 VanDerWaalsContact CB-CD 3.43Å; R184-E186 HydrophobicContact CB-CG 4.45Å; R184-E186 WeakPolarHBondContact CB-OE1 3.46Å; R184-E186 WeakPolarHBondContact CB-OE2 3.14Å; R184-E186 VanDerWaalsContact CD-OE1 3.23Å; R184-E186 WeakPolarHBondContact CD-OE1 3.29Å; R184-E186 IonicContact CZ-OE1 3.64Å; R184-E186 IonicContact NE-OE1 3.29Å; R184-E186 PolarHBondContact NE-OE1 3.44Å; R184-E186 PolarHBondContact O-N 3.13Å; R184-E186 VanDerWaalsContact O-N 3.1Å; R184-E187 IonicContact CZ-OE1 2.68Å; R184-E187 VanDerWaalsContact CZ-OE1 3.26Å; R184-E187 IonicContact NH1-OE1 2.69Å; R184-E187 IonicContact NH2-OE1 2.97Å; R184-E187 PolarHBondContact NH2-OE1 3.47Å; R184-E187 PolarHBondContact O-N 2.83Å; R184-I188 PolarHBondContact O-N 2.9Å | ||
| 185 | K | 92.1 | Very high | 93.9 | Very high | 182 Ų | 182 | 66.1 Ų | 66.1 | 79% | 0.791 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.8 | -172.9 | -68.4 | -173.3 | 178.7 | -176.6 | 0 | 112.8 | E187 I188 P189 | K185-E187 VanDerWaalsContact C-N 3.27Å; K185-E187 PolarHBondContact O-N 3.45Å; K185-I188 PolarHBondContact O-N 3.42Å; K185-P189 WeakPolarHBondContact O-CD 3.44Å |
| 186 | E | 93.6 | Very high | 93.9 | Very high | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.9 | 177.3 | 67.5 | -84 | -171.2 | 0 | 0 | 114.2 | R184 | R184-E186 VanDerWaalsContact CB-CD 3.43Å; R184-E186 HydrophobicContact CB-CG 4.45Å; R184-E186 WeakPolarHBondContact CB-OE1 3.46Å; R184-E186 WeakPolarHBondContact CB-OE2 3.14Å; R184-E186 VanDerWaalsContact CD-OE1 3.23Å; R184-E186 WeakPolarHBondContact CD-OE1 3.29Å; R184-E186 IonicContact CZ-OE1 3.64Å; R184-E186 IonicContact NE-OE1 3.29Å; R184-E186 PolarHBondContact NE-OE1 3.44Å; R184-E186 PolarHBondContact O-N 3.13Å; R184-E186 VanDerWaalsContact O-N 3.1Å |
| 187 | E | 90.8 | Very high | 94 | Very high | 31 Ų | 31 | 66 Ų | 66 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -22.2 | 178.3 | -62.9 | -169.7 | 174.1 | 0 | 0 | 113.1 | V183 R184 K185 R190 Q191 | V183-E187 HydrophobicContact CG1-CB 3.82Å; R184-E187 IonicContact CZ-OE1 2.68Å; R184-E187 VanDerWaalsContact CZ-OE1 3.26Å; R184-E187 IonicContact NH1-OE1 2.69Å; R184-E187 IonicContact NH2-OE1 2.97Å; R184-E187 PolarHBondContact NH2-OE1 3.47Å; R184-E187 PolarHBondContact O-N 2.83Å; K185-E187 VanDerWaalsContact C-N 3.27Å; K185-E187 PolarHBondContact O-N 3.45Å; E187-R190 PolarHBondContact O-N 2.95Å; E187-Q191 PolarHBondContact O-N 3.47Å; E187-Q191 VanDerWaalsContact O-N 3.14Å |
| 188 | I | 93.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 30% | 0.303 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.2 | -49.8 | -176.6 | -66.5 | 176.2 | 0 | 0 | 0 | 112.4 | L178 V183 R184 K185 R190 Q191 L192 | L178-I188 HydrophobicContact CD1-CG2 4.37Å; V183-I188 HydrophobicContact CB-CG1 4.36Å; V183-I188 HydrophobicContact CG1-CG1 4.06Å; R184-I188 PolarHBondContact O-N 2.9Å; K185-I188 PolarHBondContact O-N 3.42Å; I188-R190 VanDerWaalsContact C-N 3.26Å; I188-R190 PolarHBondContact O-N 3.4Å; I188-Q191 PolarHBondContact O-N 3.01Å; I188-Q191 VanDerWaalsContact O-N 3.12Å; I188-L192 WeakPolarHBondContact O-CB 3.33Å; I188-L192 PolarHBondContact O-N 3.36Å |
| 189 | P | 96.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 66.3 Ų | 66.3 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.6 | -38.3 | -177.3 | -25.1 | 34.7 | 0 | 0 | 0 | 112.8 | K185 Q193 | K185-P189 WeakPolarHBondContact O-CD 3.44Å; P189-Q193 WeakPolarHBondContact O-CB 3.48Å; P189-Q193 PolarHBondContact O-N 2.89Å |
| 190 | R | 93.5 | Very high | 94.6 | Very high | 93 Ų | 93 | 65 Ų | 65 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 177.6 | -179.3 | -165.7 | 65.9 | 83.8 | -11.6 | 111.3 | E116 E187 I188 Y194 | E116-R190 IonicContact OE1-CZ 2.75Å; E116-R190 IonicContact OE1-NH1 3.7Å; E116-R190 IonicContact OE1-NH2 3.26Å; E116-R190 PolarHBondContact OE1-NH2 3.38Å; E116-R190 IonicContact OE2-NH2 2.61Å; E187-R190 PolarHBondContact O-N 2.95Å; I188-R190 VanDerWaalsContact C-N 3.26Å; I188-R190 PolarHBondContact O-N 3.4Å; R190-Y194 PolarHBondContact O-N 3.38Å |
| 191 | Q | 94.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -42.4 | -179.2 | -64.4 | -167.9 | 29.7 | 0 | 0 | 111 | L178 E187 I188 Q193 Y194 I195 | L178-Q191 HydrophobicContact CD2-CB 3.84Å; L178-Q191 HydrophobicContact CD2-CG 4.44Å; E187-Q191 PolarHBondContact O-N 3.47Å; E187-Q191 VanDerWaalsContact O-N 3.14Å; I188-Q191 PolarHBondContact O-N 3.01Å; I188-Q191 VanDerWaalsContact O-N 3.12Å; Q191-Q193 PolarHBondContact O-N 3.03Å; Q191-Y194 WeakPolarHBondContact O-CB 3.5Å; Q191-Y194 PolarHBondContact O-N 2.91Å; Q191-Y194 VanDerWaalsContact O-N 3.14Å; Q191-I195 VanDerWaalsContact O-CG1 3.32Å; Q191-I195 WeakPolarHBondContact O-CG1 3.49Å; Q191-I195 PolarHBondContact O-N 3.49Å |
| 192 | L | 96.5 | Very high | 95.2 | Very high | 72 Ų | 72 | 62.1 Ų | 62.1 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.3 | -174.5 | 62.5 | 0 | 0 | 0 | 111.7 | L175 I188 Y194 I195 C196 | L175-L192 HydrophobicContact CD2-CD1 3.44Å; L175-L192 VanDerWaalsContact CD2-CD1 3.44Å; I188-L192 WeakPolarHBondContact O-CB 3.33Å; I188-L192 PolarHBondContact O-N 3.36Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 2.74Å; L192-I195 PolarHBondContact O-N 3.01Å; L192-C196 WeakPolarHBondContact O-CB 3.23Å; L192-C196 PolarHBondContact O-N 3.33Å; L192-C196 PolarHBondContact O-SG 2.88Å |
| 193 | Q | 95.8 | Very high | 95.6 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 42% | 0.416 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 175.5 | -174.7 | 178.3 | 18.1 | 0 | 0 | 111.6 | P189 Q191 L197 W305 | P189-Q193 WeakPolarHBondContact O-CB 3.48Å; P189-Q193 PolarHBondContact O-N 2.89Å; Q191-Q193 PolarHBondContact O-N 3.03Å; Q193-L197 HydrophobicContact CG-CD1 4.3Å; Q193-L197 VanDerWaalsContact O-CG 3.25Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 3.38Å; Q193-W305 HydrophobicContact CG-CH2 4.46Å; Q193-W305 HydrophobicContact CG-CZ2 4.44Å |
| 194 | Y | 94.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 178.8 | -167.1 | -115.6 | 0 | 0 | 0 | 112 | W171 R190 Q191 L192 L197 Y198 E225 | W171-Y194 HydrophobicContact CH2-CD1 4.03Å; W171-Y194 AromaticContact CH2-CE1 3.64Å; W171-Y194 HydrophobicContact CH2-CE1 3.64Å; W171-Y194 AromaticContact CZ3-CD1 3.93Å; W171-Y194 HydrophobicContact CZ3-CD1 3.93Å; W171-Y194 HydrophobicContact CZ3-CE1 4.03Å; R190-Y194 PolarHBondContact O-N 3.38Å; Q191-Y194 WeakPolarHBondContact O-CB 3.5Å; Q191-Y194 PolarHBondContact O-N 2.91Å; Q191-Y194 VanDerWaalsContact O-N 3.14Å; L192-Y194 VanDerWaalsContact C-N 3.26Å; L192-Y194 PolarHBondContact O-N 2.74Å; Y194-L197 PolarHBondContact O-N 2.85Å; Y194-Y198 HydrophobicContact CD1-CD2 4.3Å; Y194-Y198 HydrophobicContact CD1-CE2 4.07Å; Y194-Y198 HydrophobicContact CD2-CE2 4.33Å; Y194-Y198 HydrophobicContact CE1-CD2 4.19Å; Y194-Y198 AromaticContact CE1-CE2 3.53Å; Y194-Y198 HydrophobicContact CE1-CE2 3.53Å; Y194-Y198 AromaticContact CE2-CE2 3.8Å; Y194-Y198 HydrophobicContact CE2-CE2 3.8Å; Y194-Y198 HydrophobicContact CG-CE2 4.46Å; Y194-Y198 AromaticContact CZ-CE2 3.38Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.36Å; Y194-Y198 PolarHBondContact O-N 3Å; Y194-Y198 PolarHBondContact OH-OH 3.39Å; Y194-E225 WeakPolarHBondContact OH-CG 3.21Å; Y194-E225 PolarHBondContact OH-OE2 3.21Å |
| 195 | I | 97.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 175.8 | -66.5 | 163.6 | 0 | 0 | 0 | 110.7 | W171 A174 L175 L178 Q191 L192 L197 Y198 L199 | W171-I195 HydrophobicContact CE3-CG1 4.21Å; W171-I195 HydrophobicContact CZ3-CG1 4.43Å; W171-I195 WeakPolarHBondContact O-CG2 3.41Å; A174-I195 HydrophobicContact CB-CD1 3.63Å; A174-I195 HydrophobicContact CB-CG1 3.84Å; L175-I195 HydrophobicContact CD2-CB 4.48Å; L175-I195 HydrophobicContact CD2-CD1 4.15Å; L175-I195 HydrophobicContact CD2-CG2 3.81Å; L175-I195 HydrophobicContact CG-CG2 4.07Å; L178-I195 HydrophobicContact CD1-CD1 4.19Å; L178-I195 HydrophobicContact CD2-CD1 4.35Å; L178-I195 HydrophobicContact CG-CD1 4.38Å; Q191-I195 VanDerWaalsContact O-CG1 3.32Å; Q191-I195 WeakPolarHBondContact O-CG1 3.49Å; Q191-I195 PolarHBondContact O-N 3.49Å; L192-I195 PolarHBondContact O-N 3.01Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 2.9Å; I195-Y198 PolarHBondContact O-N 3.45Å; I195-L199 HydrophobicContact CG2-CD1 3.84Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CG 3.46Å; I195-L199 PolarHBondContact O-N 3.37Å |
| 196 | C | 98.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 42% | 0.419 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 179.4 | -69.7 | 0 | 0 | 0 | 0 | 112.2 | L192 L199 L200 | L192-C196 WeakPolarHBondContact O-CB 3.23Å; L192-C196 PolarHBondContact O-N 3.33Å; L192-C196 PolarHBondContact O-SG 2.88Å; C196-L199 PolarHBondContact O-N 3.05Å; C196-L200 WeakPolarHBondContact O-CB 3.35Å; C196-L200 PolarHBondContact O-N 2.89Å |
| 197 | L | 97.8 | Very high | 96.6 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -43 | 177 | -75.6 | 170.6 | 0 | 0 | 0 | 111.7 | Q193 Y194 I195 H201 T302 W305 | Q193-L197 HydrophobicContact CG-CD1 4.3Å; Q193-L197 VanDerWaalsContact O-CG 3.25Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 3.38Å; Y194-L197 PolarHBondContact O-N 2.85Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 2.9Å; L197-H201 PolarHBondContact O-N 2.89Å; L197-H201 PolarHBondContact O-ND1 2.95Å; L197-T302 HydrophobicContact CD1-CG2 4.31Å; L197-T302 HydrophobicContact CD2-CG2 4.04Å; L197-W305 HydrophobicContact CD1-CE3 3.92Å; L197-W305 HydrophobicContact CD1-CH2 4.11Å; L197-W305 HydrophobicContact CD1-CZ3 3.49Å; L197-W305 VanDerWaalsContact CD1-CZ3 3.49Å |
| 198 | Y | 98.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -49.5 | 174.9 | -85.8 | -73.1 | 0 | 0 | 0 | 112.4 | W171 Y194 I195 L200 H201 I202 Q221 Y222 | W171-Y198 VanDerWaalsContact CD2-CB 3.46Å; W171-Y198 HydrophobicContact CD2-CD1 4.42Å; W171-Y198 AromaticContact CD2-CD2 3.78Å; W171-Y198 HydrophobicContact CD2-CD2 3.78Å; W171-Y198 AromaticContact CD2-CG 3.65Å; W171-Y198 HydrophobicContact CD2-CG 3.65Å; W171-Y198 AromaticContact CE2-CD1 3.64Å; W171-Y198 AromaticContact CE2-CD2 3.43Å; W171-Y198 VanDerWaalsContact CE2-CD2 3.43Å; W171-Y198 AromaticContact CE2-CE2 3.91Å; W171-Y198 AromaticContact CE2-CG 3.25Å; W171-Y198 AromaticContact CE3-CD2 3.84Å; W171-Y198 HydrophobicContact CE3-CD2 3.84Å; W171-Y198 HydrophobicContact CE3-CG 4.16Å; W171-Y198 HydrophobicContact CG-CG 4.17Å; W171-Y198 AromaticContact CH2-CD2 3.29Å; W171-Y198 HydrophobicContact CH2-CD2 3.29Å; W171-Y198 AromaticContact CH2-CE2 3.26Å; W171-Y198 HydrophobicContact CH2-CE2 3.26Å; W171-Y198 HydrophobicContact CH2-CG 4.04Å; W171-Y198 AromaticContact CZ2-CD1 3.81Å; W171-Y198 HydrophobicContact CZ2-CD1 3.81Å; W171-Y198 AromaticContact CZ2-CD2 3.19Å; W171-Y198 HydrophobicContact CZ2-CD2 3.19Å; W171-Y198 AromaticContact CZ2-CE1 3.85Å; W171-Y198 HydrophobicContact CZ2-CE1 3.85Å; W171-Y198 AromaticContact CZ2-CE2 3.2Å; W171-Y198 HydrophobicContact CZ2-CE2 3.2Å; W171-Y198 AromaticContact CZ2-CG 3.49Å; W171-Y198 HydrophobicContact CZ2-CG 3.49Å; W171-Y198 VanDerWaalsContact CZ2-CG 3.49Å; W171-Y198 AromaticContact CZ2-CZ 3.53Å; W171-Y198 AromaticContact CZ3-CD2 3.6Å; W171-Y198 HydrophobicContact CZ3-CD2 3.6Å; W171-Y198 HydrophobicContact CZ3-CE2 4.02Å; W171-Y198 HydrophobicContact CZ3-CG 4.33Å; W171-Y198 AromaticContact NE1-CD1 3.53Å; W171-Y198 AromaticContact NE1-CG 3.53Å; Y194-Y198 HydrophobicContact CD1-CD2 4.3Å; Y194-Y198 HydrophobicContact CD1-CE2 4.07Å; Y194-Y198 HydrophobicContact CD2-CE2 4.33Å; Y194-Y198 HydrophobicContact CE1-CD2 4.19Å; Y194-Y198 AromaticContact CE1-CE2 3.53Å; Y194-Y198 HydrophobicContact CE1-CE2 3.53Å; Y194-Y198 AromaticContact CE2-CE2 3.8Å; Y194-Y198 HydrophobicContact CE2-CE2 3.8Å; Y194-Y198 HydrophobicContact CG-CE2 4.46Å; Y194-Y198 AromaticContact CZ-CE2 3.38Å; Y194-Y198 WeakPolarHBondContact O-CD2 3.36Å; Y194-Y198 PolarHBondContact O-N 3Å; Y194-Y198 PolarHBondContact OH-OH 3.39Å; I195-Y198 PolarHBondContact O-N 3.45Å; Y198-L200 VanDerWaalsContact C-N 3.26Å; Y198-L200 PolarHBondContact O-N 2.86Å; Y198-H201 PolarHBondContact O-N 3.45Å; Y198-I202 HydrophobicContact CD1-CD1 4.31Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 WeakPolarHBondContact O-CD1 3.28Å; Y198-I202 WeakPolarHBondContact O-CG1 3.37Å; Y198-I202 PolarHBondContact O-N 3.46Å; Y198-Q221 HydrophobicContact CE1-CG 3.9Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.22Å; Y198-Q221 PolarHBondContact OH-NE2 2.93Å; Y198-Q221 VanDerWaalsContact OH-NE2 3.12Å; Y198-Y222 HydrophobicContact CD1-CE1 4.12Å; Y198-Y222 HydrophobicContact CE1-CD1 4.1Å; Y198-Y222 AromaticContact CE1-CE1 3.42Å; Y198-Y222 HydrophobicContact CE1-CE1 3.42Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.42Å |
| 199 | L | 98.7 | Very high | 97 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 178.3 | -70 | 173.6 | 0 | 0 | 0 | 111.2 | L168 W171 L172 I195 C196 S203 | L168-L199 HydrophobicContact CD2-CD2 4.17Å; W171-L199 HydrophobicContact CB-CD2 3.56Å; W171-L199 HydrophobicContact CB-CG 3.87Å; L172-L199 HydrophobicContact CD2-CD1 3.86Å; L172-L199 HydrophobicContact CD2-CD2 4.08Å; L172-L199 HydrophobicContact CG-CD1 4.45Å; L172-L199 HydrophobicContact CG-CD2 3.83Å; I195-L199 HydrophobicContact CG2-CD1 3.84Å; I195-L199 HydrophobicContact CG2-CG 4.36Å; I195-L199 WeakPolarHBondContact O-CG 3.46Å; I195-L199 PolarHBondContact O-N 3.37Å; C196-L199 PolarHBondContact O-N 3.05Å; L199-S203 WeakPolarHBondContact O-CB 3.49Å; L199-S203 PolarHBondContact O-N 3.48Å; L199-S203 PolarHBondContact O-OG 3.36Å |
| 200 | L | 98.4 | Very high | 97 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.1 | -54.6 | 176.9 | 178.4 | 65.5 | 0 | 0 | 0 | 111.6 | C196 Y198 S203 V204 V298 | C196-L200 WeakPolarHBondContact O-CB 3.35Å; C196-L200 PolarHBondContact O-N 2.89Å; Y198-L200 VanDerWaalsContact C-N 3.26Å; Y198-L200 PolarHBondContact O-N 2.86Å; L200-S203 PolarHBondContact O-N 2.93Å; L200-V204 HydrophobicContact CD1-CG2 4.01Å; L200-V204 HydrophobicContact CG-CG2 4.46Å; L200-V204 WeakPolarHBondContact O-CB 3.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.38Å; L200-V204 PolarHBondContact O-N 2.83Å; L200-V298 HydrophobicContact CD2-CG1 3.96Å |
| 201 | H | 98.4 | Very high | 97 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 21% | 0.213 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.2 | -39.6 | -174.4 | -71.8 | 73.6 | 0 | 0 | 0 | 112.4 | L197 Y198 A205 T302 | L197-H201 PolarHBondContact O-N 2.89Å; L197-H201 PolarHBondContact O-ND1 2.95Å; Y198-H201 PolarHBondContact O-N 3.45Å; H201-A205 WeakPolarHBondContact O-CB 3.18Å; H201-A205 PolarHBondContact O-N 2.81Å; H201-T302 PolarHBondContact CE1-OG1 2.77Å; H201-T302 PolarHBondContact NE2-OG1 3.46Å |
| 202 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 176.7 | -61.6 | 163.3 | 0 | 0 | 0 | 109.9 | Y164 Q167 L168 W171 Y198 A205 Y206 L218 | Y164-I202 HydrophobicContact CD1-CG2 3.69Å; Y164-I202 HydrophobicContact CE1-CG2 4.22Å; Q167-I202 HydrophobicContact CB-CD1 3.96Å; Q167-I202 HydrophobicContact CB-CG2 4.29Å; L168-I202 HydrophobicContact CD1-CG2 4.42Å; L168-I202 HydrophobicContact CD2-CB 3.84Å; L168-I202 HydrophobicContact CD2-CG2 3.55Å; L168-I202 HydrophobicContact CG-CB 4.46Å; L168-I202 HydrophobicContact CG-CG2 3.63Å; W171-I202 HydrophobicContact CG-CD1 4.38Å; Y198-I202 HydrophobicContact CD1-CD1 4.31Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 WeakPolarHBondContact O-CD1 3.28Å; Y198-I202 WeakPolarHBondContact O-CG1 3.37Å; Y198-I202 PolarHBondContact O-N 3.46Å; I202-A205 PolarHBondContact O-N 3.25Å; I202-Y206 WeakPolarHBondContact O-CB 3.42Å; I202-Y206 PolarHBondContact O-N 3.34Å; I202-L218 HydrophobicContact CD1-CD2 4.28Å; I202-L218 HydrophobicContact CG1-CD1 4.05Å; I202-L218 HydrophobicContact CG1-CD2 3.73Å; I202-L218 HydrophobicContact CG1-CG 4.5Å |
| 203 | S | 98.2 | Very high | 97 | Very high | 38 Ų | 38 | 32.5 Ų | 32.5 | 27% | 0.266 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.5 | -43 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | L168 L199 L200 A205 Y206 L207 | L168-S203 WeakPolarHBondContact CD2-OG 3.37Å; L199-S203 WeakPolarHBondContact O-CB 3.49Å; L199-S203 PolarHBondContact O-N 3.48Å; L199-S203 PolarHBondContact O-OG 3.36Å; L200-S203 PolarHBondContact O-N 2.93Å; S203-A205 PolarHBondContact O-N 3.41Å; S203-Y206 PolarHBondContact O-N 2.93Å; S203-L207 VanDerWaalsContact O-CB 3.27Å; S203-L207 WeakPolarHBondContact O-CB 3.25Å; S203-L207 VanDerWaalsContact O-CG 3.25Å; S203-L207 WeakPolarHBondContact O-CG 3.46Å; S203-L207 PolarHBondContact O-N 3.41Å |
| 204 | V | 97.7 | Very high | 97.1 | Very high | 44 Ų | 44 | 28.6 Ų | 28.6 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61 | -45.6 | 176.9 | 166.8 | 0 | 0 | 0 | 0 | 110.7 | L200 Y206 L208 V295 | L200-V204 HydrophobicContact CD1-CG2 4.01Å; L200-V204 HydrophobicContact CG-CG2 4.46Å; L200-V204 WeakPolarHBondContact O-CB 3.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.38Å; L200-V204 PolarHBondContact O-N 2.83Å; V204-Y206 VanDerWaalsContact C-N 3.33Å; V204-Y206 PolarHBondContact O-N 3.3Å; V204-L208 HydrophobicContact CG1-CD1 3.77Å; V204-L208 HydrophobicContact CG1-CG 4.43Å; V204-L208 VanDerWaalsContact O-CB 3.25Å; V204-L208 WeakPolarHBondContact O-CB 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.49Å; V204-L208 VanDerWaalsContact O-N 3.09Å; V204-V295 HydrophobicContact CG1-CG2 4Å |
| 205 | A | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y164 H201 I202 S203 L210 S211 | Y164-A205 HydrophobicContact CE1-CB 3.97Å; H201-A205 WeakPolarHBondContact O-CB 3.18Å; H201-A205 PolarHBondContact O-N 2.81Å; I202-A205 PolarHBondContact O-N 3.25Å; S203-A205 PolarHBondContact O-N 3.41Å; A205-L210 CarbonylContact O-C 3.53Å; A205-L210 PolarHBondContact O-N 3.08Å; A205-S211 PolarHBondContact O-N 3.21Å |
| 206 | Y | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.7 | -50.8 | -179.5 | -173.2 | -116.1 | 0 | 0 | 0 | 112.7 | Y70 D74 L156 K161 Y164 L165 I202 S203 V204 N209 | Y70-Y206 WeakPolarHBondContact CA-OH 3.35Å; Y70-Y206 VanDerWaalsContact CB-CZ 3.48Å; Y70-Y206 WeakPolarHBondContact CB-OH 3.21Å; D74-Y206 PolarHBondContact OD2-OH 3.28Å; L156-Y206 HydrophobicContact CD1-CD2 4.24Å; L156-Y206 HydrophobicContact CD1-CE2 3.69Å; K161-Y206 VanDerWaalsContact CE-OH 3.24Å; K161-Y206 WeakPolarHBondContact CE-OH 3.38Å; K161-Y206 HydrophobicContact CG-CE2 4.41Å; Y164-Y206 HydrophobicContact CD1-CD2 4.23Å; Y164-Y206 HydrophobicContact CD1-CG 4.48Å; Y164-Y206 HydrophobicContact CD2-CD2 4.38Å; Y164-Y206 AromaticContact CG-CD2 3.88Å; Y164-Y206 HydrophobicContact CG-CD2 3.88Å; L165-Y206 HydrophobicContact CD2-CE1 4.07Å; I202-Y206 WeakPolarHBondContact O-CB 3.42Å; I202-Y206 PolarHBondContact O-N 3.34Å; S203-Y206 PolarHBondContact O-N 2.93Å; V204-Y206 VanDerWaalsContact C-N 3.33Å; V204-Y206 PolarHBondContact O-N 3.3Å; Y206-N209 PolarHBondContact O-N 3.15Å |
| 207 | L | 96.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 25.7 Ų | 25.7 | 45% | 0.445 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -75.1 | -29.7 | -173.6 | -64.2 | 174.1 | 0 | 0 | 0 | 113.1 | Y70 S203 N209 F286 | Y70-L207 HydrophobicContact CD2-CD2 4.03Å; Y70-L207 HydrophobicContact CE2-CD2 4.25Å; S203-L207 VanDerWaalsContact O-CB 3.27Å; S203-L207 WeakPolarHBondContact O-CB 3.25Å; S203-L207 VanDerWaalsContact O-CG 3.25Å; S203-L207 WeakPolarHBondContact O-CG 3.46Å; S203-L207 PolarHBondContact O-N 3.41Å; L207-N209 VanDerWaalsContact C-N 3.3Å; L207-F286 WeakPolarHBondContact O-CE2 3.26Å |
| 208 | L | 96.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 24.6 Ų | 24.6 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 10.6 | 177.2 | -57.6 | -176.2 | 0 | 0 | 0 | 113.4 | Y151 V204 L210 F286 I291 V295 | Y151-L208 WeakPolarHBondContact CE2-O 3.35Å; Y151-L208 PolarHBondContact OH-O 3.25Å; V204-L208 HydrophobicContact CG1-CD1 3.77Å; V204-L208 HydrophobicContact CG1-CG 4.43Å; V204-L208 VanDerWaalsContact O-CB 3.25Å; V204-L208 WeakPolarHBondContact O-CB 3.32Å; V204-L208 WeakPolarHBondContact O-CG 3.32Å; V204-L208 PolarHBondContact O-N 3.49Å; V204-L208 VanDerWaalsContact O-N 3.09Å; L208-L210 HydrophobicContact CB-CD1 4.11Å; L208-L210 HydrophobicContact CB-CG 4.18Å; L208-L210 HydrophobicContact CD1-CD1 4.4Å; L208-L210 PolarHBondContact O-N 3.39Å; L208-F286 HydrophobicContact CB-CD2 4.43Å; L208-F286 HydrophobicContact CD2-CB 4.09Å; L208-F286 HydrophobicContact CD2-CD1 4.14Å; L208-F286 HydrophobicContact CD2-CD2 4.13Å; L208-F286 HydrophobicContact CD2-CG 3.86Å; L208-I291 HydrophobicContact CD1-CG2 3.8Å; L208-V295 HydrophobicContact CD1-CG2 3.7Å |
| 209 | N | 96.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 31.6 | -177.1 | -65 | -45.9 | 0 | 0 | 0 | 114 | Y151 P152 H153 S154 Y206 L207 S211 G284 | Y151-N209 HydrophobicContact CE2-CB 4.28Å; Y151-N209 WeakPolarHBondContact CE2-O 3.39Å; P152-N209 HydrophobicContact CB-CB 3.98Å; H153-N209 PolarHBondContact N-O 3.2Å; S154-N209 PolarHBondContact OG-ND2 3.07Å; Y206-N209 PolarHBondContact O-N 3.15Å; L207-N209 VanDerWaalsContact C-N 3.3Å; N209-S211 PolarHBondContact O-N 3.41Å; N209-G284 PolarHBondContact ND2-O 3.49Å |
| 210 | L | 95.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | trans | -94 | 33.1 | 175 | -64.4 | 170.8 | 0 | 0 | 0 | 111 | Y151 A205 L208 R212 V213 G214 L271 V295 | Y151-L210 HydrophobicContact CD2-CD2 3.96Å; Y151-L210 HydrophobicContact CE2-CD2 3.54Å; Y151-L210 HydrophobicContact CE2-CG 4.13Å; A205-L210 CarbonylContact O-C 3.53Å; A205-L210 PolarHBondContact O-N 3.08Å; L208-L210 HydrophobicContact CB-CD1 4.11Å; L208-L210 HydrophobicContact CB-CG 4.18Å; L208-L210 HydrophobicContact CD1-CD1 4.4Å; L208-L210 PolarHBondContact O-N 3.39Å; L210-R212 PolarHBondContact O-N 3.27Å; L210-V213 PolarHBondContact O-N 3.49Å; L210-G214 PolarHBondContact O-N 3.22Å; L210-L271 HydrophobicContact CD2-CD1 3.65Å; L210-V295 HydrophobicContact CD1-CG1 4.28Å; L210-V295 HydrophobicContact CD1-CG2 4.45Å | ||
| 211 | S | 95 | Very high | 97 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.8 | -37.8 | -165.4 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | L156 Y164 A205 N209 L215 | L156-S211 VanDerWaalsContact CD2-OG 3.26Å; L156-S211 WeakPolarHBondContact CD2-OG 3.36Å; Y164-S211 WeakPolarHBondContact OH-CA 3.3Å; Y164-S211 PolarHBondContact OH-O 3.37Å; A205-S211 PolarHBondContact O-N 3.21Å; N209-S211 PolarHBondContact O-N 3.41Å; S211-L215 VanDerWaalsContact O-CB 3.26Å; S211-L215 WeakPolarHBondContact O-CB 3.49Å; S211-L215 PolarHBondContact O-N 2.93Å |
| 212 | R | 95.4 | Very high | 97 | Very high | 53 Ų | 53 | 20.8 Ų | 20.8 | 20% | 0.2 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -52.4 | 179 | -61.3 | -172.6 | -171.7 | 164.9 | 1.7 | 112 | Y140 S146 L147 E149 H153 L210 L215 V216 | Y140-R212 HydrophobicContact CD1-CG 4.43Å; Y140-R212 HydrophobicContact CD2-CB 4.3Å; Y140-R212 HydrophobicContact CD2-CG 4.32Å; Y140-R212 HydrophobicContact CE1-CG 3.96Å; Y140-R212 HydrophobicContact CE2-CB 4.24Å; Y140-R212 HydrophobicContact CE2-CG 3.86Å; S146-R212 WeakPolarHBondContact O-CD 3.43Å; S146-R212 PolarHBondContact O-NH1 3.4Å; L147-R212 HydrophobicContact CD2-CB 4.3Å; E149-R212 PolarHBondContact O-NH1 3.21Å; H153-R212 VanDerWaalsContact CD2-CZ 3.49Å; H153-R212 VanDerWaalsContact CE1-CD 3.42Å; H153-R212 WeakPolarHBondContact CE1-CD 3.41Å; H153-R212 WeakPolarHBondContact ND1-CG 3.34Å; H153-R212 PolarHBondContact NE2-NH1 3.37Å; L210-R212 PolarHBondContact O-N 3.27Å; R212-L215 PolarHBondContact O-N 3.4Å; R212-V216 PolarHBondContact O-N 3.46Å |
| 213 | V | 95.8 | Very high | 97 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.036 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 175.4 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | L147 L210 L215 V216 L217 M263 A266 | L147-V213 HydrophobicContact CB-CG2 3.85Å; L147-V213 WeakPolarHBondContact O-CG2 3.47Å; L210-V213 PolarHBondContact O-N 3.49Å; V213-L215 PolarHBondContact O-N 3.26Å; V213-V216 PolarHBondContact O-N 3.4Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 2.83Å; V213-M263 HydrophobicContact CG1-SD 3.59Å; V213-M263 VanDerWaalsContact CG1-SD 3.59Å; V213-A266 HydrophobicContact CG2-CB 3.55Å |
| 214 | G | 96.6 | Very high | 97 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 8% | 0.082 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.7 | -38.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y164 L210 L217 L218 | Y164-G214 VanDerWaalsContact OH-CA 3.31Å; Y164-G214 WeakPolarHBondContact OH-CA 3.48Å; L210-G214 PolarHBondContact O-N 3.22Å; G214-L217 PolarHBondContact O-N 3.43Å; G214-L218 WeakPolarHBondContact O-CB 3.48Å; G214-L218 VanDerWaalsContact O-CG 3.26Å; G214-L218 WeakPolarHBondContact O-CG 3.25Å; G214-L218 PolarHBondContact O-N 2.91Å |
| 215 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 179.8 | -173.6 | 71 | 0 | 0 | 0 | 111.6 | I134 L135 Y140 F163 Y164 S211 R212 V213 L217 L218 F219 | I134-L215 HydrophobicContact CB-CD2 3.99Å; I134-L215 HydrophobicContact CG2-CD2 3.41Å; I134-L215 VanDerWaalsContact CG2-CD2 3.41Å; L135-L215 HydrophobicContact CD2-CD2 3.85Å; L135-L215 HydrophobicContact CD2-CG 4.06Å; L135-L215 HydrophobicContact CG-CD2 4.22Å; L135-L215 HydrophobicContact CG-CG 4.38Å; Y140-L215 HydrophobicContact CD2-CD2 4.04Å; Y140-L215 HydrophobicContact CE2-CD2 3.91Å; F163-L215 HydrophobicContact CD1-CD1 3.44Å; F163-L215 VanDerWaalsContact CD1-CD1 3.44Å; F163-L215 HydrophobicContact CE1-CD1 3.4Å; F163-L215 HydrophobicContact CG-CD1 4.18Å; F163-L215 HydrophobicContact CZ-CD1 4.1Å; Y164-L215 PolarHBondContact OH-N 3.4Å; S211-L215 VanDerWaalsContact O-CB 3.26Å; S211-L215 WeakPolarHBondContact O-CB 3.49Å; S211-L215 PolarHBondContact O-N 2.93Å; R212-L215 PolarHBondContact O-N 3.4Å; V213-L215 PolarHBondContact O-N 3.26Å; L215-L217 VanDerWaalsContact C-N 3.33Å; L215-L217 PolarHBondContact O-N 2.88Å; L215-L218 PolarHBondContact O-N 3.28Å; L215-F219 WeakPolarHBondContact O-CB 3.27Å; L215-F219 PolarHBondContact O-N 3.42Å |
| 216 | V | 97 | Very high | 97 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 6% | 0.061 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L135 L147 R212 V213 F219 L220 L262 | L135-V216 HydrophobicContact CD2-CB 4.48Å; L135-V216 HydrophobicContact CD2-CG2 3.52Å; L147-V216 HydrophobicContact CD2-CG2 3.76Å; R212-V216 PolarHBondContact O-N 3.46Å; V213-V216 PolarHBondContact O-N 3.4Å; V216-F219 PolarHBondContact O-N 2.87Å; V216-L220 HydrophobicContact CG1-CD1 4.2Å; V216-L220 HydrophobicContact CG1-CG 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.33Å; V216-L220 PolarHBondContact O-N 3.09Å; V216-L262 HydrophobicContact CG1-CD1 3.79Å |
| 217 | L | 97.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 22 Ų | 22 | 13% | 0.131 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | 179.5 | -64 | -173.4 | 0 | 0 | 0 | 112.8 | V213 G214 L215 L220 Q221 T259 L262 M263 | V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 HydrophobicContact CG1-CG 4.16Å; V213-L217 WeakPolarHBondContact O-CG 3.42Å; V213-L217 PolarHBondContact O-N 2.83Å; G214-L217 PolarHBondContact O-N 3.43Å; L215-L217 VanDerWaalsContact C-N 3.33Å; L215-L217 PolarHBondContact O-N 2.88Å; L217-L220 PolarHBondContact O-N 3.41Å; L217-Q221 VanDerWaalsContact O-CB 3.29Å; L217-Q221 WeakPolarHBondContact O-CB 3.5Å; L217-Q221 PolarHBondContact O-N 2.86Å; L217-T259 HydrophobicContact CD2-CG2 3.91Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L217-L262 HydrophobicContact CD2-CD1 4.38Å; L217-M263 HydrophobicContact CD1-CG 3.56Å; L217-M263 HydrophobicContact CD1-SD 3.37Å; L217-M263 WeakPolarHBondContact CD1-SD 3.08Å |
| 218 | L | 98.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 6% | 0.063 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.6 | -76.4 | 169.8 | 0 | 0 | 0 | 111.3 | F163 Y164 I202 G214 L215 Q221 Y222 | F163-L218 HydrophobicContact CE1-CD1 4.04Å; Y164-L218 HydrophobicContact CE1-CD1 4.03Å; I202-L218 HydrophobicContact CD1-CD2 4.28Å; I202-L218 HydrophobicContact CG1-CD1 4.05Å; I202-L218 HydrophobicContact CG1-CD2 3.73Å; I202-L218 HydrophobicContact CG1-CG 4.5Å; G214-L218 WeakPolarHBondContact O-CB 3.48Å; G214-L218 VanDerWaalsContact O-CG 3.26Å; G214-L218 WeakPolarHBondContact O-CG 3.25Å; G214-L218 PolarHBondContact O-N 2.91Å; L215-L218 PolarHBondContact O-N 3.28Å; L218-Q221 PolarHBondContact O-N 3.49Å; L218-Y222 HydrophobicContact CB-CE2 4.4Å; L218-Y222 HydrophobicContact CD2-CE1 4.47Å; L218-Y222 HydrophobicContact CD2-CE2 4.49Å; L218-Y222 WeakPolarHBondContact O-CB 3.42Å; L218-Y222 WeakPolarHBondContact O-CD2 3.21Å; L218-Y222 PolarHBondContact O-N 2.86Å |
| 219 | F | 98.2 | Very high | 96.9 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 15% | 0.154 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.1 | -52.3 | 174 | 168.6 | -109.6 | 0 | 0 | 0 | 111.5 | S131 F132 L135 L215 V216 Q221 Y222 V223 | S131-F219 WeakPolarHBondContact OG-CD2 3.3Å; F132-F219 HydrophobicContact CB-CD2 4.12Å; F132-F219 HydrophobicContact CB-CE2 3.68Å; F132-F219 HydrophobicContact CB-CZ 4.36Å; F132-F219 HydrophobicContact CD2-CE1 4.38Å; F132-F219 AromaticContact CD2-CE2 3.91Å; F132-F219 HydrophobicContact CD2-CE2 3.91Å; F132-F219 AromaticContact CD2-CZ 3.7Å; F132-F219 HydrophobicContact CD2-CZ 3.7Å; F132-F219 HydrophobicContact CE2-CZ 4.41Å; F132-F219 HydrophobicContact CG-CE2 4.13Å; F132-F219 HydrophobicContact CG-CZ 4.35Å; L135-F219 HydrophobicContact CD1-CB 3.64Å; L135-F219 HydrophobicContact CD1-CD1 3.7Å; L135-F219 HydrophobicContact CD1-CD2 4.34Å; L135-F219 HydrophobicContact CD1-CE1 4.46Å; L135-F219 HydrophobicContact CD1-CG 3.62Å; L215-F219 WeakPolarHBondContact O-CB 3.27Å; L215-F219 PolarHBondContact O-N 3.42Å; V216-F219 PolarHBondContact O-N 2.87Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 2.93Å; F219-Y222 PolarHBondContact O-N 3.17Å; F219-V223 HydrophobicContact CD2-CG2 3.88Å; F219-V223 HydrophobicContact CE1-CG2 4.5Å; F219-V223 HydrophobicContact CE2-CG2 3.43Å; F219-V223 VanDerWaalsContact CE2-CG2 3.43Å; F219-V223 HydrophobicContact CZ-CG2 3.8Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.46Å |
| 220 | L | 97.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 17% | 0.168 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.7 | -45.9 | 178.4 | -73.9 | 178.8 | 0 | 0 | 0 | 111.8 | V216 L217 S224 T255 A258 L262 | V216-L220 HydrophobicContact CG1-CD1 4.2Å; V216-L220 HydrophobicContact CG1-CG 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.33Å; V216-L220 PolarHBondContact O-N 3.09Å; L217-L220 PolarHBondContact O-N 3.41Å; L220-S224 WeakPolarHBondContact O-CB 3.23Å; L220-S224 PolarHBondContact O-N 3.49Å; L220-T255 HydrophobicContact CB-CG2 3.87Å; L220-T255 WeakPolarHBondContact O-CG2 3.4Å; L220-A258 HydrophobicContact CD1-CB 4.16Å; L220-L262 HydrophobicContact CD1-CD1 3.7Å |
| 221 | Q | 97.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 9% | 0.089 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.7 | 175.6 | 61.6 | 26.2 | 0 | 0 | 111.6 | Y198 L217 L218 F219 S224 E225 | Y198-Q221 HydrophobicContact CE1-CG 3.9Å; Y198-Q221 WeakPolarHBondContact OH-CG 3.22Å; Y198-Q221 PolarHBondContact OH-NE2 2.93Å; Y198-Q221 VanDerWaalsContact OH-NE2 3.12Å; L217-Q221 VanDerWaalsContact O-CB 3.29Å; L217-Q221 WeakPolarHBondContact O-CB 3.5Å; L217-Q221 PolarHBondContact O-N 2.86Å; L218-Q221 PolarHBondContact O-N 3.49Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 2.93Å; Q221-S224 WeakPolarHBondContact O-CB 3.18Å; Q221-S224 PolarHBondContact O-N 3.21Å; Q221-E225 PolarHBondContact NE2-OE1 3.41Å; Q221-E225 WeakPolarHBondContact O-CG 3.32Å; Q221-E225 PolarHBondContact O-N 3.24Å |
| 222 | Y | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | -176.6 | -69 | -20.4 | 0 | 0 | 0 | 113.2 | F123 H124 S128 F163 Q167 W171 Y198 L218 F219 S224 E225 L226 | F123-Y222 HydrophobicContact CE1-CE1 4.04Å; F123-Y222 AromaticContact CE1-CZ 3.93Å; H124-Y222 AromaticContact CE1-CD1 3.43Å; H124-Y222 VanDerWaalsContact CE1-CD1 3.43Å; H124-Y222 WeakPolarHBondContact CE1-CD1 3.35Å; H124-Y222 AromaticContact CE1-CE1 3.73Å; H124-Y222 AromaticContact ND1-CD1 3.13Å; H124-Y222 WeakPolarHBondContact ND1-CD1 3.41Å; H124-Y222 AromaticContact ND1-CE1 3.71Å; H124-Y222 AromaticContact ND1-CG 3.65Å; S128-Y222 VanDerWaalsContact OG-C 3.31Å; S128-Y222 WeakPolarHBondContact OG-CB 3.28Å; F163-Y222 HydrophobicContact CZ-CE2 4.23Å; Q167-Y222 PolarHBondContact OE1-OH 2.81Å; W171-Y222 HydrophobicContact CZ2-CE1 4.37Å; W171-Y222 PolarHBondContact NE1-OH 3.05Å; W171-Y222 VanDerWaalsContact NE1-OH 3.1Å; Y198-Y222 HydrophobicContact CD1-CE1 4.12Å; Y198-Y222 HydrophobicContact CE1-CD1 4.1Å; Y198-Y222 AromaticContact CE1-CE1 3.42Å; Y198-Y222 HydrophobicContact CE1-CE1 3.42Å; Y198-Y222 VanDerWaalsContact CE1-CE1 3.42Å; L218-Y222 HydrophobicContact CB-CE2 4.4Å; L218-Y222 HydrophobicContact CD2-CE1 4.47Å; L218-Y222 HydrophobicContact CD2-CE2 4.49Å; L218-Y222 WeakPolarHBondContact O-CB 3.42Å; L218-Y222 WeakPolarHBondContact O-CD2 3.21Å; L218-Y222 PolarHBondContact O-N 2.86Å; F219-Y222 PolarHBondContact O-N 3.17Å; Y222-S224 VanDerWaalsContact C-N 3.31Å; Y222-S224 PolarHBondContact O-N 3.41Å; Y222-E225 PolarHBondContact O-N 3.09Å; Y222-L226 WeakPolarHBondContact O-CB 3.31Å; Y222-L226 PolarHBondContact O-N 2.99Å |
| 223 | V | 98.2 | Very high | 96.7 | Very high | 58 Ų | 58 | 22.5 Ų | 22.5 | 35% | 0.352 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 174.1 | 171.1 | 0 | 0 | 0 | 0 | 111 | S128 F219 L226 G227 | S128-V223 PolarHBondContact OG-N 2.86Å; F219-V223 HydrophobicContact CD2-CG2 3.88Å; F219-V223 HydrophobicContact CE1-CG2 4.5Å; F219-V223 HydrophobicContact CE2-CG2 3.43Å; F219-V223 VanDerWaalsContact CE2-CG2 3.43Å; F219-V223 HydrophobicContact CZ-CG2 3.8Å; F219-V223 WeakPolarHBondContact O-CG2 3.35Å; F219-V223 PolarHBondContact O-N 3.46Å; V223-L226 PolarHBondContact O-N 3.43Å; V223-G227 PolarHBondContact O-N 3.24Å |
| 224 | S | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 178.1 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | L220 Q221 Y222 G227 F228 W248 F252 | L220-S224 WeakPolarHBondContact O-CB 3.23Å; L220-S224 PolarHBondContact O-N 3.49Å; Q221-S224 WeakPolarHBondContact O-CB 3.18Å; Q221-S224 PolarHBondContact O-N 3.21Å; Y222-S224 VanDerWaalsContact C-N 3.31Å; Y222-S224 PolarHBondContact O-N 3.41Å; S224-G227 PolarHBondContact O-N 2.87Å; S224-F228 PolarHBondContact O-N 3.12Å; S224-W248 VanDerWaalsContact O-CD1 3.27Å; S224-W248 PolarHBondContact O-NE1 3.34Å; S224-W248 VanDerWaalsContact O-NE1 3.15Å; S224-F252 WeakPolarHBondContact OG-CA 3.11Å |
| 225 | E | 97.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | 176.8 | -65.7 | -63.4 | 156.1 | 0 | 0 | 111.9 | Y194 Q221 Y222 G227 F228 H229 | Y194-E225 WeakPolarHBondContact OH-CG 3.21Å; Y194-E225 PolarHBondContact OH-OE2 3.21Å; Q221-E225 PolarHBondContact NE2-OE1 3.41Å; Q221-E225 WeakPolarHBondContact O-CG 3.32Å; Q221-E225 PolarHBondContact O-N 3.24Å; Y222-E225 PolarHBondContact O-N 3.09Å; E225-G227 VanDerWaalsContact C-N 3.31Å; E225-G227 PolarHBondContact O-N 3.29Å; E225-F228 WeakPolarHBondContact O-CB 3.12Å; E225-F228 PolarHBondContact O-N 2.98Å; E225-F228 VanDerWaalsContact O-N 3.13Å; E225-H229 PolarHBondContact O-CD2 3.02Å; E225-H229 PolarHBondContact O-N 3.3Å |
| 226 | L | 98 | Very high | 95.9 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 13% | 0.126 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57 | -47.2 | 172.6 | 177.5 | 61.4 | 0 | 0 | 0 | 110.9 | G121 H124 L125 Y222 V223 F228 H229 I230 | G121-L226 WeakPolarHBondContact O-CD1 3.45Å; H124-L226 HydrophobicContact CB-CB 3.97Å; H124-L226 HydrophobicContact CB-CD1 4.44Å; L125-L226 HydrophobicContact CB-CD1 3.83Å; L125-L226 HydrophobicContact CB-CD2 4.3Å; L125-L226 HydrophobicContact CD1-CD2 3.93Å; Y222-L226 WeakPolarHBondContact O-CB 3.31Å; Y222-L226 PolarHBondContact O-N 2.99Å; V223-L226 PolarHBondContact O-N 3.43Å; L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 PolarHBondContact O-N 2.89Å; L226-H229 PolarHBondContact O-N 3.03Å; L226-I230 HydrophobicContact CD1-CD1 3.74Å; L226-I230 HydrophobicContact CD1-CG1 3.99Å; L226-I230 HydrophobicContact CD2-CD1 4.41Å; L226-I230 HydrophobicContact CG-CD1 3.73Å; L226-I230 HydrophobicContact CG-CG1 4.35Å; L226-I230 WeakPolarHBondContact O-CB 3.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.21Å |
| 227 | G | 96.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V223 S224 E225 A231 | V223-G227 PolarHBondContact O-N 3.24Å; S224-G227 PolarHBondContact O-N 2.87Å; E225-G227 VanDerWaalsContact C-N 3.31Å; E225-G227 PolarHBondContact O-N 3.29Å; G227-A231 WeakPolarHBondContact O-CB 3.49Å; G227-A231 PolarHBondContact O-N 3.41Å |
| 228 | F | 95.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 34 Ų | 34 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -50.1 | 175.4 | 177 | -110.6 | 0 | 0 | 0 | 111.8 | S224 E225 L226 A231 R232 F245 W248 | S224-F228 PolarHBondContact O-N 3.12Å; E225-F228 WeakPolarHBondContact O-CB 3.12Å; E225-F228 PolarHBondContact O-N 2.98Å; E225-F228 VanDerWaalsContact O-N 3.13Å; L226-F228 VanDerWaalsContact C-N 3.28Å; L226-F228 PolarHBondContact O-N 2.89Å; F228-A231 PolarHBondContact O-N 3.32Å; F228-R232 WeakPolarHBondContact O-CB 3.49Å; F228-R232 PolarHBondContact O-N 2.89Å; F228-F245 HydrophobicContact CD2-CE1 4.32Å; F228-F245 HydrophobicContact CE2-CE1 4.09Å; F228-W248 HydrophobicContact CB-CD2 4.21Å; F228-W248 HydrophobicContact CB-CG 4.28Å; F228-W248 HydrophobicContact CB-CZ2 4.09Å; F228-W248 AromaticContact CD2-CD2 3.99Å; F228-W248 HydrophobicContact CD2-CD2 3.99Å; F228-W248 AromaticContact CD2-CE2 3.74Å; F228-W248 HydrophobicContact CD2-CE3 4.16Å; F228-W248 AromaticContact CD2-CH2 3.78Å; F228-W248 HydrophobicContact CD2-CH2 3.78Å; F228-W248 AromaticContact CD2-CZ2 3.62Å; F228-W248 HydrophobicContact CD2-CZ2 3.62Å; F228-W248 HydrophobicContact CD2-CZ3 4.06Å; F228-W248 HydrophobicContact CE2-CH2 4.22Å; F228-W248 HydrophobicContact CE2-CZ2 4.44Å; F228-W248 HydrophobicContact CE2-CZ3 4.46Å; F228-W248 HydrophobicContact CG-CZ2 4.12Å |
| 229 | H | 97.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.6 | -40.1 | -176 | -73.2 | -61.3 | 0 | 0 | 0 | 111.8 | S117 L120 H124 E225 L226 R232 L233 | S117-H229 VanDerWaalsContact CA-ND1 3.34Å; S117-H229 WeakPolarHBondContact CA-ND1 3.5Å; S117-H229 WeakPolarHBondContact CB-ND1 3.49Å; S117-H229 PolarHBondContact OG-ND1 2.74Å; S117-H229 VanDerWaalsContact OG-ND1 3.08Å; L120-H229 WeakPolarHBondContact CB-NE2 3.2Å; L120-H229 VanDerWaalsContact CD1-CE1 3.49Å; L120-H229 WeakPolarHBondContact CD1-CE1 3.43Å; H124-H229 AromaticContact CD2-CD2 3.75Å; E225-H229 PolarHBondContact O-CD2 3.02Å; E225-H229 PolarHBondContact O-N 3.3Å; L226-H229 PolarHBondContact O-N 3.03Å; H229-R232 PolarHBondContact O-N 3.13Å; H229-L233 WeakPolarHBondContact O-CB 3.26Å; H229-L233 WeakPolarHBondContact O-CG 3.25Å; H229-L233 PolarHBondContact O-N 3.17Å |
| 230 | I | 95.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 42% | 0.415 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 172.4 | -69.8 | 173.1 | 0 | 0 | 0 | 110.5 | L226 R232 L233 L234 | L226-I230 HydrophobicContact CD1-CD1 3.74Å; L226-I230 HydrophobicContact CD1-CG1 3.99Å; L226-I230 HydrophobicContact CD2-CD1 4.41Å; L226-I230 HydrophobicContact CG-CD1 3.73Å; L226-I230 HydrophobicContact CG-CG1 4.35Å; L226-I230 WeakPolarHBondContact O-CB 3.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.28Å; L226-I230 PolarHBondContact O-N 3.21Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 2.93Å; I230-L233 PolarHBondContact O-N 3Å; I230-L234 HydrophobicContact CG2-CD1 3.85Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 2.79Å |
| 231 | A | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G227 F228 Y235 M244 F245 | G227-A231 WeakPolarHBondContact O-CB 3.49Å; G227-A231 PolarHBondContact O-N 3.41Å; F228-A231 PolarHBondContact O-N 3.32Å; A231-Y235 VanDerWaalsContact O-CB 3.28Å; A231-Y235 WeakPolarHBondContact O-CB 3.49Å; A231-Y235 PolarHBondContact O-N 3.43Å; A231-M244 HydrophobicContact CB-CB 3.78Å; A231-F245 HydrophobicContact CB-CD1 4.02Å; A231-F245 HydrophobicContact CB-CE1 4.12Å; A231-F245 HydrophobicContact CB-CG 4.32Å |
| 232 | R | 93.8 | Very high | 91.7 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 179 | -173.6 | 163.1 | 174.1 | -146.2 | 10.5 | 113.2 | K113 E116 S117 F228 H229 I230 F236 F245 | K113-R232 VanDerWaalsContact CB-NH2 3.3Å; K113-R232 VanDerWaalsContact CG-NH2 3.26Å; E116-R232 IonicContact OE2-NH1 3.79Å; E116-R232 IonicContact OE2-NH2 3.47Å; S117-R232 VanDerWaalsContact OG-CD 3.25Å; S117-R232 WeakPolarHBondContact OG-CD 3.33Å; S117-R232 PolarHBondContact OG-NH1 2.7Å; F228-R232 WeakPolarHBondContact O-CB 3.49Å; F228-R232 PolarHBondContact O-N 2.89Å; H229-R232 PolarHBondContact O-N 3.13Å; I230-R232 VanDerWaalsContact C-N 3.26Å; I230-R232 PolarHBondContact O-N 2.93Å; R232-F236 HydrophobicContact CG-CD2 4.25Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.96Å; R232-F236 VanDerWaalsContact O-CD2 3.26Å; R232-F236 WeakPolarHBondContact O-CD2 3.32Å; R232-F236 WeakPolarHBondContact O-CG 3.44Å; R232-F236 PolarHBondContact O-N 3.49Å; R232-F236 VanDerWaalsContact O-N 3.13Å; R232-F245 HydrophobicContact CB-CE1 4.28Å; R232-F245 HydrophobicContact CB-CZ 4.03Å |
| 233 | L | 93.6 | Very high | 91.1 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 18% | 0.183 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 176.2 | -70.1 | 168.5 | 0 | 0 | 0 | 111.5 | F114 H229 I230 F236 T237 | F114-L233 HydrophobicContact CD1-CD2 4.21Å; F114-L233 HydrophobicContact CD2-CD2 3.61Å; F114-L233 HydrophobicContact CE1-CD2 4.1Å; F114-L233 HydrophobicContact CE2-CB 4.44Å; F114-L233 HydrophobicContact CE2-CD2 3.49Å; F114-L233 VanDerWaalsContact CE2-CD2 3.49Å; F114-L233 HydrophobicContact CG-CD2 3.96Å; F114-L233 HydrophobicContact CZ-CD2 3.73Å; H229-L233 WeakPolarHBondContact O-CB 3.26Å; H229-L233 WeakPolarHBondContact O-CG 3.25Å; H229-L233 PolarHBondContact O-N 3.17Å; I230-L233 PolarHBondContact O-N 3Å; L233-F236 PolarHBondContact O-N 2.88Å; L233-T237 PolarHBondContact O-N 3.43Å; L233-T237 VanDerWaalsContact O-N 3.17Å; L233-T237 PolarHBondContact O-OG1 3.31Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å |
| 234 | L | 91.8 | Very high | 90.7 | Very high | 62 Ų | 62 | 57.9 Ų | 57.9 | 33% | 0.325 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 176.2 | -69.4 | 176.6 | 0 | 0 | 0 | 111.5 | I230 F236 T237 D238 H241 M244 | I230-L234 HydrophobicContact CG2-CD1 3.85Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CB 3.32Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 2.79Å; L234-F236 VanDerWaalsContact C-N 3.3Å; L234-F236 PolarHBondContact O-N 3.42Å; L234-T237 WeakPolarHBondContact O-CB 3.32Å; L234-T237 PolarHBondContact O-N 3.04Å; L234-D238 PolarHBondContact O-N 3.48Å; L234-H241 HydrophobicContact CB-CB 4.13Å; L234-M244 HydrophobicContact CD1-CG 4.23Å |
| 235 | Y | 90.4 | Very high | 90.3 | Very high | 60 Ų | 60 | 59 Ų | 59 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 175.9 | 176.4 | -102.2 | 0 | 0 | 0 | 113.4 | A231 T237 D238 E239 Q242 F245 | A231-Y235 VanDerWaalsContact O-CB 3.28Å; A231-Y235 WeakPolarHBondContact O-CB 3.49Å; A231-Y235 PolarHBondContact O-N 3.43Å; Y235-T237 VanDerWaalsContact C-N 3.27Å; Y235-T237 PolarHBondContact O-N 2.91Å; Y235-D238 CarbonylContact O-C 3.43Å; Y235-E239 HydrophobicContact CE2-CB 4.03Å; Y235-E239 HydrophobicContact CE2-CG 4.19Å; Y235-Q242 HydrophobicContact CD2-CG 4.16Å; Y235-Q242 HydrophobicContact CE2-CG 3.96Å; Y235-F245 HydrophobicContact CD1-CE2 4.24Å; Y235-F245 HydrophobicContact CD2-CE2 4.2Å; Y235-F245 AromaticContact CG-CE2 3.75Å; Y235-F245 HydrophobicContact CG-CE2 3.75Å |
| 236 | F | 89.6 | Confident | 89.9 | Confident | 26 Ų | 26 | 61.7 Ų | 61.7 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72 | -22.3 | 174.4 | -68.9 | -33.7 | 0 | 0 | 0 | 113.5 | L106 K110 K113 F114 R232 L233 L234 | L106-F236 HydrophobicContact CD1-CB 4.44Å; L106-F236 WeakPolarHBondContact CD2-O 3.21Å; K110-F236 HydrophobicContact CD-CD1 4.46Å; K110-F236 HydrophobicContact CG-CD1 4.47Å; K110-F236 HydrophobicContact CG-CE1 4.38Å; K113-F236 HydrophobicContact CB-CE2 3.89Å; K113-F236 HydrophobicContact CB-CZ 3.81Å; K113-F236 HydrophobicContact CD-CZ 4.45Å; F114-F236 HydrophobicContact CB-CD2 3.98Å; F114-F236 HydrophobicContact CB-CE2 4.4Å; F114-F236 HydrophobicContact CD2-CB 3.92Å; F114-F236 AromaticContact CD2-CD2 3.9Å; F114-F236 HydrophobicContact CD2-CD2 3.9Å; F114-F236 HydrophobicContact CD2-CG 4.39Å; F114-F236 HydrophobicContact CG-CD2 4.43Å; R232-F236 HydrophobicContact CG-CD2 4.25Å; R232-F236 HydrophobicContact CG-CE2 3.64Å; R232-F236 HydrophobicContact CG-CZ 3.96Å; R232-F236 VanDerWaalsContact O-CD2 3.26Å; R232-F236 WeakPolarHBondContact O-CD2 3.32Å; R232-F236 WeakPolarHBondContact O-CG 3.44Å; R232-F236 PolarHBondContact O-N 3.49Å; R232-F236 VanDerWaalsContact O-N 3.13Å; L233-F236 PolarHBondContact O-N 2.88Å; L234-F236 VanDerWaalsContact C-N 3.3Å; L234-F236 PolarHBondContact O-N 3.42Å |
| 237 | T | 85.9 | Confident | 89.6 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -80.9 | -47 | 176 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | L104 L233 L234 Y235 | L104-T237 HydrophobicContact CD2-CG2 3.96Å; L233-T237 PolarHBondContact O-N 3.43Å; L233-T237 VanDerWaalsContact O-N 3.17Å; L233-T237 PolarHBondContact O-OG1 3.31Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å; L234-T237 WeakPolarHBondContact O-CB 3.32Å; L234-T237 PolarHBondContact O-N 3.04Å; Y235-T237 VanDerWaalsContact C-N 3.27Å; Y235-T237 PolarHBondContact O-N 2.91Å |
| 238 | D | 83.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 66 Ų | 66 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | trans | -147.8 | 120.8 | 176.7 | 173.3 | 8.6 | 0 | 0 | 0 | 109.8 | L234 Y235 N240 H241 | L234-D238 PolarHBondContact O-N 3.48Å; Y235-D238 CarbonylContact O-C 3.43Å; D238-N240 PolarHBondContact O-N 3.31Å; D238-N240 VanDerWaalsContact O-N 3.09Å; D238-N240 WeakPolarHBondContact OD1-CB 3.13Å; D238-N240 VanDerWaalsContact OD1-CG 3.3Å; D238-N240 PolarHBondContact OD1-N 2.91Å; D238-N240 PolarHBondContact OD1-ND2 2.77Å; D238-N240 PolarHBondContact OD2-ND2 3.02Å; D238-H241 WeakPolarHBondContact CB-ND1 3.37Å; D238-H241 PolarHBondContact O-N 2.91Å; D238-H241 VanDerWaalsContact O-N 3.17Å; D238-H241 PolarHBondContact O-ND1 3.43Å; D238-H241 IonicContact OD2-CE1 3.63Å; D238-H241 PolarHBondContact OD2-CE1 3.37Å; D238-H241 IonicContact OD2-ND1 3.86Å | ||
| 239 | E | 80.8 | Confident | 89.4 | Confident | 98 Ų | 98 | 64.8 Ų | 64.8 | 46% | 0.458 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -65.8 | -11.3 | -176.7 | -61.4 | -171.6 | 169.8 | 0 | 0 | 112.8 | K110 Y235 H241 Q242 | K110-E239 IonicContact NZ-OE1 3.81Å; K110-E239 PolarHBondContact NZ-OE1 3.21Å; Y235-E239 HydrophobicContact CE2-CB 4.03Å; Y235-E239 HydrophobicContact CE2-CG 4.19Å; E239-H241 PolarHBondContact O-N 2.71Å; E239-Q242 WeakPolarHBondContact O-CG 3.3Å |
| 240 | N | 81.6 | Confident | 89.2 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 73% | 0.727 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -68.3 | -15.4 | 173.1 | -65.5 | -41.3 | 0 | 0 | 0 | 113.7 | D238 Q242 | D238-N240 PolarHBondContact O-N 3.31Å; D238-N240 VanDerWaalsContact O-N 3.09Å; D238-N240 WeakPolarHBondContact OD1-CB 3.13Å; D238-N240 VanDerWaalsContact OD1-CG 3.3Å; D238-N240 PolarHBondContact OD1-N 2.91Å; D238-N240 PolarHBondContact OD1-ND2 2.77Å; D238-N240 PolarHBondContact OD2-ND2 3.02Å; N240-Q242 PolarHBondContact O-N 2.99Å; N240-Q242 VanDerWaalsContact O-N 3.09Å |
| 241 | H | 84.4 | Confident | 89.2 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -80.3 | 21.7 | -177.9 | -64.1 | 90.5 | 0 | 0 | 0 | 114.5 | L234 D238 E239 K243 M244 | L234-H241 HydrophobicContact CB-CB 4.13Å; D238-H241 WeakPolarHBondContact CB-ND1 3.37Å; D238-H241 PolarHBondContact O-N 2.91Å; D238-H241 VanDerWaalsContact O-N 3.17Å; D238-H241 PolarHBondContact O-ND1 3.43Å; D238-H241 IonicContact OD2-CE1 3.63Å; D238-H241 PolarHBondContact OD2-CE1 3.37Å; D238-H241 IonicContact OD2-ND1 3.86Å; E239-H241 PolarHBondContact O-N 2.71Å; H241-K243 PolarHBondContact O-N 3.04Å; H241-K243 VanDerWaalsContact O-N 3.13Å; H241-M244 HydrophobicContact CB-CG 4.32Å; H241-M244 WeakPolarHBondContact O-CB 3.48Å; H241-M244 PolarHBondContact O-N 3.32Å |
| 242 | Q | 81.3 | Confident | 89.2 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -56 | -32.6 | -179.3 | -73.7 | -179.9 | 7.1 | 0 | 0 | 113.7 | Y235 E239 N240 M244 F245 | Y235-Q242 HydrophobicContact CD2-CG 4.16Å; Y235-Q242 HydrophobicContact CE2-CG 3.96Å; E239-Q242 WeakPolarHBondContact O-CG 3.3Å; N240-Q242 PolarHBondContact O-N 2.99Å; N240-Q242 VanDerWaalsContact O-N 3.09Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.12Å; Q242-F245 WeakPolarHBondContact O-CB 3.38Å; Q242-F245 PolarHBondContact O-N 3.24Å |
| 243 | K | 85.6 | Confident | 89.3 | Confident | 171 Ų | 171 | 69 Ų | 69 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.1 | -25.2 | 178 | -65.4 | -176.8 | -179.6 | 178.5 | 0 | 113.2 | H241 F245 D246 L247 | H241-K243 PolarHBondContact O-N 3.04Å; H241-K243 VanDerWaalsContact O-N 3.13Å; K243-F245 VanDerWaalsContact C-N 3.26Å; K243-F245 PolarHBondContact O-N 2.86Å; K243-D246 WeakPolarHBondContact O-CB 3.3Å; K243-D246 PolarHBondContact O-N 2.96Å; K243-D246 VanDerWaalsContact O-N 3.09Å; K243-L247 PolarHBondContact O-N 3.37Å; K243-L247 VanDerWaalsContact O-N 3.13Å |
| 244 | M | 89.4 | Confident | 89.5 | Confident | 78 Ų | 78 | 74 Ų | 74 | 38% | 0.384 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -30.4 | 177.1 | -64 | -64 | 170.1 | 0 | 0 | 112.2 | A231 L234 H241 Q242 D246 W248 | A231-M244 HydrophobicContact CB-CB 3.78Å; L234-M244 HydrophobicContact CD1-CG 4.23Å; H241-M244 HydrophobicContact CB-CG 4.32Å; H241-M244 WeakPolarHBondContact O-CB 3.48Å; H241-M244 PolarHBondContact O-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.48Å; Q242-M244 VanDerWaalsContact O-N 3.12Å; M244-D246 VanDerWaalsContact C-N 3.3Å; M244-W248 WeakPolarHBondContact O-CB 3.26Å; M244-W248 PolarHBondContact O-N 3.39Å |
| 245 | F | 89 | Confident | 89.7 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.6 | -28.1 | 172.9 | -76.1 | -70.1 | 0 | 0 | 0 | 112.7 | F228 A231 R232 Y235 Q242 K243 W248 A249 | F228-F245 HydrophobicContact CD2-CE1 4.32Å; F228-F245 HydrophobicContact CE2-CE1 4.09Å; A231-F245 HydrophobicContact CB-CD1 4.02Å; A231-F245 HydrophobicContact CB-CE1 4.12Å; A231-F245 HydrophobicContact CB-CG 4.32Å; R232-F245 HydrophobicContact CB-CE1 4.28Å; R232-F245 HydrophobicContact CB-CZ 4.03Å; Y235-F245 HydrophobicContact CD1-CE2 4.24Å; Y235-F245 HydrophobicContact CD2-CE2 4.2Å; Y235-F245 AromaticContact CG-CE2 3.75Å; Y235-F245 HydrophobicContact CG-CE2 3.75Å; Q242-F245 WeakPolarHBondContact O-CB 3.38Å; Q242-F245 PolarHBondContact O-N 3.24Å; K243-F245 VanDerWaalsContact C-N 3.26Å; K243-F245 PolarHBondContact O-N 2.86Å; F245-W248 HydrophobicContact CD1-CE3 4.29Å; F245-A249 WeakPolarHBondContact O-CB 3.32Å; F245-A249 PolarHBondContact O-N 3.19Å |
| 246 | D | 89.4 | Confident | 90 | Very high | 74 Ų | 74 | 68.6 Ų | 68.6 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -73.9 | -42.8 | 176.8 | -59.4 | -24.9 | 0 | 0 | 0 | 110.4 | K243 M244 A249 V250 R317 | K243-D246 WeakPolarHBondContact O-CB 3.3Å; K243-D246 PolarHBondContact O-N 2.96Å; K243-D246 VanDerWaalsContact O-N 3.09Å; M244-D246 VanDerWaalsContact C-N 3.3Å; D246-A249 WeakPolarHBondContact O-CB 3.35Å; D246-A249 PolarHBondContact O-N 2.98Å; D246-V250 PolarHBondContact O-N 3.17Å; D246-V250 VanDerWaalsContact O-N 3.09Å; D246-R317 IonicContact OD1-CZ 2.8Å; D246-R317 VanDerWaalsContact OD1-CZ 3.29Å; D246-R317 IonicContact OD1-NH1 2.67Å; D246-R317 PolarHBondContact OD1-NH1 3.41Å; D246-R317 IonicContact OD1-NH2 2.68Å; D246-R317 PolarHBondContact OD1-NH2 3.22Å |
| 247 | L | 91.6 | Very high | 90.3 | Very high | 121 Ų | 121 | 73 Ų | 73 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.2 | -47.7 | 172.5 | 179.1 | 61.2 | 0 | 0 | 0 | 111.3 | K243 A249 V250 S251 | K243-L247 PolarHBondContact O-N 3.37Å; K243-L247 VanDerWaalsContact O-N 3.13Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 2.89Å; L247-V250 PolarHBondContact O-N 3.36Å; L247-S251 PolarHBondContact O-N 3.1Å |
| 248 | W | 94.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 8% | 0.076 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 174.2 | 165.6 | 71 | 0 | 0 | 0 | 111.9 | S224 F228 M244 F245 V250 S251 F252 F310 | S224-W248 VanDerWaalsContact O-CD1 3.27Å; S224-W248 PolarHBondContact O-NE1 3.34Å; S224-W248 VanDerWaalsContact O-NE1 3.15Å; F228-W248 HydrophobicContact CB-CD2 4.21Å; F228-W248 HydrophobicContact CB-CG 4.28Å; F228-W248 HydrophobicContact CB-CZ2 4.09Å; F228-W248 AromaticContact CD2-CD2 3.99Å; F228-W248 HydrophobicContact CD2-CD2 3.99Å; F228-W248 AromaticContact CD2-CE2 3.74Å; F228-W248 HydrophobicContact CD2-CE3 4.16Å; F228-W248 AromaticContact CD2-CH2 3.78Å; F228-W248 HydrophobicContact CD2-CH2 3.78Å; F228-W248 AromaticContact CD2-CZ2 3.62Å; F228-W248 HydrophobicContact CD2-CZ2 3.62Å; F228-W248 HydrophobicContact CD2-CZ3 4.06Å; F228-W248 HydrophobicContact CE2-CH2 4.22Å; F228-W248 HydrophobicContact CE2-CZ2 4.44Å; F228-W248 HydrophobicContact CE2-CZ3 4.46Å; F228-W248 HydrophobicContact CG-CZ2 4.12Å; M244-W248 WeakPolarHBondContact O-CB 3.26Å; M244-W248 PolarHBondContact O-N 3.39Å; F245-W248 HydrophobicContact CD1-CE3 4.29Å; W248-V250 VanDerWaalsContact C-N 3.32Å; W248-V250 PolarHBondContact O-N 2.62Å; W248-S251 CarbonylContact O-C 3.26Å; W248-S251 PolarHBondContact O-N 3.34Å; W248-F252 HydrophobicContact CZ2-CB 4.24Å; W248-F252 AromaticContact CZ2-CD2 3.82Å; W248-F252 HydrophobicContact CZ2-CD2 3.82Å; W248-F252 HydrophobicContact CZ2-CE2 4.46Å; W248-F252 HydrophobicContact CZ2-CG 4.11Å; W248-F252 VanDerWaalsContact O-CB 3.3Å; W248-F252 WeakPolarHBondContact O-CB 3.38Å; W248-F252 PolarHBondContact O-N 3.38Å; W248-F310 AromaticContact CH2-CD2 3.82Å; W248-F310 HydrophobicContact CH2-CD2 3.82Å; W248-F310 HydrophobicContact CH2-CE2 4.04Å; W248-F310 HydrophobicContact CZ3-CD2 4.15Å; W248-F310 AromaticContact CZ3-CE2 3.94Å; W248-F310 HydrophobicContact CZ3-CE2 3.94Å |
| 249 | A | 93.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 67.5 Ų | 67.5 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.5 | -40.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F245 D246 L247 V253 F310 | F245-A249 WeakPolarHBondContact O-CB 3.32Å; F245-A249 PolarHBondContact O-N 3.19Å; D246-A249 WeakPolarHBondContact O-CB 3.35Å; D246-A249 PolarHBondContact O-N 2.98Å; L247-A249 VanDerWaalsContact C-N 3.32Å; L247-A249 PolarHBondContact O-N 2.89Å; A249-V253 WeakPolarHBondContact O-CG2 3.46Å; A249-V253 PolarHBondContact O-N 3.39Å; A249-F310 HydrophobicContact CB-CE2 3.88Å; A249-F310 HydrophobicContact CB-CZ 3.82Å |
| 250 | V | 94 | Very high | 92.2 | Very high | 107 Ų | 107 | 65.4 Ų | 65.4 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.8 | -49.2 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | D246 L247 W248 F252 V253 F254 | D246-V250 PolarHBondContact O-N 3.17Å; D246-V250 VanDerWaalsContact O-N 3.09Å; L247-V250 PolarHBondContact O-N 3.36Å; W248-V250 VanDerWaalsContact C-N 3.32Å; W248-V250 PolarHBondContact O-N 2.62Å; V250-F252 VanDerWaalsContact C-N 3.31Å; V250-F252 PolarHBondContact O-N 2.91Å; V250-V253 PolarHBondContact O-N 2.79Å; V250-F254 PolarHBondContact O-N 2.98Å; V250-F254 VanDerWaalsContact O-N 3.09Å |
| 251 | S | 94.5 | Very high | 92.8 | Very high | 43 Ų | 43 | 63.2 Ų | 63.2 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 177.7 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | L247 W248 V253 F254 T255 | L247-S251 PolarHBondContact O-N 3.1Å; W248-S251 CarbonylContact O-C 3.26Å; W248-S251 PolarHBondContact O-N 3.34Å; S251-V253 PolarHBondContact O-N 2.84Å; S251-F254 PolarHBondContact O-N 2.95Å; S251-T255 PolarHBondContact O-N 3.16Å; S251-T255 PolarHBondContact O-OG1 3.2Å |
| 252 | F | 95.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.2 | -52.7 | 178.1 | 177.6 | -91.9 | 0 | 0 | 0 | 111.8 | S224 W248 V250 F254 T255 R256 L306 L307 F310 | S224-F252 WeakPolarHBondContact OG-CA 3.11Å; W248-F252 HydrophobicContact CZ2-CB 4.24Å; W248-F252 AromaticContact CZ2-CD2 3.82Å; W248-F252 HydrophobicContact CZ2-CD2 3.82Å; W248-F252 HydrophobicContact CZ2-CE2 4.46Å; W248-F252 HydrophobicContact CZ2-CG 4.11Å; W248-F252 VanDerWaalsContact O-CB 3.3Å; W248-F252 WeakPolarHBondContact O-CB 3.38Å; W248-F252 PolarHBondContact O-N 3.38Å; V250-F252 VanDerWaalsContact C-N 3.31Å; V250-F252 PolarHBondContact O-N 2.91Å; F252-F254 VanDerWaalsContact C-N 3.33Å; F252-F254 PolarHBondContact O-N 3.36Å; F252-T255 WeakPolarHBondContact O-CB 3.41Å; F252-T255 PolarHBondContact O-N 3.23Å; F252-R256 HydrophobicContact CD1-CG 4.31Å; F252-R256 HydrophobicContact CE1-CG 3.93Å; F252-R256 HydrophobicContact CZ-CG 4.16Å; F252-R256 WeakPolarHBondContact O-CG 3.5Å; F252-R256 PolarHBondContact O-N 2.94Å; F252-L306 HydrophobicContact CZ-CB 4.27Å; F252-L307 HydrophobicContact CE1-CD2 4.27Å; F252-F310 HydrophobicContact CB-CE2 4.46Å; F252-F310 HydrophobicContact CD1-CB 4.12Å; F252-F310 HydrophobicContact CD1-CD1 4.09Å; F252-F310 AromaticContact CD1-CD2 3.49Å; F252-F310 HydrophobicContact CD1-CD2 3.49Å; F252-F310 VanDerWaalsContact CD1-CD2 3.49Å; F252-F310 HydrophobicContact CD1-CE1 4.38Å; F252-F310 AromaticContact CD1-CE2 3.81Å; F252-F310 HydrophobicContact CD1-CE2 3.81Å; F252-F310 AromaticContact CD1-CG 3.64Å; F252-F310 HydrophobicContact CD1-CG 3.64Å; F252-F310 HydrophobicContact CD1-CZ 4.24Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.01Å; F252-F310 AromaticContact CE1-CD2 3.69Å; F252-F310 HydrophobicContact CE1-CD2 3.69Å; F252-F310 HydrophobicContact CE1-CE2 4.43Å; F252-F310 AromaticContact CE1-CG 3.43Å; F252-F310 HydrophobicContact CE1-CG 3.43Å; F252-F310 VanDerWaalsContact CE1-CG 3.43Å; F252-F310 HydrophobicContact CG-CD2 4.11Å; F252-F310 HydrophobicContact CG-CE2 4.3Å; F252-F310 HydrophobicContact CZ-CB 3.85Å; F252-F310 HydrophobicContact CZ-CD2 4.42Å; F252-F310 HydrophobicContact CZ-CG 4.28Å |
| 253 | V | 95.8 | Very high | 94 | Very high | 56 Ų | 56 | 57.2 Ų | 57.2 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | A249 V250 S251 T255 R256 M257 F310 | A249-V253 WeakPolarHBondContact O-CG2 3.46Å; A249-V253 PolarHBondContact O-N 3.39Å; V250-V253 PolarHBondContact O-N 2.79Å; S251-V253 PolarHBondContact O-N 2.84Å; V253-T255 VanDerWaalsContact C-N 3.34Å; V253-T255 PolarHBondContact O-N 3.48Å; V253-R256 PolarHBondContact O-N 3.49Å; V253-R256 VanDerWaalsContact O-N 3.16Å; V253-M257 HydrophobicContact CG1-SD 4.22Å; V253-M257 WeakPolarHBondContact O-CG 3.45Å; V253-M257 PolarHBondContact O-N 3.15Å; V253-F310 HydrophobicContact CG2-CE1 3.81Å; V253-F310 HydrophobicContact CG2-CZ 4.06Å |
| 254 | F | 96.2 | Very high | 94.5 | Very high | 141 Ų | 141 | 54.6 Ų | 54.6 | 62% | 0.618 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.2 | -45.5 | 176.4 | 179.8 | -96.3 | 0 | 0 | 0 | 111.8 | V250 S251 F252 R256 M257 A258 | V250-F254 PolarHBondContact O-N 2.98Å; V250-F254 VanDerWaalsContact O-N 3.09Å; S251-F254 PolarHBondContact O-N 2.95Å; F252-F254 VanDerWaalsContact C-N 3.33Å; F252-F254 PolarHBondContact O-N 3.36Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 2.81Å; F254-M257 PolarHBondContact O-N 3.01Å; F254-A258 WeakPolarHBondContact O-CB 3.26Å; F254-A258 PolarHBondContact O-N 3.43Å |
| 255 | T | 96.9 | Very high | 94.8 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | L220 S251 F252 V253 T259 | L220-T255 HydrophobicContact CB-CG2 3.87Å; L220-T255 WeakPolarHBondContact O-CG2 3.4Å; S251-T255 PolarHBondContact O-N 3.16Å; S251-T255 PolarHBondContact O-OG1 3.2Å; F252-T255 WeakPolarHBondContact O-CB 3.41Å; F252-T255 PolarHBondContact O-N 3.23Å; V253-T255 VanDerWaalsContact C-N 3.34Å; V253-T255 PolarHBondContact O-N 3.48Å; T255-T259 VanDerWaalsContact O-CB 3.29Å; T255-T259 WeakPolarHBondContact O-CB 3.41Å; T255-T259 PolarHBondContact O-N 2.9Å; T255-T259 PolarHBondContact O-OG1 3.18Å |
| 256 | R | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65 | -44.8 | 178 | -57.8 | -55 | 73.1 | 167.3 | 8.1 | 111.5 | F252 V253 F254 T259 L260 Q303 L307 | F252-R256 HydrophobicContact CD1-CG 4.31Å; F252-R256 HydrophobicContact CE1-CG 3.93Å; F252-R256 HydrophobicContact CZ-CG 4.16Å; F252-R256 WeakPolarHBondContact O-CG 3.5Å; F252-R256 PolarHBondContact O-N 2.94Å; V253-R256 PolarHBondContact O-N 3.49Å; V253-R256 VanDerWaalsContact O-N 3.16Å; F254-R256 VanDerWaalsContact C-N 3.3Å; F254-R256 PolarHBondContact O-N 2.81Å; R256-T259 PolarHBondContact O-N 3.15Å; R256-L260 WeakPolarHBondContact O-CG 3.17Å; R256-L260 PolarHBondContact O-N 3.05Å; R256-Q303 VanDerWaalsContact NE-OE1 3.1Å; R256-L307 HydrophobicContact CB-CD1 4.36Å; R256-L307 HydrophobicContact CB-CD2 4.15Å; R256-L307 HydrophobicContact CB-CG 4.29Å; R256-L307 HydrophobicContact CG-CD2 3.8Å; R256-L307 HydrophobicContact CG-CG 3.97Å |
| 257 | M | 95.8 | Very high | 95.4 | Very high | 119 Ų | 119 | 49.4 Ų | 49.4 | 59% | 0.586 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61 | -49.9 | 176.6 | -67.1 | 177.2 | 66.4 | 0 | 0 | 110.8 | V253 F254 T259 L260 T261 | V253-M257 HydrophobicContact CG1-SD 4.22Å; V253-M257 WeakPolarHBondContact O-CG 3.45Å; V253-M257 PolarHBondContact O-N 3.15Å; F254-M257 PolarHBondContact O-N 3.01Å; M257-T259 VanDerWaalsContact C-N 3.33Å; M257-T259 PolarHBondContact O-N 3.06Å; M257-L260 PolarHBondContact O-N 3.19Å; M257-T261 WeakPolarHBondContact O-CB 3.48Å; M257-T261 PolarHBondContact O-N 2.97Å; M257-T261 PolarHBondContact O-OG1 3.14Å |
| 258 | A | 96.2 | Very high | 95.6 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L220 F254 T261 L262 | L220-A258 HydrophobicContact CD1-CB 4.16Å; F254-A258 WeakPolarHBondContact O-CB 3.26Å; F254-A258 PolarHBondContact O-N 3.43Å; A258-T261 PolarHBondContact O-N 3.08Å; A258-L262 WeakPolarHBondContact O-CB 3.26Å; A258-L262 VanDerWaalsContact O-CG 3.23Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 2.81Å |
| 259 | T | 96.7 | Very high | 95.6 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.3 | -48.8 | 178.5 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | L217 T255 R256 M257 M263 V299 Q303 | L217-T259 HydrophobicContact CD2-CG2 3.91Å; T255-T259 VanDerWaalsContact O-CB 3.29Å; T255-T259 WeakPolarHBondContact O-CB 3.41Å; T255-T259 PolarHBondContact O-N 2.9Å; T255-T259 PolarHBondContact O-OG1 3.18Å; R256-T259 PolarHBondContact O-N 3.15Å; M257-T259 VanDerWaalsContact C-N 3.33Å; M257-T259 PolarHBondContact O-N 3.06Å; T259-M263 WeakPolarHBondContact O-CB 3.39Å; T259-M263 WeakPolarHBondContact O-CG 3.5Å; T259-M263 PolarHBondContact O-N 3.02Å; T259-V299 HydrophobicContact CG2-CG1 4.31Å; T259-Q303 HydrophobicContact CG2-CG 4.11Å |
| 260 | L | 96.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 179.7 | -72.6 | 171.5 | 0 | 0 | 0 | 111.7 | R256 M257 M263 F264 Q303 | R256-L260 WeakPolarHBondContact O-CG 3.17Å; R256-L260 PolarHBondContact O-N 3.05Å; M257-L260 PolarHBondContact O-N 3.19Å; L260-M263 PolarHBondContact O-N 3.37Å; L260-F264 WeakPolarHBondContact O-CB 3.37Å; L260-F264 PolarHBondContact O-N 3.1Å; L260-Q303 HydrophobicContact CD1-CB 4.33Å; L260-Q303 HydrophobicContact CD2-CB 3.9Å; L260-Q303 HydrophobicContact CD2-CG 3.82Å; L260-Q303 HydrophobicContact CG-CB 4.17Å; L260-Q303 HydrophobicContact CG-CG 4.09Å |
| 261 | T | 95.6 | Very high | 95.7 | Very high | 91 Ų | 91 | 43.2 Ų | 43.2 | 56% | 0.558 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.6 | -47.7 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | M257 A258 M263 F264 L265 | M257-T261 WeakPolarHBondContact O-CB 3.48Å; M257-T261 PolarHBondContact O-N 2.97Å; M257-T261 PolarHBondContact O-OG1 3.14Å; A258-T261 PolarHBondContact O-N 3.08Å; T261-M263 PolarHBondContact O-N 3.02Å; T261-F264 PolarHBondContact O-N 3.4Å; T261-L265 WeakPolarHBondContact O-CB 3.32Å; T261-L265 PolarHBondContact O-N 3.31Å |
| 262 | L | 95.4 | Very high | 95.7 | Very high | 37 Ų | 37 | 42.6 Ų | 42.6 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 179.4 | -72.6 | 171.1 | 0 | 0 | 0 | 112.1 | L147 V216 L217 L220 A258 L265 A266 | L147-L262 HydrophobicContact CD1-CD2 4.08Å; V216-L262 HydrophobicContact CG1-CD1 3.79Å; L217-L262 HydrophobicContact CD2-CB 4.29Å; L217-L262 HydrophobicContact CD2-CD1 4.38Å; L220-L262 HydrophobicContact CD1-CD1 3.7Å; A258-L262 WeakPolarHBondContact O-CB 3.26Å; A258-L262 VanDerWaalsContact O-CG 3.23Å; A258-L262 WeakPolarHBondContact O-CG 3.45Å; A258-L262 PolarHBondContact O-N 2.81Å; L262-L265 PolarHBondContact O-N 3.17Å; L262-A266 VanDerWaalsContact O-CB 3.26Å; L262-A266 WeakPolarHBondContact O-CB 3.28Å; L262-A266 PolarHBondContact O-N 2.97Å |
| 263 | M | 95.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 176.3 | -82.6 | -57.8 | -65.8 | 0 | 0 | 112.6 | V213 L217 T259 L260 T261 L265 V267 G268 V295 L296 V299 | V213-M263 HydrophobicContact CG1-SD 3.59Å; V213-M263 VanDerWaalsContact CG1-SD 3.59Å; L217-M263 HydrophobicContact CD1-CG 3.56Å; L217-M263 HydrophobicContact CD1-SD 3.37Å; L217-M263 WeakPolarHBondContact CD1-SD 3.08Å; T259-M263 WeakPolarHBondContact O-CB 3.39Å; T259-M263 WeakPolarHBondContact O-CG 3.5Å; T259-M263 PolarHBondContact O-N 3.02Å; L260-M263 PolarHBondContact O-N 3.37Å; T261-M263 PolarHBondContact O-N 3.02Å; M263-L265 VanDerWaalsContact C-N 3.34Å; M263-V267 HydrophobicContact CE-CB 4.2Å; M263-V267 HydrophobicContact CE-CG2 3.64Å; M263-V267 WeakPolarHBondContact O-CB 3.49Å; M263-V267 PolarHBondContact O-N 3.18Å; M263-V267 HydrophobicContact SD-CG2 4.22Å; M263-G268 PolarHBondContact O-N 3.33Å; M263-V295 HydrophobicContact CE-CG1 3.51Å; M263-L296 HydrophobicContact CB-CD2 4.27Å; M263-L296 HydrophobicContact CE-CD2 4.43Å; M263-V299 HydrophobicContact CE-CG2 3.9Å; M263-V299 HydrophobicContact CG-CB 4.46Å; M263-V299 HydrophobicContact CG-CG1 4Å; M263-V299 HydrophobicContact CG-CG2 4.43Å |
| 264 | F | 95.7 | Very high | 95.4 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -67.2 | -38.8 | 178.6 | -164.5 | -114.8 | 0 | 0 | 0 | 111.4 | L260 T261 G268 F269 | L260-F264 WeakPolarHBondContact O-CB 3.37Å; L260-F264 PolarHBondContact O-N 3.1Å; T261-F264 PolarHBondContact O-N 3.4Å; F264-G268 CarbonylContact O-C 3.45Å; F264-G268 WeakPolarHBondContact O-CA 3.47Å; F264-G268 PolarHBondContact O-N 3.02Å; F264-F269 AromaticContact CD1-CD2 3.78Å; F264-F269 HydrophobicContact CD1-CD2 3.78Å; F264-F269 AromaticContact CD1-CE2 3.4Å; F264-F269 HydrophobicContact CD1-CE2 3.4Å; F264-F269 VanDerWaalsContact CD1-CE2 3.4Å; F264-F269 HydrophobicContact CD1-CZ 4.34Å; F264-F269 AromaticContact CE1-CD2 3.8Å; F264-F269 HydrophobicContact CE1-CD2 3.8Å; F264-F269 AromaticContact CE1-CE2 3.04Å; F264-F269 HydrophobicContact CE1-CE2 3.04Å; F264-F269 AromaticContact CE1-CZ 3.55Å; F264-F269 HydrophobicContact CE1-CZ 3.55Å; F264-F269 AromaticContact CZ-CE2 3.91Å; F264-F269 HydrophobicContact CZ-CE2 3.91Å; F264-F269 HydrophobicContact CZ-CZ 4.09Å; F264-F269 PolarHBondContact O-N 2.59Å |
| 265 | L | 95.5 | Very high | 95.1 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -64.2 | -52.7 | 175.4 | -177.5 | 65.8 | 0 | 0 | 0 | 111.6 | W148 T261 L262 M263 F269 G270 | W148-L265 HydrophobicContact CH2-CD1 4.06Å; W148-L265 HydrophobicContact CH2-CD2 3.9Å; W148-L265 HydrophobicContact CH2-CG 3.68Å; W148-L265 HydrophobicContact CZ3-CD2 3.87Å; W148-L265 HydrophobicContact CZ3-CG 3.66Å; T261-L265 WeakPolarHBondContact O-CB 3.32Å; T261-L265 PolarHBondContact O-N 3.31Å; L262-L265 PolarHBondContact O-N 3.17Å; M263-L265 VanDerWaalsContact C-N 3.34Å; L265-F269 PolarHBondContact O-N 3.16Å; L265-G270 PolarHBondContact O-N 2.72Å |
| 266 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -75.6 | -50.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L147 W148 V213 L262 G270 L271 | L147-A266 HydrophobicContact CB-CB 4.32Å; W148-A266 HydrophobicContact CB-CB 4.5Å; W148-A266 VanDerWaalsContact CE3-CA 3.49Å; W148-A266 HydrophobicContact CE3-CB 3.73Å; W148-A266 HydrophobicContact CZ3-CB 4.38Å; V213-A266 HydrophobicContact CG2-CB 3.55Å; L262-A266 VanDerWaalsContact O-CB 3.26Å; L262-A266 WeakPolarHBondContact O-CB 3.28Å; L262-A266 PolarHBondContact O-N 2.97Å; A266-G270 WeakPolarHBondContact O-CA 3.24Å; A266-G270 PolarHBondContact O-N 2.66Å; A266-L271 WeakPolarHBondContact O-CG 3.46Å; A266-L271 PolarHBondContact O-N 3.1Å |
| 267 | V | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -90.1 | -40.8 | -175.2 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | M263 L271 R292 L296 | M263-V267 HydrophobicContact CE-CB 4.2Å; M263-V267 HydrophobicContact CE-CG2 3.64Å; M263-V267 WeakPolarHBondContact O-CB 3.49Å; M263-V267 PolarHBondContact O-N 3.18Å; M263-V267 HydrophobicContact SD-CG2 4.22Å; V267-L271 HydrophobicContact CG1-CD1 4.49Å; V267-L271 HydrophobicContact CG2-CD1 4.35Å; V267-R292 HydrophobicContact CG1-CB 4Å; V267-R292 HydrophobicContact CG1-CG 4.05Å; V267-R292 WeakPolarHBondContact O-CD 3.2Å; V267-L296 HydrophobicContact CB-CD2 4.18Å; V267-L296 HydrophobicContact CB-CG 4.39Å; V267-L296 HydrophobicContact CG1-CD1 4.45Å; V267-L296 HydrophobicContact CG1-CD2 4.41Å; V267-L296 HydrophobicContact CG1-CG 4.07Å |
| 268 | G | 94.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -74 | -41.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | M263 F264 A272 | M263-G268 PolarHBondContact O-N 3.33Å; F264-G268 CarbonylContact O-C 3.45Å; F264-G268 WeakPolarHBondContact O-CA 3.47Å; F264-G268 PolarHBondContact O-N 3.02Å; G268-A272 WeakPolarHBondContact O-CB 3.13Å |
| 269 | F | 94.8 | Very high | 94.3 | Very high | 102 Ų | 102 | 60.2 Ų | 60.2 | 45% | 0.447 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -106 | -50.4 | 179.8 | -74.5 | -65.2 | 0 | 0 | 0 | 113.5 | F264 L265 A272 R273 | F264-F269 AromaticContact CD1-CD2 3.78Å; F264-F269 HydrophobicContact CD1-CD2 3.78Å; F264-F269 AromaticContact CD1-CE2 3.4Å; F264-F269 HydrophobicContact CD1-CE2 3.4Å; F264-F269 VanDerWaalsContact CD1-CE2 3.4Å; F264-F269 HydrophobicContact CD1-CZ 4.34Å; F264-F269 AromaticContact CE1-CD2 3.8Å; F264-F269 HydrophobicContact CE1-CD2 3.8Å; F264-F269 AromaticContact CE1-CE2 3.04Å; F264-F269 HydrophobicContact CE1-CE2 3.04Å; F264-F269 AromaticContact CE1-CZ 3.55Å; F264-F269 HydrophobicContact CE1-CZ 3.55Å; F264-F269 AromaticContact CZ-CE2 3.91Å; F264-F269 HydrophobicContact CZ-CE2 3.91Å; F264-F269 HydrophobicContact CZ-CZ 4.09Å; F264-F269 PolarHBondContact O-N 2.59Å; L265-F269 PolarHBondContact O-N 3.16Å; F269-A272 PolarHBondContact O-N 3.37Å; F269-R273 WeakPolarHBondContact O-CB 3.41Å; F269-R273 VanDerWaalsContact O-CG 3.3Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.13Å; F269-R273 VanDerWaalsContact O-N 3.1Å |
| 270 | G | 95.2 | Very high | 94.2 | Very high | 7 Ų | 7 | 63 Ų | 63 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -59.6 | -62.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L265 A266 A272 R273 S274 | L265-G270 PolarHBondContact O-N 2.72Å; A266-G270 WeakPolarHBondContact O-CA 3.24Å; A266-G270 PolarHBondContact O-N 2.66Å; G270-A272 VanDerWaalsContact C-N 3.26Å; G270-A272 PolarHBondContact O-N 3.04Å; G270-R273 PolarHBondContact O-N 3.18Å; G270-S274 PolarHBondContact O-N 2.8Å |
| 271 | L | 95.4 | Very high | 94 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -26.8 | 177.1 | -67.1 | -176.8 | 0 | 0 | 0 | 113.6 | W148 Y151 L210 A266 V267 R273 S274 N287 | W148-L271 HydrophobicContact CB-CD2 3.93Å; W148-L271 HydrophobicContact CB-CG 4.1Å; Y151-L271 VanDerWaalsContact CB-CD2 3.46Å; Y151-L271 HydrophobicContact CD1-CD2 3.78Å; Y151-L271 HydrophobicContact CD2-CD1 4.47Å; Y151-L271 HydrophobicContact CD2-CD2 4.09Å; Y151-L271 HydrophobicContact CG-CD2 3.47Å; Y151-L271 VanDerWaalsContact CG-CD2 3.47Å; L210-L271 HydrophobicContact CD2-CD1 3.65Å; A266-L271 WeakPolarHBondContact O-CG 3.46Å; A266-L271 PolarHBondContact O-N 3.1Å; V267-L271 HydrophobicContact CG1-CD1 4.49Å; V267-L271 HydrophobicContact CG2-CD1 4.35Å; L271-R273 VanDerWaalsContact C-N 3.26Å; L271-R273 PolarHBondContact O-N 2.89Å; L271-S274 PolarHBondContact O-OG 3.24Å; L271-S274 VanDerWaalsContact O-OG 3.04Å; L271-N287 WeakPolarHBondContact CB-OD1 3.22Å; L271-N287 PolarHBondContact O-ND2 2.88Å; L271-N287 PolarHBondContact O-OD1 3.45Å |
| 272 | A | 94.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 71 Ų | 71 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75.1 | -14.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G268 F269 G270 Q277 | G268-A272 WeakPolarHBondContact O-CB 3.13Å; F269-A272 PolarHBondContact O-N 3.37Å; G270-A272 VanDerWaalsContact C-N 3.26Å; G270-A272 PolarHBondContact O-N 3.04Å; A272-Q277 PolarHBondContact O-NE2 2.8Å |
| 273 | R | 93.7 | Very high | 93.4 | Very high | 210 Ų | 210 | 72.9 Ų | 72.9 | 79% | 0.792 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -109.5 | -2.3 | 176.7 | -65.1 | 177.4 | 85.6 | 131.2 | 4.4 | 112.9 | F269 G270 L271 | F269-R273 WeakPolarHBondContact O-CB 3.41Å; F269-R273 VanDerWaalsContact O-CG 3.3Å; F269-R273 WeakPolarHBondContact O-CG 3.49Å; F269-R273 PolarHBondContact O-N 3.13Å; F269-R273 VanDerWaalsContact O-N 3.1Å; G270-R273 PolarHBondContact O-N 3.18Å; L271-R273 VanDerWaalsContact C-N 3.26Å; L271-R273 PolarHBondContact O-N 2.89Å |
| 274 | S | 91.9 | Very high | 93.2 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -71.6 | 150 | 175.1 | 72.1 | 0 | 0 | 0 | 0 | 110.6 | G270 L271 N276 Q277 N287 | G270-S274 PolarHBondContact O-N 2.8Å; L271-S274 PolarHBondContact O-OG 3.24Å; L271-S274 VanDerWaalsContact O-OG 3.04Å; S274-N276 VanDerWaalsContact C-N 3.29Å; S274-N276 VanDerWaalsContact CB-OD1 3.22Å; S274-N276 WeakPolarHBondContact CB-OD1 3.09Å; S274-N276 PolarHBondContact O-N 3.15Å; S274-N276 PolarHBondContact OG-OD1 3.33Å; S274-Q277 VanDerWaalsContact O-CG 3.28Å; S274-Q277 WeakPolarHBondContact O-CG 3.41Å; S274-Q277 PolarHBondContact O-NE2 3.03Å; S274-N287 PolarHBondContact OG-ND2 3.24Å |
| 275 | E | 88.7 | Confident | 93.2 | Very high | 204 Ų | 204 | 67.8 Ų | 67.8 | 95% | 0.953 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -71.7 | -27 | -176.9 | -62.4 | -179.1 | 170.7 | 0 | 0 | 112.1 | Q277 | E275-Q277 PolarHBondContact O-N 2.99Š|
| 276 | N | 88.4 | Confident | 93.3 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | trans | -84.7 | 47.1 | -176.1 | 67.6 | -24 | 0 | 0 | 0 | 113.8 | Y151 S274 N285 | Y151-N276 PolarHBondContact O-ND2 3.31Å; S274-N276 VanDerWaalsContact C-N 3.29Å; S274-N276 VanDerWaalsContact CB-OD1 3.22Å; S274-N276 WeakPolarHBondContact CB-OD1 3.09Å; S274-N276 PolarHBondContact O-N 3.15Å; S274-N276 PolarHBondContact OG-OD1 3.33Å; N276-N285 PolarHBondContact O-ND2 3.48Å | ||
| 277 | Q | 92.5 | Very high | 93.3 | Very high | 98 Ų | 98 | 66 Ų | 66 | 46% | 0.458 | 34% | 0.335 | S | S | . | . | trans | -74.3 | 129.5 | 174.4 | -53.9 | -159.3 | 31.9 | 0 | 0 | 110.7 | A272 S274 E275 | A272-Q277 PolarHBondContact O-NE2 2.8Å; S274-Q277 VanDerWaalsContact O-CG 3.28Å; S274-Q277 WeakPolarHBondContact O-CG 3.41Å; S274-Q277 PolarHBondContact O-NE2 3.03Å; E275-Q277 PolarHBondContact O-N 2.99Å | ||
| 278 | G | 93.3 | Very high | 93.3 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 156 | -178.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N287 T288 | G278-N287 PolarHBondContact N-O 3.4Å; G278-N287 CarbonylContact O-C 3.6Å; G278-N287 VanDerWaalsContact O-C 3.26Å; G278-N287 PolarHBondContact O-N 3.47Å; G278-N287 VanDerWaalsContact O-N 3.17Å; G278-T288 WeakPolarHBondContact O-CG2 3.42Å |
| 279 | L | 95.8 | Very high | 93.4 | Very high | 106 Ų | 106 | 70.8 Ų | 70.8 | 56% | 0.555 | 36% | 0.361 | S | S | * | . | trans | -119.3 | 117.9 | 170.7 | 179.8 | 66.8 | 0 | 0 | 0 | 107.9 | N285 F286 T288 I291 | L279-N285 WeakPolarHBondContact CA-O 3.44Å; L279-F286 HydrophobicContact CD1-CD1 3.65Å; L279-F286 HydrophobicContact CD1-CE1 4.23Å; L279-T288 HydrophobicContact CB-CG2 3.77Å; L279-I291 HydrophobicContact CD1-CD1 4.33Å | ||
| 280 | D | 94.3 | Very high | 93.5 | Very high | 61 Ų | 61 | 72.1 Ų | 72.1 | 33% | 0.326 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -139.5 | 107.8 | 172.4 | 175.3 | 2.1 | 0 | 0 | 0 | 108.5 | E282 T283 G284 N285 | D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact OD1-N 2.66Å; D280-T283 WeakPolarHBondContact CB-OG1 3.15Å; D280-T283 PolarHBondContact OD1-N 3.45Å; D280-T283 WeakPolarHBondContact OD2-CB 3.23Å; D280-T283 WeakPolarHBondContact OD2-CG2 3.39Å; D280-T283 PolarHBondContact OD2-OG1 3.41Å; D280-G284 CarbonylContact O-C 3.56Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.1Å; D280-N285 HydrophobicContact CB-CB 4.21Å; D280-N285 PolarHBondContact N-O 2.89Å; D280-N285 PolarHBondContact O-N 2.93Å |
| 281 | I | 91.5 | Very high | 93.6 | Very high | 121 Ų | 121 | 73.9 Ų | 73.9 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -30.9 | -175.4 | -59.5 | 174.2 | 0 | 0 | 0 | 110.6 | G284 | I281-G284 PolarHBondContact O-N 2.94Š|
| 282 | E | 89.8 | Confident | 93.7 | Very high | 193 Ų | 193 | 74.3 Ų | 74.3 | 90% | 0.902 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -43.2 | -176.6 | -62 | -169.1 | 167.5 | 0 | 0 | 110.9 | D280 G284 | D280-E282 VanDerWaalsContact C-N 3.33Å; D280-E282 PolarHBondContact OD1-N 2.66Å; E282-G284 VanDerWaalsContact C-N 3.31Å |
| 283 | T | 88.8 | Confident | 93.9 | Very high | 75 Ų | 75 | 78.1 Ų | 78.1 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.6 | 175.1 | 61.4 | 0 | 0 | 0 | 0 | 113 | P152 S154 D280 | P152-T283 WeakPolarHBondContact CG-O 3.46Å; S154-T283 PolarHBondContact OG-O 3.42Å; D280-T283 WeakPolarHBondContact CB-OG1 3.15Å; D280-T283 PolarHBondContact OD1-N 3.45Å; D280-T283 WeakPolarHBondContact OD2-CB 3.23Å; D280-T283 WeakPolarHBondContact OD2-CG2 3.39Å; D280-T283 PolarHBondContact OD2-OG1 3.41Å |
| 284 | G | 92.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 25 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P152 N209 D280 I281 E282 F286 | P152-G284 WeakPolarHBondContact CB-O 3.36Å; N209-G284 PolarHBondContact ND2-O 3.49Å; D280-G284 CarbonylContact O-C 3.56Å; D280-G284 PolarHBondContact O-N 3.41Å; D280-G284 VanDerWaalsContact O-N 3.1Å; I281-G284 PolarHBondContact O-N 2.94Å; E282-G284 VanDerWaalsContact C-N 3.31Å; G284-F286 WeakPolarHBondContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CE2 3.23Å |
| 285 | N | 95.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.08 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -85.5 | 112.8 | 175.7 | -176.3 | 9.3 | 0 | 0 | 0 | 110.8 | Y151 P152 N276 L279 D280 N287 | Y151-N285 WeakPolarHBondContact CE1-OD1 3.43Å; P152-N285 HydrophobicContact CG-CB 4.13Å; N276-N285 PolarHBondContact O-ND2 3.48Å; L279-N285 WeakPolarHBondContact CA-O 3.44Å; D280-N285 HydrophobicContact CB-CB 4.21Å; D280-N285 PolarHBondContact N-O 2.89Å; D280-N285 PolarHBondContact O-N 2.93Å; N285-N287 WeakPolarHBondContact OD1-CB 3.35Å; N285-N287 PolarHBondContact OD1-N 3.29Å |
| 286 | F | 96 | Very high | 94.8 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 11% | 0.114 | 33% | 0.333 | C | S | . | . | trans | -111 | 21.9 | 177.5 | -59 | -81.8 | 0 | 0 | 0 | 112.5 | Y151 L207 L208 L279 G284 T288 I291 | Y151-F286 WeakPolarHBondContact OH-CB 3.33Å; Y151-F286 PolarHBondContact OH-N 2.67Å; L207-F286 WeakPolarHBondContact O-CE2 3.26Å; L208-F286 HydrophobicContact CB-CD2 4.43Å; L208-F286 HydrophobicContact CD2-CB 4.09Å; L208-F286 HydrophobicContact CD2-CD1 4.14Å; L208-F286 HydrophobicContact CD2-CD2 4.13Å; L208-F286 HydrophobicContact CD2-CG 3.86Å; L279-F286 HydrophobicContact CD1-CD1 3.65Å; L279-F286 HydrophobicContact CD1-CE1 4.23Å; G284-F286 WeakPolarHBondContact O-CD2 3.26Å; G284-F286 WeakPolarHBondContact O-CE2 3.23Å; F286-T288 PolarHBondContact O-N 2.92Å; F286-I291 HydrophobicContact CB-CD1 3.86Å; F286-I291 HydrophobicContact CB-CG2 4.4Å; F286-I291 HydrophobicContact CD1-CD1 4.25Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å; F286-I291 WeakPolarHBondContact O-CD1 3.33Å | ||
| 287 | N | 96.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -78.4 | 61.8 | -172.3 | -168 | 24.7 | 0 | 0 | 0 | 113.9 | Y151 L271 S274 G278 N285 R292 | Y151-N287 HydrophobicContact CD1-CB 4.18Å; Y151-N287 HydrophobicContact CE1-CB 3.79Å; L271-N287 WeakPolarHBondContact CB-OD1 3.22Å; L271-N287 PolarHBondContact O-ND2 2.88Å; L271-N287 PolarHBondContact O-OD1 3.45Å; S274-N287 PolarHBondContact OG-ND2 3.24Å; G278-N287 PolarHBondContact N-O 3.4Å; G278-N287 CarbonylContact O-C 3.6Å; G278-N287 VanDerWaalsContact O-C 3.26Å; G278-N287 PolarHBondContact O-N 3.47Å; G278-N287 VanDerWaalsContact O-N 3.17Å; N285-N287 WeakPolarHBondContact OD1-CB 3.35Å; N285-N287 PolarHBondContact OD1-N 3.29Å; N287-R292 VanDerWaalsContact CG-NH1 3.34Å; N287-R292 PolarHBondContact O-NH1 3.25Å; N287-R292 VanDerWaalsContact O-NH1 3.13Å; N287-R292 VanDerWaalsContact OD1-CD 3.29Å; N287-R292 WeakPolarHBondContact OD1-CD 3.4Å; N287-R292 PolarHBondContact OD1-NH1 2.97Å | ||
| 288 | T | 96.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 62 Ų | 62 | 22% | 0.215 | 34% | 0.336 | C | S | . | . | trans | -101.8 | 153 | 172.4 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | G278 L279 F286 L290 I291 R292 | G278-T288 WeakPolarHBondContact O-CG2 3.42Å; L279-T288 HydrophobicContact CB-CG2 3.77Å; F286-T288 PolarHBondContact O-N 2.92Å; T288-L290 PolarHBondContact O-N 3.41Å; T288-I291 PolarHBondContact O-N 3.02Å; T288-I291 WeakPolarHBondContact OG1-CB 3.19Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.49Å; T288-I291 PolarHBondContact OG1-N 3.31Å; T288-R292 WeakPolarHBondContact O-CG 3.3Å; T288-R292 PolarHBondContact O-N 3.04Å | ||
| 289 | V | 96.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54.2 | -42.7 | 174.9 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | R292 M293 | V289-R292 VanDerWaalsContact CG2-NH2 3.32Å; V289-R292 PolarHBondContact O-N 3.45Å; V289-M293 HydrophobicContact CG1-CE 4.45Å; V289-M293 HydrophobicContact CG1-CG 4.11Å; V289-M293 WeakPolarHBondContact O-CB 3.28Å; V289-M293 WeakPolarHBondContact O-CG 3.41Å; V289-M293 PolarHBondContact O-N 3.31Å |
| 290 | L | 97.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 58.6 Ų | 58.6 | 69% | 0.686 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.4 | -53.8 | 179.9 | -177.4 | 65.5 | 0 | 0 | 0 | 111.3 | T288 R292 M293 T294 | T288-L290 PolarHBondContact O-N 3.41Å; L290-R292 PolarHBondContact O-N 3.44Å; L290-M293 PolarHBondContact O-N 3.16Å; L290-T294 WeakPolarHBondContact O-CB 3.42Å; L290-T294 PolarHBondContact O-N 2.69Å; L290-T294 PolarHBondContact O-OG1 2.91Å |
| 291 | I | 97.1 | Very high | 95.9 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 22% | 0.221 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.8 | -44.3 | -178.6 | -67.4 | 175.1 | 0 | 0 | 0 | 110.7 | L208 L279 F286 T288 M293 T294 V295 | L208-I291 HydrophobicContact CD1-CG2 3.8Å; L279-I291 HydrophobicContact CD1-CD1 4.33Å; F286-I291 HydrophobicContact CB-CD1 3.86Å; F286-I291 HydrophobicContact CB-CG2 4.4Å; F286-I291 HydrophobicContact CD1-CD1 4.25Å; F286-I291 WeakPolarHBondContact O-CB 3.44Å; F286-I291 WeakPolarHBondContact O-CD1 3.33Å; T288-I291 PolarHBondContact O-N 3.02Å; T288-I291 WeakPolarHBondContact OG1-CB 3.19Å; T288-I291 VanDerWaalsContact OG1-CG1 3.3Å; T288-I291 WeakPolarHBondContact OG1-CG1 3.49Å; T288-I291 PolarHBondContact OG1-N 3.31Å; I291-M293 PolarHBondContact O-N 2.91Å; I291-T294 PolarHBondContact O-N 3.41Å; I291-V295 HydrophobicContact CG2-CG2 4.28Å; I291-V295 WeakPolarHBondContact O-CB 3.31Å; I291-V295 VanDerWaalsContact O-CG2 3.3Å; I291-V295 WeakPolarHBondContact O-CG2 3.02Å; I291-V295 PolarHBondContact O-N 3.09Å |
| 292 | R | 97.1 | Very high | 96.1 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 6% | 0.057 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57 | -49.6 | 176.3 | -70.5 | -168.9 | -60.5 | -104.6 | 11.6 | 111.6 | V267 N287 T288 V289 L290 V295 L296 | V267-R292 HydrophobicContact CG1-CB 4Å; V267-R292 HydrophobicContact CG1-CG 4.05Å; V267-R292 WeakPolarHBondContact O-CD 3.2Å; N287-R292 VanDerWaalsContact CG-NH1 3.34Å; N287-R292 PolarHBondContact O-NH1 3.25Å; N287-R292 VanDerWaalsContact O-NH1 3.13Å; N287-R292 VanDerWaalsContact OD1-CD 3.29Å; N287-R292 WeakPolarHBondContact OD1-CD 3.4Å; N287-R292 PolarHBondContact OD1-NH1 2.97Å; T288-R292 WeakPolarHBondContact O-CG 3.3Å; T288-R292 PolarHBondContact O-N 3.04Å; V289-R292 VanDerWaalsContact CG2-NH2 3.32Å; V289-R292 PolarHBondContact O-N 3.45Å; L290-R292 PolarHBondContact O-N 3.44Å; R292-V295 PolarHBondContact O-N 3.15Å; R292-L296 WeakPolarHBondContact O-CB 3Å; R292-L296 VanDerWaalsContact O-CG 3.29Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.09Å |
| 293 | M | 97.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.8 | -37.8 | -179.2 | -67.1 | -58 | 170.9 | 0 | 0 | 112 | V289 L290 I291 L296 L297 | V289-M293 HydrophobicContact CG1-CE 4.45Å; V289-M293 HydrophobicContact CG1-CG 4.11Å; V289-M293 WeakPolarHBondContact O-CB 3.28Å; V289-M293 WeakPolarHBondContact O-CG 3.41Å; V289-M293 PolarHBondContact O-N 3.31Å; L290-M293 PolarHBondContact O-N 3.16Å; I291-M293 PolarHBondContact O-N 2.91Å; M293-L296 HydrophobicContact SD-CD1 4.32Å; M293-L297 WeakPolarHBondContact O-CB 3.32Å; M293-L297 PolarHBondContact O-N 3.14Å |
| 294 | T | 98.1 | Very high | 96.7 | Very high | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | L290 I291 L296 L297 V298 | L290-T294 WeakPolarHBondContact O-CB 3.42Å; L290-T294 PolarHBondContact O-N 2.69Å; L290-T294 PolarHBondContact O-OG1 2.91Å; I291-T294 PolarHBondContact O-N 3.41Å; T294-L296 PolarHBondContact O-N 3.1Å; T294-L297 PolarHBondContact O-N 3.18Å; T294-V298 HydrophobicContact CG2-CG2 4.42Å; T294-V298 VanDerWaalsContact O-CG2 3.32Å; T294-V298 WeakPolarHBondContact O-CG2 3.23Å; T294-V298 PolarHBondContact O-N 2.94Å |
| 295 | V | 97.9 | Very high | 96.9 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 177.9 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | V204 L208 L210 M263 I291 R292 L297 V298 V299 | V204-V295 HydrophobicContact CG1-CG2 4Å; L208-V295 HydrophobicContact CD1-CG2 3.7Å; L210-V295 HydrophobicContact CD1-CG1 4.28Å; L210-V295 HydrophobicContact CD1-CG2 4.45Å; M263-V295 HydrophobicContact CE-CG1 3.51Å; I291-V295 HydrophobicContact CG2-CG2 4.28Å; I291-V295 WeakPolarHBondContact O-CB 3.31Å; I291-V295 VanDerWaalsContact O-CG2 3.3Å; I291-V295 WeakPolarHBondContact O-CG2 3.02Å; I291-V295 PolarHBondContact O-N 3.09Å; R292-V295 PolarHBondContact O-N 3.15Å; V295-L297 PolarHBondContact O-N 3.44Å; V295-V298 PolarHBondContact O-N 2.83Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 3.17Å |
| 296 | L | 97.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 176 | -73.7 | 169.5 | 0 | 0 | 0 | 111.7 | M263 V267 R292 M293 T294 V299 C300 | M263-L296 HydrophobicContact CB-CD2 4.27Å; M263-L296 HydrophobicContact CE-CD2 4.43Å; V267-L296 HydrophobicContact CB-CD2 4.18Å; V267-L296 HydrophobicContact CB-CG 4.39Å; V267-L296 HydrophobicContact CG1-CD1 4.45Å; V267-L296 HydrophobicContact CG1-CD2 4.41Å; V267-L296 HydrophobicContact CG1-CG 4.07Å; R292-L296 WeakPolarHBondContact O-CB 3Å; R292-L296 VanDerWaalsContact O-CG 3.29Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.09Å; M293-L296 HydrophobicContact SD-CD1 4.32Å; T294-L296 PolarHBondContact O-N 3.1Å; L296-V299 PolarHBondContact O-N 3.22Å; L296-C300 VanDerWaalsContact O-CB 3.26Å; L296-C300 WeakPolarHBondContact O-CB 3.4Å; L296-C300 PolarHBondContact O-N 3.09Å; L296-C300 PolarHBondContact O-SG 3.43Å |
| 297 | L | 97.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 51 Ų | 51 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 179.2 | 179.6 | 64.6 | 0 | 0 | 0 | 111.6 | M293 T294 V295 V299 C300 L301 | M293-L297 WeakPolarHBondContact O-CB 3.32Å; M293-L297 PolarHBondContact O-N 3.14Å; T294-L297 PolarHBondContact O-N 3.18Å; V295-L297 PolarHBondContact O-N 3.44Å; L297-V299 PolarHBondContact O-N 3.37Å; L297-C300 PolarHBondContact O-N 3.34Å; L297-L301 HydrophobicContact CD1-CD1 3.95Å; L297-L301 HydrophobicContact CD1-CG 3.99Å; L297-L301 HydrophobicContact CG-CD1 3.89Å; L297-L301 HydrophobicContact CG-CG 4.32Å; L297-L301 WeakPolarHBondContact O-CB 3.47Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.46Å; L297-L301 PolarHBondContact O-N 3.33Å |
| 298 | V | 97.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 179.5 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | L200 T294 V295 T302 | L200-V298 HydrophobicContact CD2-CG1 3.96Å; T294-V298 HydrophobicContact CG2-CG2 4.42Å; T294-V298 VanDerWaalsContact O-CG2 3.32Å; T294-V298 WeakPolarHBondContact O-CG2 3.23Å; T294-V298 PolarHBondContact O-N 2.94Å; V295-V298 PolarHBondContact O-N 2.83Å; V298-T302 WeakPolarHBondContact O-CB 3.37Å; V298-T302 PolarHBondContact O-N 3.47Å; V298-T302 PolarHBondContact O-OG1 3.36Å |
| 299 | V | 97.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | T259 M263 V295 L296 L297 L301 T302 Q303 | T259-V299 HydrophobicContact CG2-CG1 4.31Å; M263-V299 HydrophobicContact CE-CG2 3.9Å; M263-V299 HydrophobicContact CG-CB 4.46Å; M263-V299 HydrophobicContact CG-CG1 4Å; M263-V299 HydrophobicContact CG-CG2 4.43Å; V295-V299 WeakPolarHBondContact O-CG2 3.26Å; V295-V299 PolarHBondContact O-N 3.17Å; L296-V299 PolarHBondContact O-N 3.22Å; L297-V299 PolarHBondContact O-N 3.37Å; V299-L301 PolarHBondContact O-N 2.95Å; V299-T302 PolarHBondContact O-N 3.23Å; V299-T302 VanDerWaalsContact O-N 3.13Å; V299-Q303 HydrophobicContact CG1-CG 3.89Å; V299-Q303 VanDerWaalsContact O-CG 3.29Å; V299-Q303 WeakPolarHBondContact O-CG 3.41Å; V299-Q303 PolarHBondContact O-N 3.03Å |
| 300 | C | 97 | Very high | 96.3 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.3 | -49 | 179.2 | -76.7 | 0 | 0 | 0 | 0 | 112 | L296 L297 T302 Q303 S304 | L296-C300 VanDerWaalsContact O-CB 3.26Å; L296-C300 WeakPolarHBondContact O-CB 3.4Å; L296-C300 PolarHBondContact O-N 3.09Å; L296-C300 PolarHBondContact O-SG 3.43Å; L297-C300 PolarHBondContact O-N 3.34Å; C300-T302 VanDerWaalsContact C-N 3.3Å; C300-T302 PolarHBondContact O-N 3.14Å; C300-Q303 PolarHBondContact O-N 3.11Å; C300-S304 WeakPolarHBondContact O-CB 3.29Å; C300-S304 PolarHBondContact O-N 3.36Å; C300-S304 PolarHBondContact O-OG 3.3Å; C300-S304 VanDerWaalsContact O-OG 3.05Å |
| 301 | L | 97.3 | Very high | 96 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 177.2 | -72 | 175.1 | 0 | 0 | 0 | 111.7 | L297 V299 W305 | L297-L301 HydrophobicContact CD1-CD1 3.95Å; L297-L301 HydrophobicContact CD1-CG 3.99Å; L297-L301 HydrophobicContact CG-CD1 3.89Å; L297-L301 HydrophobicContact CG-CG 4.32Å; L297-L301 WeakPolarHBondContact O-CB 3.47Å; L297-L301 VanDerWaalsContact O-CG 3.27Å; L297-L301 WeakPolarHBondContact O-CG 3.46Å; L297-L301 PolarHBondContact O-N 3.33Å; V299-L301 PolarHBondContact O-N 2.95Å; L301-W305 VanDerWaalsContact O-CB 3.3Å; L301-W305 WeakPolarHBondContact O-CB 3.41Å; L301-W305 PolarHBondContact O-N 3.29Å |
| 302 | T | 96.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | L197 H201 V298 V299 C300 W305 L306 | L197-T302 HydrophobicContact CD1-CG2 4.31Å; L197-T302 HydrophobicContact CD2-CG2 4.04Å; H201-T302 PolarHBondContact CE1-OG1 2.77Å; H201-T302 PolarHBondContact NE2-OG1 3.46Å; V298-T302 WeakPolarHBondContact O-CB 3.37Å; V298-T302 PolarHBondContact O-N 3.47Å; V298-T302 PolarHBondContact O-OG1 3.36Å; V299-T302 PolarHBondContact O-N 3.23Å; V299-T302 VanDerWaalsContact O-N 3.13Å; C300-T302 VanDerWaalsContact C-N 3.3Å; C300-T302 PolarHBondContact O-N 3.14Å; T302-W305 PolarHBondContact O-N 3.16Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.45Å; T302-L306 PolarHBondContact O-N 2.91Å |
| 303 | Q | 96.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 177.7 | -63.5 | -50 | -48.9 | 0 | 0 | 111.7 | R256 T259 L260 V299 C300 W305 L306 L307 | R256-Q303 VanDerWaalsContact NE-OE1 3.1Å; T259-Q303 HydrophobicContact CG2-CG 4.11Å; L260-Q303 HydrophobicContact CD1-CB 4.33Å; L260-Q303 HydrophobicContact CD2-CB 3.9Å; L260-Q303 HydrophobicContact CD2-CG 3.82Å; L260-Q303 HydrophobicContact CG-CB 4.17Å; L260-Q303 HydrophobicContact CG-CG 4.09Å; V299-Q303 HydrophobicContact CG1-CG 3.89Å; V299-Q303 VanDerWaalsContact O-CG 3.29Å; V299-Q303 WeakPolarHBondContact O-CG 3.41Å; V299-Q303 PolarHBondContact O-N 3.03Å; C300-Q303 PolarHBondContact O-N 3.11Å; Q303-W305 VanDerWaalsContact C-N 3.34Å; Q303-W305 PolarHBondContact O-N 2.65Å; Q303-L306 PolarHBondContact O-N 2.98Å; Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 WeakPolarHBondContact O-CG 3.1Å; Q303-L307 PolarHBondContact O-N 2.85Å |
| 304 | S | 95.3 | Very high | 95 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 49% | 0.49 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.6 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | C300 L307 W308 | C300-S304 WeakPolarHBondContact O-CB 3.29Å; C300-S304 PolarHBondContact O-N 3.36Å; C300-S304 PolarHBondContact O-OG 3.3Å; C300-S304 VanDerWaalsContact O-OG 3.05Å; S304-L307 PolarHBondContact O-N 3.15Å; S304-W308 VanDerWaalsContact O-CB 3.29Å; S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 3.37Å |
| 305 | W | 95.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 60 Ų | 60 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 175.9 | 174.9 | 80.9 | 0 | 0 | 0 | 112.3 | Q193 L197 L301 T302 Q303 W308 K309 | Q193-W305 HydrophobicContact CG-CH2 4.46Å; Q193-W305 HydrophobicContact CG-CZ2 4.44Å; L197-W305 HydrophobicContact CD1-CE3 3.92Å; L197-W305 HydrophobicContact CD1-CH2 4.11Å; L197-W305 HydrophobicContact CD1-CZ3 3.49Å; L197-W305 VanDerWaalsContact CD1-CZ3 3.49Å; L301-W305 VanDerWaalsContact O-CB 3.3Å; L301-W305 WeakPolarHBondContact O-CB 3.41Å; L301-W305 PolarHBondContact O-N 3.29Å; T302-W305 PolarHBondContact O-N 3.16Å; Q303-W305 VanDerWaalsContact C-N 3.34Å; Q303-W305 PolarHBondContact O-N 2.65Å; W305-W308 PolarHBondContact O-N 3.19Å; W305-K309 PolarHBondContact O-N 2.68Å |
| 306 | L | 94.7 | Very high | 94.1 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 175.7 | -71.2 | 172.7 | 0 | 0 | 0 | 111.8 | F252 T302 Q303 K309 F310 | F252-L306 HydrophobicContact CZ-CB 4.27Å; T302-L306 HydrophobicContact CG2-CD1 4.29Å; T302-L306 WeakPolarHBondContact O-CG 3.45Å; T302-L306 PolarHBondContact O-N 2.91Å; Q303-L306 PolarHBondContact O-N 2.98Å; L306-K309 PolarHBondContact O-N 3.2Å; L306-F310 WeakPolarHBondContact O-CB 3.24Å; L306-F310 PolarHBondContact O-N 2.81Å |
| 307 | L | 94.7 | Very high | 93.5 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.4 | -79.8 | 167.7 | 0 | 0 | 0 | 111.6 | F252 R256 Q303 S304 K309 F310 I311 | F252-L307 HydrophobicContact CE1-CD2 4.27Å; R256-L307 HydrophobicContact CB-CD1 4.36Å; R256-L307 HydrophobicContact CB-CD2 4.15Å; R256-L307 HydrophobicContact CB-CG 4.29Å; R256-L307 HydrophobicContact CG-CD2 3.8Å; R256-L307 HydrophobicContact CG-CG 3.97Å; Q303-L307 WeakPolarHBondContact O-CB 3.37Å; Q303-L307 WeakPolarHBondContact O-CG 3.1Å; Q303-L307 PolarHBondContact O-N 2.85Å; S304-L307 PolarHBondContact O-N 3.15Å; L307-K309 VanDerWaalsContact C-N 3.35Å; L307-K309 PolarHBondContact O-N 3.08Å; L307-F310 WeakPolarHBondContact O-CB 3.29Å; L307-F310 PolarHBondContact O-N 3.35Å; L307-I311 WeakPolarHBondContact O-CB 3.48Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.44Å; L307-I311 PolarHBondContact O-N 3.05Å |
| 308 | W | 94.2 | Very high | 92.8 | Very high | 144 Ų | 144 | 71.2 Ų | 71.2 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176.5 | 178.6 | -106.8 | 0 | 0 | 0 | 111.8 | S304 W305 F310 I311 R312 | S304-W308 VanDerWaalsContact O-CB 3.29Å; S304-W308 WeakPolarHBondContact O-CB 3.43Å; S304-W308 PolarHBondContact O-N 3.37Å; W305-W308 PolarHBondContact O-N 3.19Å; W308-F310 VanDerWaalsContact C-N 3.34Å; W308-F310 PolarHBondContact O-N 3.36Å; W308-I311 PolarHBondContact O-N 3.39Å; W308-R312 HydrophobicContact CZ2-CG 4.48Å; W308-R312 WeakPolarHBondContact O-CB 3.37Å; W308-R312 WeakPolarHBondContact O-CG 3.34Å; W308-R312 PolarHBondContact O-N 3.11Å |
| 309 | K | 92.6 | Very high | 92.4 | Very high | 88 Ų | 88 | 76.3 Ų | 76.3 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 175.2 | -174.5 | -175.9 | 172.7 | -166.4 | 0 | 111.2 | W305 L306 L307 R312 F313 | W305-K309 PolarHBondContact O-N 2.68Å; L306-K309 PolarHBondContact O-N 3.2Å; L307-K309 VanDerWaalsContact C-N 3.35Å; L307-K309 PolarHBondContact O-N 3.08Å; K309-R312 PolarHBondContact O-N 3.34Å; K309-F313 WeakPolarHBondContact O-CB 3.48Å; K309-F313 PolarHBondContact O-N 3.49Å |
| 310 | F | 92.8 | Very high | 91.9 | Very high | 27 Ų | 27 | 80.7 Ų | 80.7 | 12% | 0.118 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.6 | 172.1 | -96 | 0 | 0 | 0 | 112.3 | W248 A249 F252 V253 L306 L307 W308 R312 F313 Q314 | W248-F310 AromaticContact CH2-CD2 3.82Å; W248-F310 HydrophobicContact CH2-CD2 3.82Å; W248-F310 HydrophobicContact CH2-CE2 4.04Å; W248-F310 HydrophobicContact CZ3-CD2 4.15Å; W248-F310 AromaticContact CZ3-CE2 3.94Å; W248-F310 HydrophobicContact CZ3-CE2 3.94Å; A249-F310 HydrophobicContact CB-CE2 3.88Å; A249-F310 HydrophobicContact CB-CZ 3.82Å; F252-F310 HydrophobicContact CB-CE2 4.46Å; F252-F310 HydrophobicContact CD1-CB 4.12Å; F252-F310 HydrophobicContact CD1-CD1 4.09Å; F252-F310 AromaticContact CD1-CD2 3.49Å; F252-F310 HydrophobicContact CD1-CD2 3.49Å; F252-F310 VanDerWaalsContact CD1-CD2 3.49Å; F252-F310 HydrophobicContact CD1-CE1 4.38Å; F252-F310 AromaticContact CD1-CE2 3.81Å; F252-F310 HydrophobicContact CD1-CE2 3.81Å; F252-F310 AromaticContact CD1-CG 3.64Å; F252-F310 HydrophobicContact CD1-CG 3.64Å; F252-F310 HydrophobicContact CD1-CZ 4.24Å; F252-F310 HydrophobicContact CE1-CB 3.39Å; F252-F310 HydrophobicContact CE1-CD1 4.01Å; F252-F310 AromaticContact CE1-CD2 3.69Å; F252-F310 HydrophobicContact CE1-CD2 3.69Å; F252-F310 HydrophobicContact CE1-CE2 4.43Å; F252-F310 AromaticContact CE1-CG 3.43Å; F252-F310 HydrophobicContact CE1-CG 3.43Å; F252-F310 VanDerWaalsContact CE1-CG 3.43Å; F252-F310 HydrophobicContact CG-CD2 4.11Å; F252-F310 HydrophobicContact CG-CE2 4.3Å; F252-F310 HydrophobicContact CZ-CB 3.85Å; F252-F310 HydrophobicContact CZ-CD2 4.42Å; F252-F310 HydrophobicContact CZ-CG 4.28Å; V253-F310 HydrophobicContact CG2-CE1 3.81Å; V253-F310 HydrophobicContact CG2-CZ 4.06Å; L306-F310 WeakPolarHBondContact O-CB 3.24Å; L306-F310 PolarHBondContact O-N 2.81Å; L307-F310 WeakPolarHBondContact O-CB 3.29Å; L307-F310 PolarHBondContact O-N 3.35Å; W308-F310 VanDerWaalsContact C-N 3.34Å; W308-F310 PolarHBondContact O-N 3.36Å; F310-R312 PolarHBondContact O-N 2.84Å; F310-F313 WeakPolarHBondContact O-CB 3.42Å; F310-F313 PolarHBondContact O-N 2.89Å; F310-F313 VanDerWaalsContact O-N 3.13Å; F310-Q314 HydrophobicContact CD1-CG 4.3Å; F310-Q314 HydrophobicContact CD2-CG 4.27Å; F310-Q314 HydrophobicContact CE1-CG 3.91Å; F310-Q314 HydrophobicContact CE2-CG 3.88Å; F310-Q314 HydrophobicContact CG-CG 4.48Å; F310-Q314 HydrophobicContact CZ-CG 3.69Å; F310-Q314 WeakPolarHBondContact O-CG 3.2Å; F310-Q314 PolarHBondContact O-N 2.9Å |
| 311 | I | 91.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 83.1 Ų | 83.1 | 40% | 0.4 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 178 | -69.8 | 162.7 | 0 | 0 | 0 | 110.2 | L307 W308 F313 Q314 L315 | L307-I311 WeakPolarHBondContact O-CB 3.48Å; L307-I311 VanDerWaalsContact O-CG1 3.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.44Å; L307-I311 PolarHBondContact O-N 3.05Å; W308-I311 PolarHBondContact O-N 3.39Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.15Å; I311-Q314 PolarHBondContact O-N 3.38Å; I311-L315 HydrophobicContact CG2-CD1 3.73Å; I311-L315 HydrophobicContact CG2-CG 4.12Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.29Å |
| 312 | R | 92.3 | Very high | 90.9 | Very high | 138 Ų | 138 | 83.8 Ų | 83.8 | 52% | 0.521 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.7 | -73.5 | -161 | -63.9 | -163.4 | -1.4 | 112.2 | W308 K309 F310 R316 | W308-R312 HydrophobicContact CZ2-CG 4.48Å; W308-R312 WeakPolarHBondContact O-CB 3.37Å; W308-R312 WeakPolarHBondContact O-CG 3.34Å; W308-R312 PolarHBondContact O-N 3.11Å; K309-R312 PolarHBondContact O-N 3.34Å; F310-R312 PolarHBondContact O-N 2.84Å; R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 3.24Å |
| 313 | F | 88.8 | Confident | 90.5 | Very high | 91 Ų | 91 | 89 Ų | 89 | 40% | 0.399 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 175.1 | 176 | -101.3 | 0 | 0 | 0 | 111.6 | K309 F310 I311 R316 R317 | K309-F313 WeakPolarHBondContact O-CB 3.48Å; K309-F313 PolarHBondContact O-N 3.49Å; F310-F313 WeakPolarHBondContact O-CB 3.42Å; F310-F313 PolarHBondContact O-N 2.89Å; F310-F313 VanDerWaalsContact O-N 3.13Å; I311-F313 VanDerWaalsContact C-N 3.29Å; I311-F313 PolarHBondContact O-N 3.15Å; F313-R316 WeakPolarHBondContact O-CB 3.44Å; F313-R316 PolarHBondContact O-N 3.35Å; F313-R317 PolarHBondContact O-N 3.48Å |
| 314 | Q | 88.3 | Confident | 90 | Very high | 32 Ų | 32 | 93.6 Ų | 93.6 | 15% | 0.15 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -68.5 | -37.8 | -180 | -64.5 | -58.1 | 5.7 | 0 | 0 | 113.3 | F310 I311 R316 R317 W318 | F310-Q314 HydrophobicContact CD1-CG 4.3Å; F310-Q314 HydrophobicContact CD2-CG 4.27Å; F310-Q314 HydrophobicContact CE1-CG 3.91Å; F310-Q314 HydrophobicContact CE2-CG 3.88Å; F310-Q314 HydrophobicContact CG-CG 4.48Å; F310-Q314 HydrophobicContact CZ-CG 3.69Å; F310-Q314 WeakPolarHBondContact O-CG 3.2Å; F310-Q314 PolarHBondContact O-N 2.9Å; I311-Q314 PolarHBondContact O-N 3.38Å; Q314-R316 VanDerWaalsContact C-N 3.29Å; Q314-R316 PolarHBondContact O-N 3.04Å; Q314-R317 PolarHBondContact O-N 2.87Å; Q314-W318 VanDerWaalsContact O-CB 3.32Å; Q314-W318 WeakPolarHBondContact O-CB 3.37Å; Q314-W318 PolarHBondContact O-N 2.97Å |
| 315 | L | 88.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 94.3 Ų | 94.3 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 172.8 | -71.6 | 175.4 | 0 | 0 | 0 | 111.8 | I311 W318 R319 | I311-L315 HydrophobicContact CG2-CD1 3.73Å; I311-L315 HydrophobicContact CG2-CG 4.12Å; I311-L315 WeakPolarHBondContact O-CB 3.41Å; I311-L315 VanDerWaalsContact O-CG 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.29Å; L315-W318 HydrophobicContact CD2-CE3 4.34Å; L315-R319 WeakPolarHBondContact O-CB 3.49Å; L315-R319 VanDerWaalsContact O-CG 3.27Å; L315-R319 WeakPolarHBondContact O-CG 3.4Å; L315-R319 PolarHBondContact O-N 2.97Å; L315-R319 VanDerWaalsContact O-N 3.11Å; L315-R319 PolarHBondContact O-NE 3.15Å |
| 316 | R | 88.9 | Confident | 89.3 | Confident | 153 Ų | 153 | 93.1 Ų | 93.1 | 58% | 0.577 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65 | -52.3 | 172.4 | -179.1 | 179.1 | -75.7 | -174.8 | -4.6 | 110.5 | R312 F313 Q314 W318 R319 E320 | R312-R316 WeakPolarHBondContact O-CB 3.5Å; R312-R316 PolarHBondContact O-N 3.24Å; F313-R316 WeakPolarHBondContact O-CB 3.44Å; F313-R316 PolarHBondContact O-N 3.35Å; Q314-R316 VanDerWaalsContact C-N 3.29Å; Q314-R316 PolarHBondContact O-N 3.04Å; R316-W318 VanDerWaalsContact C-N 3.3Å; R316-W318 PolarHBondContact O-N 2.63Å; R316-R319 PolarHBondContact O-N 3.15Å; R316-R319 VanDerWaalsContact O-N 3.13Å; R316-E320 WeakPolarHBondContact CG-OE1 3.5Å; R316-E320 WeakPolarHBondContact O-CG 3.23Å; R316-E320 PolarHBondContact O-N 3.27Å |
| 317 | R | 84.4 | Confident | 89 | Confident | 80 Ų | 80 | 96.1 Ų | 96.1 | 30% | 0.302 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.8 | -43.1 | 179.3 | -167.6 | 175.4 | 74.2 | 145.1 | 8.8 | 112.2 | D246 F313 Q314 E320 F321 | D246-R317 IonicContact OD1-CZ 2.8Å; D246-R317 VanDerWaalsContact OD1-CZ 3.29Å; D246-R317 IonicContact OD1-NH1 2.67Å; D246-R317 PolarHBondContact OD1-NH1 3.41Å; D246-R317 IonicContact OD1-NH2 2.68Å; D246-R317 PolarHBondContact OD1-NH2 3.22Å; F313-R317 PolarHBondContact O-N 3.48Å; Q314-R317 PolarHBondContact O-N 2.87Å; R317-E320 PolarHBondContact O-N 3.02Å; R317-F321 WeakPolarHBondContact O-CB 3.21Å; R317-F321 PolarHBondContact O-N 3Å |
| 318 | W | 84.1 | Confident | 88.6 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 178.9 | -174.5 | 38.8 | 0 | 0 | 0 | 112.9 | Q314 L315 R316 R322 | Q314-W318 VanDerWaalsContact O-CB 3.32Å; Q314-W318 WeakPolarHBondContact O-CB 3.37Å; Q314-W318 PolarHBondContact O-N 2.97Å; L315-W318 HydrophobicContact CD2-CE3 4.34Å; R316-W318 VanDerWaalsContact C-N 3.3Å; R316-W318 PolarHBondContact O-N 2.63Å; W318-R322 WeakPolarHBondContact O-CB 3.38Å; W318-R322 WeakPolarHBondContact O-CG 3.27Å; W318-R322 PolarHBondContact O-N 3.23Å |
| 319 | R | 89.3 | Confident | 88.2 | Confident | 153 Ų | 153 | 102.8 Ų | 102.8 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 173.1 | -77.7 | -176 | -65.5 | 177.5 | 0.4 | 111.7 | L315 R316 R322 H323 | L315-R319 WeakPolarHBondContact O-CB 3.49Å; L315-R319 VanDerWaalsContact O-CG 3.27Å; L315-R319 WeakPolarHBondContact O-CG 3.4Å; L315-R319 PolarHBondContact O-N 2.97Å; L315-R319 VanDerWaalsContact O-N 3.11Å; L315-R319 PolarHBondContact O-NE 3.15Å; R316-R319 PolarHBondContact O-N 3.15Å; R316-R319 VanDerWaalsContact O-N 3.13Å; R319-R322 PolarHBondContact O-N 3.36Å; R319-H323 WeakPolarHBondContact O-CB 3.45Å; R319-H323 PolarHBondContact O-N 2.64Å |
| 320 | E | 87.4 | Confident | 87.8 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 177.2 | -71.4 | 166.5 | -174.8 | 0 | 0 | 110.9 | R316 R317 R322 H323 E324 | R316-E320 WeakPolarHBondContact CG-OE1 3.5Å; R316-E320 WeakPolarHBondContact O-CG 3.23Å; R316-E320 PolarHBondContact O-N 3.27Å; R317-E320 PolarHBondContact O-N 3.02Å; E320-R322 PolarHBondContact O-N 2.67Å; E320-H323 WeakPolarHBondContact O-CB 3.19Å; E320-H323 PolarHBondContact O-N 3.06Å; E320-H323 VanDerWaalsContact O-N 3.13Å; E320-E324 WeakPolarHBondContact O-CG 3.47Å; E320-E324 PolarHBondContact O-N 3.07Å |
| 321 | F | 84.9 | Confident | 87.3 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 45% | 0.452 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 176.5 | -177.8 | -105.5 | 0 | 0 | 0 | 113.1 | R317 H323 E324 Q325 | R317-F321 WeakPolarHBondContact O-CB 3.21Å; R317-F321 PolarHBondContact O-N 3Å; F321-H323 VanDerWaalsContact C-N 3.32Å; F321-H323 PolarHBondContact O-N 3.42Å; F321-E324 PolarHBondContact O-N 3.3Å; F321-Q325 HydrophobicContact CE1-CG 4.24Å; F321-Q325 HydrophobicContact CZ-CG 4.31Å; F321-Q325 WeakPolarHBondContact O-CG 3.47Å; F321-Q325 PolarHBondContact O-N 3.14Å |
| 322 | R | 86.4 | Confident | 86.7 | Confident | 122 Ų | 122 | 108 Ų | 108 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 175.5 | -75.8 | -166.1 | -65.9 | -174.3 | -0.5 | 111.9 | W318 R319 E320 Q325 A326 | W318-R322 WeakPolarHBondContact O-CB 3.38Å; W318-R322 WeakPolarHBondContact O-CG 3.27Å; W318-R322 PolarHBondContact O-N 3.23Å; R319-R322 PolarHBondContact O-N 3.36Å; E320-R322 PolarHBondContact O-N 2.67Å; R322-Q325 PolarHBondContact O-N 2.87Å; R322-A326 WeakPolarHBondContact O-CB 3.29Å; R322-A326 PolarHBondContact O-N 3.27Å |
| 323 | H | 88.5 | Confident | 85.8 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.2 | -46.1 | 176.5 | -171.3 | -83.4 | 0 | 0 | 0 | 111.3 | R319 E320 F321 Q325 A326 V327 | R319-H323 WeakPolarHBondContact O-CB 3.45Å; R319-H323 PolarHBondContact O-N 2.64Å; E320-H323 WeakPolarHBondContact O-CB 3.19Å; E320-H323 PolarHBondContact O-N 3.06Å; E320-H323 VanDerWaalsContact O-N 3.13Å; F321-H323 VanDerWaalsContact C-N 3.32Å; F321-H323 PolarHBondContact O-N 3.42Å; H323-Q325 PolarHBondContact O-N 2.88Å; H323-A326 PolarHBondContact O-N 3.31Å; H323-V327 WeakPolarHBondContact O-CG2 3.49Å; H323-V327 PolarHBondContact O-N 2.97Å |
| 324 | E | 87.4 | Confident | 84.9 | Confident | 107 Ų | 107 | 109.6 Ų | 109.6 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.3 | -72.8 | 179.1 | -176.7 | 0 | 0 | 112.2 | E320 F321 V327 R328 | E320-E324 WeakPolarHBondContact O-CG 3.47Å; E320-E324 PolarHBondContact O-N 3.07Å; F321-E324 PolarHBondContact O-N 3.3Å; E324-V327 PolarHBondContact O-N 3.09Å; E324-R328 WeakPolarHBondContact O-CB 3.36Å; E324-R328 WeakPolarHBondContact O-CG 3.34Å; E324-R328 PolarHBondContact O-N 2.87Å |
| 325 | Q | 86 | Confident | 83.3 | Confident | 85 Ų | 85 | 115.1 Ų | 115.1 | 40% | 0.397 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.9 | -74.8 | -164.6 | -5.9 | 0 | 0 | 112.5 | F321 R322 H323 V327 R328 K329 | F321-Q325 HydrophobicContact CE1-CG 4.24Å; F321-Q325 HydrophobicContact CZ-CG 4.31Å; F321-Q325 WeakPolarHBondContact O-CG 3.47Å; F321-Q325 PolarHBondContact O-N 3.14Å; R322-Q325 PolarHBondContact O-N 2.87Å; H323-Q325 PolarHBondContact O-N 2.88Å; Q325-V327 VanDerWaalsContact C-N 3.35Å; Q325-R328 PolarHBondContact O-N 3.1Å; Q325-K329 WeakPolarHBondContact O-CB 3.38Å; Q325-K329 WeakPolarHBondContact O-CG 2.96Å; Q325-K329 PolarHBondContact O-N 3.02Å |
| 326 | A | 88.2 | Confident | 81.6 | Confident | 45 Ų | 45 | 116.9 Ų | 116.9 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R322 H323 K330 | R322-A326 WeakPolarHBondContact O-CB 3.29Å; R322-A326 PolarHBondContact O-N 3.27Å; H323-A326 PolarHBondContact O-N 3.31Å; A326-K330 WeakPolarHBondContact O-CB 3.21Å; A326-K330 WeakPolarHBondContact O-CG 3.45Å; A326-K330 PolarHBondContact O-N 3.34Å |
| 327 | V | 89.5 | Confident | 79.9 | Confident | 77 Ų | 77 | 115.9 Ų | 115.9 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -45.1 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | H323 E324 Q325 K329 K330 A331 | H323-V327 WeakPolarHBondContact O-CG2 3.49Å; H323-V327 PolarHBondContact O-N 2.97Å; E324-V327 PolarHBondContact O-N 3.09Å; Q325-V327 VanDerWaalsContact C-N 3.35Å; V327-K329 PolarHBondContact O-N 2.77Å; V327-K330 PolarHBondContact O-N 2.74Å; V327-A331 WeakPolarHBondContact O-CB 3.4Å; V327-A331 PolarHBondContact O-N 3.14Å |
| 328 | R | 86.4 | Confident | 78.3 | Confident | 181 Ų | 181 | 123.5 Ų | 123.5 | 68% | 0.683 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -60.4 | -45.6 | 176.7 | -75.1 | 179.8 | -178 | -171.2 | 3 | 112.2 | E324 Q325 K330 A331 T332 | E324-R328 WeakPolarHBondContact O-CB 3.36Å; E324-R328 WeakPolarHBondContact O-CG 3.34Å; E324-R328 PolarHBondContact O-N 2.87Å; Q325-R328 PolarHBondContact O-N 3.1Å; R328-K330 PolarHBondContact O-N 2.97Å; R328-A331 WeakPolarHBondContact O-CB 3.45Å; R328-A331 PolarHBondContact O-N 3.2Å; R328-A331 VanDerWaalsContact O-N 3.16Å; R328-T332 PolarHBondContact O-N 3.41Å; R328-T332 PolarHBondContact O-OG1 2.77Å |
| 329 | K | 84.9 | Confident | 76.3 | Confident | 148 Ų | 148 | 125.9 Ų | 125.9 | 64% | 0.643 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.9 | -39.9 | 176.1 | -74.6 | -178.1 | 178.8 | -175.6 | 0 | 112.5 | Q325 V327 A331 T332 A333 | Q325-K329 WeakPolarHBondContact O-CB 3.38Å; Q325-K329 WeakPolarHBondContact O-CG 2.96Å; Q325-K329 PolarHBondContact O-N 3.02Å; V327-K329 PolarHBondContact O-N 2.77Å; K329-A331 VanDerWaalsContact C-N 3.32Å; K329-T332 WeakPolarHBondContact CA-OG1 3.43Å; K329-T332 PolarHBondContact O-OG1 3.24Å; K329-A333 WeakPolarHBondContact O-CB 2.97Å; K329-A333 PolarHBondContact O-N 2.9Å |
| 330 | K | 85.6 | Confident | 74.1 | Confident | 150 Ų | 150 | 126.8 Ų | 126.8 | 65% | 0.652 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -32.7 | 174.3 | -75.9 | 178.4 | 178.6 | -177.5 | 0 | 112.4 | A326 V327 R328 K334 | A326-K330 WeakPolarHBondContact O-CB 3.21Å; A326-K330 WeakPolarHBondContact O-CG 3.45Å; A326-K330 PolarHBondContact O-N 3.34Å; V327-K330 PolarHBondContact O-N 2.74Å; R328-K330 PolarHBondContact O-N 2.97Å; K330-K334 WeakPolarHBondContact O-CG 3.38Å; K330-K334 PolarHBondContact O-N 3.4Å |
| 331 | A | 82.1 | Confident | 71.8 | Confident | 57 Ų | 57 | 130.4 Ų | 130.4 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.1 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V327 R328 K329 K334 | V327-A331 WeakPolarHBondContact O-CB 3.4Å; V327-A331 PolarHBondContact O-N 3.14Å; R328-A331 WeakPolarHBondContact O-CB 3.45Å; R328-A331 PolarHBondContact O-N 3.2Å; R328-A331 VanDerWaalsContact O-N 3.16Å; K329-A331 VanDerWaalsContact C-N 3.32Å; A331-K334 PolarHBondContact O-N 3.44Å |
| 332 | T | 77.8 | Confident | 69.8 | Low | 95 Ų | 95 | 136.3 Ų | 136.3 | 58% | 0.583 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.5 | -34.5 | 174.6 | 33.8 | 0 | 0 | 0 | 0 | 112.8 | R328 K329 K334 Q335 | R328-T332 PolarHBondContact O-N 3.41Å; R328-T332 PolarHBondContact O-OG1 2.77Å; K329-T332 WeakPolarHBondContact CA-OG1 3.43Å; K329-T332 PolarHBondContact O-OG1 3.24Å; T332-K334 VanDerWaalsContact C-N 3.25Å; T332-K334 PolarHBondContact O-N 3.09Å; T332-Q335 PolarHBondContact O-N 2.86Å |
| 333 | A | 74.8 | Confident | 67.4 | Low | 87 Ų | 87 | 137.1 Ų | 137.1 | 72% | 0.719 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.1 | -19.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K329 | K329-A333 WeakPolarHBondContact O-CB 2.97Å; K329-A333 PolarHBondContact O-N 2.9Å |
| 334 | K | 68.6 | Low | 64.9 | Low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -0.5 | 178.7 | -75.4 | -177.3 | 177.8 | -169.8 | 0 | 113.9 | K330 A331 T332 P336 | K330-K334 WeakPolarHBondContact O-CG 3.38Å; K330-K334 PolarHBondContact O-N 3.4Å; A331-K334 PolarHBondContact O-N 3.44Å; T332-K334 VanDerWaalsContact C-N 3.25Å; T332-K334 PolarHBondContact O-N 3.09Å; K334-P336 WeakPolarHBondContact O-CD 3.48Å |
| 335 | Q | 54.5 | Low | 62.4 | Low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -75.4 | 121.5 | 172.1 | -76.4 | -171.7 | -17.6 | 0 | 0 | 109.4 | T332 V337 | T332-Q335 PolarHBondContact O-N 2.86Å; Q335-V337 PolarHBondContact O-N 3.28Å |
| 336 | P | 54.7 | Low | 59.7 | Low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -65.3 | 128.8 | 178.3 | 25.1 | -30.2 | 0 | 0 | 0 | 109.4 | K334 R338 | K334-P336 WeakPolarHBondContact O-CD 3.48Å; P336-R338 PolarHBondContact O-N 2.89Å | ||
| 337 | V | 53 | Low | 56.9 | Low | 132 Ų | 132 | 146.5 Ų | 146.5 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | trans | -55.7 | 112.8 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 107 | Q335 Q339 | Q335-V337 PolarHBondContact O-N 3.28Å; V337-Q339 PolarHBondContact O-N 2.96Å | ||
| 338 | R | 50.1 | Low | 54.1 | Low | 240 Ų | 240 | 150.6 Ų | 150.6 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | trans | -56.6 | 106.4 | 170.9 | -111.5 | 179.4 | 175.5 | 176.9 | -2.1 | 106.9 | P336 L340 | P336-R338 PolarHBondContact O-N 2.89Å; R338-L340 PolarHBondContact O-N 3.48Å | ||
| 339 | Q | 42.2 | Very low | 51.5 | Low | 186 Ų | 186 | 149.4 Ų | 149.4 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -60.7 | 113.1 | 171.7 | -75.1 | -174.9 | -12.3 | 0 | 0 | 107.6 | V337 K341 | V337-Q339 PolarHBondContact O-N 2.96Å; Q339-K341 PolarHBondContact O-N 3.49Å; Q339-K341 VanDerWaalsContact O-N 3.07Å | ||
| 340 | L | 43.6 | Very low | 49 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | trans | -66.8 | 105.2 | 173 | -155.4 | 83.8 | 0 | 0 | 0 | 106.9 | R338 R342 | R338-L340 PolarHBondContact O-N 3.48Å; L340-R342 PolarHBondContact O-N 2.91Å; L340-R342 VanDerWaalsContact O-N 3.1Å | ||
| 341 | K | 38.6 | Very low | 46.4 | Very low | 179 Ų | 179 | 146.2 Ų | 146.2 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -63.9 | 111 | 176.6 | -145.7 | -175.1 | -175.6 | -165.8 | 0 | 107.6 | Q339 D343 | Q339-K341 PolarHBondContact O-N 3.49Å; Q339-K341 VanDerWaalsContact O-N 3.07Å; K341-D343 PolarHBondContact O-N 3.02Å | ||
| 342 | R | 42.2 | Very low | 43.9 | Very low | 227 Ų | 227 | 149.8 Ų | 149.8 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -81.3 | 91.5 | 177.8 | -172.6 | 176.5 | -173.1 | 162.5 | 1.1 | 107.9 | L340 T344 | L340-R342 PolarHBondContact O-N 2.91Å; L340-R342 VanDerWaalsContact O-N 3.1Å; R342-T344 PolarHBondContact O-N 3.2Å | ||
| 343 | D | 37.4 | Very low | 41.7 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 119.5 | 172.2 | -73.5 | -21 | 0 | 0 | 0 | 109 | K341 | K341-D343 PolarHBondContact O-N 3.02Š| ||
| 344 | T | 36.3 | Very low | 39.6 | Very low | 108 Ų | 108 | 156.9 Ų | 156.9 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | -103.1 | 127.8 | 179.3 | -53 | 0 | 0 | 0 | 0 | 108.5 | R342 | R342-T344 PolarHBondContact O-N 3.2Š| ||
| 345 | F | 33.3 | Very low | 37.9 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | 64 | 128.3 | 157 | -96.9 | -104.6 | 0 | 0 | 0 | 121.6 | ||||
| 346 | G | 29.3 | Very low | 36.8 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 169.2 | 92.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 347 | H | 30.1 | Very low | 35.6 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 135 | -176.1 | -151.5 | 54.7 | 0 | 0 | 0 | 111.8 | ||||
| 348 | H | 31.6 | Very low | 34.7 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | 162.1 | 138.5 | 124.6 | -95.1 | -72.4 | 0 | 0 | 0 | 113.9 | |||||
| 349 | E | 31.7 | Very low | 33.7 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -71.1 | 147.8 | -179.2 | -60.7 | 165.9 | 123.5 | 0 | 0 | 114.4 | ||||
| 350 | N | 32.4 | Very low | 33.3 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | 154.4 | 140.1 | 117.8 | -84.9 | -38.8 | 0 | 0 | 0 | 112.6 | |||||
| 351 | G | 30.5 | Very low | 32.8 | Very low | 68 Ų | 68 | 142.7 Ų | 142.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | 127 | 67.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 352 | V | 30.1 | Very low | 32.4 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | 28.4 | 103.9 | 119.5 | 176.9 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 353 | L | 30.8 | Very low | 32.1 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | 160.5 | 133.1 | 116.8 | -90 | 151.6 | 0 | 0 | 0 | 115.6 | |||||
| 354 | K | 30.4 | Very low | 32 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | 82 | 116.1 | 141.2 | -82.6 | 173.8 | 177.4 | -178.3 | 0 | 121.6 | ||||
| 355 | A | 32.9 | Very low | 32.1 | Very low | 86 Ų | 86 | 149 Ų | 149 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -50.6 | 143.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 356 | D | 30.9 | Very low | 32.1 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | -175 | 144.5 | 92.7 | -121.4 | -8.7 | 0 | 0 | 0 | 113 | |||||
| 357 | N | 31.2 | Very low | 32.4 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | 51.6 | 107.6 | 143.6 | -63 | -31.8 | 0 | 0 | 0 | 121.9 | ||||
| 358 | G | 32.3 | Very low | 32.6 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | 61.9 | 116.2 | 113.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 359 | V | 30.7 | Very low | 33.3 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | 173.3 | 130.2 | 115.2 | 159.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 360 | S | 32.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | trans | -20.7 | 127.8 | 166.1 | -175 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 361 | Q | 33 | Very low | 33.5 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 91% | 0.907 | 84% | 0.839 | S | S | * | * | trans | -103 | 120.4 | 163.8 | -88.5 | -167.9 | -5.6 | 0 | 0 | 112.8 | ||||
| 362 | R | 32 | Very low | 33.6 | Very low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 85% | 0.847 | S | S | * | * | trans | -65.9 | 124.4 | 173.8 | -166.4 | -178.8 | -167.9 | 179.4 | 4.2 | 111.4 | ||||
| 363 | T | 35.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 157.8 Ų | 157.8 | 88% | 0.877 | 85% | 0.849 | S | S | * | * | trans | -93.5 | 115 | 170.6 | 11.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 364 | K | 35.6 | Very low | 34 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134 | 170.8 | -72.4 | 176.8 | 175.4 | 175.4 | 0 | 110.1 | ||
| 365 | K | 37 | Very low | 34.3 | Very low | 210 Ų | 210 | 156.8 Ų | 156.8 | 91% | 0.913 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 123.3 | 165 | -86.1 | -175.3 | 175.4 | -179.8 | 0 | 110.1 | ||
| 366 | L | 33.1 | Very low | 34.4 | Very low | 169 Ų | 169 | 161.9 Ų | 161.9 | 89% | 0.885 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 138.4 | 166.3 | -123.1 | 77 | 0 | 0 | 0 | 109.8 | ||
| 367 | K | 35.6 | Very low | 34.6 | Very low | 207 Ų | 207 | 164.2 Ų | 164.2 | 90% | 0.9 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -86 | 138.2 | 160.2 | -83.9 | 179.2 | 172.9 | -179.6 | 0 | 108.3 | ||
| 368 | S | 34.4 | Very low | 34.9 | Very low | 109 Ų | 109 | 166.3 Ų | 166.3 | 76% | 0.762 | 89% | 0.893 | S | S | * | * | trans | -105 | 156.1 | 170.7 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 369 | P | 47.8 | Very low | 35.2 | Very low | 205 Ų | 205 | 174.9 Ų | 174.9 | 100% | 1.331 | 91% | 0.906 | S | S | * | * | trans | -74.3 | 0 | -165.3 | 22.7 | -19.8 | 0 | 0 | 0 | 115.1 |
Retrieved 369 of 369 residues in 72.6 ms
(Link to these results)