| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.2 | Very low | 67 | Low | 240 Ų | 240 | 134.4 Ų | 134.4 | 100% | 1.182 | 68% | 0.679 | S | S | * | * | 0 | 113.3 | 0 | -66.8 | -173.1 | 179.5 | 0 | 0 | 106.9 | Q3 | M1-Q3 PolarHBondContact O-N 2.54Å; M1-Q3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | G | 45.5 | Very low | 68.8 | Low | 82 Ų | 82 | 125.7 Ų | 125.7 | 85% | 0.845 | 64% | 0.643 | S | S | * | * | trans | -65.4 | 108.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K4 | G2-K4 PolarHBondContact O-N 2.74Å; G2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | Q | 48.4 | Very low | 70.3 | Confident | 188 Ų | 188 | 116 Ų | 116 | 88% | 0.879 | 59% | 0.594 | S | S | * | * | trans | -61.6 | 114.4 | 168.9 | -76.2 | -179.5 | -9 | 0 | 0 | 106.8 | M1 Q5 | M1-Q3 PolarHBondContact O-N 2.54Å; M1-Q3 VanDerWaalsContact O-N 3.08Å; Q3-Q5 PolarHBondContact O-N 3.5Å | ||
| 4 | K | 58.4 | Low | 71.7 | Confident | 207 Ų | 207 | 114.9 Ų | 114.9 | 90% | 0.9 | 59% | 0.585 | S | S | * | * | trans | -57.1 | 114.4 | 169.7 | -80.5 | -176.8 | 174.2 | -179 | 0 | 106.6 | G2 | G2-K4 PolarHBondContact O-N 2.74Å; G2-K4 VanDerWaalsContact O-N 3.09Å | ||
| 5 | Q | 61.4 | Low | 73 | Confident | 123 Ų | 123 | 111.9 Ų | 111.9 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | trans | -59 | 139.1 | 178.6 | -68.7 | -173.4 | -2.7 | 0 | 0 | 109.2 | Q3 K7 | Q3-Q5 PolarHBondContact O-N 3.5Å; Q5-K7 PolarHBondContact O-N 2.99Å; Q5-K7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | P | 70.5 | Confident | 74.1 | Confident | 65 Ų | 65 | 105.2 Ų | 105.2 | 42% | 0.422 | 53% | 0.534 | S | S | . | . | trans | -61.3 | 121.7 | 175.5 | 24.6 | -30.9 | 0 | 0 | 0 | 108.8 | Y31 L35 | P6-Y31 HydrophobicContact CB-CE1 4.36Å; P6-L35 HydrophobicContact CB-CD1 3.45Å; P6-L35 VanDerWaalsContact CB-CD1 3.45Å; P6-L35 HydrophobicContact CG-CD1 3.93Å | ||
| 7 | K | 75.9 | Confident | 75.2 | Confident | 161 Ų | 161 | 102.9 Ų | 102.9 | 70% | 0.7 | 52% | 0.523 | S | S | * | . | trans | -117.8 | 135.8 | 175.9 | -81.9 | -170.3 | 172.7 | -169.8 | 0 | 109 | Q5 | Q5-K7 PolarHBondContact O-N 2.99Å; Q5-K7 VanDerWaalsContact O-N 3.16Å | ||
| 8 | L | 83.2 | Confident | 76.2 | Confident | 25 Ų | 25 | 105.1 Ų | 105.1 | 13% | 0.131 | 54% | 0.536 | C | S | . | . | trans | -67.6 | 144 | 170.8 | -167.3 | 68.8 | 0 | 0 | 0 | 109 | A12 V13 L16 I27 Y31 F82 | L8-A12 HydrophobicContact CD1-CB 4.17Å; L8-A12 HydrophobicContact CD2-CB 3.97Å; L8-A12 HydrophobicContact CG-CB 3.87Å; L8-V13 HydrophobicContact CB-CG2 3.97Å; L8-V13 HydrophobicContact CD2-CG2 3.92Å; L8-V13 HydrophobicContact CG-CG2 4.17Å; L8-L16 HydrophobicContact CD2-CD1 3.66Å; L8-I27 HydrophobicContact CD2-CG2 4.18Å; L8-Y31 HydrophobicContact CB-CD1 3.93Å; L8-Y31 HydrophobicContact CB-CD2 4.48Å; L8-Y31 HydrophobicContact CB-CE1 4.01Å; L8-Y31 HydrophobicContact CB-CG 4.15Å; L8-Y31 HydrophobicContact CD1-CD2 4Å; L8-Y31 HydrophobicContact CD1-CE1 4.38Å; L8-Y31 HydrophobicContact CD1-CE2 3.63Å; L8-Y31 VanDerWaalsContact N-CE1 3.34Å; L8-F82 HydrophobicContact CD1-CD1 4.3Å; L8-F82 HydrophobicContact CD2-CD1 4.01Å; L8-F82 HydrophobicContact CD2-CE1 3.93Å | ||
| 9 | K | 85.1 | Confident | 76.8 | Confident | 167 Ų | 167 | 103.8 Ų | 103.8 | 73% | 0.726 | 53% | 0.528 | S | S | * | . | trans | -62.4 | 145.4 | 176.5 | -68.8 | -178.1 | -179.5 | 176.2 | 0 | 110.1 | D11 A12 V13 | K9-D11 VanDerWaalsContact C-N 3.32Å; K9-D11 PolarHBondContact O-N 3.23Å; K9-A12 PolarHBondContact O-N 3Å; K9-A12 VanDerWaalsContact O-N 3.07Å; K9-V13 PolarHBondContact O-N 2.8Å; K9-V13 VanDerWaalsContact O-N 3.08Å | ||
| 10 | Q | 84.3 | Confident | 77.5 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | -175 | -165.2 | 64.4 | 21.3 | 0 | 0 | 112.4 | A12 V13 E14 | Q10-A12 VanDerWaalsContact C-N 3.26Å; Q10-A12 PolarHBondContact O-N 2.85Å; Q10-V13 WeakPolarHBondContact O-CA 3.23Å; Q10-V13 WeakPolarHBondContact O-CB 3.06Å; Q10-V13 PolarHBondContact O-N 2.7Å; Q10-E14 WeakPolarHBondContact O-CG 3.29Å; Q10-E14 PolarHBondContact O-N 2.69Å |
| 11 | D | 86.8 | Confident | 78.1 | Confident | 126 Ų | 126 | 97.7 Ų | 97.7 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.6 | -38.8 | 178.8 | -50.1 | -12.2 | 0 | 0 | 0 | 112.3 | K9 E14 E15 | K9-D11 VanDerWaalsContact C-N 3.32Å; K9-D11 PolarHBondContact O-N 3.23Å; D11-E14 PolarHBondContact O-N 3.14Å; D11-E15 PolarHBondContact O-N 2.83Å |
| 12 | A | 87.9 | Confident | 80.6 | Confident | 30 Ų | 30 | 86.6 Ų | 86.6 | 25% | 0.248 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -73.9 | -31 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 K9 Q10 L16 | L8-A12 HydrophobicContact CD1-CB 4.17Å; L8-A12 HydrophobicContact CD2-CB 3.97Å; L8-A12 HydrophobicContact CG-CB 3.87Å; K9-A12 PolarHBondContact O-N 3Å; K9-A12 VanDerWaalsContact O-N 3.07Å; Q10-A12 VanDerWaalsContact C-N 3.26Å; Q10-A12 PolarHBondContact O-N 2.85Å; A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 VanDerWaalsContact O-CG 3.25Å; A12-L16 WeakPolarHBondContact O-CG 3.28Å; A12-L16 PolarHBondContact O-N 2.94Å; A12-L16 VanDerWaalsContact O-N 3.11Å |
| 13 | V | 88.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 86.2 Ų | 86.2 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 110 | L8 K9 Q10 E15 L16 L17 E24 | L8-V13 HydrophobicContact CB-CG2 3.97Å; L8-V13 HydrophobicContact CD2-CG2 3.92Å; L8-V13 HydrophobicContact CG-CG2 4.17Å; K9-V13 PolarHBondContact O-N 2.8Å; K9-V13 VanDerWaalsContact O-N 3.08Å; Q10-V13 WeakPolarHBondContact O-CA 3.23Å; Q10-V13 WeakPolarHBondContact O-CB 3.06Å; Q10-V13 PolarHBondContact O-N 2.7Å; V13-E15 VanDerWaalsContact C-N 3.34Å; V13-E15 PolarHBondContact O-N 3.39Å; V13-L16 PolarHBondContact O-N 3.41Å; V13-L17 HydrophobicContact CG1-CD1 4.03Å; V13-L17 HydrophobicContact CG1-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 2.96Å; V13-L17 PolarHBondContact O-N 3.02Å; V13-E24 HydrophobicContact CG1-CG 3.88Å |
| 14 | E | 90.2 | Very high | 84.9 | Confident | 100 Ų | 100 | 81.5 Ų | 81.5 | 47% | 0.467 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.6 | -71.2 | 177.4 | -168.5 | 0 | 0 | 112 | Q10 D11 L17 N18 | Q10-E14 WeakPolarHBondContact O-CG 3.29Å; Q10-E14 PolarHBondContact O-N 2.69Å; D11-E14 PolarHBondContact O-N 3.14Å; E14-L17 PolarHBondContact O-N 3.44Å; E14-N18 PolarHBondContact O-N 3.12Å; E14-N18 PolarHBondContact O-ND2 3.24Å |
| 15 | E | 90.6 | Very high | 86.4 | Confident | 70 Ų | 70 | 76 Ų | 76 | 33% | 0.327 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 173 | -176.3 | -179.9 | 178.7 | 0 | 0 | 111.7 | D11 V13 L17 N18 Q19 R83 | D11-E15 PolarHBondContact O-N 2.83Å; V13-E15 VanDerWaalsContact C-N 3.34Å; V13-E15 PolarHBondContact O-N 3.39Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.27Å; E15-N18 PolarHBondContact O-N 3.12Å; E15-N18 VanDerWaalsContact O-N 3.08Å; E15-Q19 HydrophobicContact CG-CG 4.45Å; E15-Q19 VanDerWaalsContact CG-NE2 3.31Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.24Å; E15-Q19 PolarHBondContact OE1-NE2 3.43Å; E15-R83 IonicContact OE1-CZ 3.95Å; E15-R83 IonicContact OE1-NE 3.94Å; E15-R83 PolarHBondContact OE1-NE 3.27Å; E15-R83 IonicContact OE1-NH1 2.89Å; E15-R83 IonicContact OE1-NH2 3.95Å; E15-R83 PolarHBondContact OE1-NH2 3.16Å |
| 16 | L | 91.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.9 | -31.4 | -178.5 | -70.8 | 171.6 | 0 | 0 | 0 | 113 | L8 A12 V13 N18 Q19 T20 I27 F82 R83 L86 | L8-L16 HydrophobicContact CD2-CD1 3.66Å; A12-L16 WeakPolarHBondContact O-CB 3.23Å; A12-L16 VanDerWaalsContact O-CG 3.25Å; A12-L16 WeakPolarHBondContact O-CG 3.28Å; A12-L16 PolarHBondContact O-N 2.94Å; A12-L16 VanDerWaalsContact O-N 3.11Å; V13-L16 PolarHBondContact O-N 3.41Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 2.65Å; L16-Q19 PolarHBondContact O-N 3.42Å; L16-T20 WeakPolarHBondContact O-CB 3.4Å; L16-T20 PolarHBondContact O-N 3.06Å; L16-T20 PolarHBondContact O-OG1 3.41Å; L16-I27 HydrophobicContact CB-CD1 3.91Å; L16-I27 HydrophobicContact CB-CG2 4.46Å; L16-I27 HydrophobicContact CD1-CG2 3.92Å; L16-F82 HydrophobicContact CD1-CD1 3.94Å; L16-F82 HydrophobicContact CD1-CE1 3.7Å; L16-R83 HydrophobicContact CD2-CB 4.28Å; L16-R83 HydrophobicContact CD2-CG 3.99Å; L16-L86 HydrophobicContact CB-CD2 4.33Å; L16-L86 HydrophobicContact CD1-CD2 3.92Å; L16-L86 HydrophobicContact CD2-CB 4.43Å; L16-L86 HydrophobicContact CD2-CD2 4.19Å; L16-L86 HydrophobicContact CG-CD2 4.39Å |
| 17 | L | 92.3 | Very high | 88.8 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -32.5 | 171.4 | -76.1 | 171.9 | 0 | 0 | 0 | 112 | V13 E14 E15 F22 E24 I27 | V13-L17 HydrophobicContact CG1-CD1 4.03Å; V13-L17 HydrophobicContact CG1-CG 4.33Å; V13-L17 WeakPolarHBondContact O-CB 3.39Å; V13-L17 VanDerWaalsContact O-CG 3.29Å; V13-L17 WeakPolarHBondContact O-CG 2.96Å; V13-L17 PolarHBondContact O-N 3.02Å; E14-L17 PolarHBondContact O-N 3.44Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.27Å; L17-F22 WeakPolarHBondContact CD2-O 3.38Å; L17-E24 HydrophobicContact CD1-CB 4.49Å; L17-E24 HydrophobicContact CD2-CB 4.35Å; L17-I27 HydrophobicContact CD2-CD1 3.64Å; L17-I27 HydrophobicContact CG-CD1 3.73Å |
| 18 | N | 92.2 | Very high | 89.5 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 77% | 0.765 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -82.7 | -27.7 | 177.6 | -69.8 | -41 | 0 | 0 | 0 | 112.9 | E14 E15 L16 | E14-N18 PolarHBondContact O-N 3.12Å; E14-N18 PolarHBondContact O-ND2 3.24Å; E15-N18 PolarHBondContact O-N 3.12Å; E15-N18 VanDerWaalsContact O-N 3.08Å; L16-N18 VanDerWaalsContact C-N 3.26Å; L16-N18 PolarHBondContact O-N 2.65Å |
| 19 | Q | 88.6 | Confident | 89.8 | Confident | 80 Ų | 80 | 61.9 Ų | 61.9 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -92.5 | -21.8 | -177.2 | -70.5 | 175.2 | 1.3 | 0 | 0 | 113.6 | E15 L16 | E15-Q19 HydrophobicContact CG-CG 4.45Å; E15-Q19 VanDerWaalsContact CG-NE2 3.31Å; E15-Q19 WeakPolarHBondContact O-CG 3.49Å; E15-Q19 PolarHBondContact O-N 3.24Å; E15-Q19 PolarHBondContact OE1-NE2 3.43Å; L16-Q19 PolarHBondContact O-N 3.42Å |
| 20 | T | 90.9 | Very high | 89.9 | Confident | 13 Ų | 13 | 54 Ų | 54 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -128.4 | 162.1 | -173 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | L16 F22 L86 N90 | L16-T20 WeakPolarHBondContact O-CB 3.4Å; L16-T20 PolarHBondContact O-N 3.06Å; L16-T20 PolarHBondContact O-OG1 3.41Å; T20-F22 HydrophobicContact CG2-CD2 4.29Å; T20-F22 PolarHBondContact O-N 3.49Å; T20-F22 WeakPolarHBondContact OG1-CD2 3.4Å; T20-F22 PolarHBondContact OG1-N 3.4Å; T20-L86 HydrophobicContact CG2-CG 4.45Å; T20-N90 HydrophobicContact CG2-CB 4.01Å |
| 21 | S | 89.9 | Confident | 90.2 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 46% | 0.462 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -84.1 | 3.9 | 173.7 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | N90 R94 | S21-N90 PolarHBondContact N-OD1 3.07Å; S21-N90 PolarHBondContact OG-OD1 3.38Å; S21-R94 PolarHBondContact O-NH1 2.93Å; S21-R94 WeakPolarHBondContact OG-CD 3.4Å; S21-R94 PolarHBondContact OG-NH1 3.41Å |
| 22 | F | 90.7 | Very high | 90.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | trans | -74.4 | 142.5 | -177.5 | -66.8 | -72.1 | 0 | 0 | 0 | 111.5 | L17 T20 E26 I27 W30 L86 L89 N90 R94 | L17-F22 WeakPolarHBondContact CD2-O 3.38Å; T20-F22 HydrophobicContact CG2-CD2 4.29Å; T20-F22 PolarHBondContact O-N 3.49Å; T20-F22 WeakPolarHBondContact OG1-CD2 3.4Å; T20-F22 PolarHBondContact OG1-N 3.4Å; F22-E26 HydrophobicContact CB-CB 4.24Å; F22-E26 HydrophobicContact CD1-CB 4.16Å; F22-I27 HydrophobicContact CB-CD1 4.49Å; F22-I27 HydrophobicContact CB-CG1 3.82Å; F22-W30 AromaticContact CD1-NE1 3.92Å; F22-W30 AromaticContact CE1-NE1 3.58Å; F22-L86 HydrophobicContact CD2-CD1 3.65Å; F22-L86 HydrophobicContact CD2-CD2 4.2Å; F22-L86 HydrophobicContact CD2-CG 3.75Å; F22-L86 HydrophobicContact CE2-CD1 3.6Å; F22-L86 HydrophobicContact CE2-CG 3.94Å; F22-L86 HydrophobicContact CG-CD1 4.28Å; F22-L86 HydrophobicContact CZ-CD1 4.2Å; F22-L89 HydrophobicContact CE2-CB 4.22Å; F22-L89 HydrophobicContact CZ-CB 4.14Å; F22-N90 HydrophobicContact CD2-CB 4.47Å; F22-N90 HydrophobicContact CE2-CB 3.9Å; F22-R94 VanDerWaalsContact CD1-NH2 3.28Å; F22-R94 VanDerWaalsContact CE1-NE 3.32Å | ||
| 23 | T | 91.5 | Very high | 90 | Very high | 74 Ų | 74 | 47.1 Ų | 47.1 | 45% | 0.454 | 25% | 0.248 | S | C | . | . | trans | -76.1 | 160.1 | 170.6 | 62.4 | 0 | 0 | 0 | 0 | 110.9 | T25 E26 I27 | T23-T25 VanDerWaalsContact C-N 3.27Å; T23-T25 PolarHBondContact O-N 3.25Å; T23-E26 PolarHBondContact N-OE2 3.23Å; T23-E26 WeakPolarHBondContact O-CA 3.18Å; T23-E26 WeakPolarHBondContact O-CB 3.46Å; T23-E26 PolarHBondContact O-N 3.48Å; T23-E26 WeakPolarHBondContact OG1-CG 3.45Å; T23-E26 PolarHBondContact OG1-N 3.33Å; T23-E26 PolarHBondContact OG1-OE2 2.93Å; T23-I27 WeakPolarHBondContact O-CG1 3.33Å; T23-I27 PolarHBondContact O-N 3.15Å | ||
| 24 | E | 92.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.4 | -43.2 | 178.2 | 178.9 | 171 | -159.7 | 0 | 0 | 112.3 | V13 L17 E26 I27 Q28 | V13-E24 HydrophobicContact CG1-CG 3.88Å; L17-E24 HydrophobicContact CD1-CB 4.49Å; L17-E24 HydrophobicContact CD2-CB 4.35Å; E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 2.92Å; E24-I27 PolarHBondContact O-N 3.21Å; E24-Q28 WeakPolarHBondContact O-CG 3.31Å; E24-Q28 PolarHBondContact O-N 3.29Å |
| 25 | T | 90.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 43.8 Ų | 43.8 | 56% | 0.564 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -58.8 | -44.6 | 175.4 | -51 | 0 | 0 | 0 | 0 | 111.5 | T23 Q28 D29 | T23-T25 VanDerWaalsContact C-N 3.27Å; T23-T25 PolarHBondContact O-N 3.25Å; T25-Q28 PolarHBondContact O-N 3.33Å; T25-D29 PolarHBondContact O-N 3.31Å |
| 26 | E | 90.8 | Very high | 89.4 | Confident | 30 Ų | 30 | 47.9 Ų | 47.9 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 178.5 | -68.8 | 176.1 | 127.5 | 0 | 0 | 112.1 | F22 T23 E24 Q28 D29 W30 R94 K236 | F22-E26 HydrophobicContact CB-CB 4.24Å; F22-E26 HydrophobicContact CD1-CB 4.16Å; T23-E26 PolarHBondContact N-OE2 3.23Å; T23-E26 WeakPolarHBondContact O-CA 3.18Å; T23-E26 WeakPolarHBondContact O-CB 3.46Å; T23-E26 PolarHBondContact O-N 3.48Å; T23-E26 WeakPolarHBondContact OG1-CG 3.45Å; T23-E26 PolarHBondContact OG1-N 3.33Å; T23-E26 PolarHBondContact OG1-OE2 2.93Å; E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 2.92Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.46Å; E26-D29 PolarHBondContact O-N 2.6Å; E26-W30 WeakPolarHBondContact O-CB 3.38Å; E26-W30 PolarHBondContact O-N 3.11Å; E26-R94 IonicContact OE1-CZ 3.79Å; E26-R94 IonicContact OE1-NH2 2.7Å; E26-R94 PolarHBondContact OE1-NH2 3.38Å; E26-R94 IonicContact OE2-CZ 2.63Å; E26-R94 IonicContact OE2-NH1 3.78Å; E26-R94 IonicContact OE2-NH2 3.99Å; E26-R94 PolarHBondContact OE2-NH2 3.4Å; E26-K236 IonicContact OE1-NZ 3.48Å; E26-K236 PolarHBondContact OE1-NZ 3.09Å |
| 27 | I | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 176 | -64.1 | 168.5 | 0 | 0 | 0 | 109.8 | L8 L16 L17 F22 T23 E24 D29 W30 Y31 F82 L86 | L8-I27 HydrophobicContact CD2-CG2 4.18Å; L16-I27 HydrophobicContact CB-CD1 3.91Å; L16-I27 HydrophobicContact CB-CG2 4.46Å; L16-I27 HydrophobicContact CD1-CG2 3.92Å; L17-I27 HydrophobicContact CD2-CD1 3.64Å; L17-I27 HydrophobicContact CG-CD1 3.73Å; F22-I27 HydrophobicContact CB-CD1 4.49Å; F22-I27 HydrophobicContact CB-CG1 3.82Å; T23-I27 WeakPolarHBondContact O-CG1 3.33Å; T23-I27 PolarHBondContact O-N 3.15Å; E24-I27 PolarHBondContact O-N 3.21Å; I27-D29 PolarHBondContact O-N 3.07Å; I27-W30 PolarHBondContact O-N 3.49Å; I27-Y31 WeakPolarHBondContact O-CB 3.34Å; I27-Y31 PolarHBondContact O-N 3.26Å; I27-F82 HydrophobicContact CG2-CE1 4.01Å; I27-F82 HydrophobicContact CG2-CZ 4.39Å; I27-F82 WeakPolarHBondContact O-CZ 3.34Å; I27-L86 HydrophobicContact CB-CD2 4.31Å; I27-L86 HydrophobicContact CG1-CD2 3.85Å; I27-L86 HydrophobicContact CG2-CD2 4.06Å |
| 28 | Q | 90 | Very high | 88.3 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 179 | -66.7 | -70.9 | -16.5 | 0 | 0 | 112.3 | E24 T25 E26 Y31 K32 | E24-Q28 WeakPolarHBondContact O-CG 3.31Å; E24-Q28 PolarHBondContact O-N 3.29Å; T25-Q28 PolarHBondContact O-N 3.33Å; E26-Q28 VanDerWaalsContact C-N 3.31Å; E26-Q28 PolarHBondContact O-N 3.46Å; Q28-Y31 PolarHBondContact O-N 2.92Å; Q28-K32 VanDerWaalsContact O-CG 3.32Å; Q28-K32 WeakPolarHBondContact O-CG 3.36Å; Q28-K32 PolarHBondContact O-N 3.36Å |
| 29 | D | 89.3 | Confident | 88 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 178.1 | -72.6 | -18.6 | 0 | 0 | 0 | 112 | T25 E26 I27 Y31 K32 G33 | T25-D29 PolarHBondContact O-N 3.31Å; E26-D29 PolarHBondContact O-N 2.6Å; I27-D29 PolarHBondContact O-N 3.07Å; D29-Y31 VanDerWaalsContact C-N 3.33Å; D29-K32 PolarHBondContact O-N 2.8Å; D29-K32 IonicContact OD1-NZ 2.75Å; D29-G33 PolarHBondContact O-N 3.12Å |
| 30 | W | 88.6 | Confident | 88 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 172.2 | -80.3 | 121.6 | 0 | 0 | 0 | 112 | F22 E26 I27 K32 G33 F34 F82 F85 L86 L89 V230 N231 F234 | F22-W30 AromaticContact CD1-NE1 3.92Å; F22-W30 AromaticContact CE1-NE1 3.58Å; E26-W30 WeakPolarHBondContact O-CB 3.38Å; E26-W30 PolarHBondContact O-N 3.11Å; I27-W30 PolarHBondContact O-N 3.49Å; W30-K32 PolarHBondContact O-N 2.84Å; W30-G33 PolarHBondContact O-N 3.07Å; W30-F34 WeakPolarHBondContact O-CB 3.48Å; W30-F34 PolarHBondContact O-N 2.88Å; W30-F82 VanDerWaalsContact C-CE2 3.48Å; W30-F82 HydrophobicContact CB-CE2 3.88Å; W30-F82 HydrophobicContact CB-CZ 3.86Å; W30-F85 AromaticContact CE3-CE1 3.75Å; W30-F85 HydrophobicContact CE3-CE1 3.75Å; W30-F85 HydrophobicContact CE3-CZ 4.05Å; W30-F85 HydrophobicContact CZ3-CE1 4.09Å; W30-F85 AromaticContact CZ3-CZ 3.92Å; W30-F85 HydrophobicContact CZ3-CZ 3.92Å; W30-L86 HydrophobicContact CB-CD1 3.99Å; W30-L86 HydrophobicContact CG-CD1 3.86Å; W30-L89 HydrophobicContact CD2-CD1 4.06Å; W30-L89 HydrophobicContact CE3-CD1 3.85Å; W30-L89 HydrophobicContact CH2-CD1 3.78Å; W30-L89 HydrophobicContact CZ2-CD1 4.06Å; W30-L89 HydrophobicContact CZ3-CD1 3.63Å; W30-V230 HydrophobicContact CH2-CG1 4.2Å; W30-V230 HydrophobicContact CZ3-CG1 3.9Å; W30-N231 HydrophobicContact CH2-CB 4.33Å; W30-N231 WeakPolarHBondContact CH2-OD1 3.5Å; W30-N231 WeakPolarHBondContact CZ2-OD1 3.49Å; W30-F234 HydrophobicContact CE3-CB 3.75Å; W30-F234 HydrophobicContact CE3-CG 4.45Å; W30-F234 HydrophobicContact CH2-CB 4.4Å; W30-F234 HydrophobicContact CZ3-CB 3.37Å; W30-F234 HydrophobicContact CZ3-CD2 4.24Å; W30-F234 HydrophobicContact CZ3-CG 4.1Å |
| 31 | Y | 89.3 | Confident | 87.9 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 17% | 0.169 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 179.1 | -174.9 | -118.6 | 0 | 0 | 0 | 112.1 | P6 L8 I27 Q28 D29 F34 L35 F82 | P6-Y31 HydrophobicContact CB-CE1 4.36Å; L8-Y31 HydrophobicContact CB-CD1 3.93Å; L8-Y31 HydrophobicContact CB-CD2 4.48Å; L8-Y31 HydrophobicContact CB-CE1 4.01Å; L8-Y31 HydrophobicContact CB-CG 4.15Å; L8-Y31 HydrophobicContact CD1-CD2 4Å; L8-Y31 HydrophobicContact CD1-CE1 4.38Å; L8-Y31 HydrophobicContact CD1-CE2 3.63Å; L8-Y31 VanDerWaalsContact N-CE1 3.34Å; I27-Y31 WeakPolarHBondContact O-CB 3.34Å; I27-Y31 PolarHBondContact O-N 3.26Å; Q28-Y31 PolarHBondContact O-N 2.92Å; D29-Y31 VanDerWaalsContact C-N 3.33Å; Y31-F34 PolarHBondContact O-N 3.48Å; Y31-L35 HydrophobicContact CD1-CD1 4.07Å; Y31-L35 HydrophobicContact CD2-CD1 4.48Å; Y31-L35 HydrophobicContact CD2-CG 4.48Å; Y31-L35 HydrophobicContact CE1-CD1 3.49Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.49Å; Y31-L35 HydrophobicContact CE1-CG 4.44Å; Y31-L35 HydrophobicContact CE2-CD1 3.96Å; Y31-L35 HydrophobicContact CE2-CG 4.12Å; Y31-L35 VanDerWaalsContact CZ-CD1 3.46Å; Y31-L35 PolarHBondContact O-N 2.72Å; Y31-F82 VanDerWaalsContact CA-CZ 3.49Å; Y31-F82 HydrophobicContact CD2-CB 4.1Å; Y31-F82 AromaticContact CD2-CD1 3.56Å; Y31-F82 HydrophobicContact CD2-CD1 3.56Å; Y31-F82 AromaticContact CD2-CD2 3.86Å; Y31-F82 HydrophobicContact CD2-CD2 3.86Å; Y31-F82 AromaticContact CD2-CE1 3.9Å; Y31-F82 HydrophobicContact CD2-CE1 3.9Å; Y31-F82 HydrophobicContact CD2-CE2 4.2Å; Y31-F82 AromaticContact CD2-CG 3.53Å; Y31-F82 HydrophobicContact CD2-CG 3.53Å; Y31-F82 HydrophobicContact CD2-CZ 4.21Å; Y31-F82 HydrophobicContact CE2-CB 4.27Å; Y31-F82 HydrophobicContact CE2-CD1 4.28Å; Y31-F82 HydrophobicContact CE2-CG 4.18Å; Y31-F82 HydrophobicContact CG-CD1 4.36Å; Y31-F82 HydrophobicContact CG-CE1 4.26Å; Y31-F82 HydrophobicContact CG-CZ 4.39Å; Y31-F82 VanDerWaalsContact N-CE2 3.3Å; Y31-F82 VanDerWaalsContact N-CZ 3.31Å |
| 32 | K | 87.6 | Confident | 88 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 21% | 0.213 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 174.2 | -70.6 | 168.9 | -173.2 | 169.2 | 0 | 111.7 | Q28 D29 W30 K36 | Q28-K32 VanDerWaalsContact O-CG 3.32Å; Q28-K32 WeakPolarHBondContact O-CG 3.36Å; Q28-K32 PolarHBondContact O-N 3.36Å; D29-K32 PolarHBondContact O-N 2.8Å; D29-K32 IonicContact OD1-NZ 2.75Å; W30-K32 PolarHBondContact O-N 2.84Å; K32-K36 WeakPolarHBondContact O-CB 3.19Å; K32-K36 PolarHBondContact O-N 3.41Å; K32-K36 VanDerWaalsContact O-N 3.11Å |
| 33 | G | 84 | Confident | 88 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D29 W30 L35 K36 E37 F234 | D29-G33 PolarHBondContact O-N 3.12Å; W30-G33 PolarHBondContact O-N 3.07Å; G33-L35 PolarHBondContact O-N 2.88Å; G33-K36 WeakPolarHBondContact O-CB 3.16Å; G33-K36 PolarHBondContact O-N 3.22Å; G33-E37 PolarHBondContact O-N 3.26Å; G33-F234 VanDerWaalsContact C-CD1 3.44Å; G33-F234 WeakPolarHBondContact O-CD1 3.33Å |
| 34 | F | 86.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.6 | -50.8 | -179.7 | -174.3 | -94 | 0 | 0 | 0 | 112 | W30 Y31 K36 E37 C38 G41 L43 F82 F85 F234 | W30-F34 WeakPolarHBondContact O-CB 3.48Å; W30-F34 PolarHBondContact O-N 2.88Å; Y31-F34 PolarHBondContact O-N 3.48Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 2.8Å; F34-E37 PolarHBondContact O-N 2.92Å; F34-C38 HydrophobicContact CE1-CB 4.4Å; F34-C38 WeakPolarHBondContact O-CA 3.41Å; F34-C38 WeakPolarHBondContact O-CB 3.49Å; F34-C38 PolarHBondContact O-N 2.89Å; F34-G41 WeakPolarHBondContact CE1-O 3.38Å; F34-L43 HydrophobicContact CE2-CD1 3.79Å; F34-L43 HydrophobicContact CE2-CG 4.22Å; F34-L43 HydrophobicContact CZ-CD1 4.38Å; F34-L43 HydrophobicContact CZ-CG 4.35Å; F34-F82 HydrophobicContact CB-CD2 3.74Å; F34-F82 HydrophobicContact CB-CE2 4.09Å; F34-F82 HydrophobicContact CD1-CB 4.19Å; F34-F82 HydrophobicContact CD1-CD2 4.08Å; F34-F82 HydrophobicContact CD2-CD2 4.28Å; F34-F82 HydrophobicContact CE1-CB 4.25Å; F34-F82 AromaticContact CG-CD2 3.78Å; F34-F82 HydrophobicContact CG-CD2 3.78Å; F34-F85 HydrophobicContact CD2-CB 4.17Å; F34-F85 AromaticContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD2 4.12Å; F34-F85 HydrophobicContact CD2-CE1 4.13Å; F34-F85 HydrophobicContact CD2-CE2 4.42Å; F34-F85 AromaticContact CD2-CG 3.76Å; F34-F85 HydrophobicContact CD2-CG 3.76Å; F34-F85 HydrophobicContact CD2-CZ 4.41Å; F34-F85 HydrophobicContact CE2-CB 3.87Å; F34-F85 HydrophobicContact CE2-CD1 4.36Å; F34-F85 HydrophobicContact CE2-CD2 4.16Å; F34-F85 AromaticContact CE2-CG 3.89Å; F34-F85 HydrophobicContact CE2-CG 3.89Å; F34-F234 HydrophobicContact CB-CE1 4.5Å; F34-F234 HydrophobicContact CD2-CE1 4.45Å; F34-F234 HydrophobicContact CD2-CZ 4.5Å |
| 35 | L | 87.7 | Confident | 88.1 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -24.9 | 178.7 | -72.7 | 179 | 0 | 0 | 0 | 114.3 | P6 Y31 G33 C38 P39 | P6-L35 HydrophobicContact CB-CD1 3.45Å; P6-L35 VanDerWaalsContact CB-CD1 3.45Å; P6-L35 HydrophobicContact CG-CD1 3.93Å; Y31-L35 HydrophobicContact CD1-CD1 4.07Å; Y31-L35 HydrophobicContact CD2-CD1 4.48Å; Y31-L35 HydrophobicContact CD2-CG 4.48Å; Y31-L35 HydrophobicContact CE1-CD1 3.49Å; Y31-L35 VanDerWaalsContact CE1-CD1 3.49Å; Y31-L35 HydrophobicContact CE1-CG 4.44Å; Y31-L35 HydrophobicContact CE2-CD1 3.96Å; Y31-L35 HydrophobicContact CE2-CG 4.12Å; Y31-L35 VanDerWaalsContact CZ-CD1 3.46Å; Y31-L35 PolarHBondContact O-N 2.72Å; G33-L35 PolarHBondContact O-N 2.88Å; L35-C38 CarbonylContact O-C 3.34Å; L35-P39 WeakPolarHBondContact O-CA 3.34Å |
| 36 | K | 83.4 | Confident | 88.1 | Confident | 156 Ų | 156 | 46.5 Ų | 46.5 | 68% | 0.678 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.2 | -42.9 | 175.9 | -176.7 | -174.9 | 173.2 | -167.3 | 0 | 111.2 | K32 G33 F34 | K32-K36 WeakPolarHBondContact O-CB 3.19Å; K32-K36 PolarHBondContact O-N 3.41Å; K32-K36 VanDerWaalsContact O-N 3.11Å; G33-K36 WeakPolarHBondContact O-CB 3.16Å; G33-K36 PolarHBondContact O-N 3.22Å; F34-K36 VanDerWaalsContact C-N 3.28Å; F34-K36 PolarHBondContact O-N 2.8Å |
| 37 | E | 77.3 | Confident | 88 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.332 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -80.3 | -30.5 | 176.3 | -60.5 | -63.3 | 131 | 0 | 0 | 111.6 | G33 F34 F234 | G33-E37 PolarHBondContact O-N 3.26Å; F34-E37 PolarHBondContact O-N 2.92Å; E37-F234 HydrophobicContact CB-CE1 3.77Å; E37-F234 HydrophobicContact CB-CZ 4.43Å; E37-F234 HydrophobicContact CG-CD1 4Å; E37-F234 HydrophobicContact CG-CE1 3.65Å; E37-F234 HydrophobicContact CG-CZ 4.43Å |
| 38 | C | 83.3 | Confident | 87.9 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -129.6 | 78.1 | -175.1 | -48.3 | 0 | 0 | 0 | 0 | 111.3 | F34 L35 T40 G41 L43 | F34-C38 HydrophobicContact CE1-CB 4.4Å; F34-C38 WeakPolarHBondContact O-CA 3.41Å; F34-C38 WeakPolarHBondContact O-CB 3.49Å; F34-C38 PolarHBondContact O-N 2.89Å; L35-C38 CarbonylContact O-C 3.34Å; C38-T40 PolarHBondContact O-N 2.99Å; C38-G41 PolarHBondContact O-N 2.96Å; C38-L43 HydrophobicContact CB-CD2 4.5Å; C38-L43 WeakPolarHBondContact SG-CD2 3.45Å; C38-L43 WeakPolarHBondContact SG-CG 3.49Å | ||
| 39 | P | 85.2 | Confident | 87.8 | Confident | 113 Ų | 113 | 48 Ų | 48 | 73% | 0.734 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | -177.3 | -25.3 | 35.4 | 0 | 0 | 0 | 114.6 | L35 G41 | L35-P39 WeakPolarHBondContact O-CA 3.34Å; P39-G41 VanDerWaalsContact C-N 3.27Å |
| 40 | T | 88.3 | Confident | 87.6 | Confident | 79 Ų | 79 | 53.6 Ų | 53.6 | 49% | 0.485 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.7 | 174.4 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | C38 Y42 | C38-T40 PolarHBondContact O-N 2.99Å; T40-Y42 VanDerWaalsContact C-N 3.34Å; T40-Y42 HydrophobicContact CG2-CE2 4.18Å; T40-Y42 VanDerWaalsContact O-CD1 3.31Å; T40-Y42 WeakPolarHBondContact O-CD1 3.42Å; T40-Y42 WeakPolarHBondContact O-CE1 3.29Å; T40-Y42 PolarHBondContact OG1-O 2.62Å |
| 41 | G | 89.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 83 | 6.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F34 C38 P39 | F34-G41 WeakPolarHBondContact CE1-O 3.38Å; C38-G41 PolarHBondContact O-N 2.96Å; P39-G41 VanDerWaalsContact C-N 3.27Å |
| 42 | Y | 91.8 | Very high | 86.8 | Confident | 109 Ų | 109 | 52.6 Ų | 52.6 | 43% | 0.427 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 149.8 | 176.5 | 49.9 | -97.2 | 0 | 0 | 0 | 110.7 | T40 L79 I80 | T40-Y42 VanDerWaalsContact C-N 3.34Å; T40-Y42 HydrophobicContact CG2-CE2 4.18Å; T40-Y42 VanDerWaalsContact O-CD1 3.31Å; T40-Y42 WeakPolarHBondContact O-CD1 3.42Å; T40-Y42 WeakPolarHBondContact O-CE1 3.29Å; T40-Y42 PolarHBondContact OG1-O 2.62Å; Y42-L79 HydrophobicContact CD2-CD1 4.17Å; Y42-L79 HydrophobicContact CD2-CD2 3.92Å; Y42-L79 HydrophobicContact CG-CD1 4.17Å; Y42-I80 WeakPolarHBondContact CA-O 3.38Å |
| 43 | L | 90.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119 | 173.1 | -81 | 166.2 | 0 | 0 | 0 | 109.4 | F34 C38 D47 F48 L79 I80 | F34-L43 HydrophobicContact CE2-CD1 3.79Å; F34-L43 HydrophobicContact CE2-CG 4.22Å; F34-L43 HydrophobicContact CZ-CD1 4.38Å; F34-L43 HydrophobicContact CZ-CG 4.35Å; C38-L43 HydrophobicContact CB-CD2 4.5Å; C38-L43 WeakPolarHBondContact SG-CD2 3.45Å; C38-L43 WeakPolarHBondContact SG-CG 3.49Å; L43-D47 HydrophobicContact CD2-CB 3.58Å; L43-F48 HydrophobicContact CD1-CD2 4.38Å; L43-L79 WeakPolarHBondContact O-CA 3.46Å; L43-I80 HydrophobicContact CB-CB 4.1Å; L43-I80 PolarHBondContact N-O 2.74Å; L43-I80 PolarHBondContact O-N 3.03Å |
| 44 | S | 92.5 | Very high | 86 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 166.3 | 162.8 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | D46 D47 F48 | S44-D46 PolarHBondContact O-N 3.18Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact N-OD2 3.4Å; S44-D47 WeakPolarHBondContact O-CB 3.49Å; S44-D47 PolarHBondContact O-N 3.22Å; S44-D47 VanDerWaalsContact O-N 3.11Å; S44-D47 PolarHBondContact OG-N 2.69Å; S44-D47 PolarHBondContact OG-OD2 3.21Å; S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.36Å |
| 45 | I | 93 | Very high | 85 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -34.9 | 176.8 | -163.6 | 155.3 | 0 | 0 | 0 | 112.9 | F48 K49 E66 F69 | I45-F48 PolarHBondContact O-N 3.48Å; I45-K49 WeakPolarHBondContact O-CB 3.31Å; I45-K49 VanDerWaalsContact O-CG 3.29Å; I45-K49 WeakPolarHBondContact O-CG 3.46Å; I45-K49 PolarHBondContact O-N 2.85Å; I45-E66 HydrophobicContact CD1-CB 4.24Å; I45-E66 HydrophobicContact CD1-CG 3.91Å; I45-E66 HydrophobicContact CG1-CG 4.46Å; I45-F69 HydrophobicContact CB-CD1 4.37Å; I45-F69 HydrophobicContact CB-CD2 4.26Å; I45-F69 HydrophobicContact CB-CE1 4.34Å; I45-F69 HydrophobicContact CB-CE2 4.2Å; I45-F69 HydrophobicContact CB-CG 4.35Å; I45-F69 HydrophobicContact CB-CZ 4.25Å; I45-F69 HydrophobicContact CD1-CB 4.36Å; I45-F69 HydrophobicContact CD1-CD1 3.93Å; I45-F69 HydrophobicContact CD1-CG 4.11Å; I45-F69 HydrophobicContact CG1-CB 4.34Å; I45-F69 HydrophobicContact CG1-CD1 4.19Å; I45-F69 HydrophobicContact CG1-CD2 4.22Å; I45-F69 HydrophobicContact CG1-CG 3.97Å |
| 46 | D | 91.3 | Very high | 84.1 | Confident | 107 Ų | 107 | 59.9 Ų | 59.9 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.8 | -37.1 | 176.8 | -70.7 | -27.5 | 0 | 0 | 0 | 111.7 | S44 R50 | S44-D46 PolarHBondContact O-N 3.18Å; D46-R50 WeakPolarHBondContact O-CB 3.13Å; D46-R50 PolarHBondContact O-N 3.07Å |
| 47 | D | 89 | Confident | 83.4 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 172.9 | -61 | -49 | 0 | 0 | 0 | 111.1 | L43 S44 R50 V51 | L43-D47 HydrophobicContact CD2-CB 3.58Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact N-OD2 3.4Å; S44-D47 WeakPolarHBondContact O-CB 3.49Å; S44-D47 PolarHBondContact O-N 3.22Å; S44-D47 VanDerWaalsContact O-N 3.11Å; S44-D47 PolarHBondContact OG-N 2.69Å; S44-D47 PolarHBondContact OG-OD2 3.21Å; D47-R50 PolarHBondContact O-N 2.89Å; D47-R50 IonicContact OD1-CZ 3.99Å; D47-R50 IonicContact OD1-NH1 2.82Å; D47-R50 PolarHBondContact OD1-NH1 3.2Å; D47-R50 IonicContact OD1-NH2 2.73Å; D47-R50 PolarHBondContact OD1-NH2 3.49Å; D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 2.9Å |
| 48 | F | 88.3 | Confident | 83 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 178.2 | -174 | -91.4 | 0 | 0 | 0 | 111.3 | L43 S44 I45 R50 V51 Y52 A65 V68 F69 F72 I80 | L43-F48 HydrophobicContact CD1-CD2 4.38Å; S44-F48 WeakPolarHBondContact O-CB 3.31Å; S44-F48 PolarHBondContact O-N 3.36Å; I45-F48 PolarHBondContact O-N 3.48Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.04Å; F48-V51 PolarHBondContact O-N 2.95Å; F48-V51 VanDerWaalsContact O-N 3.12Å; F48-Y52 AromaticContact CE1-CD2 3.8Å; F48-Y52 HydrophobicContact CE1-CD2 3.8Å; F48-Y52 HydrophobicContact CE1-CG 4.1Å; F48-Y52 AromaticContact CZ-CD2 3.93Å; F48-Y52 HydrophobicContact CZ-CD2 3.93Å; F48-Y52 VanDerWaalsContact O-CB 3.25Å; F48-Y52 WeakPolarHBondContact O-CB 3.02Å; F48-Y52 PolarHBondContact O-N 3.49Å; F48-A65 HydrophobicContact CD1-CB 4.27Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.47Å; F48-V68 HydrophobicContact CE1-CB 4.1Å; F48-V68 HydrophobicContact CE1-CG1 4.14Å; F48-V68 HydrophobicContact CZ-CB 4.15Å; F48-V68 HydrophobicContact CZ-CG1 3.67Å; F48-F69 HydrophobicContact CB-CD2 3.52Å; F48-F69 HydrophobicContact CB-CE2 4.05Å; F48-F69 HydrophobicContact CD1-CB 3.95Å; F48-F69 HydrophobicContact CD1-CD2 4.1Å; F48-F69 HydrophobicContact CD2-CD2 4.15Å; F48-F69 HydrophobicContact CE1-CB 4.25Å; F48-F69 HydrophobicContact CG-CB 4.36Å; F48-F69 AromaticContact CG-CD2 3.67Å; F48-F69 HydrophobicContact CG-CD2 3.67Å; F48-F72 HydrophobicContact CE2-CD2 4.24Å; F48-I80 HydrophobicContact CD2-CD1 3.64Å; F48-I80 HydrophobicContact CE2-CD1 3.95Å; F48-I80 HydrophobicContact CG-CD1 4.32Å |
| 49 | K | 88.3 | Confident | 82.5 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.7 | -47 | 174.7 | -78 | 171.2 | 174.1 | -179.2 | 0 | 111.7 | I45 V51 Y52 T53 S62 A65 E66 | I45-K49 WeakPolarHBondContact O-CB 3.31Å; I45-K49 VanDerWaalsContact O-CG 3.29Å; I45-K49 WeakPolarHBondContact O-CG 3.46Å; I45-K49 PolarHBondContact O-N 2.85Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 2.83Å; K49-Y52 PolarHBondContact O-N 3.24Å; K49-Y52 VanDerWaalsContact O-N 3.13Å; K49-T53 PolarHBondContact O-N 2.73Å; K49-T53 PolarHBondContact O-OG1 3.21Å; K49-S62 WeakPolarHBondContact CD-OG 3.3Å; K49-S62 WeakPolarHBondContact CE-O 3.32Å; K49-S62 VanDerWaalsContact CE-OG 3.22Å; K49-S62 WeakPolarHBondContact CE-OG 3.27Å; K49-S62 PolarHBondContact NZ-OG 3.34Å; K49-A65 HydrophobicContact CG-CB 3.92Å; K49-E66 WeakPolarHBondContact CE-OE1 3.5Å; K49-E66 IonicContact NZ-OE1 3.79Å; K49-E66 PolarHBondContact NZ-OE1 2.82Å |
| 50 | R | 84.7 | Confident | 82.4 | Confident | 137 Ų | 137 | 62.8 Ų | 62.8 | 52% | 0.517 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 179 | -176.2 | 179.1 | 65.9 | -114.2 | 1.2 | 112.5 | D46 D47 F48 | D46-R50 WeakPolarHBondContact O-CB 3.13Å; D46-R50 PolarHBondContact O-N 3.07Å; D47-R50 PolarHBondContact O-N 2.89Å; D47-R50 IonicContact OD1-CZ 3.99Å; D47-R50 IonicContact OD1-NH1 2.82Å; D47-R50 PolarHBondContact OD1-NH1 3.2Å; D47-R50 IonicContact OD1-NH2 2.73Å; D47-R50 PolarHBondContact OD1-NH2 3.49Å; F48-R50 VanDerWaalsContact C-N 3.31Å; F48-R50 PolarHBondContact O-N 3.04Å |
| 51 | V | 80.2 | Confident | 82.2 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -73.8 | -44.5 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | D47 F48 K49 T53 K54 F55 | D47-V51 WeakPolarHBondContact O-CG2 3.37Å; D47-V51 PolarHBondContact O-N 2.9Å; F48-V51 PolarHBondContact O-N 2.95Å; F48-V51 VanDerWaalsContact O-N 3.12Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 2.83Å; V51-T53 PolarHBondContact O-N 3.07Å; V51-K54 WeakPolarHBondContact O-CB 3.22Å; V51-K54 PolarHBondContact O-N 3.21Å; V51-F55 HydrophobicContact CG1-CE2 4.26Å; V51-F55 WeakPolarHBondContact O-CE2 3.37Å |
| 52 | Y | 81.2 | Confident | 82.1 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | -175.1 | -163.3 | -94.5 | 0 | 0 | 0 | 113.2 | F48 K49 K54 F55 F56 F64 A65 V68 M131 N186 | F48-Y52 AromaticContact CE1-CD2 3.8Å; F48-Y52 HydrophobicContact CE1-CD2 3.8Å; F48-Y52 HydrophobicContact CE1-CG 4.1Å; F48-Y52 AromaticContact CZ-CD2 3.93Å; F48-Y52 HydrophobicContact CZ-CD2 3.93Å; F48-Y52 VanDerWaalsContact O-CB 3.25Å; F48-Y52 WeakPolarHBondContact O-CB 3.02Å; F48-Y52 PolarHBondContact O-N 3.49Å; K49-Y52 PolarHBondContact O-N 3.24Å; K49-Y52 VanDerWaalsContact O-N 3.13Å; Y52-K54 PolarHBondContact O-N 3.22Å; Y52-F55 VanDerWaalsContact O-CD2 3.24Å; Y52-F55 WeakPolarHBondContact O-CD2 3.43Å; Y52-F55 PolarHBondContact O-N 2.83Å; Y52-F55 VanDerWaalsContact O-N 3.16Å; Y52-F56 HydrophobicContact CD1-CD2 4.23Å; Y52-F56 HydrophobicContact CD1-CE2 4.35Å; Y52-F56 AromaticContact CE1-CD2 3.84Å; Y52-F56 HydrophobicContact CE1-CD2 3.84Å; Y52-F56 AromaticContact CE1-CE2 3.62Å; Y52-F56 HydrophobicContact CE1-CE2 3.62Å; Y52-F56 HydrophobicContact CE2-CE2 4.46Å; Y52-F56 AromaticContact CZ-CE2 3.68Å; Y52-F64 HydrophobicContact CE1-CD1 4.16Å; Y52-F64 WeakPolarHBondContact OH-CD1 3.33Å; Y52-F64 WeakPolarHBondContact OH-CE1 3.42Å; Y52-A65 HydrophobicContact CD1-CB 3.5Å; Y52-A65 HydrophobicContact CE1-CB 4.15Å; Y52-A65 HydrophobicContact CG-CB 3.83Å; Y52-V68 HydrophobicContact CE2-CB 4.41Å; Y52-V68 HydrophobicContact CE2-CG1 4.27Å; Y52-V68 HydrophobicContact CE2-CG2 4.2Å; Y52-M131 HydrophobicContact CE1-SD 4.32Å; Y52-N186 PolarHBondContact OH-OD1 2.97Å |
| 53 | T | 78.7 | Confident | 82 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -64.4 | -25.3 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 113 | K49 V51 F55 F56 S61 | K49-T53 PolarHBondContact O-N 2.73Å; K49-T53 PolarHBondContact O-OG1 3.21Å; V51-T53 PolarHBondContact O-N 3.07Å; T53-F55 PolarHBondContact O-N 3.34Å; T53-F55 VanDerWaalsContact O-N 3.09Å; T53-F56 CarbonylContact O-C 3.42Å; T53-F56 PolarHBondContact O-N 3.43Å; T53-S61 WeakPolarHBondContact CA-OG 3.44Å; T53-S61 PolarHBondContact OG1-OG 2.89Å |
| 54 | K | 75.5 | Confident | 81.9 | Confident | 129 Ų | 129 | 58.7 Ų | 58.7 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -60.7 | -22 | 176.1 | -63.6 | 176.7 | -177.6 | 175.6 | 0 | 112.8 | V51 Y52 | V51-K54 WeakPolarHBondContact O-CB 3.22Å; V51-K54 PolarHBondContact O-N 3.21Å; Y52-K54 PolarHBondContact O-N 3.22Å |
| 55 | F | 65.2 | Low | 81.7 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 17% | 0.171 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -86.6 | -19.6 | 178.4 | -53.7 | -70.5 | 0 | 0 | 0 | 113.9 | V51 Y52 T53 P57 I229 Q232 S233 | V51-F55 HydrophobicContact CG1-CE2 4.26Å; V51-F55 WeakPolarHBondContact O-CE2 3.37Å; Y52-F55 VanDerWaalsContact O-CD2 3.24Å; Y52-F55 WeakPolarHBondContact O-CD2 3.43Å; Y52-F55 PolarHBondContact O-N 2.83Å; Y52-F55 VanDerWaalsContact O-N 3.16Å; T53-F55 PolarHBondContact O-N 3.34Å; T53-F55 VanDerWaalsContact O-N 3.09Å; F55-P57 VanDerWaalsContact C-CD 3.44Å; F55-P57 WeakPolarHBondContact O-CD 3.36Å; F55-I229 HydrophobicContact CB-CG2 4.28Å; F55-I229 HydrophobicContact CD1-CG2 3.73Å; F55-I229 HydrophobicContact CD2-CG2 3.29Å; F55-I229 HydrophobicContact CE1-CG2 3.68Å; F55-I229 WeakPolarHBondContact CE1-O 3.48Å; F55-I229 HydrophobicContact CE2-CG2 3.27Å; F55-I229 HydrophobicContact CG-CG2 3.51Å; F55-I229 HydrophobicContact CZ-CG2 3.42Å; F55-I229 VanDerWaalsContact CZ-CG2 3.42Å; F55-I229 WeakPolarHBondContact CZ-O 3.28Å; F55-Q232 HydrophobicContact CE1-CB 4.16Å; F55-S233 VanDerWaalsContact CE1-OG 3.29Å; F55-S233 WeakPolarHBondContact CE1-OG 3.32Å; F55-S233 WeakPolarHBondContact CZ-OG 3.22Å |
| 56 | F | 69.5 | Low | 81.7 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | trans | -126 | 65.1 | -176.6 | -61.5 | -82.6 | 0 | 0 | 0 | 110.5 | Y52 T53 Y58 G59 M131 I229 | Y52-F56 HydrophobicContact CD1-CD2 4.23Å; Y52-F56 HydrophobicContact CD1-CE2 4.35Å; Y52-F56 AromaticContact CE1-CD2 3.84Å; Y52-F56 HydrophobicContact CE1-CD2 3.84Å; Y52-F56 AromaticContact CE1-CE2 3.62Å; Y52-F56 HydrophobicContact CE1-CE2 3.62Å; Y52-F56 HydrophobicContact CE2-CE2 4.46Å; Y52-F56 AromaticContact CZ-CE2 3.68Å; T53-F56 CarbonylContact O-C 3.42Å; T53-F56 PolarHBondContact O-N 3.43Å; F56-Y58 PolarHBondContact O-N 2.78Å; F56-Y58 VanDerWaalsContact O-N 3.1Å; F56-G59 PolarHBondContact O-N 2.94Å; F56-M131 HydrophobicContact CB-CG 4.39Å; F56-M131 HydrophobicContact CD1-CG 3.93Å; F56-M131 HydrophobicContact CD1-SD 4.1Å; F56-M131 HydrophobicContact CD2-SD 4.15Å; F56-M131 HydrophobicContact CE1-CE 4.24Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.02Å; F56-M131 HydrophobicContact CE2-SD 4.07Å; F56-M131 HydrophobicContact CG-CG 4.06Å; F56-M131 HydrophobicContact CG-SD 4.16Å; F56-M131 HydrophobicContact CZ-CE 4.36Å; F56-M131 HydrophobicContact CZ-SD 4.01Å; F56-I229 HydrophobicContact CE2-CD1 4.14Å; F56-I229 HydrophobicContact CZ-CD1 4Å | ||
| 57 | P | 67.5 | Low | 81.6 | Confident | 91 Ų | 91 | 53.3 Ų | 53.3 | 59% | 0.591 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15 | -172 | 27.5 | -35.6 | 0 | 0 | 0 | 114.3 | F55 | F55-P57 VanDerWaalsContact C-CD 3.44Å; F55-P57 WeakPolarHBondContact O-CD 3.36Å |
| 58 | Y | 69.2 | Low | 81.6 | Confident | 204 Ų | 204 | 51.9 Ų | 51.9 | 80% | 0.8 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -7.2 | -174.7 | -55.2 | -67.2 | 0 | 0 | 0 | 114.2 | F56 | F56-Y58 PolarHBondContact O-N 2.78Å; F56-Y58 VanDerWaalsContact O-N 3.1Å |
| 59 | G | 71.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -130.6 | 166.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F56 S61 M131 | F56-G59 PolarHBondContact O-N 2.94Å; G59-S61 PolarHBondContact O-N 3.25Å; G59-M131 WeakPolarHBondContact CA-O 3.11Å |
| 60 | E | 83.8 | Confident | 81.9 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | trans | -84.5 | 102.4 | 171.9 | -159 | -52.2 | 100.1 | 0 | 0 | 107.7 | S62 R63 A130 M131 | E60-S62 WeakPolarHBondContact OE1-CA 3.44Å; E60-S62 WeakPolarHBondContact OE1-CB 3.34Å; E60-S62 PolarHBondContact OE1-N 3.43Å; E60-S62 PolarHBondContact OE2-N 2.77Å; E60-R63 PolarHBondContact OE2-N 3.28Å; E60-A130 HydrophobicContact CB-CB 4.23Å; E60-A130 PolarHBondContact N-O 2.85Å; E60-A130 CarbonylContact O-C 3.49Å; E60-M131 VanDerWaalsContact O-CA 3.23Å; E60-M131 WeakPolarHBondContact O-CA 3.47Å; E60-M131 PolarHBondContact O-N 3.24Å | ||
| 61 | S | 84.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -102.3 | -1.4 | -178.1 | 67.8 | 0 | 0 | 0 | 0 | 114 | T53 G59 R63 F64 A65 | T53-S61 WeakPolarHBondContact CA-OG 3.44Å; T53-S61 PolarHBondContact OG1-OG 2.89Å; G59-S61 PolarHBondContact O-N 3.25Å; S61-R63 PolarHBondContact O-N 3.3Å; S61-F64 PolarHBondContact O-N 2.87Å; S61-A65 VanDerWaalsContact O-CB 3.27Å; S61-A65 WeakPolarHBondContact O-CB 3.4Å; S61-A65 PolarHBondContact O-N 2.97Å | ||
| 62 | S | 88.2 | Confident | 82.7 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -48.6 | -174.6 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | K49 E60 A65 E66 | K49-S62 WeakPolarHBondContact CD-OG 3.3Å; K49-S62 WeakPolarHBondContact CE-O 3.32Å; K49-S62 VanDerWaalsContact CE-OG 3.22Å; K49-S62 WeakPolarHBondContact CE-OG 3.27Å; K49-S62 PolarHBondContact NZ-OG 3.34Å; E60-S62 WeakPolarHBondContact OE1-CA 3.44Å; E60-S62 WeakPolarHBondContact OE1-CB 3.34Å; E60-S62 PolarHBondContact OE1-N 3.43Å; E60-S62 PolarHBondContact OE2-N 2.77Å; S62-A65 WeakPolarHBondContact O-CB 3.42Å; S62-A65 PolarHBondContact O-N 2.89Å; S62-E66 WeakPolarHBondContact O-CG 3.45Å; S62-E66 PolarHBondContact O-N 3.31Å |
| 63 | R | 89.5 | Confident | 83.2 | Confident | 93 Ų | 93 | 46.5 Ų | 46.5 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.3 | -41.1 | -177.9 | -167.7 | 175.4 | -173.4 | 161.6 | 5.6 | 112.1 | E60 S61 A65 E66 Y67 E123 A127 | E60-R63 PolarHBondContact OE2-N 3.28Å; S61-R63 PolarHBondContact O-N 3.3Å; R63-A65 VanDerWaalsContact C-N 3.3Å; R63-A65 PolarHBondContact O-N 3.07Å; R63-E66 WeakPolarHBondContact O-CB 3.46Å; R63-E66 PolarHBondContact O-N 2.79Å; R63-Y67 HydrophobicContact CG-CE2 4.27Å; R63-Y67 PolarHBondContact NE-OH 2.79Å; R63-E123 IonicContact CZ-OE1 2.79Å; R63-E123 IonicContact NH2-OE1 2.7Å; R63-E123 PolarHBondContact NH2-OE1 3.35Å; R63-A127 HydrophobicContact CB-CB 4.01Å; R63-A127 HydrophobicContact CG-CB 4Å |
| 64 | F | 88.2 | Confident | 83.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -35 | 177 | -166.9 | -101.9 | 0 | 0 | 0 | 111.8 | Y52 S61 E66 Y67 V68 M107 V124 A127 I128 M131 | Y52-F64 HydrophobicContact CE1-CD1 4.16Å; Y52-F64 WeakPolarHBondContact OH-CD1 3.33Å; Y52-F64 WeakPolarHBondContact OH-CE1 3.42Å; S61-F64 PolarHBondContact O-N 2.87Å; F64-E66 PolarHBondContact O-N 3.46Å; F64-Y67 HydrophobicContact CD2-CD2 4.17Å; F64-Y67 PolarHBondContact O-N 3.41Å; F64-Y67 VanDerWaalsContact O-N 3.15Å; F64-V68 HydrophobicContact CD1-CG2 4.02Å; F64-V68 HydrophobicContact CE1-CG2 3.8Å; F64-V68 PolarHBondContact O-N 3.1Å; F64-V68 VanDerWaalsContact O-N 3.09Å; F64-M107 HydrophobicContact CE1-SD 4.47Å; F64-M107 HydrophobicContact CE2-SD 3.61Å; F64-M107 HydrophobicContact CZ-CE 3.98Å; F64-M107 HydrophobicContact CZ-SD 3.5Å; F64-M107 VanDerWaalsContact CZ-SD 3.5Å; F64-V124 HydrophobicContact CE2-CG1 4.35Å; F64-A127 HydrophobicContact CB-CB 4.17Å; F64-A127 HydrophobicContact CD2-CB 4.42Å; F64-I128 HydrophobicContact CD2-CG1 3.71Å; F64-I128 HydrophobicContact CE2-CD1 3.95Å; F64-I128 HydrophobicContact CE2-CG1 3.56Å; F64-I128 HydrophobicContact CZ-CG1 4.42Å; F64-M131 HydrophobicContact CB-SD 3.95Å; F64-M131 HydrophobicContact CD1-CE 3.71Å; F64-M131 HydrophobicContact CD1-SD 3.53Å; F64-M131 VanDerWaalsContact CD1-SD 3.53Å; F64-M131 HydrophobicContact CE1-CE 3.93Å; F64-M131 HydrophobicContact CE1-SD 4.28Å; F64-M131 HydrophobicContact CG-CE 4.06Å; F64-M131 HydrophobicContact CG-SD 3.9Å; F64-M131 HydrophobicContact CZ-CE 4.48Å |
| 65 | A | 89.4 | Confident | 84.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -31.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F48 K49 Y52 S61 S62 R63 V68 F69 | F48-A65 HydrophobicContact CD1-CB 4.27Å; F48-A65 HydrophobicContact CE1-CB 4.24Å; F48-A65 WeakPolarHBondContact CE1-O 3.47Å; K49-A65 HydrophobicContact CG-CB 3.92Å; Y52-A65 HydrophobicContact CD1-CB 3.5Å; Y52-A65 HydrophobicContact CE1-CB 4.15Å; Y52-A65 HydrophobicContact CG-CB 3.83Å; S61-A65 VanDerWaalsContact O-CB 3.27Å; S61-A65 WeakPolarHBondContact O-CB 3.4Å; S61-A65 PolarHBondContact O-N 2.97Å; S62-A65 WeakPolarHBondContact O-CB 3.42Å; S62-A65 PolarHBondContact O-N 2.89Å; R63-A65 VanDerWaalsContact C-N 3.3Å; R63-A65 PolarHBondContact O-N 3.07Å; A65-V68 PolarHBondContact O-N 3.39Å; A65-F69 VanDerWaalsContact O-CB 3.27Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 2.97Å |
| 66 | E | 92 | Very high | 85.5 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 174.4 | -63.5 | 170.9 | -163.2 | 0 | 0 | 111.7 | I45 K49 S62 R63 F64 F69 R70 | I45-E66 HydrophobicContact CD1-CB 4.24Å; I45-E66 HydrophobicContact CD1-CG 3.91Å; I45-E66 HydrophobicContact CG1-CG 4.46Å; K49-E66 WeakPolarHBondContact CE-OE1 3.5Å; K49-E66 IonicContact NZ-OE1 3.79Å; K49-E66 PolarHBondContact NZ-OE1 2.82Å; S62-E66 WeakPolarHBondContact O-CG 3.45Å; S62-E66 PolarHBondContact O-N 3.31Å; R63-E66 WeakPolarHBondContact O-CB 3.46Å; R63-E66 PolarHBondContact O-N 2.79Å; F64-E66 PolarHBondContact O-N 3.46Å; E66-F69 WeakPolarHBondContact O-CB 3.22Å; E66-F69 PolarHBondContact O-N 3.41Å; E66-R70 PolarHBondContact O-N 2.93Å |
| 67 | Y | 89.9 | Confident | 86.7 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 176.6 | -53.8 | -41.8 | 0 | 0 | 0 | 111.8 | R63 F64 R70 T71 L110 E123 V124 A127 | R63-Y67 HydrophobicContact CG-CE2 4.27Å; R63-Y67 PolarHBondContact NE-OH 2.79Å; F64-Y67 HydrophobicContact CD2-CD2 4.17Å; F64-Y67 PolarHBondContact O-N 3.41Å; F64-Y67 VanDerWaalsContact O-N 3.15Å; Y67-R70 PolarHBondContact O-N 2.63Å; Y67-T71 PolarHBondContact O-N 3.34Å; Y67-T71 PolarHBondContact O-OG1 3.44Å; Y67-L110 HydrophobicContact CD1-CD2 3.82Å; Y67-L110 HydrophobicContact CE1-CD1 4.41Å; Y67-L110 HydrophobicContact CE1-CD2 3.72Å; Y67-E123 WeakPolarHBondContact OH-CG 3.26Å; Y67-V124 HydrophobicContact CD2-CG2 4.24Å; Y67-V124 HydrophobicContact CE2-CB 4.48Å; Y67-V124 HydrophobicContact CE2-CG2 4.05Å; Y67-A127 HydrophobicContact CD2-CB 4.39Å; Y67-A127 HydrophobicContact CE2-CB 3.73Å |
| 68 | V | 89.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 174 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | F48 Y52 F64 A65 R70 T71 F72 W103 M107 | F48-V68 HydrophobicContact CE1-CB 4.1Å; F48-V68 HydrophobicContact CE1-CG1 4.14Å; F48-V68 HydrophobicContact CZ-CB 4.15Å; F48-V68 HydrophobicContact CZ-CG1 3.67Å; Y52-V68 HydrophobicContact CE2-CB 4.41Å; Y52-V68 HydrophobicContact CE2-CG1 4.27Å; Y52-V68 HydrophobicContact CE2-CG2 4.2Å; F64-V68 HydrophobicContact CD1-CG2 4.02Å; F64-V68 HydrophobicContact CE1-CG2 3.8Å; F64-V68 PolarHBondContact O-N 3.1Å; F64-V68 VanDerWaalsContact O-N 3.09Å; A65-V68 PolarHBondContact O-N 3.39Å; V68-R70 PolarHBondContact O-N 3.23Å; V68-T71 PolarHBondContact O-N 2.93Å; V68-T71 PolarHBondContact O-OG1 3.25Å; V68-F72 HydrophobicContact CG1-CD1 3.99Å; V68-F72 HydrophobicContact CG1-CE1 3.84Å; V68-F72 HydrophobicContact CG1-CZ 4.46Å; V68-F72 WeakPolarHBondContact O-CD1 2.9Å; V68-F72 PolarHBondContact O-N 3.09Å; V68-F72 VanDerWaalsContact O-N 3.1Å; V68-W103 HydrophobicContact CG1-CZ2 4.31Å; V68-M107 HydrophobicContact CG2-CE 4.4Å |
| 69 | F | 91.2 | Very high | 89.1 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 176.6 | -177.6 | -85.5 | 0 | 0 | 0 | 111.5 | I45 F48 A65 E66 T71 F72 D73 G78 I80 | I45-F69 HydrophobicContact CB-CD1 4.37Å; I45-F69 HydrophobicContact CB-CD2 4.26Å; I45-F69 HydrophobicContact CB-CE1 4.34Å; I45-F69 HydrophobicContact CB-CE2 4.2Å; I45-F69 HydrophobicContact CB-CG 4.35Å; I45-F69 HydrophobicContact CB-CZ 4.25Å; I45-F69 HydrophobicContact CD1-CB 4.36Å; I45-F69 HydrophobicContact CD1-CD1 3.93Å; I45-F69 HydrophobicContact CD1-CG 4.11Å; I45-F69 HydrophobicContact CG1-CB 4.34Å; I45-F69 HydrophobicContact CG1-CD1 4.19Å; I45-F69 HydrophobicContact CG1-CD2 4.22Å; I45-F69 HydrophobicContact CG1-CG 3.97Å; F48-F69 HydrophobicContact CB-CD2 3.52Å; F48-F69 HydrophobicContact CB-CE2 4.05Å; F48-F69 HydrophobicContact CD1-CB 3.95Å; F48-F69 HydrophobicContact CD1-CD2 4.1Å; F48-F69 HydrophobicContact CD2-CD2 4.15Å; F48-F69 HydrophobicContact CE1-CB 4.25Å; F48-F69 HydrophobicContact CG-CB 4.36Å; F48-F69 AromaticContact CG-CD2 3.67Å; F48-F69 HydrophobicContact CG-CD2 3.67Å; A65-F69 VanDerWaalsContact O-CB 3.27Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 2.97Å; E66-F69 WeakPolarHBondContact O-CB 3.22Å; E66-F69 PolarHBondContact O-N 3.41Å; F69-T71 PolarHBondContact O-N 3.32Å; F69-F72 WeakPolarHBondContact O-CA 3.34Å; F69-F72 PolarHBondContact O-N 3.09Å; F69-D73 HydrophobicContact CD1-CB 4.4Å; F69-D73 HydrophobicContact CE1-CB 4.02Å; F69-D73 PolarHBondContact O-N 3.46Å; F69-G78 WeakPolarHBondContact CZ-O 3.39Å; F69-I80 HydrophobicContact CD2-CD1 3.27Å; F69-I80 HydrophobicContact CD2-CG1 3.96Å; F69-I80 HydrophobicContact CE2-CB 4.43Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.23Å; F69-I80 HydrophobicContact CZ-CG1 3.99Å |
| 70 | R | 92 | Very high | 90.1 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 21% | 0.211 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -35.4 | 179.9 | -172.4 | -177.5 | 72 | -151 | -3.5 | 113.1 | E66 Y67 V68 F72 T106 M107 D109 L110 | E66-R70 PolarHBondContact O-N 2.93Å; Y67-R70 PolarHBondContact O-N 2.63Å; V68-R70 PolarHBondContact O-N 3.23Å; R70-F72 VanDerWaalsContact C-N 3.34Å; R70-T106 PolarHBondContact NH2-O 3.2Å; R70-M107 PolarHBondContact NH2-O 2.97Å; R70-D109 PolarHBondContact NH2-O 3.1Å; R70-L110 PolarHBondContact NH1-O 3.32Å |
| 71 | T | 89 | Confident | 90.6 | Very high | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -82 | -15.1 | 178 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | Y67 V68 F69 W103 M107 | Y67-T71 PolarHBondContact O-N 3.34Å; Y67-T71 PolarHBondContact O-OG1 3.44Å; V68-T71 PolarHBondContact O-N 2.93Å; V68-T71 PolarHBondContact O-OG1 3.25Å; F69-T71 PolarHBondContact O-N 3.32Å; T71-W103 VanDerWaalsContact OG1-CZ2 3.29Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.48Å; T71-W103 PolarHBondContact OG1-NE1 2.81Å; T71-M107 HydrophobicContact CG2-CB 3.85Å |
| 72 | F | 91.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -88.3 | -39.4 | 174.1 | -87.2 | 44.7 | 0 | 0 | 0 | 111.8 | F48 V68 F69 R70 Q74 I80 D84 S88 T92 W103 | F48-F72 HydrophobicContact CE2-CD2 4.24Å; V68-F72 HydrophobicContact CG1-CD1 3.99Å; V68-F72 HydrophobicContact CG1-CE1 3.84Å; V68-F72 HydrophobicContact CG1-CZ 4.46Å; V68-F72 WeakPolarHBondContact O-CD1 2.9Å; V68-F72 PolarHBondContact O-N 3.09Å; V68-F72 VanDerWaalsContact O-N 3.1Å; F69-F72 WeakPolarHBondContact O-CA 3.34Å; F69-F72 PolarHBondContact O-N 3.09Å; R70-F72 VanDerWaalsContact C-N 3.34Å; F72-Q74 WeakPolarHBondContact O-CG 3.2Å; F72-Q74 PolarHBondContact O-N 3.15Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.89Å; F72-I80 HydrophobicContact CD2-CD1 4.33Å; F72-I80 HydrophobicContact CG-CD1 4.29Å; F72-D84 VanDerWaalsContact O-CB 3.27Å; F72-D84 WeakPolarHBondContact O-CB 3.48Å; F72-S88 WeakPolarHBondContact CA-OG 3.23Å; F72-T92 HydrophobicContact CE1-CG2 4.16Å; F72-T92 HydrophobicContact CZ-CG2 4.37Å; F72-W103 HydrophobicContact CD1-CZ2 4.29Å; F72-W103 AromaticContact CE1-CZ2 3.84Å; F72-W103 HydrophobicContact CE1-CZ2 3.84Å |
| 73 | D | 92.7 | Very high | 91.1 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | trans | -71.4 | 85.3 | 174.2 | 176.3 | 4.8 | 0 | 0 | 0 | 110.1 | F69 N75 H76 D77 G78 I80 | F69-D73 HydrophobicContact CD1-CB 4.4Å; F69-D73 HydrophobicContact CE1-CB 4.02Å; F69-D73 PolarHBondContact O-N 3.46Å; D73-N75 PolarHBondContact OD1-OD1 2.85Å; D73-H76 PolarHBondContact O-CE1 2.95Å; D73-H76 PolarHBondContact O-ND1 2.94Å; D73-H76 WeakPolarHBondContact OD1-CA 3.48Å; D73-H76 PolarHBondContact OD1-N 3.35Å; D73-D77 PolarHBondContact OD1-N 2.7Å; D73-G78 VanDerWaalsContact OD2-CA 3.26Å; D73-G78 WeakPolarHBondContact OD2-CA 3.49Å; D73-G78 PolarHBondContact OD2-N 3.32Å; D73-I80 HydrophobicContact CB-CG1 4.16Å | ||
| 74 | Q | 86.8 | Confident | 91.2 | Very high | 83 Ų | 83 | 41 Ų | 41 | 39% | 0.388 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -76.7 | -25.1 | -171.9 | -56.3 | -167.8 | -16.6 | 0 | 0 | 113 | F72 D84 | F72-Q74 WeakPolarHBondContact O-CG 3.2Å; F72-Q74 PolarHBondContact O-N 3.15Å; Q74-D84 WeakPolarHBondContact CB-OD1 3.4Å; Q74-D84 PolarHBondContact N-OD1 2.75Å |
| 75 | N | 89.8 | Confident | 91.3 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -93.7 | -7.3 | 179.2 | 72.9 | 1.8 | 0 | 0 | 0 | 112.5 | D73 D77 | D73-N75 PolarHBondContact OD1-OD1 2.85Å; N75-D77 VanDerWaalsContact C-N 3.3Å; N75-D77 PolarHBondContact ND2-OD2 3Å; N75-D77 PolarHBondContact O-N 3.43Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 PolarHBondContact OD1-N 3.5Å; N75-D77 VanDerWaalsContact OD1-N 3.07Å; N75-D77 PolarHBondContact OD1-OD1 3.31Å; N75-D77 PolarHBondContact OD1-OD2 3.42Å |
| 76 | H | 90.3 | Very high | 91.4 | Very high | 128 Ų | 128 | 40.9 Ų | 40.9 | 59% | 0.593 | 21% | 0.205 | S | C | * | . | trans | 59.2 | 35.4 | 178.6 | -53.8 | -46.8 | 0 | 0 | 0 | 113.6 | D73 G78 | D73-H76 PolarHBondContact O-CE1 2.95Å; D73-H76 PolarHBondContact O-ND1 2.94Å; D73-H76 WeakPolarHBondContact OD1-CA 3.48Å; D73-H76 PolarHBondContact OD1-N 3.35Å; H76-G78 VanDerWaalsContact C-N 3.32Å | ||
| 77 | D | 94 | Very high | 91.3 | Very high | 91 Ų | 91 | 38 Ų | 38 | 49% | 0.487 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -88 | -1.5 | 177.5 | 75.9 | 14.7 | 0 | 0 | 0 | 113.4 | D73 N75 L79 | D73-D77 PolarHBondContact OD1-N 2.7Å; N75-D77 VanDerWaalsContact C-N 3.3Å; N75-D77 PolarHBondContact ND2-OD2 3Å; N75-D77 PolarHBondContact O-N 3.43Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 PolarHBondContact OD1-N 3.5Å; N75-D77 VanDerWaalsContact OD1-N 3.07Å; N75-D77 PolarHBondContact OD1-OD1 3.31Å; N75-D77 PolarHBondContact OD1-OD2 3.42Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 WeakPolarHBondContact OD1-CA 3.32Å; D77-L79 VanDerWaalsContact OD1-CB 3.26Å; D77-L79 WeakPolarHBondContact OD1-CB 3.36Å; D77-L79 PolarHBondContact OD1-N 2.98Å |
| 78 | G | 93.8 | Very high | 91.3 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 84.1 | 8.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F69 D73 H76 | F69-G78 WeakPolarHBondContact CZ-O 3.39Å; D73-G78 VanDerWaalsContact OD2-CA 3.26Å; D73-G78 WeakPolarHBondContact OD2-CA 3.49Å; D73-G78 PolarHBondContact OD2-N 3.32Å; H76-G78 VanDerWaalsContact C-N 3.32Å |
| 79 | L | 94.8 | Very high | 91.2 | Very high | 56 Ų | 56 | 37.1 Ų | 37.1 | 29% | 0.293 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.2 | 176.4 | -57.5 | 173.4 | 0 | 0 | 0 | 109.8 | Y42 L43 D77 | Y42-L79 HydrophobicContact CD2-CD1 4.17Å; Y42-L79 HydrophobicContact CD2-CD2 3.92Å; Y42-L79 HydrophobicContact CG-CD1 4.17Å; L43-L79 WeakPolarHBondContact O-CA 3.46Å; D77-L79 VanDerWaalsContact C-N 3.34Å; D77-L79 WeakPolarHBondContact OD1-CA 3.32Å; D77-L79 VanDerWaalsContact OD1-CB 3.26Å; D77-L79 WeakPolarHBondContact OD1-CB 3.36Å; D77-L79 PolarHBondContact OD1-N 2.98Å |
| 80 | I | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.8 | 167 | -65.6 | 164.8 | 0 | 0 | 0 | 107 | Y42 L43 F48 F69 F72 D73 D84 F85 | Y42-I80 WeakPolarHBondContact CA-O 3.38Å; L43-I80 HydrophobicContact CB-CB 4.1Å; L43-I80 PolarHBondContact N-O 2.74Å; L43-I80 PolarHBondContact O-N 3.03Å; F48-I80 HydrophobicContact CD2-CD1 3.64Å; F48-I80 HydrophobicContact CE2-CD1 3.95Å; F48-I80 HydrophobicContact CG-CD1 4.32Å; F69-I80 HydrophobicContact CD2-CD1 3.27Å; F69-I80 HydrophobicContact CD2-CG1 3.96Å; F69-I80 HydrophobicContact CE2-CB 4.43Å; F69-I80 HydrophobicContact CE2-CD1 3.44Å; F69-I80 VanDerWaalsContact CE2-CD1 3.44Å; F69-I80 HydrophobicContact CE2-CG1 3.63Å; F69-I80 HydrophobicContact CG-CD1 3.97Å; F69-I80 HydrophobicContact CZ-CD1 4.23Å; F69-I80 HydrophobicContact CZ-CG1 3.99Å; F72-I80 HydrophobicContact CB-CD1 3.43Å; F72-I80 VanDerWaalsContact CB-CD1 3.43Å; F72-I80 HydrophobicContact CB-CG1 3.89Å; F72-I80 HydrophobicContact CD2-CD1 4.33Å; F72-I80 HydrophobicContact CG-CD1 4.29Å; D73-I80 HydrophobicContact CB-CG1 4.16Å; I80-D84 HydrophobicContact CB-CB 4.49Å; I80-D84 HydrophobicContact CG2-CB 3.85Å; I80-F85 HydrophobicContact CG2-CB 3.92Å |
| 81 | D | 92.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 37.2 Ų | 37.2 | 31% | 0.31 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -177.3 | 170.8 | 81.9 | 11.3 | 0 | 0 | 0 | 111.7 | R83 D84 F85 | D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 2.88Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.47Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.15Å; D81-R83 PolarHBondContact OD1-N 3.18Å; D81-D84 PolarHBondContact N-OD2 3.09Å; D81-D84 PolarHBondContact OD1-N 3.21Å; D81-F85 VanDerWaalsContact O-CB 3.24Å; D81-F85 WeakPolarHBondContact O-CB 3.48Å; D81-F85 PolarHBondContact O-N 3.12Å |
| 82 | F | 91.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 179.6 | -177.9 | -112.9 | 0 | 0 | 0 | 113.5 | L8 L16 I27 W30 Y31 F34 F85 L86 | L8-F82 HydrophobicContact CD1-CD1 4.3Å; L8-F82 HydrophobicContact CD2-CD1 4.01Å; L8-F82 HydrophobicContact CD2-CE1 3.93Å; L16-F82 HydrophobicContact CD1-CD1 3.94Å; L16-F82 HydrophobicContact CD1-CE1 3.7Å; I27-F82 HydrophobicContact CG2-CE1 4.01Å; I27-F82 HydrophobicContact CG2-CZ 4.39Å; I27-F82 WeakPolarHBondContact O-CZ 3.34Å; W30-F82 VanDerWaalsContact C-CE2 3.48Å; W30-F82 HydrophobicContact CB-CE2 3.88Å; W30-F82 HydrophobicContact CB-CZ 3.86Å; Y31-F82 VanDerWaalsContact CA-CZ 3.49Å; Y31-F82 HydrophobicContact CD2-CB 4.1Å; Y31-F82 AromaticContact CD2-CD1 3.56Å; Y31-F82 HydrophobicContact CD2-CD1 3.56Å; Y31-F82 AromaticContact CD2-CD2 3.86Å; Y31-F82 HydrophobicContact CD2-CD2 3.86Å; Y31-F82 AromaticContact CD2-CE1 3.9Å; Y31-F82 HydrophobicContact CD2-CE1 3.9Å; Y31-F82 HydrophobicContact CD2-CE2 4.2Å; Y31-F82 AromaticContact CD2-CG 3.53Å; Y31-F82 HydrophobicContact CD2-CG 3.53Å; Y31-F82 HydrophobicContact CD2-CZ 4.21Å; Y31-F82 HydrophobicContact CE2-CB 4.27Å; Y31-F82 HydrophobicContact CE2-CD1 4.28Å; Y31-F82 HydrophobicContact CE2-CG 4.18Å; Y31-F82 HydrophobicContact CG-CD1 4.36Å; Y31-F82 HydrophobicContact CG-CE1 4.26Å; Y31-F82 HydrophobicContact CG-CZ 4.39Å; Y31-F82 VanDerWaalsContact N-CE2 3.3Å; Y31-F82 VanDerWaalsContact N-CZ 3.31Å; F34-F82 HydrophobicContact CB-CD2 3.74Å; F34-F82 HydrophobicContact CB-CE2 4.09Å; F34-F82 HydrophobicContact CD1-CB 4.19Å; F34-F82 HydrophobicContact CD1-CD2 4.08Å; F34-F82 HydrophobicContact CD2-CD2 4.28Å; F34-F82 HydrophobicContact CE1-CB 4.25Å; F34-F82 AromaticContact CG-CD2 3.78Å; F34-F82 HydrophobicContact CG-CD2 3.78Å; F82-F85 HydrophobicContact CD2-CD1 4.15Å; F82-F85 HydrophobicContact CE2-CD1 4.15Å; F82-L86 HydrophobicContact CE1-CD2 4.1Å; F82-L86 HydrophobicContact CZ-CB 4.42Å; F82-L86 HydrophobicContact CZ-CD1 4.47Å; F82-L86 HydrophobicContact CZ-CD2 3.98Å; F82-L86 WeakPolarHBondContact O-CB 3.19Å; F82-L86 PolarHBondContact O-N 2.65Å |
| 83 | R | 92.3 | Very high | 90 | Very high | 106 Ų | 106 | 38 Ų | 38 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.8 | -47 | 178.8 | 173.9 | -173 | 174.6 | -156.4 | -4.4 | 110.3 | E15 L16 D81 F85 L86 S87 | E15-R83 IonicContact OE1-CZ 3.95Å; E15-R83 IonicContact OE1-NE 3.94Å; E15-R83 PolarHBondContact OE1-NE 3.27Å; E15-R83 IonicContact OE1-NH1 2.89Å; E15-R83 IonicContact OE1-NH2 3.95Å; E15-R83 PolarHBondContact OE1-NH2 3.16Å; L16-R83 HydrophobicContact CD2-CB 4.28Å; L16-R83 HydrophobicContact CD2-CG 3.99Å; D81-R83 VanDerWaalsContact C-N 3.31Å; D81-R83 PolarHBondContact O-N 2.88Å; D81-R83 VanDerWaalsContact OD1-CA 3.31Å; D81-R83 WeakPolarHBondContact OD1-CA 3.47Å; D81-R83 VanDerWaalsContact OD1-CB 3.27Å; D81-R83 WeakPolarHBondContact OD1-CB 3.15Å; D81-R83 PolarHBondContact OD1-N 3.18Å; R83-F85 VanDerWaalsContact C-N 3.32Å; R83-F85 PolarHBondContact O-N 3.08Å; R83-L86 PolarHBondContact O-N 3.43Å; R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.43Å; R83-S87 PolarHBondContact O-N 2.89Å; R83-S87 PolarHBondContact O-OG 3.19Å |
| 84 | D | 92.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -49.9 | 174.7 | -72.7 | -37.6 | 0 | 0 | 0 | 111 | F72 Q74 I80 D81 L86 S87 S88 | F72-D84 VanDerWaalsContact O-CB 3.27Å; F72-D84 WeakPolarHBondContact O-CB 3.48Å; Q74-D84 WeakPolarHBondContact CB-OD1 3.4Å; Q74-D84 PolarHBondContact N-OD1 2.75Å; I80-D84 HydrophobicContact CB-CB 4.49Å; I80-D84 HydrophobicContact CG2-CB 3.85Å; D81-D84 PolarHBondContact N-OD2 3.09Å; D81-D84 PolarHBondContact OD1-N 3.21Å; D84-L86 PolarHBondContact O-N 2.95Å; D84-S87 PolarHBondContact O-N 2.88Å; D84-S88 VanDerWaalsContact O-CB 3.25Å; D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 3.2Å; D84-S88 PolarHBondContact O-OG 2.94Å |
| 85 | F | 90.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.8 | -50.5 | 177.3 | 174.8 | -102.5 | 0 | 0 | 0 | 112.1 | W30 F34 I80 D81 F82 R83 L89 V230 F234 | W30-F85 AromaticContact CE3-CE1 3.75Å; W30-F85 HydrophobicContact CE3-CE1 3.75Å; W30-F85 HydrophobicContact CE3-CZ 4.05Å; W30-F85 HydrophobicContact CZ3-CE1 4.09Å; W30-F85 AromaticContact CZ3-CZ 3.92Å; W30-F85 HydrophobicContact CZ3-CZ 3.92Å; F34-F85 HydrophobicContact CD2-CB 4.17Å; F34-F85 AromaticContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD1 3.79Å; F34-F85 HydrophobicContact CD2-CD2 4.12Å; F34-F85 HydrophobicContact CD2-CE1 4.13Å; F34-F85 HydrophobicContact CD2-CE2 4.42Å; F34-F85 AromaticContact CD2-CG 3.76Å; F34-F85 HydrophobicContact CD2-CG 3.76Å; F34-F85 HydrophobicContact CD2-CZ 4.41Å; F34-F85 HydrophobicContact CE2-CB 3.87Å; F34-F85 HydrophobicContact CE2-CD1 4.36Å; F34-F85 HydrophobicContact CE2-CD2 4.16Å; F34-F85 AromaticContact CE2-CG 3.89Å; F34-F85 HydrophobicContact CE2-CG 3.89Å; I80-F85 HydrophobicContact CG2-CB 3.92Å; D81-F85 VanDerWaalsContact O-CB 3.24Å; D81-F85 WeakPolarHBondContact O-CB 3.48Å; D81-F85 PolarHBondContact O-N 3.12Å; F82-F85 HydrophobicContact CD2-CD1 4.15Å; F82-F85 HydrophobicContact CE2-CD1 4.15Å; R83-F85 VanDerWaalsContact C-N 3.32Å; R83-F85 PolarHBondContact O-N 3.08Å; F85-L89 HydrophobicContact CD1-CD1 3.87Å; F85-L89 HydrophobicContact CE1-CD1 3.34Å; F85-L89 HydrophobicContact CE1-CG 4.36Å; F85-L89 HydrophobicContact CE2-CD1 4.18Å; F85-L89 HydrophobicContact CG-CD1 4.49Å; F85-L89 HydrophobicContact CZ-CD1 3.53Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CB 3.18Å; F85-L89 VanDerWaalsContact O-CG 3.3Å; F85-L89 WeakPolarHBondContact O-CG 3.42Å; F85-L89 PolarHBondContact O-N 3.14Å; F85-V230 HydrophobicContact CD2-CG1 4.41Å; F85-V230 HydrophobicContact CE1-CG1 4.31Å; F85-V230 HydrophobicContact CE2-CG1 3.23Å; F85-V230 HydrophobicContact CZ-CG1 3.17Å; F85-F234 AromaticContact CE2-CD2 3.88Å; F85-F234 HydrophobicContact CE2-CD2 3.88Å; F85-F234 AromaticContact CE2-CE2 3.41Å; F85-F234 HydrophobicContact CE2-CE2 3.41Å; F85-F234 VanDerWaalsContact CE2-CE2 3.41Å; F85-F234 AromaticContact CE2-CZ 3.92Å; F85-F234 HydrophobicContact CE2-CZ 3.92Å; F85-F234 HydrophobicContact CZ-CD1 4.45Å; F85-F234 AromaticContact CZ-CD2 3.43Å; F85-F234 HydrophobicContact CZ-CD2 3.43Å; F85-F234 VanDerWaalsContact CZ-CD2 3.43Å; F85-F234 HydrophobicContact CZ-CE1 4.45Å; F85-F234 AromaticContact CZ-CE2 3.44Å; F85-F234 HydrophobicContact CZ-CE2 3.44Å; F85-F234 VanDerWaalsContact CZ-CE2 3.44Å; F85-F234 AromaticContact CZ-CG 3.95Å; F85-F234 HydrophobicContact CZ-CG 3.95Å; F85-F234 AromaticContact CZ-CZ 3.96Å; F85-F234 HydrophobicContact CZ-CZ 3.96Å |
| 86 | L | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.9 | -35.3 | -174.9 | -163.7 | 66 | 0 | 0 | 0 | 112.8 | L16 T20 F22 I27 W30 F82 R83 D84 L89 N90 | L16-L86 HydrophobicContact CB-CD2 4.33Å; L16-L86 HydrophobicContact CD1-CD2 3.92Å; L16-L86 HydrophobicContact CD2-CB 4.43Å; L16-L86 HydrophobicContact CD2-CD2 4.19Å; L16-L86 HydrophobicContact CG-CD2 4.39Å; T20-L86 HydrophobicContact CG2-CG 4.45Å; F22-L86 HydrophobicContact CD2-CD1 3.65Å; F22-L86 HydrophobicContact CD2-CD2 4.2Å; F22-L86 HydrophobicContact CD2-CG 3.75Å; F22-L86 HydrophobicContact CE2-CD1 3.6Å; F22-L86 HydrophobicContact CE2-CG 3.94Å; F22-L86 HydrophobicContact CG-CD1 4.28Å; F22-L86 HydrophobicContact CZ-CD1 4.2Å; I27-L86 HydrophobicContact CB-CD2 4.31Å; I27-L86 HydrophobicContact CG1-CD2 3.85Å; I27-L86 HydrophobicContact CG2-CD2 4.06Å; W30-L86 HydrophobicContact CB-CD1 3.99Å; W30-L86 HydrophobicContact CG-CD1 3.86Å; F82-L86 HydrophobicContact CE1-CD2 4.1Å; F82-L86 HydrophobicContact CZ-CB 4.42Å; F82-L86 HydrophobicContact CZ-CD1 4.47Å; F82-L86 HydrophobicContact CZ-CD2 3.98Å; F82-L86 WeakPolarHBondContact O-CB 3.19Å; F82-L86 PolarHBondContact O-N 2.65Å; R83-L86 PolarHBondContact O-N 3.43Å; D84-L86 PolarHBondContact O-N 2.95Å; L86-L89 HydrophobicContact CD1-CD1 4.2Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.43Å; L86-N90 PolarHBondContact O-N 3.31Å |
| 87 | S | 89.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 36.1 Ų | 36.1 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | R83 D84 N90 I91 | R83-S87 VanDerWaalsContact O-CB 3.24Å; R83-S87 WeakPolarHBondContact O-CB 3.43Å; R83-S87 PolarHBondContact O-N 2.89Å; R83-S87 PolarHBondContact O-OG 3.19Å; D84-S87 PolarHBondContact O-N 2.88Å; S87-N90 WeakPolarHBondContact O-CB 3.26Å; S87-N90 PolarHBondContact O-N 3.43Å; S87-I91 PolarHBondContact O-N 3.18Å |
| 88 | S | 89 | Confident | 88.5 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.3 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | F72 D84 N90 I91 T92 | F72-S88 WeakPolarHBondContact CA-OG 3.23Å; D84-S88 VanDerWaalsContact O-CB 3.25Å; D84-S88 WeakPolarHBondContact O-CB 3.37Å; D84-S88 PolarHBondContact O-N 3.2Å; D84-S88 PolarHBondContact O-OG 2.94Å; S88-N90 VanDerWaalsContact C-N 3.29Å; S88-N90 PolarHBondContact O-N 3.39Å; S88-I91 PolarHBondContact O-N 3.28Å; S88-I91 VanDerWaalsContact O-N 3.14Å; S88-T92 WeakPolarHBondContact O-CG2 3.24Å; S88-T92 PolarHBondContact O-N 2.89Å; S88-T92 PolarHBondContact O-OG1 3.38Å |
| 89 | L | 87.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.1 | -39.2 | 173.4 | -82.5 | -179.7 | 0 | 0 | 0 | 113.5 | F22 W30 F85 L86 I91 N93 V230 | F22-L89 HydrophobicContact CE2-CB 4.22Å; F22-L89 HydrophobicContact CZ-CB 4.14Å; W30-L89 HydrophobicContact CD2-CD1 4.06Å; W30-L89 HydrophobicContact CE3-CD1 3.85Å; W30-L89 HydrophobicContact CH2-CD1 3.78Å; W30-L89 HydrophobicContact CZ2-CD1 4.06Å; W30-L89 HydrophobicContact CZ3-CD1 3.63Å; F85-L89 HydrophobicContact CD1-CD1 3.87Å; F85-L89 HydrophobicContact CE1-CD1 3.34Å; F85-L89 HydrophobicContact CE1-CG 4.36Å; F85-L89 HydrophobicContact CE2-CD1 4.18Å; F85-L89 HydrophobicContact CG-CD1 4.49Å; F85-L89 HydrophobicContact CZ-CD1 3.53Å; F85-L89 HydrophobicContact CZ-CG 4.31Å; F85-L89 WeakPolarHBondContact O-CB 3.18Å; F85-L89 VanDerWaalsContact O-CG 3.3Å; F85-L89 WeakPolarHBondContact O-CG 3.42Å; F85-L89 PolarHBondContact O-N 3.14Å; L86-L89 HydrophobicContact CD1-CD1 4.2Å; L86-L89 WeakPolarHBondContact O-CB 3.35Å; L86-L89 PolarHBondContact O-N 3.43Å; L89-I91 PolarHBondContact O-N 2.92Å; L89-N93 WeakPolarHBondContact CD2-ND2 3.39Å; L89-N93 WeakPolarHBondContact O-CA 3.5Å; L89-N93 WeakPolarHBondContact O-CB 3.4Å; L89-N93 VanDerWaalsContact O-CG 3.28Å; L89-N93 PolarHBondContact O-N 3.34Å; L89-V230 HydrophobicContact CD1-CG1 3.74Å; L89-V230 HydrophobicContact CD2-CB 3.26Å; L89-V230 HydrophobicContact CD2-CG1 3.27Å; L89-V230 HydrophobicContact CD2-CG2 3.72Å; L89-V230 HydrophobicContact CG-CB 4.33Å; L89-V230 HydrophobicContact CG-CG1 3.85Å |
| 90 | N | 89.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -59.1 | -42.4 | 178.4 | -174.7 | 60.7 | 0 | 0 | 0 | 110.2 | T20 S21 F22 L86 S87 S88 R94 G95 | T20-N90 HydrophobicContact CG2-CB 4.01Å; S21-N90 PolarHBondContact N-OD1 3.07Å; S21-N90 PolarHBondContact OG-OD1 3.38Å; F22-N90 HydrophobicContact CD2-CB 4.47Å; F22-N90 HydrophobicContact CE2-CB 3.9Å; L86-N90 PolarHBondContact O-N 3.31Å; S87-N90 WeakPolarHBondContact O-CB 3.26Å; S87-N90 PolarHBondContact O-N 3.43Å; S88-N90 VanDerWaalsContact C-N 3.29Å; S88-N90 PolarHBondContact O-N 3.39Å; N90-R94 CarbonylContact O-C 3.35Å; N90-R94 WeakPolarHBondContact O-CA 3.39Å; N90-R94 WeakPolarHBondContact O-CB 3.42Å; N90-R94 PolarHBondContact O-N 3.47Å; N90-G95 PolarHBondContact O-N 2.84Å |
| 91 | I | 85.8 | Confident | 87.6 | Confident | 43 Ų | 43 | 37.1 Ų | 37.1 | 22% | 0.221 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -72.1 | -54 | 178.2 | -59.5 | 168.4 | 0 | 0 | 0 | 111.1 | S87 S88 L89 N93 G95 Q99 W103 | S87-I91 PolarHBondContact O-N 3.18Å; S88-I91 PolarHBondContact O-N 3.28Å; S88-I91 VanDerWaalsContact O-N 3.14Å; L89-I91 PolarHBondContact O-N 2.92Å; I91-N93 VanDerWaalsContact C-N 3.27Å; I91-N93 PolarHBondContact O-N 2.96Å; I91-G95 WeakPolarHBondContact O-CA 3.3Å; I91-G95 PolarHBondContact O-N 3.02Å; I91-Q99 HydrophobicContact CG2-CB 4.35Å; I91-W103 HydrophobicContact CG2-CB 3.77Å; I91-W103 HydrophobicContact CG2-CG 4.17Å |
| 92 | T | 82.8 | Confident | 87.6 | Confident | 16 Ų | 16 | 40.4 Ų | 40.4 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -67.7 | -29.2 | -173.7 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | F72 S88 K100 W103 | F72-T92 HydrophobicContact CE1-CG2 4.16Å; F72-T92 HydrophobicContact CZ-CG2 4.37Å; S88-T92 WeakPolarHBondContact O-CG2 3.24Å; S88-T92 PolarHBondContact O-N 2.89Å; S88-T92 PolarHBondContact O-OG1 3.38Å; T92-K100 WeakPolarHBondContact O-CE 3.47Å; T92-W103 HydrophobicContact CG2-CD2 4.09Å; T92-W103 HydrophobicContact CG2-CE3 4.28Å; T92-W103 HydrophobicContact CG2-CH2 4.13Å; T92-W103 HydrophobicContact CG2-CZ2 3.95Å; T92-W103 HydrophobicContact CG2-CZ3 4.29Å |
| 93 | N | 81.5 | Confident | 87.5 | Confident | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -101.3 | -43.9 | -173.8 | -59.1 | 8.3 | 0 | 0 | 0 | 113 | L89 I91 P228 N231 | L89-N93 WeakPolarHBondContact CD2-ND2 3.39Å; L89-N93 WeakPolarHBondContact O-CA 3.5Å; L89-N93 WeakPolarHBondContact O-CB 3.4Å; L89-N93 VanDerWaalsContact O-CG 3.28Å; L89-N93 PolarHBondContact O-N 3.34Å; I91-N93 VanDerWaalsContact C-N 3.27Å; I91-N93 PolarHBondContact O-N 2.96Å; N93-P228 HydrophobicContact CB-CB 4.22Å; N93-P228 HydrophobicContact CB-CG 3.56Å; N93-P228 WeakPolarHBondContact OD1-CB 3.41Å; N93-P228 WeakPolarHBondContact OD1-CG 3.16Å; N93-N231 PolarHBondContact ND2-OD1 3.34Å |
| 94 | R | 83.2 | Confident | 87.4 | Confident | 94 Ų | 94 | 36.1 Ų | 36.1 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -112.9 | -8.3 | -172.2 | -60.2 | -174.7 | 173.1 | -170.8 | 0.3 | 113.1 | S21 F22 E26 N90 | S21-R94 PolarHBondContact O-NH1 2.93Å; S21-R94 WeakPolarHBondContact OG-CD 3.4Å; S21-R94 PolarHBondContact OG-NH1 3.41Å; F22-R94 VanDerWaalsContact CD1-NH2 3.28Å; F22-R94 VanDerWaalsContact CE1-NE 3.32Å; E26-R94 IonicContact OE1-CZ 3.79Å; E26-R94 IonicContact OE1-NH2 2.7Å; E26-R94 PolarHBondContact OE1-NH2 3.38Å; E26-R94 IonicContact OE2-CZ 2.63Å; E26-R94 IonicContact OE2-NH1 3.78Å; E26-R94 IonicContact OE2-NH2 3.99Å; E26-R94 PolarHBondContact OE2-NH2 3.4Å; N90-R94 CarbonylContact O-C 3.35Å; N90-R94 WeakPolarHBondContact O-CA 3.39Å; N90-R94 WeakPolarHBondContact O-CB 3.42Å; N90-R94 PolarHBondContact O-N 3.47Å |
| 95 | G | 82.6 | Confident | 87.3 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | trans | -62.4 | 142.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N90 I91 K100 | N90-G95 PolarHBondContact O-N 2.84Å; I91-G95 WeakPolarHBondContact O-CA 3.3Å; I91-G95 PolarHBondContact O-N 3.02Å; G95-K100 WeakPolarHBondContact O-CE 3.37Å; G95-K100 PolarHBondContact O-NZ 3.26Å | ||
| 96 | D | 85.1 | Confident | 87.4 | Confident | 87 Ų | 87 | 39.1 Ų | 39.1 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | trans | -64.8 | 173.4 | 167 | 69.9 | 33.1 | 0 | 0 | 0 | 110.8 | S98 Q99 K100 | D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 WeakPolarHBondContact OD1-CA 3.29Å; D96-S98 VanDerWaalsContact OD1-CB 3.28Å; D96-S98 WeakPolarHBondContact OD1-CB 3.27Å; D96-S98 PolarHBondContact OD1-N 3.33Å; D96-Q99 PolarHBondContact O-N 2.83Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.41Å; D96-Q99 PolarHBondContact OD1-N 3.03Å; D96-K100 WeakPolarHBondContact O-CG 3.27Å; D96-K100 PolarHBondContact O-N 3.13Å | ||
| 97 | L | 84 | Confident | 87.3 | Confident | 79 Ų | 79 | 39.2 Ų | 39.2 | 41% | 0.414 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.4 | -39 | 179.7 | 176.8 | 59.2 | 0 | 0 | 0 | 112.1 | K100 L101 M180 | L97-K100 PolarHBondContact O-N 3.31Å; L97-L101 HydrophobicContact CD1-CD1 4Å; L97-L101 HydrophobicContact CD1-CD2 4.37Å; L97-L101 HydrophobicContact CD1-CG 3.9Å; L97-L101 HydrophobicContact CG-CD1 3.94Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.11Å; L97-M180 HydrophobicContact CD1-CE 3.43Å; L97-M180 VanDerWaalsContact CD1-CE 3.43Å; L97-M180 HydrophobicContact CD1-SD 4.46Å; L97-M180 HydrophobicContact CD2-CE 4.12Å; L97-M180 HydrophobicContact CG-CE 4.43Å |
| 98 | S | 86.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 38.7 Ų | 38.7 | 43% | 0.427 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.1 | -42.8 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | D96 L101 R102 | D96-S98 PolarHBondContact O-N 3.26Å; D96-S98 WeakPolarHBondContact OD1-CA 3.29Å; D96-S98 VanDerWaalsContact OD1-CB 3.28Å; D96-S98 WeakPolarHBondContact OD1-CB 3.27Å; D96-S98 PolarHBondContact OD1-N 3.33Å; S98-L101 PolarHBondContact O-N 3.27Å; S98-R102 WeakPolarHBondContact O-CG 3.29Å; S98-R102 PolarHBondContact O-N 2.62Å |
| 99 | Q | 88.2 | Confident | 87.6 | Confident | 85 Ų | 85 | 39 Ų | 39 | 40% | 0.397 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | 176 | -67.6 | 175.3 | -64.3 | 0 | 0 | 111.2 | I91 D96 R102 W103 | I91-Q99 HydrophobicContact CG2-CB 4.35Å; D96-Q99 PolarHBondContact O-N 2.83Å; D96-Q99 WeakPolarHBondContact OD1-CG 3.41Å; D96-Q99 PolarHBondContact OD1-N 3.03Å; Q99-R102 PolarHBondContact O-N 2.84Å; Q99-W103 PolarHBondContact O-N 2.89Å |
| 100 | K | 85.8 | Confident | 87.9 | Confident | 57 Ų | 57 | 40.4 Ų | 40.4 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.6 | -71.6 | 170.5 | 174.9 | 167.9 | 0 | 112.6 | T92 G95 D96 L97 W103 A104 | T92-K100 WeakPolarHBondContact O-CE 3.47Å; G95-K100 WeakPolarHBondContact O-CE 3.37Å; G95-K100 PolarHBondContact O-NZ 3.26Å; D96-K100 WeakPolarHBondContact O-CG 3.27Å; D96-K100 PolarHBondContact O-N 3.13Å; L97-K100 PolarHBondContact O-N 3.31Å; K100-W103 PolarHBondContact O-N 3.42Å; K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 3.44Å |
| 101 | L | 89.1 | Confident | 88.1 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 176.7 | -69.5 | 175.4 | 0 | 0 | 0 | 112.3 | L97 S98 A104 F105 I170 V173 L183 | L97-L101 HydrophobicContact CD1-CD1 4Å; L97-L101 HydrophobicContact CD1-CD2 4.37Å; L97-L101 HydrophobicContact CD1-CG 3.9Å; L97-L101 HydrophobicContact CG-CD1 3.94Å; L97-L101 HydrophobicContact CG-CG 4.27Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.4Å; L97-L101 PolarHBondContact O-N 3.11Å; S98-L101 PolarHBondContact O-N 3.27Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.88Å; L101-F105 PolarHBondContact O-N 2.85Å; L101-I170 HydrophobicContact CB-CG1 4.04Å; L101-I170 HydrophobicContact CD1-CG1 4.46Å; L101-I170 HydrophobicContact CD1-CG2 4.16Å; L101-V173 HydrophobicContact CD2-CB 4.24Å; L101-V173 HydrophobicContact CD2-CG1 3.64Å; L101-L183 HydrophobicContact CD2-CD1 4.21Å |
| 102 | R | 91.6 | Very high | 88.4 | Confident | 126 Ų | 126 | 46.5 Ų | 46.5 | 48% | 0.475 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 173.2 | -71.1 | 178.7 | -167.5 | -80.3 | -6.8 | 111.8 | S98 Q99 F105 T106 L166 I170 | S98-R102 WeakPolarHBondContact O-CG 3.29Å; S98-R102 PolarHBondContact O-N 2.62Å; Q99-R102 PolarHBondContact O-N 2.84Å; R102-F105 WeakPolarHBondContact O-CB 3.45Å; R102-F105 PolarHBondContact O-N 3.5Å; R102-T106 PolarHBondContact O-N 3.35Å; R102-L166 HydrophobicContact CG-CD1 4.2Å; R102-L166 HydrophobicContact CG-CD2 4.28Å; R102-I170 HydrophobicContact CG-CD1 4.22Å |
| 103 | W | 90.4 | Very high | 89 | Confident | 25 Ų | 25 | 50 Ų | 50 | 10% | 0.095 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 173.7 | 175.2 | 83.3 | 0 | 0 | 0 | 112.3 | V68 T71 F72 I91 T92 Q99 K100 F105 T106 M107 | V68-W103 HydrophobicContact CG1-CZ2 4.31Å; T71-W103 VanDerWaalsContact OG1-CZ2 3.29Å; T71-W103 WeakPolarHBondContact OG1-CZ2 3.48Å; T71-W103 PolarHBondContact OG1-NE1 2.81Å; F72-W103 HydrophobicContact CD1-CZ2 4.29Å; F72-W103 AromaticContact CE1-CZ2 3.84Å; F72-W103 HydrophobicContact CE1-CZ2 3.84Å; I91-W103 HydrophobicContact CG2-CB 3.77Å; I91-W103 HydrophobicContact CG2-CG 4.17Å; T92-W103 HydrophobicContact CG2-CD2 4.09Å; T92-W103 HydrophobicContact CG2-CE3 4.28Å; T92-W103 HydrophobicContact CG2-CH2 4.13Å; T92-W103 HydrophobicContact CG2-CZ2 3.95Å; T92-W103 HydrophobicContact CG2-CZ3 4.29Å; Q99-W103 PolarHBondContact O-N 2.89Å; K100-W103 PolarHBondContact O-N 3.42Å; W103-F105 VanDerWaalsContact C-N 3.28Å; W103-F105 PolarHBondContact O-N 3.37Å; W103-T106 PolarHBondContact O-N 3.18Å; W103-T106 PolarHBondContact O-OG1 3.38Å; W103-M107 HydrophobicContact CE3-CE 4.28Å; W103-M107 HydrophobicContact CH2-CE 3.31Å; W103-M107 HydrophobicContact CZ2-CE 4.15Å; W103-M107 HydrophobicContact CZ3-CE 3.39Å; W103-M107 PolarHBondContact O-N 3.18Å; W103-M107 VanDerWaalsContact O-N 3.14Å |
| 104 | A | 89.3 | Confident | 89.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K100 L101 T106 M107 Y108 F169 L183 | K100-A104 WeakPolarHBondContact O-CB 3.47Å; K100-A104 PolarHBondContact O-N 3.44Å; L101-A104 WeakPolarHBondContact O-CB 3.24Å; L101-A104 PolarHBondContact O-N 2.88Å; A104-T106 VanDerWaalsContact C-N 3.34Å; A104-T106 PolarHBondContact O-N 2.82Å; A104-M107 WeakPolarHBondContact O-CB 3.27Å; A104-M107 PolarHBondContact O-N 2.98Å; A104-M107 VanDerWaalsContact O-N 3.08Å; A104-Y108 WeakPolarHBondContact O-CD2 3.49Å; A104-Y108 PolarHBondContact O-N 3.49Å; A104-Y108 VanDerWaalsContact O-N 3.09Å; A104-F169 HydrophobicContact CB-CE1 4.17Å; A104-F169 HydrophobicContact CB-CZ 4.25Å; A104-L183 HydrophobicContact CB-CD1 4.24Å; A104-L183 HydrophobicContact CB-CD2 3.58Å; A104-L183 HydrophobicContact CB-CG 4.38Å |
| 105 | F | 91.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.8 | -174.9 | -89.1 | 0 | 0 | 0 | 111.6 | L101 R102 W103 M107 Y108 D109 G114 I116 L166 F169 | L101-F105 PolarHBondContact O-N 2.85Å; R102-F105 WeakPolarHBondContact O-CB 3.45Å; R102-F105 PolarHBondContact O-N 3.5Å; W103-F105 VanDerWaalsContact C-N 3.28Å; W103-F105 PolarHBondContact O-N 3.37Å; F105-M107 PolarHBondContact O-N 3.13Å; F105-Y108 PolarHBondContact O-N 2.86Å; F105-D109 HydrophobicContact CD1-CB 4.46Å; F105-D109 HydrophobicContact CE1-CB 4.17Å; F105-D109 WeakPolarHBondContact O-CB 3.26Å; F105-D109 PolarHBondContact O-N 2.95Å; F105-G114 VanDerWaalsContact CZ-O 3.27Å; F105-G114 WeakPolarHBondContact CZ-O 3.26Å; F105-I116 HydrophobicContact CD2-CD1 3.43Å; F105-I116 VanDerWaalsContact CD2-CD1 3.43Å; F105-I116 HydrophobicContact CD2-CG1 4.03Å; F105-I116 HydrophobicContact CE2-CD1 3.54Å; F105-I116 HydrophobicContact CE2-CG1 3.7Å; F105-I116 HydrophobicContact CG-CD1 4.24Å; F105-I116 HydrophobicContact CZ-CD1 4.41Å; F105-I116 HydrophobicContact CZ-CG1 4.13Å; F105-L166 HydrophobicContact CB-CD1 3.57Å; F105-L166 HydrophobicContact CD1-CD1 4.02Å; F105-L166 HydrophobicContact CD2-CB 4.32Å; F105-L166 HydrophobicContact CD2-CD1 3.75Å; F105-L166 HydrophobicContact CE2-CB 4.19Å; F105-L166 HydrophobicContact CE2-CD1 4.44Å; F105-L166 HydrophobicContact CG-CD1 3.49Å; F105-L166 VanDerWaalsContact CG-CD1 3.49Å; F105-L166 HydrophobicContact CZ-CB 4.28Å; F105-F169 HydrophobicContact CB-CD1 4.03Å; F105-F169 HydrophobicContact CB-CE1 4.13Å; F105-F169 HydrophobicContact CD2-CB 3.76Å; F105-F169 AromaticContact CD2-CD1 3.84Å; F105-F169 HydrophobicContact CD2-CD1 3.84Å; F105-F169 AromaticContact CD2-CG 3.8Å; F105-F169 HydrophobicContact CD2-CG 3.8Å; F105-F169 HydrophobicContact CE2-CB 4.1Å; F105-F169 HydrophobicContact CG-CD1 4.46Å |
| 106 | T | 90.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 36% | 0.362 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -21.7 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | R70 R102 W103 A104 | R70-T106 PolarHBondContact NH2-O 3.2Å; R102-T106 PolarHBondContact O-N 3.35Å; W103-T106 PolarHBondContact O-N 3.18Å; W103-T106 PolarHBondContact O-OG1 3.38Å; A104-T106 VanDerWaalsContact C-N 3.34Å; A104-T106 PolarHBondContact O-N 2.82Å |
| 107 | M | 89.7 | Confident | 91.7 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.7 | -35.4 | 172.3 | -175 | -150.7 | -59.7 | 0 | 0 | 111.1 | F64 V68 R70 T71 W103 A104 F105 | F64-M107 HydrophobicContact CE1-SD 4.47Å; F64-M107 HydrophobicContact CE2-SD 3.61Å; F64-M107 HydrophobicContact CZ-CE 3.98Å; F64-M107 HydrophobicContact CZ-SD 3.5Å; F64-M107 VanDerWaalsContact CZ-SD 3.5Å; V68-M107 HydrophobicContact CG2-CE 4.4Å; R70-M107 PolarHBondContact NH2-O 2.97Å; T71-M107 HydrophobicContact CG2-CB 3.85Å; W103-M107 HydrophobicContact CE3-CE 4.28Å; W103-M107 HydrophobicContact CH2-CE 3.31Å; W103-M107 HydrophobicContact CZ2-CE 4.15Å; W103-M107 HydrophobicContact CZ3-CE 3.39Å; W103-M107 PolarHBondContact O-N 3.18Å; W103-M107 VanDerWaalsContact O-N 3.14Å; A104-M107 WeakPolarHBondContact O-CB 3.27Å; A104-M107 PolarHBondContact O-N 2.98Å; A104-M107 VanDerWaalsContact O-N 3.08Å; F105-M107 PolarHBondContact O-N 3.13Å |
| 108 | Y | 91.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -86.8 | -31.4 | -174.7 | -81.4 | -121 | 0 | 0 | 0 | 113.1 | A104 F105 L110 I116 D120 L121 V124 I128 F169 L179 L183 | A104-Y108 WeakPolarHBondContact O-CD2 3.49Å; A104-Y108 PolarHBondContact O-N 3.49Å; A104-Y108 VanDerWaalsContact O-N 3.09Å; F105-Y108 PolarHBondContact O-N 2.86Å; Y108-L110 PolarHBondContact O-N 3.22Å; Y108-I116 HydrophobicContact CG-CD1 4.48Å; Y108-D120 WeakPolarHBondContact O-CB 3.15Å; Y108-L121 HydrophobicContact CD1-CD1 3.69Å; Y108-L121 HydrophobicContact CE1-CD1 3.69Å; Y108-V124 HydrophobicContact CD1-CB 4.28Å; Y108-V124 HydrophobicContact CD1-CG1 3.99Å; Y108-V124 HydrophobicContact CD2-CG1 4.08Å; Y108-V124 HydrophobicContact CE1-CB 4.3Å; Y108-V124 HydrophobicContact CE1-CG1 3.68Å; Y108-V124 HydrophobicContact CE2-CG1 3.77Å; Y108-V124 HydrophobicContact CG-CG1 4.2Å; Y108-V124 HydrophobicContact CG-CG2 4.49Å; Y108-I128 WeakPolarHBondContact OH-CD1 3.44Å; Y108-F169 HydrophobicContact CD1-CE2 4.44Å; Y108-L179 HydrophobicContact CE1-CD1 4.04Å; Y108-L183 HydrophobicContact CD2-CD2 4.3Å; Y108-L183 HydrophobicContact CE2-CD2 3.38Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.34Å |
| 109 | D | 94 | Very high | 92.7 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | trans | -72.3 | 102.6 | 169.6 | 177.4 | -4.2 | 0 | 0 | 0 | 108.3 | R70 F105 N112 D113 G114 Y115 I116 | R70-D109 PolarHBondContact NH2-O 3.1Å; F105-D109 HydrophobicContact CD1-CB 4.46Å; F105-D109 HydrophobicContact CE1-CB 4.17Å; F105-D109 WeakPolarHBondContact O-CB 3.26Å; F105-D109 PolarHBondContact O-N 2.95Å; D109-N112 WeakPolarHBondContact OD1-CA 3.44Å; D109-N112 PolarHBondContact OD1-N 3.41Å; D109-N112 WeakPolarHBondContact OD2-CA 3.37Å; D109-D113 PolarHBondContact OD1-N 3.22Å; D109-D113 PolarHBondContact OD2-N 2.83Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.29Å; D109-G114 PolarHBondContact OD2-N 2.9Å; D109-Y115 VanDerWaalsContact CG-O 3.25Å; D109-I116 HydrophobicContact CB-CG1 4.26Å | ||
| 110 | L | 93.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -85.2 | -29.5 | -169.6 | -61.9 | -174.2 | 0 | 0 | 0 | 113.7 | Y67 R70 Y108 D120 E123 V124 | Y67-L110 HydrophobicContact CD1-CD2 3.82Å; Y67-L110 HydrophobicContact CE1-CD1 4.41Å; Y67-L110 HydrophobicContact CE1-CD2 3.72Å; R70-L110 PolarHBondContact NH1-O 3.32Å; Y108-L110 PolarHBondContact O-N 3.22Å; L110-D120 HydrophobicContact CB-CB 4.47Å; L110-D120 WeakPolarHBondContact CB-OD1 3.41Å; L110-D120 HydrophobicContact CD1-CB 4.21Å; L110-D120 HydrophobicContact CG-CB 3.96Å; L110-E123 HydrophobicContact CD1-CB 3.83Å; L110-E123 HydrophobicContact CD1-CG 4.25Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.44Å; L110-V124 HydrophobicContact CD1-CG2 4.46Å; L110-V124 HydrophobicContact CD2-CG2 3.88Å; L110-V124 HydrophobicContact CG-CG2 4.42Å |
| 111 | D | 93.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 44.4 Ų | 44.4 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -99 | -3.7 | 178.3 | 63.6 | 0.4 | 0 | 0 | 0 | 113.3 | D113 | D111-D113 VanDerWaalsContact C-N 3.31Å; D111-D113 PolarHBondContact OD1-N 2.85Å |
| 112 | N | 91.8 | Very high | 93.7 | Very high | 94 Ų | 94 | 45 Ų | 45 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | trans | 60.5 | 36.8 | 179.6 | -55.5 | -71.4 | 0 | 0 | 0 | 112.8 | D109 G114 | D109-N112 WeakPolarHBondContact OD1-CA 3.44Å; D109-N112 PolarHBondContact OD1-N 3.41Å; D109-N112 WeakPolarHBondContact OD2-CA 3.37Å; N112-G114 VanDerWaalsContact C-N 3.25Å | ||
| 113 | D | 95.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 41.8 Ų | 41.8 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -83 | -4.2 | 177.4 | 87.2 | -12.7 | 0 | 0 | 0 | 113.3 | D109 D111 Y115 | D109-D113 PolarHBondContact OD1-N 3.22Å; D109-D113 PolarHBondContact OD2-N 2.83Å; D111-D113 VanDerWaalsContact C-N 3.31Å; D111-D113 PolarHBondContact OD1-N 2.85Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.36Å; D113-Y115 PolarHBondContact OD1-N 3.39Å |
| 114 | G | 96.2 | Very high | 93.9 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 91.1 | 6.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F105 D109 N112 | F105-G114 VanDerWaalsContact CZ-O 3.27Å; F105-G114 WeakPolarHBondContact CZ-O 3.26Å; D109-G114 VanDerWaalsContact OD2-CA 3.3Å; D109-G114 WeakPolarHBondContact OD2-CA 3.29Å; D109-G114 PolarHBondContact OD2-N 2.9Å; N112-G114 VanDerWaalsContact C-N 3.25Å |
| 115 | Y | 97.9 | Very high | 93.9 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 30% | 0.302 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -135.3 | 156.5 | 179 | -57.9 | -89.8 | 0 | 0 | 0 | 111.1 | D109 D113 R163 L164 | D109-Y115 VanDerWaalsContact CG-O 3.25Å; D113-Y115 WeakPolarHBondContact OD1-CA 3.49Å; D113-Y115 WeakPolarHBondContact OD1-CB 3.36Å; D113-Y115 PolarHBondContact OD1-N 3.39Å; Y115-R163 HydrophobicContact CD1-CB 4.44Å; Y115-R163 HydrophobicContact CD1-CG 3.87Å; Y115-R163 HydrophobicContact CG-CB 4.46Å; Y115-R163 HydrophobicContact CG-CG 4.19Å; Y115-L164 WeakPolarHBondContact CA-O 3.43Å |
| 116 | I | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.4 | 170.4 | -60.4 | 163 | 0 | 0 | 0 | 107.3 | F105 Y108 D109 D120 L121 F153 R163 L164 F169 | F105-I116 HydrophobicContact CD2-CD1 3.43Å; F105-I116 VanDerWaalsContact CD2-CD1 3.43Å; F105-I116 HydrophobicContact CD2-CG1 4.03Å; F105-I116 HydrophobicContact CE2-CD1 3.54Å; F105-I116 HydrophobicContact CE2-CG1 3.7Å; F105-I116 HydrophobicContact CG-CD1 4.24Å; F105-I116 HydrophobicContact CZ-CD1 4.41Å; F105-I116 HydrophobicContact CZ-CG1 4.13Å; Y108-I116 HydrophobicContact CG-CD1 4.48Å; D109-I116 HydrophobicContact CB-CG1 4.26Å; I116-D120 HydrophobicContact CG2-CB 4.15Å; I116-L121 HydrophobicContact CG2-CB 4.25Å; I116-F153 WeakPolarHBondContact O-CZ 3.25Å; I116-R163 WeakPolarHBondContact O-CA 3.24Å; I116-L164 HydrophobicContact CB-CB 4.22Å; I116-L164 PolarHBondContact N-O 2.99Å; I116-L164 PolarHBondContact O-N 3.37Å; I116-F169 HydrophobicContact CD1-CB 4.45Å; I116-F169 HydrophobicContact CD1-CD2 3.54Å; I116-F169 HydrophobicContact CD1-CE2 3.86Å; I116-F169 HydrophobicContact CD1-CG 4.01Å |
| 117 | S | 97.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 165.2 | 171.7 | 81 | 0 | 0 | 0 | 0 | 111.3 | Q119 D120 L121 | S117-Q119 PolarHBondContact O-N 2.9Å; S117-Q119 PolarHBondContact OG-N 3Å; S117-D120 WeakPolarHBondContact CA-OD2 3.27Å; S117-D120 WeakPolarHBondContact CB-OD2 3.49Å; S117-D120 PolarHBondContact N-OD2 3.36Å; S117-D120 PolarHBondContact O-N 3.23Å; S117-D120 PolarHBondContact OG-N 3.3Å; S117-D120 PolarHBondContact OG-OD2 3.18Å; S117-L121 PolarHBondContact O-N 2.85Å; S117-L121 VanDerWaalsContact O-N 3.15Å |
| 118 | K | 96.1 | Very high | 93.6 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 174.9 | -171.2 | -178.1 | -177.7 | -178.7 | 0 | 111.8 | L121 V122 A149 E150 F153 | K118-L121 PolarHBondContact O-N 2.8Å; K118-V122 WeakPolarHBondContact O-CG2 3.48Å; K118-V122 PolarHBondContact O-N 2.98Å; K118-A149 HydrophobicContact CG-CB 4.35Å; K118-E150 VanDerWaalsContact CE-OE2 3.23Å; K118-E150 WeakPolarHBondContact CE-OE2 3.38Å; K118-E150 IonicContact NZ-OE2 3.19Å; K118-E150 PolarHBondContact NZ-OE2 3.24Å; K118-F153 VanDerWaalsContact CA-CZ 3.5Å; K118-F153 HydrophobicContact CB-CD2 4.22Å; K118-F153 HydrophobicContact CB-CE1 4.28Å; K118-F153 HydrophobicContact CB-CE2 3.9Å; K118-F153 HydrophobicContact CB-CZ 3.94Å; K118-F153 HydrophobicContact CG-CD2 4.25Å; K118-F153 HydrophobicContact CG-CE2 4.34Å |
| 119 | Q | 96.7 | Very high | 93.3 | Very high | 124 Ų | 124 | 40.9 Ų | 40.9 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -67 | -43.6 | 179.5 | -176.8 | 55.8 | 38.1 | 0 | 0 | 110.8 | S117 L121 V122 E123 | S117-Q119 PolarHBondContact O-N 2.9Å; S117-Q119 PolarHBondContact OG-N 3Å; Q119-L121 VanDerWaalsContact C-N 3.31Å; Q119-L121 PolarHBondContact O-N 2.95Å; Q119-V122 PolarHBondContact O-N 3.42Å; Q119-E123 PolarHBondContact O-N 3.39Å |
| 120 | D | 96.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 176.8 | -57.2 | -39.5 | 0 | 0 | 0 | 111.2 | Y108 L110 I116 S117 V122 E123 V124 | Y108-D120 WeakPolarHBondContact O-CB 3.15Å; L110-D120 HydrophobicContact CB-CB 4.47Å; L110-D120 WeakPolarHBondContact CB-OD1 3.41Å; L110-D120 HydrophobicContact CD1-CB 4.21Å; L110-D120 HydrophobicContact CG-CB 3.96Å; I116-D120 HydrophobicContact CG2-CB 4.15Å; S117-D120 WeakPolarHBondContact CA-OD2 3.27Å; S117-D120 WeakPolarHBondContact CB-OD2 3.49Å; S117-D120 PolarHBondContact N-OD2 3.36Å; S117-D120 PolarHBondContact O-N 3.23Å; S117-D120 PolarHBondContact OG-N 3.3Å; S117-D120 PolarHBondContact OG-OD2 3.18Å; D120-V122 PolarHBondContact O-N 2.91Å; D120-E123 PolarHBondContact O-N 3.42Å; D120-E123 VanDerWaalsContact O-N 3.12Å; D120-V124 WeakPolarHBondContact O-CG2 3.32Å; D120-V124 PolarHBondContact O-N 3.37Å |
| 121 | L | 93.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 179.9 | -173.6 | 61.4 | 0 | 0 | 0 | 112.1 | Y108 I116 S117 K118 Q119 E123 L125 A149 I152 F153 | Y108-L121 HydrophobicContact CD1-CD1 3.69Å; Y108-L121 HydrophobicContact CE1-CD1 3.69Å; I116-L121 HydrophobicContact CG2-CB 4.25Å; S117-L121 PolarHBondContact O-N 2.85Å; S117-L121 VanDerWaalsContact O-N 3.15Å; K118-L121 PolarHBondContact O-N 2.8Å; Q119-L121 VanDerWaalsContact C-N 3.31Å; Q119-L121 PolarHBondContact O-N 2.95Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.88Å; L121-L125 HydrophobicContact CD1-CD1 4.11Å; L121-L125 HydrophobicContact CD1-CG 4.15Å; L121-L125 HydrophobicContact CG-CD1 3.84Å; L121-L125 HydrophobicContact CG-CG 4.31Å; L121-L125 WeakPolarHBondContact O-CB 3.34Å; L121-L125 WeakPolarHBondContact O-CD1 3.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 2.98Å; L121-A149 HydrophobicContact CB-CB 4.27Å; L121-A149 HydrophobicContact CD2-CB 3.89Å; L121-A149 HydrophobicContact CG-CB 3.98Å; L121-I152 HydrophobicContact CD1-CD1 4.3Å; L121-I152 HydrophobicContact CD2-CB 3.69Å; L121-I152 HydrophobicContact CD2-CD1 3.92Å; L121-I152 HydrophobicContact CD2-CG1 4.42Å; L121-I152 HydrophobicContact CD2-CG2 3.46Å; L121-I152 VanDerWaalsContact CD2-CG2 3.46Å; L121-I152 HydrophobicContact CG-CD1 4.47Å; L121-F153 HydrophobicContact CB-CE2 4.25Å; L121-F153 HydrophobicContact CD2-CD2 3.86Å; L121-F153 HydrophobicContact CD2-CE2 3.79Å |
| 122 | V | 94.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | K118 Q119 D120 L125 T126 P145 E146 A149 | K118-V122 WeakPolarHBondContact O-CG2 3.48Å; K118-V122 PolarHBondContact O-N 2.98Å; Q119-V122 PolarHBondContact O-N 3.42Å; D120-V122 PolarHBondContact O-N 2.91Å; V122-L125 PolarHBondContact O-N 3.1Å; V122-T126 VanDerWaalsContact O-CB 3.31Å; V122-T126 WeakPolarHBondContact O-CB 3.32Å; V122-T126 PolarHBondContact O-N 3.32Å; V122-T126 PolarHBondContact O-OG1 3.25Å; V122-P145 HydrophobicContact CG1-CB 4.38Å; V122-E146 HydrophobicContact CG1-CG 4.12Å; V122-E146 HydrophobicContact CG2-CG 4.33Å; V122-A149 HydrophobicContact CG2-CB 3.47Å; V122-A149 VanDerWaalsContact CG2-CB 3.47Å |
| 123 | E | 95.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 34.8 Ų | 34.8 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68.8 | -42 | -175.9 | -149.3 | 179.5 | 169.2 | 0 | 0 | 112.2 | R63 Y67 L110 Q119 D120 L121 T126 A127 | R63-E123 IonicContact CZ-OE1 2.79Å; R63-E123 IonicContact NH2-OE1 2.7Å; R63-E123 PolarHBondContact NH2-OE1 3.35Å; Y67-E123 WeakPolarHBondContact OH-CG 3.26Å; L110-E123 HydrophobicContact CD1-CB 3.83Å; L110-E123 HydrophobicContact CD1-CG 4.25Å; L110-E123 WeakPolarHBondContact CD1-OE2 3.44Å; Q119-E123 PolarHBondContact O-N 3.39Å; D120-E123 PolarHBondContact O-N 3.42Å; D120-E123 VanDerWaalsContact O-N 3.12Å; L121-E123 VanDerWaalsContact C-N 3.29Å; L121-E123 PolarHBondContact O-N 2.88Å; E123-T126 PolarHBondContact O-N 3.05Å; E123-A127 PolarHBondContact O-N 3.27Å |
| 124 | V | 90.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -45.4 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | F64 Y67 Y108 L110 D120 T126 A127 I128 | F64-V124 HydrophobicContact CE2-CG1 4.35Å; Y67-V124 HydrophobicContact CD2-CG2 4.24Å; Y67-V124 HydrophobicContact CE2-CB 4.48Å; Y67-V124 HydrophobicContact CE2-CG2 4.05Å; Y108-V124 HydrophobicContact CD1-CB 4.28Å; Y108-V124 HydrophobicContact CD1-CG1 3.99Å; Y108-V124 HydrophobicContact CD2-CG1 4.08Å; Y108-V124 HydrophobicContact CE1-CB 4.3Å; Y108-V124 HydrophobicContact CE1-CG1 3.68Å; Y108-V124 HydrophobicContact CE2-CG1 3.77Å; Y108-V124 HydrophobicContact CG-CG1 4.2Å; Y108-V124 HydrophobicContact CG-CG2 4.49Å; L110-V124 HydrophobicContact CD1-CG2 4.46Å; L110-V124 HydrophobicContact CD2-CG2 3.88Å; L110-V124 HydrophobicContact CG-CG2 4.42Å; D120-V124 WeakPolarHBondContact O-CG2 3.32Å; D120-V124 PolarHBondContact O-N 3.37Å; V124-T126 VanDerWaalsContact C-N 3.28Å; V124-T126 PolarHBondContact O-N 3.09Å; V124-A127 WeakPolarHBondContact O-CB 3.38Å; V124-A127 PolarHBondContact O-N 3.05Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.45Å; V124-I128 WeakPolarHBondContact O-CG1 3.03Å; V124-I128 PolarHBondContact O-N 2.79Å |
| 125 | L | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -36.9 | 176.7 | -72.7 | 173 | 0 | 0 | 0 | 111.8 | L121 V122 A127 I128 Y129 P145 R148 A149 I152 L182 | L121-L125 HydrophobicContact CD1-CD1 4.11Å; L121-L125 HydrophobicContact CD1-CG 4.15Å; L121-L125 HydrophobicContact CG-CD1 3.84Å; L121-L125 HydrophobicContact CG-CG 4.31Å; L121-L125 WeakPolarHBondContact O-CB 3.34Å; L121-L125 WeakPolarHBondContact O-CD1 3.37Å; L121-L125 WeakPolarHBondContact O-CG 3.49Å; L121-L125 PolarHBondContact O-N 2.98Å; V122-L125 PolarHBondContact O-N 3.1Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-A127 PolarHBondContact O-N 3.49Å; L125-I128 PolarHBondContact O-N 3.33Å; L125-Y129 HydrophobicContact CB-CE2 4.46Å; L125-Y129 HydrophobicContact CD2-CE2 4.35Å; L125-Y129 WeakPolarHBondContact O-CB 3.49Å; L125-Y129 WeakPolarHBondContact O-CD2 3.42Å; L125-Y129 PolarHBondContact O-N 3.36Å; L125-P145 HydrophobicContact CB-CB 3.91Å; L125-R148 HydrophobicContact CD1-CB 3.98Å; L125-R148 HydrophobicContact CD1-CG 3.88Å; L125-R148 HydrophobicContact CD2-CG 4.44Å; L125-A149 HydrophobicContact CD1-CB 4.14Å; L125-I152 HydrophobicContact CD1-CD1 4.21Å; L125-L182 HydrophobicContact CD2-CD1 4.46Å |
| 126 | T | 91.5 | Very high | 86.5 | Confident | 51 Ų | 51 | 35.9 Ų | 35.9 | 31% | 0.313 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | V122 E123 V124 I128 Y129 A130 P145 | V122-T126 VanDerWaalsContact O-CB 3.31Å; V122-T126 WeakPolarHBondContact O-CB 3.32Å; V122-T126 PolarHBondContact O-N 3.32Å; V122-T126 PolarHBondContact O-OG1 3.25Å; E123-T126 PolarHBondContact O-N 3.05Å; V124-T126 VanDerWaalsContact C-N 3.28Å; V124-T126 PolarHBondContact O-N 3.09Å; T126-I128 VanDerWaalsContact C-N 3.35Å; T126-Y129 PolarHBondContact O-N 3.16Å; T126-A130 PolarHBondContact O-N 3.12Å; T126-A130 VanDerWaalsContact O-N 3.1Å; T126-P145 WeakPolarHBondContact OG1-CB 3.24Å; T126-P145 WeakPolarHBondContact OG1-CG 3.31Å |
| 127 | A | 89.5 | Confident | 85.1 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R63 F64 Y67 E123 V124 L125 A130 M131 | R63-A127 HydrophobicContact CB-CB 4.01Å; R63-A127 HydrophobicContact CG-CB 4Å; F64-A127 HydrophobicContact CB-CB 4.17Å; F64-A127 HydrophobicContact CD2-CB 4.42Å; Y67-A127 HydrophobicContact CD2-CB 4.39Å; Y67-A127 HydrophobicContact CE2-CB 3.73Å; E123-A127 PolarHBondContact O-N 3.27Å; V124-A127 WeakPolarHBondContact O-CB 3.38Å; V124-A127 PolarHBondContact O-N 3.05Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-A127 PolarHBondContact O-N 3.49Å; A127-A130 PolarHBondContact O-N 3.03Å; A127-M131 WeakPolarHBondContact O-CB 3.47Å; A127-M131 PolarHBondContact O-N 2.7Å |
| 128 | I | 84.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177.2 | -68.7 | 167.9 | 0 | 0 | 0 | 111.2 | F64 Y108 V124 L125 T126 A130 M131 V132 L182 | F64-I128 HydrophobicContact CD2-CG1 3.71Å; F64-I128 HydrophobicContact CE2-CD1 3.95Å; F64-I128 HydrophobicContact CE2-CG1 3.56Å; F64-I128 HydrophobicContact CZ-CG1 4.42Å; Y108-I128 WeakPolarHBondContact OH-CD1 3.44Å; V124-I128 HydrophobicContact CG1-CD1 3.86Å; V124-I128 HydrophobicContact CG1-CG1 4.45Å; V124-I128 WeakPolarHBondContact O-CG1 3.03Å; V124-I128 PolarHBondContact O-N 2.79Å; L125-I128 PolarHBondContact O-N 3.33Å; T126-I128 VanDerWaalsContact C-N 3.35Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 2.76Å; I128-M131 PolarHBondContact O-N 3.16Å; I128-M131 VanDerWaalsContact O-N 3.09Å; I128-V132 HydrophobicContact CG2-CG1 4.29Å; I128-V132 WeakPolarHBondContact O-CG2 3.27Å; I128-V132 PolarHBondContact O-N 2.91Å; I128-L182 HydrophobicContact CD1-CD1 4.4Å; I128-L182 HydrophobicContact CG2-CD1 3.81Å; I128-L182 HydrophobicContact CG2-CD2 3.48Å; I128-L182 VanDerWaalsContact CG2-CD2 3.48Å; I128-L182 HydrophobicContact CG2-CG 4.16Å |
| 129 | Y | 84.4 | Confident | 82.5 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | -179.6 | -83 | -133.6 | 0 | 0 | 0 | 110.8 | L125 T126 G133 F138 D142 P145 | L125-Y129 HydrophobicContact CB-CE2 4.46Å; L125-Y129 HydrophobicContact CD2-CE2 4.35Å; L125-Y129 WeakPolarHBondContact O-CB 3.49Å; L125-Y129 WeakPolarHBondContact O-CD2 3.42Å; L125-Y129 PolarHBondContact O-N 3.36Å; T126-Y129 PolarHBondContact O-N 3.16Å; Y129-G133 WeakPolarHBondContact O-CA 3.28Å; Y129-G133 PolarHBondContact O-N 3.22Å; Y129-F138 HydrophobicContact CD1-CD2 4.07Å; Y129-F138 AromaticContact CD1-CE2 3.87Å; Y129-F138 HydrophobicContact CD1-CE2 3.87Å; Y129-F138 HydrophobicContact CD1-CZ 4.25Å; Y129-F138 HydrophobicContact CD2-CE1 4.27Å; Y129-F138 HydrophobicContact CD2-CE2 4.15Å; Y129-F138 AromaticContact CD2-CZ 3.76Å; Y129-F138 HydrophobicContact CD2-CZ 3.76Å; Y129-F138 HydrophobicContact CE1-CD1 4.14Å; Y129-F138 AromaticContact CE1-CD2 3.86Å; Y129-F138 HydrophobicContact CE1-CD2 3.86Å; Y129-F138 HydrophobicContact CE1-CE1 4.24Å; Y129-F138 AromaticContact CE1-CE2 3.96Å; Y129-F138 HydrophobicContact CE1-CE2 3.96Å; Y129-F138 AromaticContact CE1-CG 3.94Å; Y129-F138 HydrophobicContact CE1-CG 3.94Å; Y129-F138 HydrophobicContact CE1-CZ 4.14Å; Y129-F138 HydrophobicContact CE2-CD1 4.26Å; Y129-F138 AromaticContact CE2-CE1 3.67Å; Y129-F138 HydrophobicContact CE2-CE1 3.67Å; Y129-F138 HydrophobicContact CE2-CE2 4.24Å; Y129-F138 AromaticContact CE2-CZ 3.65Å; Y129-F138 HydrophobicContact CE2-CZ 3.65Å; Y129-F138 AromaticContact CG-CE2 3.99Å; Y129-F138 HydrophobicContact CG-CE2 3.99Å; Y129-F138 HydrophobicContact CG-CZ 4.08Å; Y129-F138 AromaticContact CZ-CD1 3.76Å; Y129-F138 AromaticContact CZ-CE1 3.65Å; Y129-F138 AromaticContact CZ-CZ 3.85Å; Y129-D142 WeakPolarHBondContact CE1-O 3.41Å; Y129-D142 PolarHBondContact OH-O 3.46Å; Y129-P145 HydrophobicContact CD1-CG 4.19Å; Y129-P145 HydrophobicContact CG-CG 4.2Å |
| 130 | A | 85 | Confident | 80.8 | Confident | 43 Ų | 43 | 43.2 Ų | 43.2 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E60 T126 A127 I128 | E60-A130 HydrophobicContact CB-CB 4.23Å; E60-A130 PolarHBondContact N-O 2.85Å; E60-A130 CarbonylContact O-C 3.49Å; T126-A130 PolarHBondContact O-N 3.12Å; T126-A130 VanDerWaalsContact O-N 3.1Å; A127-A130 PolarHBondContact O-N 3.03Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 2.76Å |
| 131 | M | 81.7 | Confident | 79.4 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.054 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.7 | -40.2 | -179.8 | -177 | 177.9 | 70.4 | 0 | 0 | 113.1 | Y52 F56 G59 E60 F64 A127 I128 | Y52-M131 HydrophobicContact CE1-SD 4.32Å; F56-M131 HydrophobicContact CB-CG 4.39Å; F56-M131 HydrophobicContact CD1-CG 3.93Å; F56-M131 HydrophobicContact CD1-SD 4.1Å; F56-M131 HydrophobicContact CD2-SD 4.15Å; F56-M131 HydrophobicContact CE1-CE 4.24Å; F56-M131 HydrophobicContact CE1-CG 4.36Å; F56-M131 HydrophobicContact CE1-SD 4.02Å; F56-M131 HydrophobicContact CE2-SD 4.07Å; F56-M131 HydrophobicContact CG-CG 4.06Å; F56-M131 HydrophobicContact CG-SD 4.16Å; F56-M131 HydrophobicContact CZ-CE 4.36Å; F56-M131 HydrophobicContact CZ-SD 4.01Å; G59-M131 WeakPolarHBondContact CA-O 3.11Å; E60-M131 VanDerWaalsContact O-CA 3.23Å; E60-M131 WeakPolarHBondContact O-CA 3.47Å; E60-M131 PolarHBondContact O-N 3.24Å; F64-M131 HydrophobicContact CB-SD 3.95Å; F64-M131 HydrophobicContact CD1-CE 3.71Å; F64-M131 HydrophobicContact CD1-SD 3.53Å; F64-M131 VanDerWaalsContact CD1-SD 3.53Å; F64-M131 HydrophobicContact CE1-CE 3.93Å; F64-M131 HydrophobicContact CE1-SD 4.28Å; F64-M131 HydrophobicContact CG-CE 4.06Å; F64-M131 HydrophobicContact CG-SD 3.9Å; F64-M131 HydrophobicContact CZ-CE 4.48Å; A127-M131 WeakPolarHBondContact O-CB 3.47Å; A127-M131 PolarHBondContact O-N 2.7Å; I128-M131 PolarHBondContact O-N 3.16Å; I128-M131 VanDerWaalsContact O-N 3.09Å |
| 132 | V | 76.5 | Confident | 78.4 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.8 | -26 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 112 | I128 S134 A135 V136 F138 L182 | I128-V132 HydrophobicContact CG2-CG1 4.29Å; I128-V132 WeakPolarHBondContact O-CG2 3.27Å; I128-V132 PolarHBondContact O-N 2.91Å; V132-S134 PolarHBondContact O-N 3.11Å; V132-A135 WeakPolarHBondContact O-CB 3.25Å; V132-A135 PolarHBondContact O-N 3.09Å; V132-V136 HydrophobicContact CB-CB 4.21Å; V132-V136 HydrophobicContact CB-CG2 3.89Å; V132-V136 HydrophobicContact CG1-CG2 4.13Å; V132-V136 HydrophobicContact CG2-CB 4.04Å; V132-V136 HydrophobicContact CG2-CG2 4.24Å; V132-F138 HydrophobicContact CG2-CE2 3.66Å; V132-F138 HydrophobicContact CG2-CZ 3.69Å; V132-L182 HydrophobicContact CG1-CD2 4.38Å |
| 133 | G | 75.3 | Confident | 77.5 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | 50.5 | -130.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y129 A135 | Y129-G133 WeakPolarHBondContact O-CA 3.28Å; Y129-G133 PolarHBondContact O-N 3.22Å; G133-A135 VanDerWaalsContact C-N 3.29Å; G133-A135 PolarHBondContact O-N 3.42Å |
| 134 | S | 69.2 | Low | 77.2 | Confident | 122 Ų | 122 | 48 Ų | 48 | 85% | 0.853 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -82.9 | 1.5 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | V132 V136 | V132-S134 PolarHBondContact O-N 3.11Å; S134-V136 PolarHBondContact O-N 2.84Å |
| 135 | A | 66.5 | Low | 77.1 | Confident | 74 Ų | 74 | 48.8 Ų | 48.8 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -72.5 | -18.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V132 G133 | V132-A135 WeakPolarHBondContact O-CB 3.25Å; V132-A135 PolarHBondContact O-N 3.09Å; G133-A135 VanDerWaalsContact C-N 3.29Å; G133-A135 PolarHBondContact O-N 3.42Å |
| 136 | V | 66.3 | Low | 77.4 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -122.9 | 117.1 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | V132 S134 F138 F185 | V132-V136 HydrophobicContact CB-CB 4.21Å; V132-V136 HydrophobicContact CB-CG2 3.89Å; V132-V136 HydrophobicContact CG1-CG2 4.13Å; V132-V136 HydrophobicContact CG2-CB 4.04Å; V132-V136 HydrophobicContact CG2-CG2 4.24Å; S134-V136 PolarHBondContact O-N 2.84Å; V136-F138 HydrophobicContact CB-CE2 4.33Å; V136-F138 HydrophobicContact CB-CZ 4.32Å; V136-F138 HydrophobicContact CG1-CD1 4.43Å; V136-F138 HydrophobicContact CG1-CE1 4.06Å; V136-F138 HydrophobicContact CG1-CE2 4.29Å; V136-F138 HydrophobicContact CG1-CZ 4Å; V136-F138 PolarHBondContact O-N 3.31Å; V136-F185 HydrophobicContact CG2-CZ 4.3Å |
| 137 | E | 67 | Low | 77.3 | Confident | 192 Ų | 192 | 56.7 Ų | 56.7 | 90% | 0.897 | 34% | 0.342 | S | S | * | . | trans | -76.6 | 111.1 | 170.5 | -72.6 | -173.4 | 172.5 | 0 | 0 | 109.6 | ||||
| 138 | F | 69.7 | Low | 77.3 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 19% | 0.193 | 35% | 0.345 | C | S | . | . | trans | -82.3 | 132.6 | 167.9 | -60.7 | -78.9 | 0 | 0 | 0 | 109.3 | Y129 V132 V136 D142 L178 | Y129-F138 HydrophobicContact CD1-CD2 4.07Å; Y129-F138 AromaticContact CD1-CE2 3.87Å; Y129-F138 HydrophobicContact CD1-CE2 3.87Å; Y129-F138 HydrophobicContact CD1-CZ 4.25Å; Y129-F138 HydrophobicContact CD2-CE1 4.27Å; Y129-F138 HydrophobicContact CD2-CE2 4.15Å; Y129-F138 AromaticContact CD2-CZ 3.76Å; Y129-F138 HydrophobicContact CD2-CZ 3.76Å; Y129-F138 HydrophobicContact CE1-CD1 4.14Å; Y129-F138 AromaticContact CE1-CD2 3.86Å; Y129-F138 HydrophobicContact CE1-CD2 3.86Å; Y129-F138 HydrophobicContact CE1-CE1 4.24Å; Y129-F138 AromaticContact CE1-CE2 3.96Å; Y129-F138 HydrophobicContact CE1-CE2 3.96Å; Y129-F138 AromaticContact CE1-CG 3.94Å; Y129-F138 HydrophobicContact CE1-CG 3.94Å; Y129-F138 HydrophobicContact CE1-CZ 4.14Å; Y129-F138 HydrophobicContact CE2-CD1 4.26Å; Y129-F138 AromaticContact CE2-CE1 3.67Å; Y129-F138 HydrophobicContact CE2-CE1 3.67Å; Y129-F138 HydrophobicContact CE2-CE2 4.24Å; Y129-F138 AromaticContact CE2-CZ 3.65Å; Y129-F138 HydrophobicContact CE2-CZ 3.65Å; Y129-F138 AromaticContact CG-CE2 3.99Å; Y129-F138 HydrophobicContact CG-CE2 3.99Å; Y129-F138 HydrophobicContact CG-CZ 4.08Å; Y129-F138 AromaticContact CZ-CD1 3.76Å; Y129-F138 AromaticContact CZ-CE1 3.65Å; Y129-F138 AromaticContact CZ-CZ 3.85Å; V132-F138 HydrophobicContact CG2-CE2 3.66Å; V132-F138 HydrophobicContact CG2-CZ 3.69Å; V136-F138 HydrophobicContact CB-CE2 4.33Å; V136-F138 HydrophobicContact CB-CZ 4.32Å; V136-F138 HydrophobicContact CG1-CD1 4.43Å; V136-F138 HydrophobicContact CG1-CE1 4.06Å; V136-F138 HydrophobicContact CG1-CE2 4.29Å; V136-F138 HydrophobicContact CG1-CZ 4Å; V136-F138 PolarHBondContact O-N 3.31Å; F138-D142 HydrophobicContact CB-CB 4.39Å; F138-D142 WeakPolarHBondContact CB-O 3.31Å; F138-L178 HydrophobicContact CD1-CD1 4.06Å; F138-L178 HydrophobicContact CE1-CD1 4.08Å; F138-L178 HydrophobicContact CE1-CD2 4.35Å | ||
| 139 | N | 68.9 | Low | 77.7 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | trans | -62.8 | 159.9 | 173.2 | 66.7 | 56.4 | 0 | 0 | 0 | 110.2 | T141 D142 S143 | N139-T141 PolarHBondContact O-N 2.92Å; N139-T141 WeakPolarHBondContact OD1-CA 3.16Å; N139-T141 PolarHBondContact OD1-N 2.87Å; N139-T141 PolarHBondContact OD1-OG1 3.03Å; N139-D142 PolarHBondContact ND2-OD2 3.25Å; N139-D142 CarbonylContact O-C 3.39Å; N139-D142 WeakPolarHBondContact O-CA 3.36Å; N139-D142 PolarHBondContact O-N 2.74Å; N139-D142 PolarHBondContact OD1-N 3.48Å; N139-D142 PolarHBondContact OD1-OD2 2.94Å; N139-S143 PolarHBondContact O-N 3.15Å | ||
| 140 | A | 61.8 | Low | 78.1 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 69% | 0.694 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -55.2 | -28.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D142 S143 | A140-D142 VanDerWaalsContact C-N 3.34Å; A140-S143 VanDerWaalsContact O-CB 3.29Å; A140-S143 WeakPolarHBondContact O-CB 3.24Å; A140-S143 PolarHBondContact O-OG 3.35Å |
| 141 | T | 65.9 | Low | 78.3 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -80.9 | -16.4 | -180 | 68.3 | 0 | 0 | 0 | 0 | 113.4 | N139 K151 | N139-T141 PolarHBondContact O-N 2.92Å; N139-T141 WeakPolarHBondContact OD1-CA 3.16Å; N139-T141 PolarHBondContact OD1-N 2.87Å; N139-T141 PolarHBondContact OD1-OG1 3.03Å; T141-K151 VanDerWaalsContact C-NZ 3.34Å; T141-K151 VanDerWaalsContact O-CE 3.32Å; T141-K151 WeakPolarHBondContact O-CE 3.5Å; T141-K151 PolarHBondContact O-NZ 3.44Å; T141-K151 VanDerWaalsContact O-NZ 3.07Å; T141-K151 PolarHBondContact OG1-NZ 3.24Å |
| 142 | D | 71.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -110.6 | 24.7 | 173.9 | -60.2 | -39.6 | 0 | 0 | 0 | 110.5 | Y129 F138 N139 A140 T144 R148 K151 | Y129-D142 WeakPolarHBondContact CE1-O 3.41Å; Y129-D142 PolarHBondContact OH-O 3.46Å; F138-D142 HydrophobicContact CB-CB 4.39Å; F138-D142 WeakPolarHBondContact CB-O 3.31Å; N139-D142 PolarHBondContact ND2-OD2 3.25Å; N139-D142 CarbonylContact O-C 3.39Å; N139-D142 WeakPolarHBondContact O-CA 3.36Å; N139-D142 PolarHBondContact O-N 2.74Å; N139-D142 PolarHBondContact OD1-N 3.48Å; N139-D142 PolarHBondContact OD1-OD2 2.94Å; A140-D142 VanDerWaalsContact C-N 3.34Å; D142-T144 PolarHBondContact O-N 3.14Å; D142-R148 VanDerWaalsContact OD1-CD 3.31Å; D142-R148 WeakPolarHBondContact OD1-CD 3.46Å; D142-R148 IonicContact OD1-CZ 3.1Å; D142-R148 IonicContact OD1-NE 3.54Å; D142-R148 IonicContact OD1-NH1 3.4Å; D142-R148 PolarHBondContact OD1-NH1 3.5Å; D142-R148 IonicContact OD2-CZ 3.53Å; D142-R148 IonicContact OD2-NH1 2.65Å; D142-R148 PolarHBondContact OD2-NH1 2.88Å; D142-K151 WeakPolarHBondContact OD1-CD 3.41Å; D142-K151 IonicContact OD1-NZ 3.18Å; D142-K151 PolarHBondContact OD1-NZ 2.97Å; D142-K151 IonicContact OD2-NZ 3.76Å |
| 143 | S | 75.9 | Confident | 79.5 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 42% | 0.42 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -67.1 | -19.4 | -173.3 | 44.1 | 0 | 0 | 0 | 0 | 114.5 | N139 A140 | N139-S143 PolarHBondContact O-N 3.15Å; A140-S143 VanDerWaalsContact O-CB 3.29Å; A140-S143 WeakPolarHBondContact O-CB 3.24Å; A140-S143 PolarHBondContact O-OG 3.35Å |
| 144 | T | 88.5 | Confident | 80.3 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -137.2 | 142.6 | -174.9 | 61.1 | 0 | 0 | 0 | 0 | 110.2 | D142 E146 K147 R148 | D142-T144 PolarHBondContact O-N 3.14Å; T144-E146 WeakPolarHBondContact CB-OE2 3.25Å; T144-E146 PolarHBondContact O-N 3.28Å; T144-E146 VanDerWaalsContact O-N 3.14Å; T144-K147 PolarHBondContact O-N 2.87Å; T144-K147 WeakPolarHBondContact OG1-CB 3.48Å; T144-K147 WeakPolarHBondContact OG1-CD 3.42Å; T144-K147 VanDerWaalsContact OG1-CG 3.28Å; T144-K147 WeakPolarHBondContact OG1-CG 3.2Å; T144-K147 PolarHBondContact OG1-N 3.02Å; T144-R148 PolarHBondContact O-N 3.29Å; T144-R148 VanDerWaalsContact O-N 3.12Å |
| 145 | P | 90.5 | Very high | 81.3 | Confident | 17 Ų | 17 | 63.3 Ų | 63.3 | 11% | 0.11 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -48.1 | -39.7 | 173.8 | -30.2 | 37.4 | 0 | 0 | 0 | 113.9 | V122 L125 T126 Y129 R148 A149 | V122-P145 HydrophobicContact CG1-CB 4.38Å; L125-P145 HydrophobicContact CB-CB 3.91Å; T126-P145 WeakPolarHBondContact OG1-CB 3.24Å; T126-P145 WeakPolarHBondContact OG1-CG 3.31Å; Y129-P145 HydrophobicContact CD1-CG 4.19Å; Y129-P145 HydrophobicContact CG-CG 4.2Å; P145-R148 PolarHBondContact O-N 3.36Å; P145-A149 WeakPolarHBondContact O-CB 3.27Å; P145-A149 PolarHBondContact O-N 3.03Å |
| 146 | E | 94.2 | Very high | 82.6 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 49% | 0.486 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.1 | -47.5 | -177.2 | -60.9 | 76.1 | -168.9 | 0 | 0 | 112.7 | V122 T144 R148 A149 E150 | V122-E146 HydrophobicContact CG1-CG 4.12Å; V122-E146 HydrophobicContact CG2-CG 4.33Å; T144-E146 WeakPolarHBondContact CB-OE2 3.25Å; T144-E146 PolarHBondContact O-N 3.28Å; T144-E146 VanDerWaalsContact O-N 3.14Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 2.75Å; E146-A149 PolarHBondContact O-N 3.28Å; E146-E150 WeakPolarHBondContact O-CB 3.24Å; E146-E150 PolarHBondContact O-N 2.86Å |
| 147 | K | 91.1 | Very high | 84.1 | Confident | 112 Ų | 112 | 59.3 Ų | 59.3 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -35.6 | 175 | -72.1 | 177.6 | -176.3 | 172.1 | 0 | 111.6 | T144 K151 | T144-K147 PolarHBondContact O-N 2.87Å; T144-K147 WeakPolarHBondContact OG1-CB 3.48Å; T144-K147 WeakPolarHBondContact OG1-CD 3.42Å; T144-K147 VanDerWaalsContact OG1-CG 3.28Å; T144-K147 WeakPolarHBondContact OG1-CG 3.2Å; T144-K147 PolarHBondContact OG1-N 3.02Å; K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 2.73Å; K147-K151 VanDerWaalsContact O-N 3.16Å |
| 148 | R | 88.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 9% | 0.094 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.2 | -43.9 | 178.4 | -175.3 | 62.3 | -179.4 | -171.4 | 2.3 | 111.2 | L125 D142 T144 P145 E146 E150 K151 I152 D176 | L125-R148 HydrophobicContact CD1-CB 3.98Å; L125-R148 HydrophobicContact CD1-CG 3.88Å; L125-R148 HydrophobicContact CD2-CG 4.44Å; D142-R148 VanDerWaalsContact OD1-CD 3.31Å; D142-R148 WeakPolarHBondContact OD1-CD 3.46Å; D142-R148 IonicContact OD1-CZ 3.1Å; D142-R148 IonicContact OD1-NE 3.54Å; D142-R148 IonicContact OD1-NH1 3.4Å; D142-R148 PolarHBondContact OD1-NH1 3.5Å; D142-R148 IonicContact OD2-CZ 3.53Å; D142-R148 IonicContact OD2-NH1 2.65Å; D142-R148 PolarHBondContact OD2-NH1 2.88Å; T144-R148 PolarHBondContact O-N 3.29Å; T144-R148 VanDerWaalsContact O-N 3.12Å; P145-R148 PolarHBondContact O-N 3.36Å; E146-R148 VanDerWaalsContact C-N 3.26Å; E146-R148 PolarHBondContact O-N 2.75Å; R148-E150 VanDerWaalsContact C-N 3.32Å; R148-E150 PolarHBondContact O-N 2.85Å; R148-K151 PolarHBondContact O-N 2.74Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 WeakPolarHBondContact O-CG1 3.18Å; R148-I152 PolarHBondContact O-N 2.91Å; R148-D176 IonicContact CZ-OD1 2.7Å; R148-D176 IonicContact CZ-OD2 3.63Å; R148-D176 IonicContact NE-OD2 3.74Å; R148-D176 IonicContact NH2-OD1 2.86Å; R148-D176 PolarHBondContact NH2-OD1 2.98Å; R148-D176 IonicContact NH2-OD2 2.63Å; R148-D176 PolarHBondContact NH2-OD2 3.35Å |
| 149 | A | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | K118 L121 V122 L125 P145 E146 K151 I152 F153 | K118-A149 HydrophobicContact CG-CB 4.35Å; L121-A149 HydrophobicContact CB-CB 4.27Å; L121-A149 HydrophobicContact CD2-CB 3.89Å; L121-A149 HydrophobicContact CG-CB 3.98Å; V122-A149 HydrophobicContact CG2-CB 3.47Å; V122-A149 VanDerWaalsContact CG2-CB 3.47Å; L125-A149 HydrophobicContact CD1-CB 4.14Å; P145-A149 WeakPolarHBondContact O-CB 3.27Å; P145-A149 PolarHBondContact O-N 3.03Å; E146-A149 PolarHBondContact O-N 3.28Å; A149-K151 PolarHBondContact O-N 3.24Å; A149-I152 PolarHBondContact O-N 3.32Å; A149-F153 WeakPolarHBondContact O-CD2 3.34Å; A149-F153 PolarHBondContact O-N 2.8Å |
| 150 | E | 92.6 | Very high | 87.9 | Confident | 70 Ų | 70 | 65 Ų | 65 | 33% | 0.327 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55 | -48.5 | 175.1 | 177.9 | 62.3 | -157.2 | 0 | 0 | 112.5 | K118 E146 R148 I152 F153 Q154 | K118-E150 VanDerWaalsContact CE-OE2 3.23Å; K118-E150 WeakPolarHBondContact CE-OE2 3.38Å; K118-E150 IonicContact NZ-OE2 3.19Å; K118-E150 PolarHBondContact NZ-OE2 3.24Å; E146-E150 WeakPolarHBondContact O-CB 3.24Å; E146-E150 PolarHBondContact O-N 2.86Å; R148-E150 VanDerWaalsContact C-N 3.32Å; R148-E150 PolarHBondContact O-N 2.85Å; E150-I152 PolarHBondContact O-N 2.89Å; E150-F153 PolarHBondContact O-N 3.18Å; E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.28Å; E150-Q154 PolarHBondContact O-N 3.4Å; E150-Q154 PolarHBondContact OE1-NE2 2.83Å |
| 151 | K | 89.6 | Confident | 89.6 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 179.1 | -73.1 | 174 | 173.7 | -172.8 | 0 | 113.1 | T141 D142 K147 R148 A149 F153 Q154 L155 | T141-K151 VanDerWaalsContact C-NZ 3.34Å; T141-K151 VanDerWaalsContact O-CE 3.32Å; T141-K151 WeakPolarHBondContact O-CE 3.5Å; T141-K151 PolarHBondContact O-NZ 3.44Å; T141-K151 VanDerWaalsContact O-NZ 3.07Å; T141-K151 PolarHBondContact OG1-NZ 3.24Å; D142-K151 WeakPolarHBondContact OD1-CD 3.41Å; D142-K151 IonicContact OD1-NZ 3.18Å; D142-K151 PolarHBondContact OD1-NZ 2.97Å; D142-K151 IonicContact OD2-NZ 3.76Å; K147-K151 WeakPolarHBondContact O-CG 3.38Å; K147-K151 PolarHBondContact O-N 2.73Å; K147-K151 VanDerWaalsContact O-N 3.16Å; R148-K151 PolarHBondContact O-N 2.74Å; A149-K151 PolarHBondContact O-N 3.24Å; K151-F153 VanDerWaalsContact C-N 3.34Å; K151-Q154 PolarHBondContact O-N 2.91Å; K151-L155 WeakPolarHBondContact O-CB 2.87Å; K151-L155 PolarHBondContact O-N 2.99Å; K151-L155 VanDerWaalsContact O-N 3.07Å |
| 152 | I | 91 | Very high | 91 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.5 | -73.3 | 166.6 | 0 | 0 | 0 | 109.1 | L121 L125 R148 A149 E150 Q154 L155 M156 L164 L179 | L121-I152 HydrophobicContact CD1-CD1 4.3Å; L121-I152 HydrophobicContact CD2-CB 3.69Å; L121-I152 HydrophobicContact CD2-CD1 3.92Å; L121-I152 HydrophobicContact CD2-CG1 4.42Å; L121-I152 HydrophobicContact CD2-CG2 3.46Å; L121-I152 VanDerWaalsContact CD2-CG2 3.46Å; L121-I152 HydrophobicContact CG-CD1 4.47Å; L125-I152 HydrophobicContact CD1-CD1 4.21Å; R148-I152 HydrophobicContact CG-CD1 3.97Å; R148-I152 WeakPolarHBondContact O-CG1 3.18Å; R148-I152 PolarHBondContact O-N 2.91Å; A149-I152 PolarHBondContact O-N 3.32Å; E150-I152 PolarHBondContact O-N 2.89Å; I152-Q154 PolarHBondContact O-N 3.02Å; I152-L155 PolarHBondContact O-N 3.05Å; I152-L155 VanDerWaalsContact O-N 3.11Å; I152-M156 HydrophobicContact CG2-CE 3.97Å; I152-M156 HydrophobicContact CG2-CG 4.12Å; I152-M156 HydrophobicContact CG2-SD 3.7Å; I152-M156 WeakPolarHBondContact O-CB 3.29Å; I152-M156 VanDerWaalsContact O-CG 3.28Å; I152-M156 WeakPolarHBondContact O-CG 3.33Å; I152-M156 PolarHBondContact O-N 3.09Å; I152-L164 HydrophobicContact CG2-CD1 4.2Å; I152-L179 HydrophobicContact CD1-CD2 4.29Å |
| 153 | F | 93.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 70.1 Ų | 70.1 | 6% | 0.057 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 175.4 | -92.9 | -101.5 | 0 | 0 | 0 | 112.2 | I116 K118 L121 A149 E150 K151 L155 M156 D157 N162 L164 | I116-F153 WeakPolarHBondContact O-CZ 3.25Å; K118-F153 VanDerWaalsContact CA-CZ 3.5Å; K118-F153 HydrophobicContact CB-CD2 4.22Å; K118-F153 HydrophobicContact CB-CE1 4.28Å; K118-F153 HydrophobicContact CB-CE2 3.9Å; K118-F153 HydrophobicContact CB-CZ 3.94Å; K118-F153 HydrophobicContact CG-CD2 4.25Å; K118-F153 HydrophobicContact CG-CE2 4.34Å; L121-F153 HydrophobicContact CB-CE2 4.25Å; L121-F153 HydrophobicContact CD2-CD2 3.86Å; L121-F153 HydrophobicContact CD2-CE2 3.79Å; A149-F153 WeakPolarHBondContact O-CD2 3.34Å; A149-F153 PolarHBondContact O-N 2.8Å; E150-F153 PolarHBondContact O-N 3.18Å; K151-F153 VanDerWaalsContact C-N 3.34Å; F153-L155 PolarHBondContact O-N 2.96Å; F153-L155 VanDerWaalsContact O-N 3.07Å; F153-M156 PolarHBondContact O-N 3.42Å; F153-D157 HydrophobicContact CD1-CB 4.17Å; F153-D157 WeakPolarHBondContact O-CB 3.05Å; F153-D157 PolarHBondContact O-N 2.77Å; F153-N162 WeakPolarHBondContact CE1-O 3.48Å; F153-L164 HydrophobicContact CD1-CD2 4.5Å; F153-L164 HydrophobicContact CD2-CD1 4.45Å; F153-L164 HydrophobicContact CE1-CD2 4.4Å; F153-L164 HydrophobicContact CE1-CG 4.11Å; F153-L164 HydrophobicContact CE2-CD1 4.06Å; F153-L164 HydrophobicContact CE2-CG 4.18Å; F153-L164 HydrophobicContact CZ-CD1 4.25Å; F153-L164 HydrophobicContact CZ-CG 3.87Å |
| 154 | Q | 92 | Very high | 93.2 | Very high | 140 Ų | 140 | 67.4 Ų | 67.4 | 65% | 0.654 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58 | -26.4 | 176.5 | -72 | 175.7 | 5.3 | 0 | 0 | 113.9 | E150 K151 I152 | E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.28Å; E150-Q154 PolarHBondContact O-N 3.4Å; E150-Q154 PolarHBondContact OE1-NE2 2.83Å; K151-Q154 PolarHBondContact O-N 2.91Å; I152-Q154 PolarHBondContact O-N 3.02Å |
| 155 | L | 90.5 | Very high | 93.6 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -89.8 | -38.6 | -180 | -178.9 | 65.8 | 0 | 0 | 0 | 112.9 | K151 I152 F153 C175 D176 | K151-L155 WeakPolarHBondContact O-CB 2.87Å; K151-L155 PolarHBondContact O-N 2.99Å; K151-L155 VanDerWaalsContact O-N 3.07Å; I152-L155 PolarHBondContact O-N 3.05Å; I152-L155 VanDerWaalsContact O-N 3.11Å; F153-L155 PolarHBondContact O-N 2.96Å; F153-L155 VanDerWaalsContact O-N 3.07Å; L155-C175 HydrophobicContact CD2-CB 4.4Å; L155-D176 HydrophobicContact CD2-CB 4.43Å |
| 156 | M | 93.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -107.6 | -26.8 | -165.3 | -55 | -165.9 | -175.1 | 0 | 0 | 114 | I152 F153 L158 L164 E168 G172 D176 L179 | I152-M156 HydrophobicContact CG2-CE 3.97Å; I152-M156 HydrophobicContact CG2-CG 4.12Å; I152-M156 HydrophobicContact CG2-SD 3.7Å; I152-M156 WeakPolarHBondContact O-CB 3.29Å; I152-M156 VanDerWaalsContact O-CG 3.28Å; I152-M156 WeakPolarHBondContact O-CG 3.33Å; I152-M156 PolarHBondContact O-N 3.09Å; F153-M156 PolarHBondContact O-N 3.42Å; M156-L158 PolarHBondContact O-N 2.82Å; M156-L158 VanDerWaalsContact O-N 3.07Å; M156-L164 HydrophobicContact CB-CD1 4.23Å; M156-L164 HydrophobicContact CB-CD2 3.73Å; M156-E168 WeakPolarHBondContact O-CB 3.41Å; M156-E168 WeakPolarHBondContact O-CG 2.85Å; M156-G172 WeakPolarHBondContact CE-O 3.39Å; M156-G172 VanDerWaalsContact SD-C 3.55Å; M156-G172 VanDerWaalsContact SD-CA 3.52Å; M156-D176 HydrophobicContact CE-CB 3.66Å; M156-L179 HydrophobicContact CE-CD2 3.65Å; M156-L179 HydrophobicContact SD-CD2 4.29Å |
| 157 | D | 96 | Very high | 94 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | trans | -78.1 | 89 | 176.5 | -178.5 | -0.1 | 0 | 0 | 0 | 108.5 | F153 R160 D161 N162 L164 | F153-D157 HydrophobicContact CD1-CB 4.17Å; F153-D157 WeakPolarHBondContact O-CB 3.05Å; F153-D157 PolarHBondContact O-N 2.77Å; D157-R160 WeakPolarHBondContact OD1-CA 3.49Å; D157-R160 PolarHBondContact OD1-N 3.19Å; D157-D161 PolarHBondContact OD1-N 3.31Å; D157-N162 VanDerWaalsContact OD2-CA 3.23Å; D157-N162 WeakPolarHBondContact OD2-CA 2.92Å; D157-N162 PolarHBondContact OD2-N 2.94Å; D157-L164 HydrophobicContact CB-CD2 3.74Å | ||
| 158 | L | 94.4 | Very high | 94.2 | Very high | 127 Ų | 127 | 63.5 Ų | 63.5 | 67% | 0.665 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -81.3 | -34.3 | -169.7 | -64 | -178.1 | 0 | 0 | 0 | 111.3 | M156 E168 | M156-L158 PolarHBondContact O-N 2.82Å; M156-L158 VanDerWaalsContact O-N 3.07Å; L158-E168 HydrophobicContact CB-CG 4.49Å; L158-E168 HydrophobicContact CG-CG 4.39Å; L158-E168 PolarHBondContact N-OE1 3.34Å |
| 159 | D | 96.3 | Very high | 94.5 | Very high | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -90.3 | -10.1 | 178.8 | 76.4 | 8.4 | 0 | 0 | 0 | 113.8 | D161 E168 | D159-D161 VanDerWaalsContact C-N 3.34Å; D159-D161 VanDerWaalsContact OD1-CB 3.29Å; D159-D161 WeakPolarHBondContact OD1-CB 3.35Å; D159-D161 PolarHBondContact OD1-N 2.97Å; D159-E168 PolarHBondContact N-OE1 3.24Å |
| 160 | R | 94.8 | Very high | 94.4 | Very high | 209 Ų | 209 | 63.1 Ų | 63.1 | 79% | 0.789 | 30% | 0.304 | S | S | * | . | trans | 65.5 | 33.7 | 177.3 | -55.2 | -177.4 | 177.4 | 176.8 | -0.8 | 113.3 | D157 N162 | D157-R160 WeakPolarHBondContact OD1-CA 3.49Å; D157-R160 PolarHBondContact OD1-N 3.19Å; R160-N162 PolarHBondContact O-N 2.91Å | ||
| 161 | D | 97.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -83.5 | 1.8 | 175 | 81.2 | -2.7 | 0 | 0 | 0 | 113.5 | D157 D159 R163 | D157-D161 PolarHBondContact OD1-N 3.31Å; D159-D161 VanDerWaalsContact C-N 3.34Å; D159-D161 VanDerWaalsContact OD1-CB 3.29Å; D159-D161 WeakPolarHBondContact OD1-CB 3.35Å; D159-D161 PolarHBondContact OD1-N 2.97Å; D161-R163 VanDerWaalsContact C-N 3.32Å; D161-R163 WeakPolarHBondContact OD1-CG 3.22Å; D161-R163 PolarHBondContact OD1-N 3.22Å; D161-R163 VanDerWaalsContact OD1-N 3.12Å; D161-R163 IonicContact OD1-NE 2.7Å; D161-R163 IonicContact OD2-CZ 2.54Å; D161-R163 IonicContact OD2-NE 2.85Å; D161-R163 PolarHBondContact OD2-NE 3.38Å; D161-R163 IonicContact OD2-NH2 3.2Å; D161-R163 PolarHBondContact OD2-NH2 2.87Å |
| 162 | N | 95.5 | Very high | 94.3 | Very high | 124 Ų | 124 | 61 Ų | 61 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 67.8 | 24.5 | 179.1 | -53.8 | -86.1 | 0 | 0 | 0 | 114.5 | F153 D157 R160 | F153-N162 WeakPolarHBondContact CE1-O 3.48Å; D157-N162 VanDerWaalsContact OD2-CA 3.23Å; D157-N162 WeakPolarHBondContact OD2-CA 2.92Å; D157-N162 PolarHBondContact OD2-N 2.94Å; R160-N162 PolarHBondContact O-N 2.91Å |
| 163 | R | 97.7 | Very high | 94.1 | Very high | 103 Ų | 103 | 61 Ų | 61 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.1 | 170.1 | 56.3 | -179.4 | -176.6 | -158.6 | -7.7 | 108.5 | Y115 I116 D161 | Y115-R163 HydrophobicContact CD1-CB 4.44Å; Y115-R163 HydrophobicContact CD1-CG 3.87Å; Y115-R163 HydrophobicContact CG-CB 4.46Å; Y115-R163 HydrophobicContact CG-CG 4.19Å; I116-R163 WeakPolarHBondContact O-CA 3.24Å; D161-R163 VanDerWaalsContact C-N 3.32Å; D161-R163 WeakPolarHBondContact OD1-CG 3.22Å; D161-R163 PolarHBondContact OD1-N 3.22Å; D161-R163 VanDerWaalsContact OD1-N 3.12Å; D161-R163 IonicContact OD1-NE 2.7Å; D161-R163 IonicContact OD2-CZ 2.54Å; D161-R163 IonicContact OD2-NE 2.85Å; D161-R163 PolarHBondContact OD2-NE 3.38Å; D161-R163 IonicContact OD2-NH2 3.2Å; D161-R163 PolarHBondContact OD2-NH2 2.87Å |
| 164 | L | 97 | Very high | 93.5 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.7 | 178.4 | -57.2 | 177 | 0 | 0 | 0 | 109.4 | Y115 I116 I152 F153 M156 D157 | Y115-L164 WeakPolarHBondContact CA-O 3.43Å; I116-L164 HydrophobicContact CB-CB 4.22Å; I116-L164 PolarHBondContact N-O 2.99Å; I116-L164 PolarHBondContact O-N 3.37Å; I152-L164 HydrophobicContact CG2-CD1 4.2Å; F153-L164 HydrophobicContact CD1-CD2 4.5Å; F153-L164 HydrophobicContact CD2-CD1 4.45Å; F153-L164 HydrophobicContact CE1-CD2 4.4Å; F153-L164 HydrophobicContact CE1-CG 4.11Å; F153-L164 HydrophobicContact CE2-CD1 4.06Å; F153-L164 HydrophobicContact CE2-CG 4.18Å; F153-L164 HydrophobicContact CZ-CD1 4.25Å; F153-L164 HydrophobicContact CZ-CG 3.87Å; M156-L164 HydrophobicContact CB-CD1 4.23Å; M156-L164 HydrophobicContact CB-CD2 3.73Å; D157-L164 HydrophobicContact CB-CD2 3.74Å |
| 165 | S | 97.7 | Very high | 93 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | trans | -69.1 | 164.2 | 166.3 | 65.4 | 0 | 0 | 0 | 0 | 111.3 | D167 E168 F169 | S165-D167 VanDerWaalsContact C-N 3.26Å; S165-D167 PolarHBondContact O-N 3.27Å; S165-E168 WeakPolarHBondContact CB-OE2 3.05Å; S165-E168 PolarHBondContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 2.91Å; S165-E168 WeakPolarHBondContact OG-CB 3.32Å; S165-E168 WeakPolarHBondContact OG-CG 3.41Å; S165-E168 PolarHBondContact OG-N 2.74Å; S165-E168 PolarHBondContact OG-OE2 3.43Å; S165-F169 WeakPolarHBondContact O-CB 3.45Å; S165-F169 PolarHBondContact O-N 3.08Å | ||
| 166 | L | 95.8 | Very high | 92.5 | Very high | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.2 | -39.2 | 176.2 | 179.1 | 59.2 | 0 | 0 | 0 | 112.9 | R102 F105 I170 | R102-L166 HydrophobicContact CG-CD1 4.2Å; R102-L166 HydrophobicContact CG-CD2 4.28Å; F105-L166 HydrophobicContact CB-CD1 3.57Å; F105-L166 HydrophobicContact CD1-CD1 4.02Å; F105-L166 HydrophobicContact CD2-CB 4.32Å; F105-L166 HydrophobicContact CD2-CD1 3.75Å; F105-L166 HydrophobicContact CE2-CB 4.19Å; F105-L166 HydrophobicContact CE2-CD1 4.44Å; F105-L166 HydrophobicContact CG-CD1 3.49Å; F105-L166 VanDerWaalsContact CG-CD1 3.49Å; F105-L166 HydrophobicContact CZ-CB 4.28Å; L166-I170 HydrophobicContact CD1-CD1 3.77Å; L166-I170 HydrophobicContact CD1-CG1 4.09Å; L166-I170 HydrophobicContact CG-CD1 3.88Å; L166-I170 WeakPolarHBondContact O-CB 3.45Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.06Å; L166-I170 PolarHBondContact O-N 2.92Å |
| 167 | D | 95.8 | Very high | 91.5 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.5 | -41.6 | -179.7 | -73.3 | -25.9 | 0 | 0 | 0 | 111.4 | S165 I170 N171 | S165-D167 VanDerWaalsContact C-N 3.26Å; S165-D167 PolarHBondContact O-N 3.27Å; D167-I170 PolarHBondContact O-N 3.4Å; D167-N171 VanDerWaalsContact O-CB 3.3Å; D167-N171 WeakPolarHBondContact O-CB 3.34Å; D167-N171 PolarHBondContact O-N 2.86Å; D167-N171 PolarHBondContact O-ND2 2.94Å |
| 168 | E | 96.2 | Very high | 90.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 173.2 | -77.2 | 170 | 134.8 | 0 | 0 | 111.9 | M156 L158 D159 S165 N171 G172 | M156-E168 WeakPolarHBondContact O-CB 3.41Å; M156-E168 WeakPolarHBondContact O-CG 2.85Å; L158-E168 HydrophobicContact CB-CG 4.49Å; L158-E168 HydrophobicContact CG-CG 4.39Å; L158-E168 PolarHBondContact N-OE1 3.34Å; D159-E168 PolarHBondContact N-OE1 3.24Å; S165-E168 WeakPolarHBondContact CB-OE2 3.05Å; S165-E168 PolarHBondContact N-OE2 3.11Å; S165-E168 PolarHBondContact O-N 2.91Å; S165-E168 WeakPolarHBondContact OG-CB 3.32Å; S165-E168 WeakPolarHBondContact OG-CG 3.41Å; S165-E168 PolarHBondContact OG-N 2.74Å; S165-E168 PolarHBondContact OG-OE2 3.43Å; E168-N171 PolarHBondContact O-N 2.91Å; E168-G172 WeakPolarHBondContact O-CA 3.3Å; E168-G172 PolarHBondContact O-N 3.19Å |
| 169 | F | 93.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.6 | 179.2 | -100 | 0 | 0 | 0 | 111.7 | A104 F105 Y108 I116 S165 N171 G172 V173 L179 L183 | A104-F169 HydrophobicContact CB-CE1 4.17Å; A104-F169 HydrophobicContact CB-CZ 4.25Å; F105-F169 HydrophobicContact CB-CD1 4.03Å; F105-F169 HydrophobicContact CB-CE1 4.13Å; F105-F169 HydrophobicContact CD2-CB 3.76Å; F105-F169 AromaticContact CD2-CD1 3.84Å; F105-F169 HydrophobicContact CD2-CD1 3.84Å; F105-F169 AromaticContact CD2-CG 3.8Å; F105-F169 HydrophobicContact CD2-CG 3.8Å; F105-F169 HydrophobicContact CE2-CB 4.1Å; F105-F169 HydrophobicContact CG-CD1 4.46Å; Y108-F169 HydrophobicContact CD1-CE2 4.44Å; I116-F169 HydrophobicContact CD1-CB 4.45Å; I116-F169 HydrophobicContact CD1-CD2 3.54Å; I116-F169 HydrophobicContact CD1-CE2 3.86Å; I116-F169 HydrophobicContact CD1-CG 4.01Å; S165-F169 WeakPolarHBondContact O-CB 3.45Å; S165-F169 PolarHBondContact O-N 3.08Å; F169-N171 VanDerWaalsContact C-N 3.32Å; F169-N171 PolarHBondContact O-N 3.32Å; F169-G172 PolarHBondContact O-N 3Å; F169-V173 HydrophobicContact CD1-CG2 4.16Å; F169-V173 HydrophobicContact CD2-CG2 3.99Å; F169-V173 HydrophobicContact CE1-CG2 3.91Å; F169-V173 HydrophobicContact CE2-CG2 3.73Å; F169-V173 HydrophobicContact CG-CG2 4.21Å; F169-V173 HydrophobicContact CZ-CG2 3.7Å; F169-V173 WeakPolarHBondContact O-CB 3.36Å; F169-V173 WeakPolarHBondContact O-CG2 3.36Å; F169-V173 PolarHBondContact O-N 3.06Å; F169-L179 HydrophobicContact CE2-CD2 4.41Å; F169-L183 HydrophobicContact CE1-CD1 4.36Å; F169-L183 HydrophobicContact CZ-CD1 3.76Å |
| 170 | I | 90.9 | Very high | 88.8 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.077 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | -179.8 | -74.1 | 172.1 | 0 | 0 | 0 | 111.4 | L101 R102 L166 D167 K174 | L101-I170 HydrophobicContact CB-CG1 4.04Å; L101-I170 HydrophobicContact CD1-CG1 4.46Å; L101-I170 HydrophobicContact CD1-CG2 4.16Å; R102-I170 HydrophobicContact CG-CD1 4.22Å; L166-I170 HydrophobicContact CD1-CD1 3.77Å; L166-I170 HydrophobicContact CD1-CG1 4.09Å; L166-I170 HydrophobicContact CG-CD1 3.88Å; L166-I170 WeakPolarHBondContact O-CB 3.45Å; L166-I170 VanDerWaalsContact O-CG1 3.24Å; L166-I170 WeakPolarHBondContact O-CG1 3.06Å; L166-I170 PolarHBondContact O-N 2.92Å; D167-I170 PolarHBondContact O-N 3.4Å; I170-K174 WeakPolarHBondContact O-CE 3.2Å; I170-K174 WeakPolarHBondContact O-CG 3.35Å |
| 171 | N | 90.4 | Very high | 87.7 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 179.4 | -70.4 | -32.5 | 0 | 0 | 0 | 111.3 | D167 E168 F169 K174 | D167-N171 VanDerWaalsContact O-CB 3.3Å; D167-N171 WeakPolarHBondContact O-CB 3.34Å; D167-N171 PolarHBondContact O-N 2.86Å; D167-N171 PolarHBondContact O-ND2 2.94Å; E168-N171 PolarHBondContact O-N 2.91Å; F169-N171 VanDerWaalsContact C-N 3.32Å; F169-N171 PolarHBondContact O-N 3.32Å; N171-K174 PolarHBondContact O-N 3.32Å |
| 172 | G | 89.1 | Confident | 86.3 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | M156 E168 F169 K174 C175 D176 | M156-G172 WeakPolarHBondContact CE-O 3.39Å; M156-G172 VanDerWaalsContact SD-C 3.55Å; M156-G172 VanDerWaalsContact SD-CA 3.52Å; E168-G172 WeakPolarHBondContact O-CA 3.3Å; E168-G172 PolarHBondContact O-N 3.19Å; F169-G172 PolarHBondContact O-N 3Å; G172-K174 PolarHBondContact O-N 3.26Å; G172-C175 WeakPolarHBondContact O-CA 3.42Å; G172-C175 WeakPolarHBondContact O-CB 3.25Å; G172-C175 PolarHBondContact O-N 3.22Å; G172-D176 PolarHBondContact O-N 3.11Å; G172-D176 VanDerWaalsContact O-N 3.12Å |
| 173 | V | 86.8 | Confident | 85 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.6 | -35 | 177.9 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L101 F169 C175 D176 L179 M180 L183 | L101-V173 HydrophobicContact CD2-CB 4.24Å; L101-V173 HydrophobicContact CD2-CG1 3.64Å; F169-V173 HydrophobicContact CD1-CG2 4.16Å; F169-V173 HydrophobicContact CD2-CG2 3.99Å; F169-V173 HydrophobicContact CE1-CG2 3.91Å; F169-V173 HydrophobicContact CE2-CG2 3.73Å; F169-V173 HydrophobicContact CG-CG2 4.21Å; F169-V173 HydrophobicContact CZ-CG2 3.7Å; F169-V173 WeakPolarHBondContact O-CB 3.36Å; F169-V173 WeakPolarHBondContact O-CG2 3.36Å; F169-V173 PolarHBondContact O-N 3.06Å; V173-C175 PolarHBondContact O-N 3.42Å; V173-D176 PolarHBondContact O-N 3.2Å; V173-L179 HydrophobicContact CG2-CD2 3.64Å; V173-L179 HydrophobicContact CG2-CG 4.15Å; V173-M180 HydrophobicContact CG1-CB 4.18Å; V173-M180 HydrophobicContact CG1-SD 3.6Å; V173-L183 HydrophobicContact CB-CD1 4.4Å; V173-L183 HydrophobicContact CG1-CD1 3.67Å; V173-L183 HydrophobicContact CG2-CD1 3.73Å |
| 174 | K | 82.1 | Confident | 83.3 | Confident | 106 Ų | 106 | 48.5 Ų | 48.5 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.1 | -24.5 | 176.5 | -65.2 | 168.7 | -172.8 | 169.2 | 0 | 112.7 | I170 N171 G172 | I170-K174 WeakPolarHBondContact O-CE 3.2Å; I170-K174 WeakPolarHBondContact O-CG 3.35Å; N171-K174 PolarHBondContact O-N 3.32Å; G172-K174 PolarHBondContact O-N 3.26Å |
| 175 | C | 80.5 | Confident | 81.4 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 59% | 0.588 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -92 | -16.4 | 177.6 | -62.7 | 0 | 0 | 0 | 0 | 113 | L155 G172 V173 | L155-C175 HydrophobicContact CD2-CB 4.4Å; G172-C175 WeakPolarHBondContact O-CA 3.42Å; G172-C175 WeakPolarHBondContact O-CB 3.25Å; G172-C175 PolarHBondContact O-N 3.22Å; V173-C175 PolarHBondContact O-N 3.42Å |
| 176 | D | 79.8 | Confident | 79 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | trans | -105.6 | 97.2 | 178.4 | -171.9 | -29.9 | 0 | 0 | 0 | 111.5 | R148 L155 M156 G172 V173 L178 L179 M180 | R148-D176 IonicContact CZ-OD1 2.7Å; R148-D176 IonicContact CZ-OD2 3.63Å; R148-D176 IonicContact NE-OD2 3.74Å; R148-D176 IonicContact NH2-OD1 2.86Å; R148-D176 PolarHBondContact NH2-OD1 2.98Å; R148-D176 IonicContact NH2-OD2 2.63Å; R148-D176 PolarHBondContact NH2-OD2 3.35Å; L155-D176 HydrophobicContact CD2-CB 4.43Å; M156-D176 HydrophobicContact CE-CB 3.66Å; G172-D176 PolarHBondContact O-N 3.11Å; G172-D176 VanDerWaalsContact O-N 3.12Å; V173-D176 PolarHBondContact O-N 3.2Å; D176-L178 PolarHBondContact O-N 2.82Å; D176-L178 PolarHBondContact OD1-N 3.49Å; D176-L179 HydrophobicContact CB-CB 3.87Å; D176-L179 VanDerWaalsContact CG-CB 3.48Å; D176-L179 PolarHBondContact O-N 3.02Å; D176-L179 PolarHBondContact OD1-N 3.24Å; D176-M180 VanDerWaalsContact O-CB 3.26Å; D176-M180 WeakPolarHBondContact O-CB 3.15Å; D176-M180 PolarHBondContact O-N 3.02Å | ||
| 177 | K | 74.7 | Confident | 76.3 | Confident | 192 Ų | 192 | 47.9 Ų | 47.9 | 84% | 0.835 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -57.9 | -34 | 179.7 | -67.9 | -175.1 | -179.8 | -179.2 | 0 | 113.7 | R181 | K177-R181 VanDerWaalsContact O-CB 3.27Å; K177-R181 WeakPolarHBondContact O-CB 2.96Å; K177-R181 PolarHBondContact O-N 3.23Å |
| 178 | L | 71.7 | Confident | 73.4 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.2 | -43.8 | -176.8 | -179.5 | 146.9 | 0 | 0 | 0 | 110 | F138 D176 M180 R181 L182 | F138-L178 HydrophobicContact CD1-CD1 4.06Å; F138-L178 HydrophobicContact CE1-CD1 4.08Å; F138-L178 HydrophobicContact CE1-CD2 4.35Å; D176-L178 PolarHBondContact O-N 2.82Å; D176-L178 PolarHBondContact OD1-N 3.49Å; L178-M180 VanDerWaalsContact C-N 3.32Å; L178-M180 PolarHBondContact O-N 3.09Å; L178-R181 PolarHBondContact O-N 3.48Å; L178-L182 HydrophobicContact CD2-CD1 3.48Å; L178-L182 VanDerWaalsContact CD2-CD1 3.48Å; L178-L182 HydrophobicContact CD2-CG 4.11Å; L178-L182 HydrophobicContact CG-CD1 4.43Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.03Å |
| 179 | L | 77 | Confident | 70.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 174 | -172 | 61.3 | 0 | 0 | 0 | 110.4 | Y108 I152 M156 F169 V173 D176 R181 L182 L183 | Y108-L179 HydrophobicContact CE1-CD1 4.04Å; I152-L179 HydrophobicContact CD1-CD2 4.29Å; M156-L179 HydrophobicContact CE-CD2 3.65Å; M156-L179 HydrophobicContact SD-CD2 4.29Å; F169-L179 HydrophobicContact CE2-CD2 4.41Å; V173-L179 HydrophobicContact CG2-CD2 3.64Å; V173-L179 HydrophobicContact CG2-CG 4.15Å; D176-L179 HydrophobicContact CB-CB 3.87Å; D176-L179 VanDerWaalsContact CG-CB 3.48Å; D176-L179 PolarHBondContact O-N 3.02Å; D176-L179 PolarHBondContact OD1-N 3.24Å; L179-R181 VanDerWaalsContact C-N 3.31Å; L179-R181 PolarHBondContact O-N 3.19Å; L179-L182 PolarHBondContact O-N 3.36Å; L179-L183 HydrophobicContact CD1-CG 4.48Å; L179-L183 HydrophobicContact CG-CD1 4.11Å; L179-L183 HydrophobicContact CG-CG 4.45Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 VanDerWaalsContact O-CG 3.24Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 2.72Å |
| 180 | M | 80 | Confident | 67.5 | Low | 37 Ų | 37 | 53 Ų | 53 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 173.3 | -172.4 | 65.7 | 178.1 | 0 | 0 | 111.6 | L97 V173 D176 L178 L183 T184 | L97-M180 HydrophobicContact CD1-CE 3.43Å; L97-M180 VanDerWaalsContact CD1-CE 3.43Å; L97-M180 HydrophobicContact CD1-SD 4.46Å; L97-M180 HydrophobicContact CD2-CE 4.12Å; L97-M180 HydrophobicContact CG-CE 4.43Å; V173-M180 HydrophobicContact CG1-CB 4.18Å; V173-M180 HydrophobicContact CG1-SD 3.6Å; D176-M180 VanDerWaalsContact O-CB 3.26Å; D176-M180 WeakPolarHBondContact O-CB 3.15Å; D176-M180 PolarHBondContact O-N 3.02Å; L178-M180 VanDerWaalsContact C-N 3.32Å; L178-M180 PolarHBondContact O-N 3.09Å; M180-L183 PolarHBondContact O-N 3.36Å; M180-T184 HydrophobicContact CE-CG2 4.31Å; M180-T184 WeakPolarHBondContact O-CG2 3.42Å; M180-T184 PolarHBondContact O-N 3.28Å; M180-T184 PolarHBondContact O-OG1 2.96Å; M180-T184 VanDerWaalsContact O-OG1 3.13Å |
| 181 | R | 72.6 | Confident | 64.8 | Low | 160 Ų | 160 | 60.3 Ų | 60.3 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 176.5 | -168.6 | -175.4 | 175.4 | 166.7 | 0.3 | 111.8 | K177 L178 L179 L183 T184 F185 | K177-R181 VanDerWaalsContact O-CB 3.27Å; K177-R181 WeakPolarHBondContact O-CB 2.96Å; K177-R181 PolarHBondContact O-N 3.23Å; L178-R181 PolarHBondContact O-N 3.48Å; L179-R181 VanDerWaalsContact C-N 3.31Å; L179-R181 PolarHBondContact O-N 3.19Å; R181-L183 VanDerWaalsContact C-N 3.34Å; R181-L183 PolarHBondContact O-N 3.34Å; R181-T184 WeakPolarHBondContact CA-OG1 3.01Å; R181-T184 CarbonylContact O-C 3.48Å; R181-T184 PolarHBondContact O-N 3.41Å; R181-T184 PolarHBondContact O-OG1 3.08Å; R181-T184 VanDerWaalsContact O-OG1 3.09Å; R181-F185 HydrophobicContact CG-CD2 3.9Å; R181-F185 HydrophobicContact CG-CE2 3.57Å; R181-F185 HydrophobicContact CG-CZ 4.41Å; R181-F185 WeakPolarHBondContact O-CD2 3.37Å; R181-F185 PolarHBondContact O-N 3.07Å |
| 182 | L | 67.6 | Low | 62.1 | Low | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.2 | -71.2 | 177.9 | 0 | 0 | 0 | 112.5 | L125 I128 V132 L178 L179 F185 | L125-L182 HydrophobicContact CD2-CD1 4.46Å; I128-L182 HydrophobicContact CD1-CD1 4.4Å; I128-L182 HydrophobicContact CG2-CD1 3.81Å; I128-L182 HydrophobicContact CG2-CD2 3.48Å; I128-L182 VanDerWaalsContact CG2-CD2 3.48Å; I128-L182 HydrophobicContact CG2-CG 4.16Å; V132-L182 HydrophobicContact CG1-CD2 4.38Å; L178-L182 HydrophobicContact CD2-CD1 3.48Å; L178-L182 VanDerWaalsContact CD2-CD1 3.48Å; L178-L182 HydrophobicContact CD2-CG 4.11Å; L178-L182 HydrophobicContact CG-CD1 4.43Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 VanDerWaalsContact O-CG 3.29Å; L178-L182 WeakPolarHBondContact O-CG 3.37Å; L178-L182 PolarHBondContact O-N 3.03Å; L179-L182 PolarHBondContact O-N 3.36Å; L182-F185 HydrophobicContact CD2-CD2 3.95Å; L182-F185 HydrophobicContact CD2-CE2 4.24Å; L182-F185 WeakPolarHBondContact O-CB 3.4Å; L182-F185 PolarHBondContact O-N 2.91Å |
| 183 | L | 67.2 | Low | 59.3 | Low | 24 Ų | 24 | 71.4 Ų | 71.4 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.8 | -32.6 | 176.2 | -68 | 175.9 | 0 | 0 | 0 | 112.2 | L101 A104 Y108 F169 V173 L179 M180 R181 | L101-L183 HydrophobicContact CD2-CD1 4.21Å; A104-L183 HydrophobicContact CB-CD1 4.24Å; A104-L183 HydrophobicContact CB-CD2 3.58Å; A104-L183 HydrophobicContact CB-CG 4.38Å; Y108-L183 HydrophobicContact CD2-CD2 4.3Å; Y108-L183 HydrophobicContact CE2-CD2 3.38Å; Y108-L183 WeakPolarHBondContact OH-CD2 3.34Å; F169-L183 HydrophobicContact CE1-CD1 4.36Å; F169-L183 HydrophobicContact CZ-CD1 3.76Å; V173-L183 HydrophobicContact CB-CD1 4.4Å; V173-L183 HydrophobicContact CG1-CD1 3.67Å; V173-L183 HydrophobicContact CG2-CD1 3.73Å; L179-L183 HydrophobicContact CD1-CG 4.48Å; L179-L183 HydrophobicContact CG-CD1 4.11Å; L179-L183 HydrophobicContact CG-CG 4.45Å; L179-L183 WeakPolarHBondContact O-CB 3.41Å; L179-L183 VanDerWaalsContact O-CG 3.24Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 2.72Å; M180-L183 PolarHBondContact O-N 3.36Å; R181-L183 VanDerWaalsContact C-N 3.34Å; R181-L183 PolarHBondContact O-N 3.34Å |
| 184 | T | 63.6 | Low | 56.5 | Low | 41 Ų | 41 | 79 Ų | 79 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -86.4 | -7.3 | 174.4 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | M180 R181 N186 T187 H188 | M180-T184 HydrophobicContact CE-CG2 4.31Å; M180-T184 WeakPolarHBondContact O-CG2 3.42Å; M180-T184 PolarHBondContact O-N 3.28Å; M180-T184 PolarHBondContact O-OG1 2.96Å; M180-T184 VanDerWaalsContact O-OG1 3.13Å; R181-T184 WeakPolarHBondContact CA-OG1 3.01Å; R181-T184 CarbonylContact O-C 3.48Å; R181-T184 PolarHBondContact O-N 3.41Å; R181-T184 PolarHBondContact O-OG1 3.08Å; R181-T184 VanDerWaalsContact O-OG1 3.09Å; T184-N186 PolarHBondContact O-N 2.99Å; T184-N186 VanDerWaalsContact O-N 3.11Å; T184-T187 PolarHBondContact O-N 3.24Å; T184-T187 PolarHBondContact O-OG1 3.47Å; T184-H188 PolarHBondContact O-CD2 3.31Å; T184-H188 PolarHBondContact O-N 2.7Å |
| 185 | F | 55.6 | Low | 54 | Low | 25 Ų | 25 | 78.8 Ų | 78.8 | 11% | 0.11 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.6 | 177 | -101.8 | -74.1 | 0 | 0 | 0 | 112.3 | V136 R181 L182 T187 L190 | V136-F185 HydrophobicContact CG2-CZ 4.3Å; R181-F185 HydrophobicContact CG-CD2 3.9Å; R181-F185 HydrophobicContact CG-CE2 3.57Å; R181-F185 HydrophobicContact CG-CZ 4.41Å; R181-F185 WeakPolarHBondContact O-CD2 3.37Å; R181-F185 PolarHBondContact O-N 3.07Å; L182-F185 HydrophobicContact CD2-CD2 3.95Å; L182-F185 HydrophobicContact CD2-CE2 4.24Å; L182-F185 WeakPolarHBondContact O-CB 3.4Å; L182-F185 PolarHBondContact O-N 2.91Å; F185-T187 PolarHBondContact O-N 2.88Å; F185-T187 VanDerWaalsContact O-N 3.16Å; F185-L190 HydrophobicContact CE1-CD2 4.3Å |
| 186 | N | 48.2 | Very low | 51.5 | Low | 21 Ų | 21 | 80.9 Ų | 80.9 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -4 | 170.2 | -88.2 | -28.2 | 0 | 0 | 0 | 114.6 | Y52 T184 I229 | Y52-N186 PolarHBondContact OH-OD1 2.97Å; T184-N186 PolarHBondContact O-N 2.99Å; T184-N186 VanDerWaalsContact O-N 3.11Å; N186-I229 HydrophobicContact CB-CD1 4.38Å; N186-I229 VanDerWaalsContact O-CD1 3.27Å; N186-I229 WeakPolarHBondContact O-CD1 3.41Å; N186-I229 VanDerWaalsContact O-CG1 3.28Å; N186-I229 WeakPolarHBondContact O-CG1 3.39Å |
| 187 | T | 38.5 | Very low | 49 | Very low | 21 Ų | 21 | 89.6 Ų | 89.6 | 13% | 0.129 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -32.2 | 174.8 | 54 | 0 | 0 | 0 | 0 | 113.2 | T184 F185 S189 V226 P228 | T184-T187 PolarHBondContact O-N 3.24Å; T184-T187 PolarHBondContact O-OG1 3.47Å; F185-T187 PolarHBondContact O-N 2.88Å; F185-T187 VanDerWaalsContact O-N 3.16Å; T187-S189 VanDerWaalsContact C-N 3.33Å; T187-S189 PolarHBondContact O-N 3.45Å; T187-V226 WeakPolarHBondContact O-CG1 3.38Å; T187-P228 HydrophobicContact CG2-CB 4.29Å; T187-P228 HydrophobicContact CG2-CG 4.26Å |
| 188 | H | 34.9 | Very low | 46.7 | Very low | 94 Ų | 94 | 88.9 Ų | 88.9 | 44% | 0.435 | 43% | 0.434 | S | S | . | . | trans | -80.4 | 81.5 | 179.5 | -66.8 | -78 | 0 | 0 | 0 | 111.5 | T184 L190 | T184-H188 PolarHBondContact O-CD2 3.31Å; T184-H188 PolarHBondContact O-N 2.7Å; H188-L190 PolarHBondContact O-N 3.01Å | ||
| 189 | S | 36.7 | Very low | 44.5 | Very low | 38 Ų | 38 | 92.3 Ų | 92.3 | 27% | 0.266 | 45% | 0.452 | S | S | . | . | trans | -45.5 | 126.7 | 163.9 | -168.5 | 0 | 0 | 0 | 0 | 109.1 | T187 H191 Q232 | T187-S189 VanDerWaalsContact C-N 3.33Å; T187-S189 PolarHBondContact O-N 3.45Å; S189-H191 PolarHBondContact O-N 2.88Å; S189-Q232 PolarHBondContact OG-NE2 3.46Å; S189-Q232 PolarHBondContact OG-OE1 3.47Å | ||
| 190 | L | 30.6 | Very low | 42.2 | Very low | 96 Ų | 96 | 99 Ų | 99 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -62.9 | 23.6 | -179.1 | -76.1 | 163.4 | 0 | 0 | 0 | 114.5 | F185 H188 H192 | F185-L190 HydrophobicContact CE1-CD2 4.3Å; H188-L190 PolarHBondContact O-N 3.01Å; L190-H192 PolarHBondContact O-N 3.45Å |
| 191 | H | 33.9 | Very low | 39.6 | Very low | 169 Ų | 169 | 100.5 Ų | 100.5 | 78% | 0.782 | 51% | 0.512 | S | S | * | . | trans | -89 | 58.5 | 167.2 | -92.3 | 84.8 | 0 | 0 | 0 | 111.1 | S189 | S189-H191 PolarHBondContact O-N 2.88Š| ||
| 192 | H | 32.2 | Very low | 37.5 | Very low | 169 Ų | 169 | 98.7 Ų | 98.7 | 78% | 0.782 | 52% | 0.524 | S | S | * | . | trans | -155.2 | 70.3 | 144.9 | -127.6 | -64.2 | 0 | 0 | 0 | 108.6 | L190 H194 | L190-H192 PolarHBondContact O-N 3.45Å; H192-H194 PolarHBondContact ND1-O 3Å | ||
| 193 | Q | 31 | Very low | 35.7 | Very low | 156 Ų | 156 | 104.9 Ų | 104.9 | 73% | 0.729 | 56% | 0.557 | S | S | * | * | trans | -62 | 138.7 | 149.4 | -69.1 | -174.1 | -50.9 | 0 | 0 | 107 | ||||
| 194 | H | 27.2 | Very low | 33.9 | Very low | 161 Ų | 161 | 109.3 Ų | 109.3 | 75% | 0.745 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 75.8 | 121.9 | -175.1 | -48.6 | -87.9 | 0 | 0 | 0 | 112.9 | H192 | H192-H194 PolarHBondContact ND1-O 3Š|
| 195 | S | 30.5 | Very low | 32.3 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | cis | -159.2 | -0.1 | 23.6 | 51.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 196 | D | 28.5 | Very low | 30.8 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -109.1 | 130.4 | -162.7 | -64.1 | -10.7 | 0 | 0 | 0 | 112.1 | ||
| 197 | Y | 27.3 | Very low | 29.7 | Very low | 194 Ų | 194 | 125.5 Ų | 125.5 | 76% | 0.761 | 68% | 0.675 | S | S | * | * | trans | 90.8 | 41.9 | 175.7 | -53.2 | -80.2 | 0 | 0 | 0 | 117.9 | I199 | Y197-I199 HydrophobicContact CD1-CB 4.16Å; Y197-I199 HydrophobicContact CD1-CD1 4.08Å; Y197-I199 HydrophobicContact CD1-CG1 4.22Å; Y197-I199 HydrophobicContact CE1-CD1 4.12Å; Y197-I199 PolarHBondContact O-N 3.2Å | ||
| 198 | L | 25.4 | Very low | 28.9 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | -77.3 | 56.8 | 129.1 | -76.6 | 174.7 | 0 | 0 | 0 | 109.8 | |||||
| 199 | I | 26.2 | Very low | 28.6 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 57% | 0.574 | 73% | 0.725 | S | S | * | * | trans | -108.7 | 92 | 171.3 | -59.6 | -174.6 | 0 | 0 | 0 | 107.4 | Y197 | Y197-I199 HydrophobicContact CD1-CB 4.16Å; Y197-I199 HydrophobicContact CD1-CD1 4.08Å; Y197-I199 HydrophobicContact CD1-CG1 4.22Å; Y197-I199 HydrophobicContact CE1-CD1 4.12Å; Y197-I199 PolarHBondContact O-N 3.2Å | ||
| 200 | N | 28.8 | Very low | 28 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 57 | 100.3 | 142.3 | -50.7 | -24.7 | 0 | 0 | 0 | 114.8 | ||||
| 201 | G | 25.4 | Very low | 27.8 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | cis | 64.4 | 100.3 | 49.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 202 | S | 28.2 | Very low | 27.6 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 102.5 | 106 | 158.3 | -39.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 203 | N | 29.2 | Very low | 27.4 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | 92.6 | 133.3 | 128.3 | -121.7 | 30.9 | 0 | 0 | 0 | 121.9 | |||||
| 204 | D | 29.2 | Very low | 27.3 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | 82.2 | 86.1 | 151.5 | -52.8 | -34.4 | 0 | 0 | 0 | 119.2 | K206 | D204-K206 PolarHBondContact O-N 2.65Š| ||
| 205 | N | 30 | Very low | 27.2 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | 18.8 | 80 | 127 | -157 | 41.1 | 0 | 0 | 0 | 115.8 | |||||
| 206 | K | 25.8 | Very low | 27.1 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -129.8 | 99.3 | 156.3 | -72.4 | -172.5 | -178.9 | 172.8 | 0 | 107.6 | D204 W208 | D204-K206 PolarHBondContact O-N 2.65Å; K206-W208 PolarHBondContact O-N 3.24Å | ||
| 207 | G | 23.3 | Very low | 27.2 | Very low | 71 Ų | 71 | 148.4 Ų | 148.4 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48 | 124.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P209 | G207-P209 WeakPolarHBondContact O-CD 3.36Š|
| 208 | W | 22.9 | Very low | 27.2 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 117.8 | 170 | -102.9 | 24.4 | 0 | 0 | 0 | 107.7 | K206 C210 | K206-W208 PolarHBondContact O-N 3.24Å; W208-C210 PolarHBondContact O-N 3.2Å |
| 209 | P | 28.4 | Very low | 27.3 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 117.5 | 171.5 | 30.6 | -27.8 | 0 | 0 | 0 | 107.5 | G207 T211 | G207-P209 WeakPolarHBondContact O-CD 3.36Å; P209-T211 VanDerWaalsContact C-N 3.34Å; P209-T211 HydrophobicContact CB-CG2 4.48Å; P209-T211 PolarHBondContact O-N 3.16Å |
| 210 | C | 24.3 | Very low | 27.5 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -60.2 | 98.9 | 162.1 | -65.1 | 0 | 0 | 0 | 0 | 107.6 | W208 | W208-C210 PolarHBondContact O-N 3.2Š| ||
| 211 | T | 25.8 | Very low | 27.5 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | trans | -125.9 | 119.7 | 165.6 | 54.6 | 0 | 0 | 0 | 0 | 108.8 | P209 T213 | P209-T211 VanDerWaalsContact C-N 3.34Å; P209-T211 HydrophobicContact CB-CG2 4.48Å; P209-T211 PolarHBondContact O-N 3.16Å; T211-T213 PolarHBondContact O-N 3.5Å | ||
| 212 | D | 30.6 | Very low | 27.6 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -34.4 | 117.7 | 168.5 | -77.7 | -53.8 | 0 | 0 | 0 | 113.4 | ||||
| 213 | T | 28.4 | Very low | 27.6 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -149.4 | 105.8 | 146.8 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | T211 | T211-T213 PolarHBondContact O-N 3.5Š| ||
| 214 | H | 28.4 | Very low | 27.7 | Very low | 177 Ų | 177 | 152 Ų | 152 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | 53.3 | 97.9 | 144.1 | -69.2 | 71.4 | 0 | 0 | 0 | 117.1 | N216 | H214-N216 PolarHBondContact O-N 2.98Š| ||
| 215 | Y | 24.8 | Very low | 27.6 | Very low | 231 Ų | 231 | 152 Ų | 152 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -38.4 | 99.2 | 151.6 | -106.9 | -101.3 | 0 | 0 | 0 | 110.3 | ||||
| 216 | N | 27.6 | Very low | 27.4 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -112 | 112.4 | 168.9 | -145 | 4 | 0 | 0 | 0 | 107.3 | H214 Q218 | H214-N216 PolarHBondContact O-N 2.98Å; N216-Q218 PolarHBondContact O-N 3.27Å | ||
| 217 | H | 32.2 | Very low | 27.8 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -53.1 | 115 | 172.9 | -98.1 | -58.3 | 0 | 0 | 0 | 110.1 | ||||
| 218 | Q | 25.6 | Very low | 28.6 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -168.2 | 126.7 | 146.3 | -105.5 | 152.1 | 12.7 | 0 | 0 | 111.2 | N216 | N216-Q218 PolarHBondContact O-N 3.27Š| ||
| 219 | S | 28.7 | Very low | 29.4 | Very low | 92 Ų | 92 | 130.7 Ų | 130.7 | 64% | 0.643 | 68% | 0.681 | S | S | * | * | trans | 77.3 | 85.6 | 156.6 | -40.7 | 0 | 0 | 0 | 0 | 117.5 | D221 | S219-D221 PolarHBondContact O-N 2.88Š| ||
| 220 | N | 30.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 126.8 Ų | 126.8 | 87% | 0.866 | 66% | 0.656 | S | S | * | * | trans | -68 | 72.7 | 155.6 | -78.6 | -26.2 | 0 | 0 | 0 | 109.6 | Y222 | N220-Y222 PolarHBondContact O-N 3.44Š| ||
| 221 | D | 27.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | trans | -87.1 | 42.6 | 170.5 | -78.2 | -23.3 | 0 | 0 | 0 | 111.5 | S219 | S219-D221 PolarHBondContact O-N 2.88Š| ||
| 222 | Y | 29.1 | Very low | 31.3 | Very low | 192 Ų | 192 | 122 Ų | 122 | 75% | 0.753 | 61% | 0.614 | S | S | * | * | trans | -93.6 | 92.3 | 160 | -73.5 | -80.1 | 0 | 0 | 0 | 107.1 | N220 N224 | N220-Y222 PolarHBondContact O-N 3.44Å; Y222-N224 PolarHBondContact O-N 2.63Å | ||
| 223 | D | 27.7 | Very low | 31.6 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | trans | -44.7 | 104.7 | 170.9 | -179.8 | 0.1 | 0 | 0 | 0 | 110.6 | T225 | D223-T225 PolarHBondContact O-N 2.7Å; D223-T225 WeakPolarHBondContact OD1-CB 3.47Å; D223-T225 WeakPolarHBondContact OD1-CG2 2.95Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 VanDerWaalsContact OD1-N 3.09Å; D223-T225 PolarHBondContact OD1-OG1 3.36Å; D223-T225 PolarHBondContact OD2-OG1 3.44Å | ||
| 224 | N | 31.2 | Very low | 32.2 | Very low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 55% | 0.546 | S | S | * | . | trans | -81.3 | 15 | -177.2 | -93 | -24.2 | 0 | 0 | 0 | 113 | Y222 V226 | Y222-N224 PolarHBondContact O-N 2.63Å; N224-V226 PolarHBondContact O-N 3.01Å | ||
| 225 | T | 26.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 105.6 Ų | 105.6 | 72% | 0.718 | 53% | 0.534 | S | S | * | . | trans | -83.5 | 44 | 178.9 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | D223 | D223-T225 PolarHBondContact O-N 2.7Å; D223-T225 WeakPolarHBondContact OD1-CB 3.47Å; D223-T225 WeakPolarHBondContact OD1-CG2 2.95Å; D223-T225 PolarHBondContact OD1-N 2.86Å; D223-T225 VanDerWaalsContact OD1-N 3.09Å; D223-T225 PolarHBondContact OD1-OG1 3.36Å; D223-T225 PolarHBondContact OD2-OG1 3.44Å | ||
| 226 | V | 27.4 | Very low | 33.5 | Very low | 50 Ų | 50 | 99 Ų | 99 | 30% | 0.303 | 51% | 0.51 | S | S | . | . | trans | -114.2 | 110.4 | 178.3 | -171.6 | 0 | 0 | 0 | 0 | 110 | T187 N224 P228 | T187-V226 WeakPolarHBondContact O-CG1 3.38Å; N224-V226 PolarHBondContact O-N 3.01Å; V226-P228 VanDerWaalsContact O-CD 3.27Å; V226-P228 WeakPolarHBondContact O-CD 3.47Å | ||
| 227 | K | 33.6 | Very low | 34 | Very low | 157 Ų | 157 | 97.4 Ų | 97.4 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | trans | -72.8 | 118.6 | 177.2 | -71.8 | -175.9 | -176.8 | 178.9 | 0 | 109.2 | N231 | K227-N231 HydrophobicContact CB-CB 4.16Š| ||
| 228 | P | 38.9 | Very low | 34.1 | Very low | 9 Ų | 9 | 96.2 Ų | 96.2 | 6% | 0.058 | 50% | 0.498 | C | S | . | . | trans | -68.5 | 160.1 | -171.7 | -30.6 | 45.9 | 0 | 0 | 0 | 113.1 | N93 T187 V226 V230 N231 | N93-P228 HydrophobicContact CB-CB 4.22Å; N93-P228 HydrophobicContact CB-CG 3.56Å; N93-P228 WeakPolarHBondContact OD1-CB 3.41Å; N93-P228 WeakPolarHBondContact OD1-CG 3.16Å; T187-P228 HydrophobicContact CG2-CB 4.29Å; T187-P228 HydrophobicContact CG2-CG 4.26Å; V226-P228 VanDerWaalsContact O-CD 3.27Å; V226-P228 WeakPolarHBondContact O-CD 3.47Å; P228-V230 PolarHBondContact O-N 3.29Å; P228-N231 WeakPolarHBondContact O-CA 3.35Å; P228-N231 VanDerWaalsContact O-CB 3.25Å; P228-N231 WeakPolarHBondContact O-CB 3.45Å; P228-N231 PolarHBondContact O-N 2.91Å | ||
| 229 | I | 41.2 | Very low | 34.4 | Very low | 12 Ų | 12 | 92.3 Ų | 92.3 | 6% | 0.062 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -42.5 | -45.3 | -176.6 | -75.8 | 175.8 | 0 | 0 | 0 | 112.2 | F55 F56 N186 N231 Q232 | F55-I229 HydrophobicContact CB-CG2 4.28Å; F55-I229 HydrophobicContact CD1-CG2 3.73Å; F55-I229 HydrophobicContact CD2-CG2 3.29Å; F55-I229 HydrophobicContact CE1-CG2 3.68Å; F55-I229 WeakPolarHBondContact CE1-O 3.48Å; F55-I229 HydrophobicContact CE2-CG2 3.27Å; F55-I229 HydrophobicContact CG-CG2 3.51Å; F55-I229 HydrophobicContact CZ-CG2 3.42Å; F55-I229 VanDerWaalsContact CZ-CG2 3.42Å; F55-I229 WeakPolarHBondContact CZ-O 3.28Å; F56-I229 HydrophobicContact CE2-CD1 4.14Å; F56-I229 HydrophobicContact CZ-CD1 4Å; N186-I229 HydrophobicContact CB-CD1 4.38Å; N186-I229 VanDerWaalsContact O-CD1 3.27Å; N186-I229 WeakPolarHBondContact O-CD1 3.41Å; N186-I229 VanDerWaalsContact O-CG1 3.28Å; N186-I229 WeakPolarHBondContact O-CG1 3.39Å; I229-N231 PolarHBondContact O-N 3.42Å; I229-Q232 WeakPolarHBondContact O-CB 3.29Å; I229-Q232 PolarHBondContact O-N 2.98Å; I229-Q232 VanDerWaalsContact O-N 3.09Å |
| 230 | V | 41.3 | Very low | 34.5 | Very low | 20 Ų | 20 | 94.8 Ų | 94.8 | 12% | 0.121 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -69 | -31.8 | -178.8 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | W30 F85 L89 P228 Q232 S233 F234 | W30-V230 HydrophobicContact CH2-CG1 4.2Å; W30-V230 HydrophobicContact CZ3-CG1 3.9Å; F85-V230 HydrophobicContact CD2-CG1 4.41Å; F85-V230 HydrophobicContact CE1-CG1 4.31Å; F85-V230 HydrophobicContact CE2-CG1 3.23Å; F85-V230 HydrophobicContact CZ-CG1 3.17Å; L89-V230 HydrophobicContact CD1-CG1 3.74Å; L89-V230 HydrophobicContact CD2-CB 3.26Å; L89-V230 HydrophobicContact CD2-CG1 3.27Å; L89-V230 HydrophobicContact CD2-CG2 3.72Å; L89-V230 HydrophobicContact CG-CB 4.33Å; L89-V230 HydrophobicContact CG-CG1 3.85Å; P228-V230 PolarHBondContact O-N 3.29Å; V230-Q232 PolarHBondContact O-N 3.41Å; V230-S233 PolarHBondContact O-N 3.25Å; V230-F234 HydrophobicContact CG1-CD2 3.56Å; V230-F234 HydrophobicContact CG1-CE2 3.91Å; V230-F234 WeakPolarHBondContact O-CD2 3.49Å; V230-F234 PolarHBondContact O-N 3.21Å |
| 231 | N | 37.4 | Very low | 34.5 | Very low | 41 Ų | 41 | 91.8 Ų | 91.8 | 22% | 0.219 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.7 | -25.4 | 172 | -76 | 13.3 | 0 | 0 | 0 | 112.7 | W30 N93 K227 P228 I229 | W30-N231 HydrophobicContact CH2-CB 4.33Å; W30-N231 WeakPolarHBondContact CH2-OD1 3.5Å; W30-N231 WeakPolarHBondContact CZ2-OD1 3.49Å; N93-N231 PolarHBondContact ND2-OD1 3.34Å; K227-N231 HydrophobicContact CB-CB 4.16Å; P228-N231 WeakPolarHBondContact O-CA 3.35Å; P228-N231 VanDerWaalsContact O-CB 3.25Å; P228-N231 WeakPolarHBondContact O-CB 3.45Å; P228-N231 PolarHBondContact O-N 2.91Å; I229-N231 PolarHBondContact O-N 3.42Å |
| 232 | Q | 39.2 | Very low | 34.9 | Very low | 95 Ų | 95 | 92.3 Ų | 92.3 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -79.7 | -32.8 | -179.6 | -68.8 | -173.6 | -26 | 0 | 0 | 112.4 | F55 S189 I229 V230 | F55-Q232 HydrophobicContact CE1-CB 4.16Å; S189-Q232 PolarHBondContact OG-NE2 3.46Å; S189-Q232 PolarHBondContact OG-OE1 3.47Å; I229-Q232 WeakPolarHBondContact O-CB 3.29Å; I229-Q232 PolarHBondContact O-N 2.98Å; I229-Q232 VanDerWaalsContact O-N 3.09Å; V230-Q232 PolarHBondContact O-N 3.41Å |
| 233 | S | 37.5 | Very low | 35.3 | Very low | 24 Ų | 24 | 89 Ų | 89 | 17% | 0.168 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -86.2 | -26.2 | 176.1 | -77 | 0 | 0 | 0 | 0 | 114.4 | F55 V230 P235 | F55-S233 VanDerWaalsContact CE1-OG 3.29Å; F55-S233 WeakPolarHBondContact CE1-OG 3.32Å; F55-S233 WeakPolarHBondContact CZ-OG 3.22Å; V230-S233 PolarHBondContact O-N 3.25Å; S233-P235 WeakPolarHBondContact O-CD 3.43Å |
| 234 | F | 39.2 | Very low | 35.9 | Very low | 9 Ų | 9 | 88.3 Ų | 88.3 | 4% | 0.039 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -117.4 | 70.3 | 177.9 | -57.7 | -82.1 | 0 | 0 | 0 | 108.7 | W30 G33 F34 E37 F85 V230 K236 | W30-F234 HydrophobicContact CE3-CB 3.75Å; W30-F234 HydrophobicContact CE3-CG 4.45Å; W30-F234 HydrophobicContact CH2-CB 4.4Å; W30-F234 HydrophobicContact CZ3-CB 3.37Å; W30-F234 HydrophobicContact CZ3-CD2 4.24Å; W30-F234 HydrophobicContact CZ3-CG 4.1Å; G33-F234 VanDerWaalsContact C-CD1 3.44Å; G33-F234 WeakPolarHBondContact O-CD1 3.33Å; F34-F234 HydrophobicContact CB-CE1 4.5Å; F34-F234 HydrophobicContact CD2-CE1 4.45Å; F34-F234 HydrophobicContact CD2-CZ 4.5Å; E37-F234 HydrophobicContact CB-CE1 3.77Å; E37-F234 HydrophobicContact CB-CZ 4.43Å; E37-F234 HydrophobicContact CG-CD1 4Å; E37-F234 HydrophobicContact CG-CE1 3.65Å; E37-F234 HydrophobicContact CG-CZ 4.43Å; F85-F234 AromaticContact CE2-CD2 3.88Å; F85-F234 HydrophobicContact CE2-CD2 3.88Å; F85-F234 AromaticContact CE2-CE2 3.41Å; F85-F234 HydrophobicContact CE2-CE2 3.41Å; F85-F234 VanDerWaalsContact CE2-CE2 3.41Å; F85-F234 AromaticContact CE2-CZ 3.92Å; F85-F234 HydrophobicContact CE2-CZ 3.92Å; F85-F234 HydrophobicContact CZ-CD1 4.45Å; F85-F234 AromaticContact CZ-CD2 3.43Å; F85-F234 HydrophobicContact CZ-CD2 3.43Å; F85-F234 VanDerWaalsContact CZ-CD2 3.43Å; F85-F234 HydrophobicContact CZ-CE1 4.45Å; F85-F234 AromaticContact CZ-CE2 3.44Å; F85-F234 HydrophobicContact CZ-CE2 3.44Å; F85-F234 VanDerWaalsContact CZ-CE2 3.44Å; F85-F234 AromaticContact CZ-CG 3.95Å; F85-F234 HydrophobicContact CZ-CG 3.95Å; F85-F234 AromaticContact CZ-CZ 3.96Å; F85-F234 HydrophobicContact CZ-CZ 3.96Å; V230-F234 HydrophobicContact CG1-CD2 3.56Å; V230-F234 HydrophobicContact CG1-CE2 3.91Å; V230-F234 WeakPolarHBondContact O-CD2 3.49Å; V230-F234 PolarHBondContact O-N 3.21Å; F234-K236 PolarHBondContact O-N 2.97Å |
| 235 | P | 39.7 | Very low | 36 | Very low | 88 Ų | 88 | 90.2 Ų | 90.2 | 57% | 0.571 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 125.6 | -179.4 | 24.1 | -32 | 0 | 0 | 0 | 109.5 | S233 Q237 | S233-P235 WeakPolarHBondContact O-CD 3.43Å; P235-Q237 PolarHBondContact O-N 3.03Å |
| 236 | K | 41.1 | Very low | 36.8 | Very low | 91 Ų | 91 | 93.8 Ų | 93.8 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 126.9 | 165.6 | -70 | -176.2 | 173.2 | -173.7 | 0 | 108 | E26 F234 N238 | E26-K236 IonicContact OE1-NZ 3.48Å; E26-K236 PolarHBondContact OE1-NZ 3.09Å; F234-K236 PolarHBondContact O-N 2.97Å; K236-N238 PolarHBondContact O-N 2.85Å |
| 237 | Q | 37.7 | Very low | 37.3 | Very low | 119 Ų | 119 | 96 Ų | 96 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 122 | 169 | -71.2 | -170.1 | -16.6 | 0 | 0 | 107 | P235 V239 | P235-Q237 PolarHBondContact O-N 3.03Å; Q237-V239 PolarHBondContact O-N 3.08Å |
| 238 | N | 34.2 | Very low | 37.5 | Very low | 156 Ų | 156 | 92.8 Ų | 92.8 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | trans | -60.2 | 99.9 | 159 | -85.8 | -11.3 | 0 | 0 | 0 | 105.4 | K236 I240 | K236-N238 PolarHBondContact O-N 2.85Å; N238-I240 VanDerWaalsContact C-N 3.29Å; N238-I240 PolarHBondContact O-N 3.22Å | ||
| 239 | V | 33.6 | Very low | 37.4 | Very low | 96 Ų | 96 | 97.4 Ų | 97.4 | 58% | 0.582 | 55% | 0.55 | S | S | * | . | trans | -63.9 | 99.8 | 169.4 | -179.3 | 0 | 0 | 0 | 0 | 105.3 | Q237 P241 | Q237-V239 PolarHBondContact O-N 3.08Å; V239-P241 WeakPolarHBondContact O-CD 3.42Å | ||
| 240 | I | 29.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 102.5 Ų | 102.5 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | trans | -59.8 | 120.9 | 165.1 | -58.6 | 174.9 | 0 | 0 | 0 | 104.4 | N238 D242 | N238-I240 VanDerWaalsContact C-N 3.29Å; N238-I240 PolarHBondContact O-N 3.22Å; I240-D242 PolarHBondContact O-N 2.9Å | ||
| 241 | P | 31.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 107.6 Ų | 107.6 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | trans | -58.2 | 128.7 | 177 | -15.1 | 27.1 | 0 | 0 | 0 | 107.6 | V239 T243 | V239-P241 WeakPolarHBondContact O-CD 3.42Å; P241-T243 VanDerWaalsContact C-N 3.27Å; P241-T243 PolarHBondContact O-N 2.79Å | ||
| 242 | D | 34.9 | Very low | 36.9 | Very low | 159 Ų | 159 | 112.1 Ų | 112.1 | 85% | 0.85 | 63% | 0.633 | S | S | * | * | trans | -57.5 | 95.2 | 169.4 | -103.9 | -31.2 | 0 | 0 | 0 | 107.8 | I240 S244 | I240-D242 PolarHBondContact O-N 2.9Å; D242-S244 PolarHBondContact O-N 3.01Å | ||
| 243 | T | 39.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 76% | 0.755 | 65% | 0.646 | S | S | * | * | trans | -78.4 | 72.6 | 163 | 53.2 | 0 | 0 | 0 | 0 | 106.9 | P241 E245 | P241-T243 VanDerWaalsContact C-N 3.27Å; P241-T243 PolarHBondContact O-N 2.79Å; T243-E245 PolarHBondContact O-N 3.22Å | ||
| 244 | S | 39.8 | Very low | 36.7 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | -81 | 79.1 | 155.4 | 62.1 | 0 | 0 | 0 | 0 | 107.1 | D242 | D242-S244 PolarHBondContact O-N 3.01Š| ||
| 245 | E | 33.2 | Very low | 36.5 | Very low | 184 Ų | 184 | 129.4 Ų | 129.4 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -72.4 | 119.9 | 155.8 | -83.2 | -178.3 | 155.3 | 0 | 0 | 107.4 | T243 | T243-E245 PolarHBondContact O-N 3.22Š| ||
| 246 | S | 43.1 | Very low | 36.2 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 100% | 1.35 | 75% | 0.752 | S | S | * | * | trans | -146.8 | 0 | 160.3 | -63.7 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 246 of 246 residues in 97.7 ms
(Link to these results)