| 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 | 42.8 | Very low | 82.2 | Confident | 240 Ų | 240 | 85.3 Ų | 85.3 | 100% | 1.182 | 45% | 0.454 | S | S | * | . | 0 | 125.8 | 0 | -78.4 | 174.8 | 176.2 | 0 | 0 | 107.1 | G3 | M1-G3 PolarHBondContact O-N 3.41Š| |||
| 2 | A | 53.3 | Low | 83.4 | Confident | 30 Ų | 30 | 82.9 Ų | 82.9 | 25% | 0.248 | 44% | 0.437 | C | S | . | . | trans | -57 | 123.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | F4 | A2-F4 VanDerWaalsContact C-N 3.25Å; A2-F4 HydrophobicContact CB-CD2 3.73Å; A2-F4 HydrophobicContact CB-CE2 3.23Å; A2-F4 HydrophobicContact CB-CZ 3.85Å; A2-F4 WeakPolarHBondContact O-CD2 3.31Å; A2-F4 PolarHBondContact O-N 3.32Å | ||
| 3 | G | 69.1 | Low | 84.5 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 56% | 0.557 | 40% | 0.404 | S | S | * | . | trans | -73 | 80.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | M1 R69 | M1-G3 PolarHBondContact O-N 3.41Å; G3-R69 PolarHBondContact O-NH2 3.42Å | ||
| 4 | F | 87.1 | Confident | 85.4 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | trans | -82.5 | 124.9 | 170.7 | -65.2 | -85.6 | 0 | 0 | 0 | 108.6 | A2 E62 V65 I82 E84 V89 | A2-F4 VanDerWaalsContact C-N 3.25Å; A2-F4 HydrophobicContact CB-CD2 3.73Å; A2-F4 HydrophobicContact CB-CE2 3.23Å; A2-F4 HydrophobicContact CB-CZ 3.85Å; A2-F4 WeakPolarHBondContact O-CD2 3.31Å; A2-F4 PolarHBondContact O-N 3.32Å; F4-E62 HydrophobicContact CE2-CG 4.16Å; F4-E62 HydrophobicContact CZ-CG 4Å; F4-V65 HydrophobicContact CE1-CG1 4.47Å; F4-V65 HydrophobicContact CE1-CG2 4.11Å; F4-V65 HydrophobicContact CZ-CG1 4.38Å; F4-V65 HydrophobicContact CZ-CG2 4.41Å; F4-I82 HydrophobicContact CD1-CG2 3.36Å; F4-I82 HydrophobicContact CE1-CG2 3.65Å; F4-I82 HydrophobicContact CG-CG2 4.44Å; F4-E84 HydrophobicContact CB-CB 3.8Å; F4-E84 HydrophobicContact CD1-CB 4.18Å; F4-E84 HydrophobicContact CG-CB 4.24Å; F4-V89 HydrophobicContact CD1-CG1 4.23Å; F4-V89 HydrophobicContact CE1-CG1 3.89Å | ||
| 5 | R | 91.9 | Very high | 86.1 | Confident | 64 Ų | 64 | 75 Ų | 75 | 24% | 0.242 | 39% | 0.394 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 127.6 | 174.3 | -60.4 | -174.5 | 67.3 | -171.4 | -3.3 | 109.2 | E7 D81 I82 F83 E84 | R5-E7 WeakPolarHBondContact CB-OE2 3.48Å; R5-E7 IonicContact CZ-OE1 2.77Å; R5-E7 IonicContact NE-OE1 3Å; R5-E7 PolarHBondContact NE-OE1 3.48Å; R5-E7 IonicContact NH2-OE1 2.71Å; R5-E7 PolarHBondContact NH2-OE1 3.28Å; R5-D81 VanDerWaalsContact CD-OD1 3.3Å; R5-D81 WeakPolarHBondContact CD-OD1 3.41Å; R5-D81 WeakPolarHBondContact CD-OD2 3.43Å; R5-D81 IonicContact CZ-OD2 2.68Å; R5-D81 IonicContact NH1-OD2 3.77Å; R5-D81 PolarHBondContact NH1-OD2 3.15Å; R5-I82 WeakPolarHBondContact CB-O 3.46Å; R5-I82 WeakPolarHBondContact CG-O 3.37Å; R5-I82 PolarHBondContact N-O 2.93Å; R5-F83 HydrophobicContact CB-CD1 3.69Å; R5-F83 HydrophobicContact CB-CE1 3.94Å; R5-F83 HydrophobicContact CB-CG 4.25Å; R5-F83 CarbonylContact O-C 3.57Å; R5-F83 WeakPolarHBondContact O-CA 3.44Å; R5-E84 PolarHBondContact O-N 3.44Å |
| 6 | Q | 92.1 | Very high | 86.7 | Confident | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 39% | 0.39 | S | S | * | . | trans | -95.5 | -6.7 | -176.4 | -63.7 | -69.2 | -32.5 | 0 | 0 | 112 | E84 | Q6-E84 PolarHBondContact NE2-OE2 3.48Å; Q6-E84 PolarHBondContact OE1-O 3.21Å | ||
| 7 | E | 92.4 | Very high | 87.1 | Confident | 93 Ų | 93 | 75.8 Ų | 75.8 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -67 | 156.5 | 173.3 | -50.6 | 98 | 104.2 | 0 | 0 | 111.3 | R5 V9 F12 F83 | R5-E7 WeakPolarHBondContact CB-OE2 3.48Å; R5-E7 IonicContact CZ-OE1 2.77Å; R5-E7 IonicContact NE-OE1 3Å; R5-E7 PolarHBondContact NE-OE1 3.48Å; R5-E7 IonicContact NH2-OE1 2.71Å; R5-E7 PolarHBondContact NH2-OE1 3.28Å; E7-V9 PolarHBondContact O-N 3.38Å; E7-F12 HydrophobicContact CB-CE2 3.79Å; E7-F12 HydrophobicContact CG-CE2 4.38Å; E7-F83 WeakPolarHBondContact O-CD1 3.36Å |
| 8 | D | 92.3 | Very high | 87.5 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 51% | 0.508 | 41% | 0.408 | S | S | . | . | trans | -67.5 | 124.8 | 175.8 | -168.4 | -16.1 | 0 | 0 | 0 | 110.5 | E10 V11 | D8-E10 PolarHBondContact O-N 3.11Å; D8-E10 PolarHBondContact OD1-N 3.35Å; D8-E10 VanDerWaalsContact OD1-N 3.08Å; D8-V11 HydrophobicContact CB-CG2 4.07Å; D8-V11 VanDerWaalsContact O-CB 3.29Å; D8-V11 WeakPolarHBondContact O-CB 3.39Å; D8-V11 PolarHBondContact O-N 3.22Å | ||
| 9 | V | 94.5 | Very high | 87.6 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.2 | -31.8 | -180 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | E7 V11 F12 Y13 M15 F43 F83 I90 I92 | E7-V9 PolarHBondContact O-N 3.38Å; V9-V11 PolarHBondContact O-N 3.37Å; V9-F12 PolarHBondContact O-N 3.1Å; V9-Y13 HydrophobicContact CG2-CD2 3.95Å; V9-Y13 PolarHBondContact O-N 3.35Å; V9-M15 HydrophobicContact CB-CE 4.33Å; V9-M15 HydrophobicContact CG1-CE 3.88Å; V9-M15 HydrophobicContact CG2-CE 3.61Å; V9-F43 HydrophobicContact CG1-CE1 4.48Å; V9-F83 HydrophobicContact CB-CB 4.22Å; V9-F83 HydrophobicContact CB-CD1 4.09Å; V9-F83 HydrophobicContact CB-CD2 4.21Å; V9-F83 HydrophobicContact CB-CG 3.91Å; V9-F83 HydrophobicContact CG2-CD1 4.42Å; V9-F83 HydrophobicContact CG2-CD2 3.76Å; V9-F83 HydrophobicContact CG2-CE2 4.02Å; V9-F83 HydrophobicContact CG2-CG 3.99Å; V9-F83 HydrophobicContact CG2-CZ 4.44Å; V9-I90 HydrophobicContact CG1-CD1 4.48Å; V9-I90 HydrophobicContact CG2-CG2 4.48Å; V9-I92 HydrophobicContact CG2-CD1 4.02Å |
| 10 | E | 94.1 | Very high | 87.5 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.4 | -14.8 | 179.1 | -65.1 | -171.2 | -178.4 | 0 | 0 | 112.8 | D8 F12 Y13 M15 K33 | D8-E10 PolarHBondContact O-N 3.11Å; D8-E10 PolarHBondContact OD1-N 3.35Å; D8-E10 VanDerWaalsContact OD1-N 3.08Å; E10-F12 VanDerWaalsContact C-N 3.31Å; E10-Y13 WeakPolarHBondContact CA-O 3.38Å; E10-M15 HydrophobicContact CG-CG 4.41Å; E10-K33 WeakPolarHBondContact O-CE 3.41Å; E10-K33 PolarHBondContact O-NZ 3.29Å |
| 11 | V | 95 | Very high | 87.2 | Confident | 90 Ų | 90 | 75.8 Ų | 75.8 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | D8 V9 K33 | D8-V11 HydrophobicContact CB-CG2 4.07Å; D8-V11 VanDerWaalsContact O-CB 3.29Å; D8-V11 WeakPolarHBondContact O-CB 3.39Å; D8-V11 PolarHBondContact O-N 3.22Å; V9-V11 PolarHBondContact O-N 3.37Å; V11-K33 WeakPolarHBondContact O-CD 3.4Å; V11-K33 PolarHBondContact O-NZ 3.1Å; V11-K33 VanDerWaalsContact O-NZ 3.13Å |
| 12 | F | 96.1 | Very high | 88.8 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 25% | 0.25 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -101.7 | -26.5 | -173 | -60.1 | -86.7 | 0 | 0 | 0 | 113.5 | E7 V9 E10 K33 F83 | E7-F12 HydrophobicContact CB-CE2 3.79Å; E7-F12 HydrophobicContact CG-CE2 4.38Å; V9-F12 PolarHBondContact O-N 3.1Å; E10-F12 VanDerWaalsContact C-N 3.31Å; F12-K33 WeakPolarHBondContact O-CB 3.44Å; F12-K33 PolarHBondContact O-N 2.96Å; F12-F83 HydrophobicContact CB-CZ 4.36Å; F12-F83 AromaticContact CD2-CE1 3.74Å; F12-F83 HydrophobicContact CD2-CE1 3.74Å; F12-F83 HydrophobicContact CD2-CZ 4.07Å; F12-F83 HydrophobicContact CE2-CE1 4.22Å; F12-F83 HydrophobicContact CG-CE1 4.45Å; F12-F83 HydrophobicContact CG-CZ 4.33Å |
| 13 | Y | 97.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.4 | -174.2 | -64.8 | -95.6 | 0 | 0 | 0 | 112.1 | V9 E10 K31 E32 Y39 H80 F83 I92 | V9-Y13 HydrophobicContact CG2-CD2 3.95Å; V9-Y13 PolarHBondContact O-N 3.35Å; E10-Y13 WeakPolarHBondContact CA-O 3.38Å; Y13-K31 CarbonylContact C-O 3.52Å; Y13-K31 VanDerWaalsContact CA-O 3.26Å; Y13-K31 WeakPolarHBondContact CA-O 3.28Å; Y13-E32 HydrophobicContact CD1-CB 3.9Å; Y13-E32 HydrophobicContact CE1-CB 3.58Å; Y13-E32 HydrophobicContact CE1-CG 4.08Å; Y13-Y39 HydrophobicContact CD1-CD2 4.44Å; Y13-Y39 AromaticContact CE1-CD2 3.81Å; Y13-Y39 HydrophobicContact CE1-CD2 3.81Å; Y13-Y39 HydrophobicContact CE1-CE2 4.26Å; Y13-Y39 HydrophobicContact CE1-CG 4.48Å; Y13-H80 PolarHBondContact OH-CD2 3.49Å; Y13-H80 PolarHBondContact OH-NE2 2.86Å; Y13-F83 HydrophobicContact CD2-CE2 4.23Å; Y13-F83 HydrophobicContact CD2-CZ 4.32Å; Y13-F83 AromaticContact CE2-CE2 3.7Å; Y13-F83 HydrophobicContact CE2-CE2 3.7Å; Y13-F83 AromaticContact CE2-CZ 3.85Å; Y13-F83 HydrophobicContact CE2-CZ 3.85Å; Y13-I92 HydrophobicContact CD2-CD1 4.45Å; Y13-I92 HydrophobicContact CE1-CG2 3.81Å; Y13-I92 HydrophobicContact CE2-CD1 4.45Å; Y13-I92 HydrophobicContact CE2-CG1 4.17Å |
| 14 | D | 97.1 | Very high | 90.3 | Very high | 88 Ų | 88 | 66.9 Ų | 66.9 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.8 | 167.7 | -65.5 | -42.2 | 0 | 0 | 0 | 109.5 | C30 K31 K33 | D14-C30 CarbonylContact O-C 3.52Å; D14-C30 WeakPolarHBondContact O-CA 3.22Å; D14-K31 PolarHBondContact N-O 2.84Å; D14-K31 PolarHBondContact O-N 3.5Å; D14-K33 WeakPolarHBondContact OD1-CE 3.28Å; D14-K33 IonicContact OD1-NZ 3.66Å |
| 15 | M | 96.7 | Very high | 90.4 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 128.5 | -178.3 | -62.4 | -61 | 153.2 | 0 | 0 | 111.6 | V9 E10 C30 A41 F43 | V9-M15 HydrophobicContact CB-CE 4.33Å; V9-M15 HydrophobicContact CG1-CE 3.88Å; V9-M15 HydrophobicContact CG2-CE 3.61Å; E10-M15 HydrophobicContact CG-CG 4.41Å; M15-C30 HydrophobicContact CE-CB 4.17Å; M15-C30 HydrophobicContact SD-CB 3.67Å; M15-A41 HydrophobicContact CE-CB 4.48Å; M15-A41 HydrophobicContact SD-CB 4.12Å; M15-F43 HydrophobicContact CE-CZ 4.25Å; M15-F43 HydrophobicContact SD-CE2 4.19Å; M15-F43 HydrophobicContact SD-CZ 3.82Å |
| 16 | G | 94.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 66.5 Ų | 66.5 | 32% | 0.32 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -149.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R28 K29 | G16-R28 PolarHBondContact O-NE 3.34Å; G16-R28 PolarHBondContact O-NH2 2.8Å; G16-K29 WeakPolarHBondContact CA-O 3.4Å; G16-K29 PolarHBondContact N-O 3.27Å |
| 17 | E | 94.3 | Very high | 90.6 | Very high | 133 Ų | 133 | 62.4 Ų | 62.4 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 158.2 | -178.8 | 68.6 | -162.4 | 158.7 | 0 | 0 | 113.3 | L19 R28 K29 | E17-L19 HydrophobicContact CG-CD2 4.38Å; E17-R28 CarbonylContact O-C 3.52Å; E17-R28 VanDerWaalsContact O-CA 3.26Å; E17-R28 WeakPolarHBondContact O-CA 3.2Å; E17-K29 HydrophobicContact CG-CB 4.38Å; E17-K29 PolarHBondContact O-N 2.75Å |
| 18 | E | 94.9 | Very high | 90.8 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.7 | 170.7 | -173.9 | 174.9 | 139.5 | 0 | 0 | 109.4 | S21 I26 | E18-S21 WeakPolarHBondContact OE1-CB 3.32Å; E18-S21 PolarHBondContact OE1-OG 2.95Å; E18-I26 HydrophobicContact CG-CG2 3.93Å |
| 19 | L | 89.4 | Confident | 91 | Very high | 85 Ų | 85 | 60.1 Ų | 60.1 | 45% | 0.445 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -28 | 176.5 | -62.6 | 176 | 0 | 0 | 0 | 111.5 | E17 V27 K29 A40 L95 | E17-L19 HydrophobicContact CG-CD2 4.38Å; L19-V27 HydrophobicContact CB-CG1 4.31Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 3.5Å; L19-K29 HydrophobicContact CD1-CB 4.05Å; L19-K29 HydrophobicContact CD2-CB 4.15Å; L19-K29 HydrophobicContact CG-CB 4.09Å; L19-A40 HydrophobicContact CD1-CB 4.17Å; L19-L95 HydrophobicContact CD1-CD1 3.62Å |
| 20 | G | 85.1 | Confident | 91.2 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | 160.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V27 | G20-V27 PolarHBondContact N-O 3.34Å; G20-V27 PolarHBondContact O-N 3.25Å |
| 21 | S | 81.6 | Confident | 91.3 | Very high | 84 Ų | 84 | 59 Ų | 59 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.3 | 176.3 | 34.9 | 0 | 0 | 0 | 0 | 111.4 | E18 | E18-S21 WeakPolarHBondContact OE1-CB 3.32Å; E18-S21 PolarHBondContact OE1-OG 2.95Å |
| 22 | G | 75.1 | Confident | 91.5 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | trans | -101.1 | -175.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F24 A25 | G22-F24 VanDerWaalsContact C-N 3.33Å; G22-F24 PolarHBondContact O-N 2.85Å; G22-A25 WeakPolarHBondContact CA-O 3.33Å; G22-A25 PolarHBondContact N-O 3.41Å | ||
| 23 | Q | 72.1 | Confident | 91.4 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 26% | 0.262 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -60.6 | -40.6 | -177.6 | -176.3 | 180 | -26.6 | 0 | 0 | 113.2 | N316 V320 | Q23-N316 HydrophobicContact CB-CB 4.24Å; Q23-N316 PolarHBondContact N-ND2 3.05Å; Q23-N316 PolarHBondContact OE1-O 2.96Å; Q23-V320 HydrophobicContact CG-CG2 4.48Å |
| 24 | F | 82.7 | Confident | 91.2 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 18% | 0.18 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -128.4 | 6.1 | -177.2 | -55.7 | -58.6 | 0 | 0 | 0 | 113.6 | G22 K45 V56 | G22-F24 VanDerWaalsContact C-N 3.33Å; G22-F24 PolarHBondContact O-N 2.85Å; F24-K45 PolarHBondContact O-N 3.36Å; F24-V56 HydrophobicContact CB-CG2 3.66Å; F24-V56 HydrophobicContact CD2-CG2 3.96Å; F24-V56 HydrophobicContact CG-CG2 4.12Å |
| 25 | A | 89.6 | Confident | 91.1 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G22 K42 F43 I44 | G22-A25 WeakPolarHBondContact CA-O 3.33Å; G22-A25 PolarHBondContact N-O 3.41Å; A25-K42 HydrophobicContact CB-CG 4.25Å; A25-F43 CarbonylContact C-O 3.47Å; A25-F43 WeakPolarHBondContact CA-O 3.43Å; A25-I44 HydrophobicContact CB-CG1 4.22Å |
| 26 | I | 92.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 61.9 Ų | 61.9 | 33% | 0.328 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.8 | 171.5 | -59.6 | 175.5 | 0 | 0 | 0 | 107.3 | E18 R28 F43 | E18-I26 HydrophobicContact CG-CG2 3.93Å; I26-R28 HydrophobicContact CG2-CG 4.21Å; I26-F43 PolarHBondContact N-O 3.26Å; I26-F43 PolarHBondContact O-N 3.24Å |
| 27 | V | 94.8 | Very high | 91 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | 178.2 | -172 | 0 | 0 | 0 | 0 | 108.6 | L19 G20 A40 A41 K42 | L19-V27 HydrophobicContact CB-CG1 4.31Å; L19-V27 HydrophobicContact CD1-CG1 4.41Å; L19-V27 PolarHBondContact N-O 3.5Å; G20-V27 PolarHBondContact N-O 3.34Å; G20-V27 PolarHBondContact O-N 3.25Å; V27-A40 HydrophobicContact CG1-CB 4.04Å; V27-A41 WeakPolarHBondContact CA-O 3.43Å; V27-K42 HydrophobicContact CG2-CB 4.2Å; V27-K42 HydrophobicContact CG2-CG 4.06Å |
| 28 | R | 96.3 | Very high | 91.2 | Very high | 90 Ų | 90 | 61 Ų | 61 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.5 | 175.7 | -61.8 | -178.1 | 68.7 | 179.4 | 1 | 110.4 | G16 E17 I26 A40 A41 F43 | G16-R28 PolarHBondContact O-NE 3.34Å; G16-R28 PolarHBondContact O-NH2 2.8Å; E17-R28 CarbonylContact O-C 3.52Å; E17-R28 VanDerWaalsContact O-CA 3.26Å; E17-R28 WeakPolarHBondContact O-CA 3.2Å; I26-R28 HydrophobicContact CG2-CG 4.21Å; R28-A40 CarbonylContact O-C 3.5Å; R28-A40 WeakPolarHBondContact O-CA 3.29Å; R28-A41 PolarHBondContact N-O 2.76Å; R28-A41 PolarHBondContact O-N 3.47Å; R28-F43 HydrophobicContact CB-CE2 4.25Å; R28-F43 HydrophobicContact CG-CE2 4.28Å |
| 29 | K | 97.2 | Very high | 91.3 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 21% | 0.213 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 141.2 | 165.5 | -170.8 | 174.3 | -179.6 | 178 | 0 | 108.3 | G16 E17 L19 E38 L95 | G16-K29 WeakPolarHBondContact CA-O 3.4Å; G16-K29 PolarHBondContact N-O 3.27Å; E17-K29 HydrophobicContact CG-CB 4.38Å; E17-K29 PolarHBondContact O-N 2.75Å; L19-K29 HydrophobicContact CD1-CB 4.05Å; L19-K29 HydrophobicContact CD2-CB 4.15Å; L19-K29 HydrophobicContact CG-CB 4.09Å; K29-E38 WeakPolarHBondContact CE-OE1 3.28Å; K29-E38 WeakPolarHBondContact CE-OE2 3.38Å; K29-E38 IonicContact NZ-OE1 3.22Å; K29-E38 PolarHBondContact NZ-OE1 3.45Å; K29-E38 IonicContact NZ-OE2 3.48Å; K29-E38 PolarHBondContact NZ-OE2 2.84Å; K29-L95 HydrophobicContact CD-CD2 4.38Å; K29-L95 HydrophobicContact CG-CD1 4.46Å; K29-L95 HydrophobicContact CG-CD2 4.37Å |
| 30 | C | 97.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 161.3 | 171.5 | 67 | 0 | 0 | 0 | 0 | 111.2 | D14 M15 E38 Y39 A41 | D14-C30 CarbonylContact O-C 3.52Å; D14-C30 WeakPolarHBondContact O-CA 3.22Å; M15-C30 HydrophobicContact CE-CB 4.17Å; M15-C30 HydrophobicContact SD-CB 3.67Å; C30-E38 WeakPolarHBondContact O-CA 3.45Å; C30-Y39 PolarHBondContact N-O 2.81Å; C30-Y39 PolarHBondContact O-N 3.29Å; C30-A41 HydrophobicContact CB-CB 4.27Å |
| 31 | K | 97.8 | Very high | 92.3 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.9 | 179.7 | -170.2 | 179.2 | -175.3 | 178.8 | 0 | 109.7 | Y13 D14 K33 G36 S37 | Y13-K31 CarbonylContact C-O 3.52Å; Y13-K31 VanDerWaalsContact CA-O 3.26Å; Y13-K31 WeakPolarHBondContact CA-O 3.28Å; D14-K31 PolarHBondContact N-O 2.84Å; D14-K31 PolarHBondContact O-N 3.5Å; K31-K33 PolarHBondContact O-N 3.32Å; K31-G36 WeakPolarHBondContact CE-O 3.27Å; K31-S37 CarbonylContact C-O 3.59Å; K31-S37 WeakPolarHBondContact CA-O 3.48Å |
| 32 | E | 97.4 | Very high | 93 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 125.6 | 176.5 | 179.8 | 177.7 | -145.7 | 0 | 0 | 109.8 | Y13 S35 G36 S37 Y39 | Y13-E32 HydrophobicContact CD1-CB 3.9Å; Y13-E32 HydrophobicContact CE1-CB 3.58Å; Y13-E32 HydrophobicContact CE1-CG 4.08Å; E32-S35 VanDerWaalsContact OE2-CB 3.23Å; E32-S35 WeakPolarHBondContact OE2-CB 3.28Å; E32-S35 PolarHBondContact OE2-OG 2.84Å; E32-G36 WeakPolarHBondContact O-CA 3.33Å; E32-G36 PolarHBondContact O-N 2.86Å; E32-S37 PolarHBondContact N-O 3.37Å; E32-Y39 HydrophobicContact CB-CD2 4.14Å; E32-Y39 HydrophobicContact CB-CE2 3.78Å |
| 33 | K | 95.8 | Very high | 94 | Very high | 97 Ų | 97 | 49.5 Ų | 49.5 | 42% | 0.422 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -45.8 | -175.1 | -67.4 | 178 | -173.3 | 170.7 | 0 | 113.3 | E10 V11 F12 D14 K31 | E10-K33 WeakPolarHBondContact O-CE 3.41Å; E10-K33 PolarHBondContact O-NZ 3.29Å; V11-K33 WeakPolarHBondContact O-CD 3.4Å; V11-K33 PolarHBondContact O-NZ 3.1Å; V11-K33 VanDerWaalsContact O-NZ 3.13Å; F12-K33 WeakPolarHBondContact O-CB 3.44Å; F12-K33 PolarHBondContact O-N 2.96Å; D14-K33 WeakPolarHBondContact OD1-CE 3.28Å; D14-K33 IonicContact OD1-NZ 3.66Å; K31-K33 PolarHBondContact O-N 3.32Å |
| 34 | P | 92.4 | Very high | 95 | Very high | 107 Ų | 107 | 47 Ų | 47 | 70% | 0.695 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -45 | 178.5 | -27.1 | 33.5 | 0 | 0 | 0 | 114.8 | ||
| 35 | S | 94.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -22.6 | -172.1 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | E32 S37 | E32-S35 VanDerWaalsContact OE2-CB 3.23Å; E32-S35 WeakPolarHBondContact OE2-CB 3.28Å; E32-S35 PolarHBondContact OE2-OG 2.84Å; S35-S37 PolarHBondContact O-N 3.46Å; S35-S37 WeakPolarHBondContact OG-CB 3.41Å; S35-S37 PolarHBondContact OG-N 2.8Å; S35-S37 PolarHBondContact OG-OG 3.29Å |
| 36 | G | 94.2 | Very high | 95.5 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | 71.3 | 9.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K31 E32 | K31-G36 WeakPolarHBondContact CE-O 3.27Å; E32-G36 WeakPolarHBondContact O-CA 3.33Å; E32-G36 PolarHBondContact O-N 2.86Å | ||
| 37 | S | 96.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | trans | -75.3 | 144.7 | -178.8 | -53 | 0 | 0 | 0 | 0 | 111.2 | K31 E32 S35 Y39 | K31-S37 CarbonylContact C-O 3.59Å; K31-S37 WeakPolarHBondContact CA-O 3.48Å; E32-S37 PolarHBondContact N-O 3.37Å; S35-S37 PolarHBondContact O-N 3.46Å; S35-S37 WeakPolarHBondContact OG-CB 3.41Å; S35-S37 PolarHBondContact OG-N 2.8Å; S35-S37 PolarHBondContact OG-OG 3.29Å; S37-Y39 WeakPolarHBondContact O-CD2 3.28Å | ||
| 38 | E | 97.3 | Very high | 94.5 | Very high | 97 Ų | 97 | 59 Ų | 59 | 45% | 0.453 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.7 | -178.4 | -55.2 | -166.6 | 132.9 | 0 | 0 | 112.1 | K29 C30 L95 | K29-E38 WeakPolarHBondContact CE-OE1 3.28Å; K29-E38 WeakPolarHBondContact CE-OE2 3.38Å; K29-E38 IonicContact NZ-OE1 3.22Å; K29-E38 PolarHBondContact NZ-OE1 3.45Å; K29-E38 IonicContact NZ-OE2 3.48Å; K29-E38 PolarHBondContact NZ-OE2 2.84Å; C30-E38 WeakPolarHBondContact O-CA 3.45Å; E38-L95 HydrophobicContact CB-CD2 3.71Å |
| 39 | Y | 97.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 173.9 | -176.8 | -63.5 | -81.8 | 0 | 0 | 0 | 111 | Y13 C30 E32 S37 H80 I92 L93 | Y13-Y39 HydrophobicContact CD1-CD2 4.44Å; Y13-Y39 AromaticContact CE1-CD2 3.81Å; Y13-Y39 HydrophobicContact CE1-CD2 3.81Å; Y13-Y39 HydrophobicContact CE1-CE2 4.26Å; Y13-Y39 HydrophobicContact CE1-CG 4.48Å; C30-Y39 PolarHBondContact N-O 2.81Å; C30-Y39 PolarHBondContact O-N 3.29Å; E32-Y39 HydrophobicContact CB-CD2 4.14Å; E32-Y39 HydrophobicContact CB-CE2 3.78Å; S37-Y39 WeakPolarHBondContact O-CD2 3.28Å; Y39-H80 HydrophobicContact CD1-CB 4.14Å; Y39-H80 HydrophobicContact CE1-CB 3.95Å; Y39-H80 AromaticContact CE1-CD2 3.73Å; Y39-H80 AromaticContact CE1-CG 3.55Å; Y39-H80 AromaticContact CE1-ND1 3.87Å; Y39-H80 AromaticContact CZ-CD2 3.78Å; Y39-H80 AromaticContact CZ-CE1 3.93Å; Y39-H80 AromaticContact CZ-CG 3.98Å; Y39-H80 AromaticContact CZ-NE2 3.75Å; Y39-H80 PolarHBondContact OH-CE1 3.35Å; Y39-I92 HydrophobicContact CD1-CG2 4.11Å; Y39-I92 HydrophobicContact CD2-CG2 4.44Å; Y39-I92 HydrophobicContact CG-CG2 3.84Å; Y39-L93 WeakPolarHBondContact CA-O 3.4Å; Y39-L93 WeakPolarHBondContact CB-O 3.49Å |
| 40 | A | 97.7 | Very high | 92 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L19 V27 R28 L93 L95 | L19-A40 HydrophobicContact CD1-CB 4.17Å; V27-A40 HydrophobicContact CG1-CB 4.04Å; R28-A40 CarbonylContact O-C 3.5Å; R28-A40 WeakPolarHBondContact O-CA 3.29Å; A40-L93 PolarHBondContact N-O 3.28Å; A40-L93 PolarHBondContact O-N 3.49Å; A40-L95 HydrophobicContact CB-CD1 4.3Å |
| 41 | A | 97.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 109.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | M15 V27 R28 C30 F43 I90 L91 I92 | M15-A41 HydrophobicContact CE-CB 4.48Å; M15-A41 HydrophobicContact SD-CB 4.12Å; V27-A41 WeakPolarHBondContact CA-O 3.43Å; R28-A41 PolarHBondContact N-O 2.76Å; R28-A41 PolarHBondContact O-N 3.47Å; C30-A41 HydrophobicContact CB-CB 4.27Å; A41-F43 HydrophobicContact CB-CD2 4.31Å; A41-F43 HydrophobicContact CB-CE2 3.63Å; A41-F43 HydrophobicContact CB-CZ 4.21Å; A41-F43 WeakPolarHBondContact O-CD2 3.32Å; A41-I90 HydrophobicContact CB-CG2 4.02Å; A41-L91 WeakPolarHBondContact CA-O 3.47Å; A41-I92 HydrophobicContact CB-CD1 3.95Å |
| 42 | K | 96.3 | Very high | 89.3 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 8% | 0.083 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 104.9 | 173.8 | -177.6 | 179.5 | -177.6 | -176.3 | 0 | 109.2 | A25 V27 I44 E64 I90 L91 L93 D161 | A25-K42 HydrophobicContact CB-CG 4.25Å; V27-K42 HydrophobicContact CG2-CB 4.2Å; V27-K42 HydrophobicContact CG2-CG 4.06Å; K42-I44 HydrophobicContact CD-CD1 4.31Å; K42-I44 HydrophobicContact CD-CG1 4.39Å; K42-I44 HydrophobicContact CG-CD1 4.41Å; K42-I44 HydrophobicContact CG-CG1 4.01Å; K42-E64 IonicContact NZ-OE1 3.7Å; K42-E64 PolarHBondContact NZ-OE1 2.92Å; K42-E64 IonicContact NZ-OE2 3.82Å; K42-I90 WeakPolarHBondContact O-CA 3.38Å; K42-L91 HydrophobicContact CB-CB 4.33Å; K42-L91 PolarHBondContact N-O 2.77Å; K42-L91 PolarHBondContact O-N 2.86Å; K42-L93 HydrophobicContact CB-CD1 4.08Å; K42-L93 HydrophobicContact CD-CD1 4.36Å; K42-D161 IonicContact NZ-OD1 2.77Å; K42-D161 PolarHBondContact NZ-OD1 3.21Å |
| 43 | F | 95.3 | Very high | 87.8 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.1 | 176.4 | -65.3 | -99.8 | 0 | 0 | 0 | 109.6 | V9 M15 A25 I26 R28 A41 I90 | V9-F43 HydrophobicContact CG1-CE1 4.48Å; M15-F43 HydrophobicContact CE-CZ 4.25Å; M15-F43 HydrophobicContact SD-CE2 4.19Å; M15-F43 HydrophobicContact SD-CZ 3.82Å; A25-F43 CarbonylContact C-O 3.47Å; A25-F43 WeakPolarHBondContact CA-O 3.43Å; I26-F43 PolarHBondContact N-O 3.26Å; I26-F43 PolarHBondContact O-N 3.24Å; R28-F43 HydrophobicContact CB-CE2 4.25Å; R28-F43 HydrophobicContact CG-CE2 4.28Å; A41-F43 HydrophobicContact CB-CD2 4.31Å; A41-F43 HydrophobicContact CB-CE2 3.63Å; A41-F43 HydrophobicContact CB-CZ 4.21Å; A41-F43 WeakPolarHBondContact O-CD2 3.32Å; F43-I90 HydrophobicContact CD1-CB 4.46Å; F43-I90 HydrophobicContact CD1-CG1 3.46Å; F43-I90 VanDerWaalsContact CD1-CG1 3.46Å; F43-I90 HydrophobicContact CD1-CG2 4.22Å; F43-I90 HydrophobicContact CE1-CG1 3.66Å; F43-I90 HydrophobicContact CE1-CG2 4.13Å; F43-I90 HydrophobicContact CE2-CG2 4.42Å; F43-I90 HydrophobicContact CG-CG1 4.22Å; F43-I90 HydrophobicContact CG-CG2 4.41Å; F43-I90 HydrophobicContact CZ-CG2 4.22Å |
| 44 | I | 93.9 | Very high | 86.8 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.9 | -179.1 | -52.5 | 173 | 0 | 0 | 0 | 109.2 | A25 K42 K46 V56 I61 E64 D88 V89 L91 | A25-I44 HydrophobicContact CB-CG1 4.22Å; K42-I44 HydrophobicContact CD-CD1 4.31Å; K42-I44 HydrophobicContact CD-CG1 4.39Å; K42-I44 HydrophobicContact CG-CD1 4.41Å; K42-I44 HydrophobicContact CG-CG1 4.01Å; I44-K46 PolarHBondContact O-N 3.43Å; I44-V56 HydrophobicContact CG2-CB 4.08Å; I44-V56 HydrophobicContact CG2-CG2 3.82Å; I44-I61 HydrophobicContact CG2-CD1 4.03Å; I44-I61 HydrophobicContact CG2-CG1 3.98Å; I44-E64 WeakPolarHBondContact CD1-OE2 3.38Å; I44-D88 CarbonylContact O-C 3.56Å; I44-D88 VanDerWaalsContact O-CA 3.23Å; I44-D88 WeakPolarHBondContact O-CA 3.29Å; I44-V89 PolarHBondContact N-O 2.88Å; I44-V89 PolarHBondContact O-N 2.98Å; I44-L91 HydrophobicContact CD1-CD1 3.82Å; I44-L91 HydrophobicContact CD1-CG 4.08Å |
| 45 | K | 92 | Very high | 86.3 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.1 | 179.9 | -77 | -177.7 | 178.4 | 177.1 | 0 | 111.3 | F24 G55 V56 D88 | F24-K45 PolarHBondContact O-N 3.36Å; K45-G55 CarbonylContact O-C 3.56Å; K45-G55 WeakPolarHBondContact O-CA 3.47Å; K45-V56 PolarHBondContact O-N 2.87Å; K45-D88 WeakPolarHBondContact CA-OD1 3.42Å; K45-D88 VanDerWaalsContact CG-OD1 3.25Å; K45-D88 WeakPolarHBondContact CG-OD1 3.46Å |
| 46 | K | 90.9 | Very high | 85.8 | Confident | 44 Ų | 44 | 73 Ų | 73 | 19% | 0.191 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -75.1 | 133.7 | 174.9 | -66.8 | -169.3 | -76.7 | -179 | 0 | 111.7 | I44 R48 I61 E84 N85 K86 T87 V89 | I44-K46 PolarHBondContact O-N 3.43Å; K46-R48 PolarHBondContact O-N 2.88Å; K46-I61 HydrophobicContact CG-CD1 4.04Å; K46-E84 IonicContact NZ-OE1 3.38Å; K46-E84 PolarHBondContact NZ-OE1 3.47Å; K46-N85 WeakPolarHBondContact CE-O 3.45Å; K46-N85 PolarHBondContact NZ-O 3.42Å; K46-K86 WeakPolarHBondContact CE-O 3.29Å; K46-T87 WeakPolarHBondContact CB-O 3.05Å; K46-T87 PolarHBondContact N-O 3.48Å; K46-V89 HydrophobicContact CD-CG2 3.9Å; K46-V89 HydrophobicContact CG-CG2 4.01Å |
| 47 | R | 88.3 | Confident | 85.5 | Confident | 59 Ų | 59 | 72.2 Ų | 72.2 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 119.7 | 168.6 | -178.8 | 153.4 | 36.1 | 166.2 | -17.4 | 109.5 | L49 S52 V56 S57 E60 | R47-L49 WeakPolarHBondContact CG-O 3.49Å; R47-S52 WeakPolarHBondContact CD-O 3.31Å; R47-V56 WeakPolarHBondContact CB-O 3.46Å; R47-V56 PolarHBondContact N-O 3.44Å; R47-S57 VanDerWaalsContact NH2-N 3.18Å; R47-E60 IonicContact NH2-OE2 2.79Å; R47-E60 PolarHBondContact NH2-OE2 3.04Å |
| 48 | R | 78.3 | Confident | 85.1 | Confident | 196 Ų | 196 | 76.2 Ų | 76.2 | 74% | 0.74 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -84.6 | -29.7 | -174.8 | -66.6 | -169.7 | -178.1 | -171 | 4.3 | 114.3 | K46 | K46-R48 PolarHBondContact O-N 2.88Š|
| 49 | L | 73.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 77.5 Ų | 77.5 | 62% | 0.618 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -136.1 | 144.7 | 179.1 | -67.4 | 166.4 | 0 | 0 | 0 | 107.5 | R47 S51 S52 | R47-L49 WeakPolarHBondContact CG-O 3.49Å; L49-S51 PolarHBondContact O-N 2.85Å; L49-S52 WeakPolarHBondContact O-CB 3.39Å; L49-S52 PolarHBondContact O-N 3.39Å |
| 50 | S | 67.4 | Low | 84.3 | Confident | 119 Ų | 119 | 78 Ų | 78 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.1 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | S52 | S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.32Å |
| 51 | S | 68.3 | Low | 84 | Confident | 102 Ų | 102 | 77.9 Ų | 77.9 | 71% | 0.713 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -3.8 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | L49 R53 | L49-S51 PolarHBondContact O-N 2.85Å; S51-R53 PolarHBondContact O-N 2.79Å |
| 52 | S | 70.7 | Confident | 83.7 | Confident | 43 Ų | 43 | 80.7 Ų | 80.7 | 30% | 0.301 | 38% | 0.377 | S | S | . | . | trans | -76.9 | 128.2 | -178.6 | -163.3 | 0 | 0 | 0 | 0 | 111 | R47 L49 S50 R54 | R47-S52 WeakPolarHBondContact CD-O 3.31Å; L49-S52 WeakPolarHBondContact O-CB 3.39Å; L49-S52 PolarHBondContact O-N 3.39Å; S50-S52 VanDerWaalsContact C-N 3.29Å; S50-S52 PolarHBondContact O-N 3.32Å; S52-R54 PolarHBondContact O-N 2.82Å | ||
| 53 | R | 66.1 | Low | 83.6 | Confident | 214 Ų | 214 | 83.6 Ų | 83.6 | 81% | 0.808 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -76.7 | 5.2 | 173.5 | -59.2 | -176.9 | -179.2 | -177.6 | -1.4 | 113.9 | S51 | S51-R53 PolarHBondContact O-N 2.79Š|
| 54 | R | 74.4 | Confident | 83.5 | Confident | 208 Ų | 208 | 82.5 Ų | 82.5 | 79% | 0.785 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -124.2 | 127.5 | -175.9 | -69.6 | -175.8 | -178.6 | 166 | 0.3 | 110.7 | S52 | S52-R54 PolarHBondContact O-N 2.82Š|
| 55 | G | 80.9 | Confident | 83.6 | Confident | 5 Ų | 5 | 82.3 Ų | 82.3 | 5% | 0.052 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 95.8 | 166.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | K45 | K45-G55 CarbonylContact O-C 3.56Å; K45-G55 WeakPolarHBondContact O-CA 3.47Å |
| 56 | V | 84.7 | Confident | 83.7 | Confident | 28 Ų | 28 | 80.3 Ų | 80.3 | 17% | 0.17 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 146 | -177.1 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | F24 I44 K45 R47 E60 I61 | F24-V56 HydrophobicContact CB-CG2 3.66Å; F24-V56 HydrophobicContact CD2-CG2 3.96Å; F24-V56 HydrophobicContact CG-CG2 4.12Å; I44-V56 HydrophobicContact CG2-CB 4.08Å; I44-V56 HydrophobicContact CG2-CG2 3.82Å; K45-V56 PolarHBondContact O-N 2.87Å; R47-V56 WeakPolarHBondContact CB-O 3.46Å; R47-V56 PolarHBondContact N-O 3.44Å; V56-E60 HydrophobicContact CG1-CB 3.53Å; V56-E60 HydrophobicContact CG1-CG 4.41Å; V56-E60 WeakPolarHBondContact CG1-OE2 3.43Å; V56-I61 HydrophobicContact CB-CD1 4.17Å; V56-I61 HydrophobicContact CB-CG1 4Å; V56-I61 HydrophobicContact CG1-CD1 4.49Å; V56-I61 HydrophobicContact CG1-CG1 3.81Å |
| 57 | S | 87.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 12% | 0.119 | 37% | 0.369 | C | S | . | . | trans | -66.9 | 158.2 | 178.3 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | R47 E59 E60 I61 | R47-S57 VanDerWaalsContact NH2-N 3.18Å; S57-E59 WeakPolarHBondContact CB-OE2 3.43Å; S57-E59 PolarHBondContact O-N 3Å; S57-E59 PolarHBondContact OG-OE2 2.81Å; S57-E60 PolarHBondContact N-OE2 3.26Å; S57-E60 PolarHBondContact O-N 3.14Å; S57-E60 VanDerWaalsContact OG-CG 3.26Å; S57-E60 WeakPolarHBondContact OG-CG 3.27Å; S57-E60 PolarHBondContact OG-N 2.96Å; S57-E60 PolarHBondContact OG-OE2 2.93Å; S57-E60 VanDerWaalsContact OG-OE2 3.11Å; S57-I61 WeakPolarHBondContact O-CG1 3.36Å; S57-I61 PolarHBondContact O-N 3.5Å; S57-I61 VanDerWaalsContact O-N 3.15Å | ||
| 58 | R | 87.8 | Confident | 84.3 | Confident | 133 Ų | 133 | 76 Ų | 76 | 50% | 0.502 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.4 | -175 | 175 | -176.7 | 135.8 | 17 | 111 | E60 I61 E62 E84 | R58-E60 VanDerWaalsContact C-N 3.34Å; R58-E60 PolarHBondContact O-N 3.42Å; R58-I61 PolarHBondContact O-N 3.39Å; R58-E62 HydrophobicContact CG-CG 4.28Å; R58-E62 IonicContact CZ-OE1 3.98Å; R58-E62 IonicContact NE-OE1 2.99Å; R58-E62 PolarHBondContact NE-OE1 2.82Å; R58-E62 IonicContact NH2-OE1 2.72Å; R58-E62 WeakPolarHBondContact O-CB 3.41Å; R58-E62 WeakPolarHBondContact O-CG 3.37Å; R58-E62 PolarHBondContact O-N 2.92Å; R58-E84 IonicContact NH2-OE2 2.82Å |
| 59 | E | 88.7 | Confident | 85.1 | Confident | 123 Ų | 123 | 71.8 Ų | 71.8 | 58% | 0.575 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | -179.4 | -60.2 | 74 | -158 | 0 | 0 | 112 | S57 R63 | S57-E59 WeakPolarHBondContact CB-OE2 3.43Å; S57-E59 PolarHBondContact O-N 3Å; S57-E59 PolarHBondContact OG-OE2 2.81Å; E59-R63 WeakPolarHBondContact O-CB 3.49Å; E59-R63 PolarHBondContact O-N 3.27Å |
| 60 | E | 89.6 | Confident | 86 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -45.6 | 175.5 | -73.1 | 166.9 | 147.7 | 0 | 0 | 111.4 | R47 V56 S57 R58 R63 E64 | R47-E60 IonicContact NH2-OE2 2.79Å; R47-E60 PolarHBondContact NH2-OE2 3.04Å; V56-E60 HydrophobicContact CG1-CB 3.53Å; V56-E60 HydrophobicContact CG1-CG 4.41Å; V56-E60 WeakPolarHBondContact CG1-OE2 3.43Å; S57-E60 PolarHBondContact N-OE2 3.26Å; S57-E60 PolarHBondContact O-N 3.14Å; S57-E60 VanDerWaalsContact OG-CG 3.26Å; S57-E60 WeakPolarHBondContact OG-CG 3.27Å; S57-E60 PolarHBondContact OG-N 2.96Å; S57-E60 PolarHBondContact OG-OE2 2.93Å; S57-E60 VanDerWaalsContact OG-OE2 3.11Å; R58-E60 VanDerWaalsContact C-N 3.34Å; R58-E60 PolarHBondContact O-N 3.42Å; E60-R63 WeakPolarHBondContact O-CB 3.38Å; E60-R63 PolarHBondContact O-N 3.03Å; E60-E64 PolarHBondContact O-N 3.05Å |
| 61 | I | 91.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 177.5 | -62.5 | 166.9 | 0 | 0 | 0 | 110.7 | I44 K46 V56 S57 R58 R63 E64 V65 V89 | I44-I61 HydrophobicContact CG2-CD1 4.03Å; I44-I61 HydrophobicContact CG2-CG1 3.98Å; K46-I61 HydrophobicContact CG-CD1 4.04Å; V56-I61 HydrophobicContact CB-CD1 4.17Å; V56-I61 HydrophobicContact CB-CG1 4Å; V56-I61 HydrophobicContact CG1-CD1 4.49Å; V56-I61 HydrophobicContact CG1-CG1 3.81Å; S57-I61 WeakPolarHBondContact O-CG1 3.36Å; S57-I61 PolarHBondContact O-N 3.5Å; S57-I61 VanDerWaalsContact O-N 3.15Å; R58-I61 PolarHBondContact O-N 3.39Å; I61-R63 VanDerWaalsContact C-N 3.26Å; I61-R63 PolarHBondContact O-N 3.26Å; I61-E64 PolarHBondContact O-N 3.31Å; I61-V65 HydrophobicContact CG2-CG2 4.45Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.45Å; I61-V65 PolarHBondContact O-N 3.02Å; I61-V89 HydrophobicContact CD1-CG2 4.25Å; I61-V89 HydrophobicContact CG2-CB 3.82Å; I61-V89 HydrophobicContact CG2-CG1 3.74Å; I61-V89 HydrophobicContact CG2-CG2 3.84Å |
| 62 | E | 92.1 | Very high | 88.6 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 28% | 0.28 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -34.6 | 177.5 | -75.5 | -179.4 | -177.2 | 0 | 0 | 111.6 | F4 R58 N66 | F4-E62 HydrophobicContact CE2-CG 4.16Å; F4-E62 HydrophobicContact CZ-CG 4Å; R58-E62 HydrophobicContact CG-CG 4.28Å; R58-E62 IonicContact CZ-OE1 3.98Å; R58-E62 IonicContact NE-OE1 2.99Å; R58-E62 PolarHBondContact NE-OE1 2.82Å; R58-E62 IonicContact NH2-OE1 2.72Å; R58-E62 WeakPolarHBondContact O-CB 3.41Å; R58-E62 WeakPolarHBondContact O-CG 3.37Å; R58-E62 PolarHBondContact O-N 2.92Å; E62-N66 VanDerWaalsContact O-CB 3.31Å; E62-N66 WeakPolarHBondContact O-CB 3.25Å; E62-N66 PolarHBondContact O-N 3.43Å; E62-N66 PolarHBondContact O-ND2 2.83Å |
| 63 | R | 93.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 68.5 Ų | 68.5 | 30% | 0.302 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -51.1 | 174 | -172.3 | -170.1 | -54.4 | 144.8 | 5.3 | 111.8 | E59 E60 I61 V65 N66 I67 A165 | E59-R63 WeakPolarHBondContact O-CB 3.49Å; E59-R63 PolarHBondContact O-N 3.27Å; E60-R63 WeakPolarHBondContact O-CB 3.38Å; E60-R63 PolarHBondContact O-N 3.03Å; I61-R63 VanDerWaalsContact C-N 3.26Å; I61-R63 PolarHBondContact O-N 3.26Å; R63-V65 VanDerWaalsContact C-N 3.3Å; R63-V65 PolarHBondContact O-N 3.42Å; R63-N66 PolarHBondContact O-N 2.73Å; R63-I67 HydrophobicContact CG-CD1 4.14Å; R63-I67 WeakPolarHBondContact O-CG1 3.32Å; R63-I67 PolarHBondContact O-N 2.98Å; R63-A165 WeakPolarHBondContact CD-O 3.37Å |
| 64 | E | 94.1 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 177 | -180 | 176.6 | -171.8 | 0 | 0 | 110.4 | K42 I44 E60 I61 N66 I67 L68 L91 F162 | K42-E64 IonicContact NZ-OE1 3.7Å; K42-E64 PolarHBondContact NZ-OE1 2.92Å; K42-E64 IonicContact NZ-OE2 3.82Å; I44-E64 WeakPolarHBondContact CD1-OE2 3.38Å; E60-E64 PolarHBondContact O-N 3.05Å; I61-E64 PolarHBondContact O-N 3.31Å; E64-N66 PolarHBondContact O-N 3.26Å; E64-I67 PolarHBondContact O-N 2.95Å; E64-L68 HydrophobicContact CG-CD1 3.89Å; E64-L68 HydrophobicContact CG-CG 4.44Å; E64-L68 WeakPolarHBondContact O-CB 3.39Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 3.46Å; E64-L91 HydrophobicContact CG-CD1 4.37Å; E64-F162 HydrophobicContact CG-CB 4.22Å |
| 65 | V | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 178 | 163.8 | 0 | 0 | 0 | 0 | 112.5 | F4 I61 R63 L68 R69 I82 L91 | F4-V65 HydrophobicContact CE1-CG1 4.47Å; F4-V65 HydrophobicContact CE1-CG2 4.11Å; F4-V65 HydrophobicContact CZ-CG1 4.38Å; F4-V65 HydrophobicContact CZ-CG2 4.41Å; I61-V65 HydrophobicContact CG2-CG2 4.45Å; I61-V65 WeakPolarHBondContact O-CB 3.43Å; I61-V65 WeakPolarHBondContact O-CG2 3.45Å; I61-V65 PolarHBondContact O-N 3.02Å; R63-V65 VanDerWaalsContact C-N 3.3Å; R63-V65 PolarHBondContact O-N 3.42Å; V65-L68 PolarHBondContact O-N 3.45Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 2.86Å; V65-I82 HydrophobicContact CG1-CD1 3.54Å; V65-I82 HydrophobicContact CG2-CD1 4.47Å; V65-L91 HydrophobicContact CG2-CD2 3.57Å |
| 66 | N | 94.8 | Very high | 93.3 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.1 | -41.6 | -178.3 | -70.2 | -26.4 | 0 | 0 | 0 | 111.1 | E62 R63 E64 R69 E70 | E62-N66 VanDerWaalsContact O-CB 3.31Å; E62-N66 WeakPolarHBondContact O-CB 3.25Å; E62-N66 PolarHBondContact O-N 3.43Å; E62-N66 PolarHBondContact O-ND2 2.83Å; R63-N66 PolarHBondContact O-N 2.73Å; E64-N66 PolarHBondContact O-N 3.26Å; N66-R69 PolarHBondContact O-N 3.24Å; N66-E70 WeakPolarHBondContact O-CG 3.46Å; N66-E70 PolarHBondContact O-N 2.85Å |
| 67 | I | 95.9 | Very high | 94 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -51.5 | 174.2 | -72.1 | 171.6 | 0 | 0 | 0 | 110.3 | R63 E64 R69 E70 I71 I135 F162 A165 | R63-I67 HydrophobicContact CG-CD1 4.14Å; R63-I67 WeakPolarHBondContact O-CG1 3.32Å; R63-I67 PolarHBondContact O-N 2.98Å; E64-I67 PolarHBondContact O-N 2.95Å; I67-R69 PolarHBondContact O-N 3.33Å; I67-E70 PolarHBondContact O-N 3.49Å; I67-I71 HydrophobicContact CG2-CD1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 WeakPolarHBondContact O-CG2 3.41Å; I67-I71 PolarHBondContact O-N 3.01Å; I67-I135 HydrophobicContact CD1-CG2 4.46Å; I67-I135 HydrophobicContact CG2-CD1 4.3Å; I67-I135 HydrophobicContact CG2-CG2 4.07Å; I67-F162 HydrophobicContact CG2-CD1 3.75Å; I67-F162 HydrophobicContact CG2-CE1 4.39Å; I67-A165 HydrophobicContact CD1-CB 3.81Å; I67-A165 VanDerWaalsContact CD1-O 3.3Å; I67-A165 WeakPolarHBondContact CD1-O 3.48Å; I67-A165 HydrophobicContact CG2-CB 4.46Å |
| 68 | L | 96 | Very high | 94.4 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -29.3 | -178.5 | -75.9 | 175.7 | 0 | 0 | 0 | 113.5 | E64 V65 I71 I77 L79 L91 L93 F162 | E64-L68 HydrophobicContact CG-CD1 3.89Å; E64-L68 HydrophobicContact CG-CG 4.44Å; E64-L68 WeakPolarHBondContact O-CB 3.39Å; E64-L68 WeakPolarHBondContact O-CG 3.49Å; E64-L68 PolarHBondContact O-N 3.46Å; V65-L68 PolarHBondContact O-N 3.45Å; L68-I71 HydrophobicContact CD2-CD1 3.86Å; L68-I77 HydrophobicContact CD2-CG2 4.12Å; L68-L79 HydrophobicContact CB-CB 3.98Å; L68-L79 HydrophobicContact CB-CD2 3.84Å; L68-L79 HydrophobicContact CB-CG 4.46Å; L68-L91 HydrophobicContact CD1-CD1 3.94Å; L68-L93 HydrophobicContact CD1-CD2 4.24Å; L68-F162 HydrophobicContact CD2-CB 4.1Å; L68-F162 HydrophobicContact CD2-CD2 3.72Å; L68-F162 HydrophobicContact CD2-CE2 4.38Å; L68-F162 HydrophobicContact CD2-CG 3.9Å; L68-F162 HydrophobicContact CG-CB 4.25Å |
| 69 | R | 94.4 | Very high | 94.8 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 40% | 0.404 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.8 | -31.6 | 174.8 | -79.7 | 177.6 | 167.3 | 155.7 | -2.8 | 113.7 | G3 V65 N66 I67 L79 | G3-R69 PolarHBondContact O-NH2 3.42Å; V65-R69 WeakPolarHBondContact O-CG 3.34Å; V65-R69 PolarHBondContact O-N 2.86Å; N66-R69 PolarHBondContact O-N 3.24Å; I67-R69 PolarHBondContact O-N 3.33Å; R69-L79 HydrophobicContact CG-CD2 3.8Å |
| 70 | E | 93.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 45.1 Ų | 45.1 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -86.7 | -13.5 | -176.1 | -71.3 | -177.1 | -170.3 | 0 | 0 | 113.5 | N66 I67 K133 | N66-E70 WeakPolarHBondContact O-CG 3.46Å; N66-E70 PolarHBondContact O-N 2.85Å; I67-E70 PolarHBondContact O-N 3.49Å; E70-K133 WeakPolarHBondContact O-CE 3.44Å; E70-K133 PolarHBondContact O-NZ 3.24Å |
| 71 | I | 95.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | trans | -101.4 | 135.4 | -176.9 | 68 | -175.7 | 0 | 0 | 0 | 111.2 | I67 L68 I76 Y129 L130 K133 I135 F162 | I67-I71 HydrophobicContact CG2-CD1 4.33Å; I67-I71 WeakPolarHBondContact O-CG1 3.41Å; I67-I71 WeakPolarHBondContact O-CG2 3.41Å; I67-I71 PolarHBondContact O-N 3.01Å; L68-I71 HydrophobicContact CD2-CD1 3.86Å; I71-I76 HydrophobicContact CD1-CG2 3.63Å; I71-I76 HydrophobicContact CG1-CG2 4.34Å; I71-Y129 HydrophobicContact CB-CE1 3.87Å; I71-Y129 HydrophobicContact CG2-CE1 4.1Å; I71-L130 HydrophobicContact CD1-CD2 4.47Å; I71-L130 HydrophobicContact CG2-CD2 3.91Å; I71-K133 HydrophobicContact CG2-CD 4.43Å; I71-I135 HydrophobicContact CG2-CD1 3.9Å; I71-F162 HydrophobicContact CD1-CD1 4.13Å; I71-F162 HydrophobicContact CD1-CE1 3.73Å; I71-F162 HydrophobicContact CD1-CE2 4.23Å; I71-F162 HydrophobicContact CD1-CZ 3.79Å | ||
| 72 | Q | 95.8 | Very high | 95.7 | Very high | 158 Ų | 158 | 44.5 Ų | 44.5 | 74% | 0.738 | 21% | 0.214 | S | C | * | . | trans | -150.9 | 99.5 | 174.4 | -172 | 176.4 | 23.7 | 0 | 0 | 107 | Y129 | Q72-Y129 PolarHBondContact N-OH 3.37Å; Q72-Y129 PolarHBondContact O-OH 3.21Å | ||
| 73 | H | 97.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.222 | 20% | 0.201 | C | C | . | . | trans | -146.7 | 146.3 | -178.4 | -173.5 | -103 | 0 | 0 | 0 | 110.4 | N75 I76 Y129 | H73-N75 PolarHBondContact CE1-OD1 2.95Å; H73-N75 PolarHBondContact ND1-N 3.23Å; H73-N75 VanDerWaalsContact ND1-N 3.14Å; H73-N75 PolarHBondContact O-N 3.43Å; H73-N75 VanDerWaalsContact O-N 3.15Å; H73-I76 HydrophobicContact CB-CB 4.23Å; H73-I76 HydrophobicContact CB-CD1 3.8Å; H73-I76 HydrophobicContact CB-CG1 3.99Å; H73-I76 PolarHBondContact O-N 2.93Å; H73-I76 VanDerWaalsContact O-N 3.09Å; H73-I76 VanDerWaalsContact O-O 3.09Å; H73-Y129 HydrophobicContact CB-CD1 3.68Å; H73-Y129 HydrophobicContact CB-CD2 4.17Å; H73-Y129 HydrophobicContact CB-CE1 3.98Å; H73-Y129 HydrophobicContact CB-CE2 4.42Å; H73-Y129 HydrophobicContact CB-CG 3.77Å; H73-Y129 AromaticContact CD2-CD2 3.92Å; H73-Y129 AromaticContact CD2-CG 3.94Å; H73-Y129 AromaticContact CG-CG 3.88Å | ||
| 74 | S | 97 | Very high | 96 | Very high | 51 Ų | 51 | 38.5 Ų | 38.5 | 36% | 0.357 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.5 | -174 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | R156 K158 | S74-R156 VanDerWaalsContact O-CD 3.29Å; S74-R156 WeakPolarHBondContact O-CD 3.45Å; S74-R156 PolarHBondContact OG-NH1 2.93Å; S74-K158 WeakPolarHBondContact O-CE 3.5Å; S74-K158 PolarHBondContact O-NZ 3.42Å |
| 75 | N | 98.1 | Very high | 95.8 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 12.5 | 177.7 | -62.1 | 109.1 | 0 | 0 | 0 | 114.6 | H73 Q122 I157 L159 | H73-N75 PolarHBondContact CE1-OD1 2.95Å; H73-N75 PolarHBondContact ND1-N 3.23Å; H73-N75 VanDerWaalsContact ND1-N 3.14Å; H73-N75 PolarHBondContact O-N 3.43Å; H73-N75 VanDerWaalsContact O-N 3.15Å; N75-Q122 WeakPolarHBondContact CB-O 3.5Å; N75-Q122 PolarHBondContact ND2-OE1 2.93Å; N75-I157 VanDerWaalsContact CA-O 3.23Å; N75-I157 WeakPolarHBondContact CA-O 3.29Å; N75-I157 PolarHBondContact ND2-O 3.28Å; N75-L159 WeakPolarHBondContact O-CG 3.47Å; N75-L159 PolarHBondContact O-N 3.37Å |
| 76 | I | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -125.3 | 147 | 179 | -57.2 | 176.8 | 0 | 0 | 0 | 108.3 | I71 H73 Y129 L130 K158 F162 | I71-I76 HydrophobicContact CD1-CG2 3.63Å; I71-I76 HydrophobicContact CG1-CG2 4.34Å; H73-I76 HydrophobicContact CB-CB 4.23Å; H73-I76 HydrophobicContact CB-CD1 3.8Å; H73-I76 HydrophobicContact CB-CG1 3.99Å; H73-I76 PolarHBondContact O-N 2.93Å; H73-I76 VanDerWaalsContact O-N 3.09Å; H73-I76 VanDerWaalsContact O-O 3.09Å; I76-Y129 HydrophobicContact CD1-CD1 3.64Å; I76-Y129 HydrophobicContact CD1-CE1 4.37Å; I76-Y129 HydrophobicContact CD1-CG 4.45Å; I76-L130 HydrophobicContact CD1-CD1 4.32Å; I76-L130 HydrophobicContact CD1-CD2 3.68Å; I76-L130 HydrophobicContact CD1-CG 3.71Å; I76-K158 VanDerWaalsContact O-CD 3.3Å; I76-K158 WeakPolarHBondContact O-CD 3.3Å; I76-K158 PolarHBondContact O-NZ 3.44Å; I76-F162 HydrophobicContact CG2-CE1 4.48Å; I76-F162 HydrophobicContact CG2-CE2 3.66Å; I76-F162 HydrophobicContact CG2-CZ 3.42Å; I76-F162 VanDerWaalsContact CG2-CZ 3.42Å |
| 77 | I | 97.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 140.4 | 174.6 | -164.5 | 159.6 | 0 | 0 | 0 | 111.2 | L68 L93 E94 V96 L159 I160 F162 | L68-I77 HydrophobicContact CD2-CG2 4.12Å; I77-L93 HydrophobicContact CD1-CB 3.95Å; I77-L93 HydrophobicContact CD1-CD1 4.05Å; I77-L93 HydrophobicContact CD1-CG 4.46Å; I77-L93 HydrophobicContact CG1-CB 4.24Å; I77-E94 HydrophobicContact CG1-CB 4.4Å; I77-V96 HydrophobicContact CD1-CG2 4.39Å; I77-L159 PolarHBondContact N-O 3.45Å; I77-I160 HydrophobicContact CB-CG2 4.21Å; I77-I160 HydrophobicContact CD1-CB 4.37Å; I77-I160 HydrophobicContact CD1-CG2 3.9Å; I77-F162 HydrophobicContact CG2-CD2 4.15Å; I77-F162 HydrophobicContact CG2-CE2 4.01Å |
| 78 | T | 96.8 | Very high | 95.2 | Very high | 52 Ų | 52 | 50 Ų | 50 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -100.8 | 130.9 | -179.5 | -44.1 | 0 | 0 | 0 | 0 | 110 | L93 E94 | T78-L93 WeakPolarHBondContact O-CA 3.29Å; T78-E94 WeakPolarHBondContact CB-OE2 3.5Å; T78-E94 PolarHBondContact N-OE2 2.92Å; T78-E94 PolarHBondContact O-N 3.3Å; T78-E94 PolarHBondContact OG1-OE2 3.27Å |
| 79 | L | 97.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.3 | 168.8 | 175.4 | 72.3 | 0 | 0 | 0 | 110.1 | L68 R69 I82 L91 L93 | L68-L79 HydrophobicContact CB-CB 3.98Å; L68-L79 HydrophobicContact CB-CD2 3.84Å; L68-L79 HydrophobicContact CB-CG 4.46Å; R69-L79 HydrophobicContact CG-CD2 3.8Å; L79-I82 HydrophobicContact CD1-CG1 3.93Å; L79-I82 HydrophobicContact CD2-CD1 3.8Å; L79-I82 HydrophobicContact CD2-CG1 3.94Å; L79-I82 HydrophobicContact CG-CG1 4.3Å; L79-L91 HydrophobicContact CD1-CB 4.08Å; L79-L93 HydrophobicContact CB-CD2 4.18Å; L79-L93 HydrophobicContact CD1-CD2 3.75Å |
| 80 | H | 95.9 | Very high | 95.3 | Very high | 86 Ų | 86 | 45 Ų | 45 | 40% | 0.398 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -52 | -177.5 | -179.9 | 66.2 | 0 | 0 | 0 | 112.6 | Y13 Y39 I92 | Y13-H80 PolarHBondContact OH-CD2 3.49Å; Y13-H80 PolarHBondContact OH-NE2 2.86Å; Y39-H80 HydrophobicContact CD1-CB 4.14Å; Y39-H80 HydrophobicContact CE1-CB 3.95Å; Y39-H80 AromaticContact CE1-CD2 3.73Å; Y39-H80 AromaticContact CE1-CG 3.55Å; Y39-H80 AromaticContact CE1-ND1 3.87Å; Y39-H80 AromaticContact CZ-CD2 3.78Å; Y39-H80 AromaticContact CZ-CE1 3.93Å; Y39-H80 AromaticContact CZ-CG 3.98Å; Y39-H80 AromaticContact CZ-NE2 3.75Å; Y39-H80 PolarHBondContact OH-CE1 3.35Å; H80-I92 WeakPolarHBondContact CA-O 3.45Å; H80-I92 HydrophobicContact CB-CB 4.49Å; H80-I92 HydrophobicContact CB-CG2 4.19Å; H80-I92 WeakPolarHBondContact CB-O 3.47Å; H80-I92 PolarHBondContact N-O 3.44Å |
| 81 | D | 95.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 164.7 | -179.1 | -158 | -0.2 | 0 | 0 | 0 | 110.8 | R5 F83 I92 | R5-D81 VanDerWaalsContact CD-OD1 3.3Å; R5-D81 WeakPolarHBondContact CD-OD1 3.41Å; R5-D81 WeakPolarHBondContact CD-OD2 3.43Å; R5-D81 IonicContact CZ-OD2 2.68Å; R5-D81 IonicContact NH1-OD2 3.77Å; R5-D81 PolarHBondContact NH1-OD2 3.15Å; D81-F83 HydrophobicContact CB-CE2 4.06Å; D81-F83 VanDerWaalsContact OD2-CE2 3.29Å; D81-F83 WeakPolarHBondContact OD2-CE2 3.5Å; D81-F83 WeakPolarHBondContact OD2-CZ 3.31Å; D81-I92 HydrophobicContact CB-CB 4.05Å; D81-I92 HydrophobicContact CB-CG1 4.05Å; D81-I92 PolarHBondContact N-O 3.29Å; D81-I92 PolarHBondContact O-N 2.9Å |
| 82 | I | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 127.2 | -178.7 | -54.2 | 153.8 | 0 | 0 | 0 | 110.6 | F4 R5 V65 L79 V89 I90 L91 | F4-I82 HydrophobicContact CD1-CG2 3.36Å; F4-I82 HydrophobicContact CE1-CG2 3.65Å; F4-I82 HydrophobicContact CG-CG2 4.44Å; R5-I82 WeakPolarHBondContact CB-O 3.46Å; R5-I82 WeakPolarHBondContact CG-O 3.37Å; R5-I82 PolarHBondContact N-O 2.93Å; V65-I82 HydrophobicContact CG1-CD1 3.54Å; V65-I82 HydrophobicContact CG2-CD1 4.47Å; L79-I82 HydrophobicContact CD1-CG1 3.93Å; L79-I82 HydrophobicContact CD2-CD1 3.8Å; L79-I82 HydrophobicContact CD2-CG1 3.94Å; L79-I82 HydrophobicContact CG-CG1 4.3Å; I82-V89 HydrophobicContact CG2-CG1 4.19Å; I82-I90 WeakPolarHBondContact CA-O 3.32Å; I82-L91 HydrophobicContact CG1-CD2 4.24Å; I82-L91 HydrophobicContact CG2-CD2 3.95Å |
| 83 | F | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 153.2 | 173.9 | -62.6 | -99.9 | 0 | 0 | 0 | 110.9 | R5 E7 V9 F12 Y13 D81 I90 I92 | R5-F83 HydrophobicContact CB-CD1 3.69Å; R5-F83 HydrophobicContact CB-CE1 3.94Å; R5-F83 HydrophobicContact CB-CG 4.25Å; R5-F83 CarbonylContact O-C 3.57Å; R5-F83 WeakPolarHBondContact O-CA 3.44Å; E7-F83 WeakPolarHBondContact O-CD1 3.36Å; V9-F83 HydrophobicContact CB-CB 4.22Å; V9-F83 HydrophobicContact CB-CD1 4.09Å; V9-F83 HydrophobicContact CB-CD2 4.21Å; V9-F83 HydrophobicContact CB-CG 3.91Å; V9-F83 HydrophobicContact CG2-CD1 4.42Å; V9-F83 HydrophobicContact CG2-CD2 3.76Å; V9-F83 HydrophobicContact CG2-CE2 4.02Å; V9-F83 HydrophobicContact CG2-CG 3.99Å; V9-F83 HydrophobicContact CG2-CZ 4.44Å; F12-F83 HydrophobicContact CB-CZ 4.36Å; F12-F83 AromaticContact CD2-CE1 3.74Å; F12-F83 HydrophobicContact CD2-CE1 3.74Å; F12-F83 HydrophobicContact CD2-CZ 4.07Å; F12-F83 HydrophobicContact CE2-CE1 4.22Å; F12-F83 HydrophobicContact CG-CE1 4.45Å; F12-F83 HydrophobicContact CG-CZ 4.33Å; Y13-F83 HydrophobicContact CD2-CE2 4.23Å; Y13-F83 HydrophobicContact CD2-CZ 4.32Å; Y13-F83 AromaticContact CE2-CE2 3.7Å; Y13-F83 HydrophobicContact CE2-CE2 3.7Å; Y13-F83 AromaticContact CE2-CZ 3.85Å; Y13-F83 HydrophobicContact CE2-CZ 3.85Å; D81-F83 HydrophobicContact CB-CE2 4.06Å; D81-F83 VanDerWaalsContact OD2-CE2 3.29Å; D81-F83 WeakPolarHBondContact OD2-CE2 3.5Å; D81-F83 WeakPolarHBondContact OD2-CZ 3.31Å; F83-I90 HydrophobicContact CB-CB 4.22Å; F83-I90 HydrophobicContact CB-CD1 4.06Å; F83-I90 PolarHBondContact N-O 3.14Å; F83-I90 PolarHBondContact O-N 2.89Å; F83-I92 HydrophobicContact CD2-CD1 4.38Å; F83-I92 HydrophobicContact CD2-CG1 3.96Å; F83-I92 HydrophobicContact CE2-CD1 4.47Å; F83-I92 HydrophobicContact CE2-CG1 3.86Å |
| 84 | E | 94.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 32.7 Ų | 32.7 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129 | 172.7 | 179.3 | 178.3 | -165.8 | 0 | 0 | 108.8 | F4 R5 Q6 K46 R58 V89 | F4-E84 HydrophobicContact CB-CB 3.8Å; F4-E84 HydrophobicContact CD1-CB 4.18Å; F4-E84 HydrophobicContact CG-CB 4.24Å; R5-E84 PolarHBondContact O-N 3.44Å; Q6-E84 PolarHBondContact NE2-OE2 3.48Å; Q6-E84 PolarHBondContact OE1-O 3.21Å; K46-E84 IonicContact NZ-OE1 3.38Å; K46-E84 PolarHBondContact NZ-OE1 3.47Å; R58-E84 IonicContact NH2-OE2 2.82Å; E84-V89 HydrophobicContact CB-CG2 4.48Å; E84-V89 HydrophobicContact CG-CG2 4.13Å |
| 85 | N | 91.7 | Very high | 95.5 | Very high | 57 Ų | 57 | 31.5 Ų | 31.5 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | trans | -116.7 | -171 | 169 | 70.7 | 34.3 | 0 | 0 | 0 | 109.4 | K46 T87 D88 | K46-N85 WeakPolarHBondContact CE-O 3.45Å; K46-N85 PolarHBondContact NZ-O 3.42Å; N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 2.99Å; N85-T87 PolarHBondContact OD1-OG1 3.28Å; N85-T87 VanDerWaalsContact OD1-OG1 3.09Å; N85-D88 PolarHBondContact N-O 2.96Å; N85-D88 PolarHBondContact OD1-N 3.04Å; N85-D88 PolarHBondContact OD1-O 3.17Å | ||
| 86 | K | 89.4 | Confident | 95.4 | Very high | 200 Ų | 200 | 32 Ų | 32 | 87% | 0.87 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -63.6 | -27.9 | -177.8 | -68.5 | -177.5 | -178.7 | 176.4 | 0 | 113.8 | K46 | K46-K86 WeakPolarHBondContact CE-O 3.29Š|
| 87 | T | 89.5 | Confident | 95.1 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -110.9 | -28.7 | -169.4 | 51 | 0 | 0 | 0 | 0 | 113.8 | K46 N85 | K46-T87 WeakPolarHBondContact CB-O 3.05Å; K46-T87 PolarHBondContact N-O 3.48Å; N85-T87 PolarHBondContact O-N 3.16Å; N85-T87 PolarHBondContact OD1-N 2.99Å; N85-T87 PolarHBondContact OD1-OG1 3.28Å; N85-T87 VanDerWaalsContact OD1-OG1 3.09Å |
| 88 | D | 92.9 | Very high | 94.8 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.8 | -167.5 | -53 | -73.8 | 0 | 0 | 0 | 111.2 | I44 K45 N85 I90 | I44-D88 CarbonylContact O-C 3.56Å; I44-D88 VanDerWaalsContact O-CA 3.23Å; I44-D88 WeakPolarHBondContact O-CA 3.29Å; K45-D88 WeakPolarHBondContact CA-OD1 3.42Å; K45-D88 VanDerWaalsContact CG-OD1 3.25Å; K45-D88 WeakPolarHBondContact CG-OD1 3.46Å; N85-D88 PolarHBondContact N-O 2.96Å; N85-D88 PolarHBondContact OD1-N 3.04Å; N85-D88 PolarHBondContact OD1-O 3.17Å; D88-I90 HydrophobicContact CB-CD1 4.5Å |
| 89 | V | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.9 | 160 | 175.9 | 0 | 0 | 0 | 0 | 107.1 | F4 I44 K46 I61 I82 E84 L91 | F4-V89 HydrophobicContact CD1-CG1 4.23Å; F4-V89 HydrophobicContact CE1-CG1 3.89Å; I44-V89 PolarHBondContact N-O 2.88Å; I44-V89 PolarHBondContact O-N 2.98Å; K46-V89 HydrophobicContact CD-CG2 3.9Å; K46-V89 HydrophobicContact CG-CG2 4.01Å; I61-V89 HydrophobicContact CD1-CG2 4.25Å; I61-V89 HydrophobicContact CG2-CB 3.82Å; I61-V89 HydrophobicContact CG2-CG1 3.74Å; I61-V89 HydrophobicContact CG2-CG2 3.84Å; I82-V89 HydrophobicContact CG2-CG1 4.19Å; E84-V89 HydrophobicContact CB-CG2 4.48Å; E84-V89 HydrophobicContact CG-CG2 4.13Å; V89-L91 HydrophobicContact CG1-CD2 3.96Å |
| 90 | I | 96.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.8 | -178.3 | -49.9 | 93.5 | 0 | 0 | 0 | 108.7 | V9 A41 K42 F43 I82 F83 D88 I92 | V9-I90 HydrophobicContact CG1-CD1 4.48Å; V9-I90 HydrophobicContact CG2-CG2 4.48Å; A41-I90 HydrophobicContact CB-CG2 4.02Å; K42-I90 WeakPolarHBondContact O-CA 3.38Å; F43-I90 HydrophobicContact CD1-CB 4.46Å; F43-I90 HydrophobicContact CD1-CG1 3.46Å; F43-I90 VanDerWaalsContact CD1-CG1 3.46Å; F43-I90 HydrophobicContact CD1-CG2 4.22Å; F43-I90 HydrophobicContact CE1-CG1 3.66Å; F43-I90 HydrophobicContact CE1-CG2 4.13Å; F43-I90 HydrophobicContact CE2-CG2 4.42Å; F43-I90 HydrophobicContact CG-CG1 4.22Å; F43-I90 HydrophobicContact CG-CG2 4.41Å; F43-I90 HydrophobicContact CZ-CG2 4.22Å; I82-I90 WeakPolarHBondContact CA-O 3.32Å; F83-I90 HydrophobicContact CB-CB 4.22Å; F83-I90 HydrophobicContact CB-CD1 4.06Å; F83-I90 PolarHBondContact N-O 3.14Å; F83-I90 PolarHBondContact O-N 2.89Å; D88-I90 HydrophobicContact CB-CD1 4.5Å; I90-I92 HydrophobicContact CG2-CD1 4.05Å |
| 91 | L | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.4 | 173.2 | -48.2 | -174.8 | 0 | 0 | 0 | 108.7 | A41 K42 I44 E64 V65 L68 L79 I82 V89 L93 | A41-L91 WeakPolarHBondContact CA-O 3.47Å; K42-L91 HydrophobicContact CB-CB 4.33Å; K42-L91 PolarHBondContact N-O 2.77Å; K42-L91 PolarHBondContact O-N 2.86Å; I44-L91 HydrophobicContact CD1-CD1 3.82Å; I44-L91 HydrophobicContact CD1-CG 4.08Å; E64-L91 HydrophobicContact CG-CD1 4.37Å; V65-L91 HydrophobicContact CG2-CD2 3.57Å; L68-L91 HydrophobicContact CD1-CD1 3.94Å; L79-L91 HydrophobicContact CD1-CB 4.08Å; I82-L91 HydrophobicContact CG1-CD2 4.24Å; I82-L91 HydrophobicContact CG2-CD2 3.95Å; V89-L91 HydrophobicContact CG1-CD2 3.96Å; L91-L93 HydrophobicContact CB-CD2 4.24Å; L91-L93 HydrophobicContact CB-CG 4.19Å |
| 92 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.8 | 170.7 | -50.6 | -56.8 | 0 | 0 | 0 | 107.5 | V9 Y13 Y39 A41 H80 D81 F83 I90 | V9-I92 HydrophobicContact CG2-CD1 4.02Å; Y13-I92 HydrophobicContact CD2-CD1 4.45Å; Y13-I92 HydrophobicContact CE1-CG2 3.81Å; Y13-I92 HydrophobicContact CE2-CD1 4.45Å; Y13-I92 HydrophobicContact CE2-CG1 4.17Å; Y39-I92 HydrophobicContact CD1-CG2 4.11Å; Y39-I92 HydrophobicContact CD2-CG2 4.44Å; Y39-I92 HydrophobicContact CG-CG2 3.84Å; A41-I92 HydrophobicContact CB-CD1 3.95Å; H80-I92 WeakPolarHBondContact CA-O 3.45Å; H80-I92 HydrophobicContact CB-CB 4.49Å; H80-I92 HydrophobicContact CB-CG2 4.19Å; H80-I92 WeakPolarHBondContact CB-O 3.47Å; H80-I92 PolarHBondContact N-O 3.44Å; D81-I92 HydrophobicContact CB-CB 4.05Å; D81-I92 HydrophobicContact CB-CG1 4.05Å; D81-I92 PolarHBondContact N-O 3.29Å; D81-I92 PolarHBondContact O-N 2.9Å; F83-I92 HydrophobicContact CD2-CD1 4.38Å; F83-I92 HydrophobicContact CD2-CG1 3.96Å; F83-I92 HydrophobicContact CE2-CD1 4.47Å; F83-I92 HydrophobicContact CE2-CG1 3.86Å; I90-I92 HydrophobicContact CG2-CD1 4.05Å |
| 93 | L | 97.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.9 | -173.6 | -58.5 | 171.1 | 0 | 0 | 0 | 110.4 | Y39 A40 K42 L68 I77 T78 L79 L91 L95 | Y39-L93 WeakPolarHBondContact CA-O 3.4Å; Y39-L93 WeakPolarHBondContact CB-O 3.49Å; A40-L93 PolarHBondContact N-O 3.28Å; A40-L93 PolarHBondContact O-N 3.49Å; K42-L93 HydrophobicContact CB-CD1 4.08Å; K42-L93 HydrophobicContact CD-CD1 4.36Å; L68-L93 HydrophobicContact CD1-CD2 4.24Å; I77-L93 HydrophobicContact CD1-CB 3.95Å; I77-L93 HydrophobicContact CD1-CD1 4.05Å; I77-L93 HydrophobicContact CD1-CG 4.46Å; I77-L93 HydrophobicContact CG1-CB 4.24Å; T78-L93 WeakPolarHBondContact O-CA 3.29Å; L79-L93 HydrophobicContact CB-CD2 4.18Å; L79-L93 HydrophobicContact CD1-CD2 3.75Å; L91-L93 HydrophobicContact CB-CD2 4.24Å; L91-L93 HydrophobicContact CB-CG 4.19Å; L93-L95 PolarHBondContact O-N 3.42Å |
| 94 | E | 96.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 19% | 0.192 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.7 | 130.7 | 166.2 | 178.4 | -178.6 | 176.4 | 0 | 0 | 110.8 | I77 T78 V96 L148 K158 | I77-E94 HydrophobicContact CG1-CB 4.4Å; T78-E94 WeakPolarHBondContact CB-OE2 3.5Å; T78-E94 PolarHBondContact N-OE2 2.92Å; T78-E94 PolarHBondContact O-N 3.3Å; T78-E94 PolarHBondContact OG1-OE2 3.27Å; E94-V96 PolarHBondContact O-N 2.94Å; E94-L148 HydrophobicContact CG-CD1 4.42Å; E94-L148 WeakPolarHBondContact OE1-CD1 3.49Å; E94-K158 VanDerWaalsContact CD-NZ 3.25Å; E94-K158 WeakPolarHBondContact OE1-CE 3.45Å; E94-K158 IonicContact OE1-NZ 3.8Å; E94-K158 PolarHBondContact OE1-NZ 2.94Å; E94-K158 IonicContact OE2-NZ 2.96Å; E94-K158 PolarHBondContact OE2-NZ 2.89Å |
| 95 | L | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.131 | 18% | 0.175 | C | C | . | . | trans | -73.4 | 121.7 | 176.2 | -178.9 | 63 | 0 | 0 | 0 | 110.3 | L19 K29 E38 A40 L93 | L19-L95 HydrophobicContact CD1-CD1 3.62Å; K29-L95 HydrophobicContact CD-CD2 4.38Å; K29-L95 HydrophobicContact CG-CD1 4.46Å; K29-L95 HydrophobicContact CG-CD2 4.37Å; E38-L95 HydrophobicContact CB-CD2 3.71Å; A40-L95 HydrophobicContact CB-CD1 4.3Å; L93-L95 PolarHBondContact O-N 3.42Å | ||
| 96 | V | 95.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 29.7 Ų | 29.7 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | trans | -113.6 | 101.3 | 177.4 | -177 | 0 | 0 | 0 | 0 | 108.4 | I77 E94 M146 L147 L148 K158 | I77-V96 HydrophobicContact CD1-CG2 4.39Å; E94-V96 PolarHBondContact O-N 2.94Å; V96-M146 HydrophobicContact CG1-CB 3.5Å; V96-M146 VanDerWaalsContact CG1-CB 3.5Å; V96-M146 HydrophobicContact CG1-CG 4.49Å; V96-M146 HydrophobicContact CG1-SD 4.23Å; V96-L147 WeakPolarHBondContact CG1-O 3.48Å; V96-L148 HydrophobicContact CG2-CD1 4.43Å; V96-K158 HydrophobicContact CG1-CB 4.15Å; V96-K158 HydrophobicContact CG1-CG 4.47Å; V96-K158 HydrophobicContact CG2-CB 4.04Å; V96-K158 HydrophobicContact CG2-CG 4.07Å | ||
| 97 | S | 92.5 | Very high | 93 | Very high | 86 Ų | 86 | 26.3 Ų | 26.3 | 60% | 0.601 | 15% | 0.15 | S | C | * | . | trans | -111.4 | 4.6 | -168.1 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | G99 L148 | S97-G99 VanDerWaalsContact C-N 3.29Å; S97-G99 PolarHBondContact O-N 2.99Å; S97-L148 PolarHBondContact N-O 3.23Å | ||
| 98 | G | 91.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -80.1 | -4.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L147 L148 K150 | G98-L147 WeakPolarHBondContact CA-O 3.34Å; G98-L147 PolarHBondContact N-O 3.45Å; G98-L148 PolarHBondContact N-O 3.26Å; G98-K150 WeakPolarHBondContact O-CB 3.22Å |
| 99 | G | 92.8 | Very high | 92 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | trans | 76.1 | -170.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S97 M146 L147 | S97-G99 VanDerWaalsContact C-N 3.29Å; S97-G99 PolarHBondContact O-N 2.99Å; G99-M146 CarbonylContact O-C 3.56Å; G99-M146 WeakPolarHBondContact O-CA 3.37Å; G99-L147 PolarHBondContact O-N 2.68Å | ||
| 100 | E | 93.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 35 Ų | 35 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -75.8 | 145.6 | -178.2 | -61.8 | 178.2 | -155.6 | 0 | 0 | 111.9 | F102 D103 F104 H310 | E100-F102 VanDerWaalsContact C-N 3.26Å; E100-F102 PolarHBondContact O-N 3.1Å; E100-D103 HydrophobicContact CB-CB 4.42Å; E100-D103 PolarHBondContact O-N 3.2Å; E100-F104 PolarHBondContact O-N 3.39Å; E100-H310 IonicContact OE1-CE1 3.56Å; E100-H310 PolarHBondContact OE1-CE1 3.42Å; E100-H310 IonicContact OE2-CE1 3.8Å |
| 101 | L | 93.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -41.6 | 176.4 | 172.8 | 66.5 | 0 | 0 | 0 | 111.7 | F104 L105 F119 I123 I145 L147 I157 | L101-F104 PolarHBondContact O-N 3.25Å; L101-L105 HydrophobicContact CD1-CD1 3.82Å; L101-L105 HydrophobicContact CD1-CG 3.98Å; L101-L105 HydrophobicContact CD2-CD1 4.46Å; L101-L105 HydrophobicContact CG-CD1 3.89Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.22Å; L101-L105 PolarHBondContact O-N 2.97Å; L101-F119 HydrophobicContact CD1-CB 4.17Å; L101-F119 HydrophobicContact CD1-CD1 3.59Å; L101-F119 HydrophobicContact CD1-CD2 4.35Å; L101-F119 HydrophobicContact CD1-CE1 4.07Å; L101-F119 HydrophobicContact CD1-CG 3.77Å; L101-F119 HydrophobicContact CD2-CB 4.28Å; L101-I123 HydrophobicContact CD2-CD1 4.23Å; L101-I145 HydrophobicContact CB-CG2 3.92Å; L101-I145 WeakPolarHBondContact CB-O 3.32Å; L101-I145 HydrophobicContact CD2-CG2 3.76Å; L101-I145 HydrophobicContact CG-CG2 4.49Å; L101-I145 PolarHBondContact N-O 3.18Å; L101-L147 HydrophobicContact CB-CD2 4.49Å; L101-L147 HydrophobicContact CD1-CD2 4.01Å; L101-I157 HydrophobicContact CD1-CD1 4.28Å; L101-I157 HydrophobicContact CD2-CD1 3.82Å |
| 102 | F | 91.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.5 | -41.2 | -174.4 | -81.9 | -113 | 0 | 0 | 0 | 111.4 | E100 F104 L105 A106 P142 I206 I209 L210 L302 | E100-F102 VanDerWaalsContact C-N 3.26Å; E100-F102 PolarHBondContact O-N 3.1Å; F102-F104 PolarHBondContact O-N 3.38Å; F102-L105 PolarHBondContact O-N 3.36Å; F102-A106 WeakPolarHBondContact O-CB 3.46Å; F102-A106 PolarHBondContact O-N 2.96Å; F102-P142 HydrophobicContact CB-CB 4.43Å; F102-P142 HydrophobicContact CD1-CB 4.3Å; F102-P142 HydrophobicContact CD1-CG 4.34Å; F102-P142 HydrophobicContact CD2-CB 3.6Å; F102-P142 HydrophobicContact CD2-CG 4.12Å; F102-P142 HydrophobicContact CE1-CG 4.17Å; F102-P142 HydrophobicContact CE2-CB 3.87Å; F102-P142 HydrophobicContact CE2-CG 3.92Å; F102-P142 HydrophobicContact CG-CB 3.85Å; F102-P142 HydrophobicContact CG-CG 4.34Å; F102-P142 HydrophobicContact CZ-CB 4.35Å; F102-P142 HydrophobicContact CZ-CG 3.95Å; F102-I206 HydrophobicContact CE2-CG2 4.09Å; F102-I206 HydrophobicContact CZ-CG2 3.95Å; F102-I209 HydrophobicContact CD1-CG2 4.35Å; F102-I209 HydrophobicContact CE1-CB 4.12Å; F102-I209 HydrophobicContact CE1-CG2 3.68Å; F102-L210 HydrophobicContact CE1-CB 4.48Å; F102-L210 HydrophobicContact CZ-CB 4.23Å; F102-L210 HydrophobicContact CZ-CD1 4.48Å; F102-L302 HydrophobicContact CD1-CD1 3.63Å; F102-L302 HydrophobicContact CE1-CD1 3.97Å |
| 103 | D | 90 | Very high | 90 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.4 | -49.7 | 171.6 | -66.4 | -20.2 | 0 | 0 | 0 | 111.4 | E100 L105 A106 E107 T306 H310 | E100-D103 HydrophobicContact CB-CB 4.42Å; E100-D103 PolarHBondContact O-N 3.2Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 2.94Å; D103-A106 WeakPolarHBondContact O-CB 3.27Å; D103-A106 PolarHBondContact O-N 2.97Å; D103-E107 PolarHBondContact O-N 2.97Å; D103-T306 WeakPolarHBondContact OD1-CG2 3.39Å; D103-H310 IonicContact OD1-CD2 2.67Å; D103-H310 IonicContact OD1-NE2 3.29Å; D103-H310 PolarHBondContact OD1-NE2 2.83Å; D103-H310 IonicContact OD2-NE2 2.97Å |
| 104 | F | 90.5 | Very high | 89.6 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -37.5 | -179.5 | 172.2 | -103.6 | 0 | 0 | 0 | 113 | E100 L101 F102 K108 F119 L147 K150 P155 | E100-F104 PolarHBondContact O-N 3.39Å; L101-F104 PolarHBondContact O-N 3.25Å; F102-F104 PolarHBondContact O-N 3.38Å; F104-K108 VanDerWaalsContact CE1-CE 3.45Å; F104-F119 HydrophobicContact CD1-CZ 4.47Å; F104-F119 HydrophobicContact CE1-CE1 4.5Å; F104-F119 AromaticContact CE1-CZ 3.86Å; F104-F119 HydrophobicContact CE1-CZ 3.86Å; F104-L147 HydrophobicContact CB-CD1 3.45Å; F104-L147 VanDerWaalsContact CB-CD1 3.45Å; F104-L147 HydrophobicContact CD1-CD1 3.63Å; F104-L147 HydrophobicContact CD2-CD1 4.06Å; F104-L147 HydrophobicContact CE1-CD1 4.35Å; F104-L147 HydrophobicContact CG-CD1 3.44Å; F104-L147 VanDerWaalsContact CG-CD1 3.44Å; F104-K150 HydrophobicContact CD2-CB 4.24Å; F104-P155 HydrophobicContact CE1-CG 4Å; F104-P155 HydrophobicContact CE2-CG 4.17Å; F104-P155 HydrophobicContact CZ-CG 3.69Å |
| 105 | L | 88.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.6 | -33.7 | 177 | -67.4 | -179.5 | 0 | 0 | 0 | 112.2 | L101 F102 D103 E107 K108 L111 F119 L210 L302 | L101-L105 HydrophobicContact CD1-CD1 3.82Å; L101-L105 HydrophobicContact CD1-CG 3.98Å; L101-L105 HydrophobicContact CD2-CD1 4.46Å; L101-L105 HydrophobicContact CG-CD1 3.89Å; L101-L105 HydrophobicContact CG-CG 4.35Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.22Å; L101-L105 PolarHBondContact O-N 2.97Å; F102-L105 PolarHBondContact O-N 3.36Å; D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 PolarHBondContact O-N 2.94Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-K108 HydrophobicContact CD2-CD 4.33Å; L105-K108 PolarHBondContact O-N 3.44Å; L105-L111 HydrophobicContact CD1-CD2 4.17Å; L105-L111 HydrophobicContact CD2-CD1 3.86Å; L105-L111 HydrophobicContact CD2-CD2 4.34Å; L105-F119 HydrophobicContact CD1-CD2 4.48Å; L105-F119 HydrophobicContact CD2-CD2 3.98Å; L105-F119 HydrophobicContact CD2-CE2 3.7Å; L105-F119 HydrophobicContact CD2-CZ 4.42Å; L105-L210 HydrophobicContact CD1-CD1 3.24Å; L105-L302 HydrophobicContact CB-CD2 3.8Å |
| 106 | A | 87.1 | Confident | 89 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F102 D103 K108 K303 | F102-A106 WeakPolarHBondContact O-CB 3.46Å; F102-A106 PolarHBondContact O-N 2.96Å; D103-A106 WeakPolarHBondContact O-CB 3.27Å; D103-A106 PolarHBondContact O-N 2.97Å; A106-K108 PolarHBondContact O-N 3.2Å; A106-K108 VanDerWaalsContact O-N 3.13Å; A106-K303 HydrophobicContact CB-CB 4.34Å; A106-K303 HydrophobicContact CB-CG 3.77Å; A106-K303 WeakPolarHBondContact O-CE 3.29Å; A106-K303 WeakPolarHBondContact O-CG 3.48Å |
| 107 | E | 86.6 | Confident | 88.9 | Confident | 130 Ų | 130 | 36.4 Ų | 36.4 | 61% | 0.607 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -57.4 | -29.2 | 178.8 | -73.5 | 178 | -177.3 | 0 | 0 | 114.4 | D103 L105 | D103-E107 PolarHBondContact O-N 2.97Å; L105-E107 VanDerWaalsContact C-N 3.32Å |
| 108 | K | 83.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 35.7 Ų | 35.7 | 29% | 0.291 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -69.7 | 147 | -179.4 | -61.5 | -177.8 | -179.7 | -179.1 | 0 | 111 | F104 L105 A106 S110 T299 | F104-K108 VanDerWaalsContact CE1-CE 3.45Å; L105-K108 HydrophobicContact CD2-CD 4.33Å; L105-K108 PolarHBondContact O-N 3.44Å; A106-K108 PolarHBondContact O-N 3.2Å; A106-K108 VanDerWaalsContact O-N 3.13Å; K108-S110 VanDerWaalsContact C-N 3.33Å; K108-T299 VanDerWaalsContact O-CB 3.31Å; K108-T299 WeakPolarHBondContact O-CB 3.31Å; K108-T299 WeakPolarHBondContact O-CG2 3.34Å; K108-T299 PolarHBondContact O-OG1 3.31Å |
| 109 | E | 77.6 | Confident | 89.1 | Confident | 171 Ų | 171 | 35.6 Ų | 35.6 | 80% | 0.799 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -71.5 | -28.8 | 175.7 | -67.7 | -176.8 | 163.4 | 0 | 0 | 113.4 | T299 | E109-T299 PolarHBondContact O-OG1 2.85Š|
| 110 | S | 79.1 | Confident | 89.2 | Confident | 29 Ų | 29 | 34.3 Ų | 34.3 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 147.6 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 110.7 | K108 R296 L297 | K108-S110 VanDerWaalsContact C-N 3.33Å; S110-R296 PolarHBondContact OG-NE 3.12Å; S110-R296 PolarHBondContact OG-NH2 3.06Å; S110-L297 WeakPolarHBondContact CA-O 3.35Å |
| 111 | L | 85.8 | Confident | 89.4 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136.5 | 176.1 | -172.7 | 62.6 | 0 | 0 | 0 | 108.9 | L105 A115 A116 L210 L297 T299 | L105-L111 HydrophobicContact CD1-CD2 4.17Å; L105-L111 HydrophobicContact CD2-CD1 3.86Å; L105-L111 HydrophobicContact CD2-CD2 4.34Å; L111-A115 HydrophobicContact CD1-CB 3.71Å; L111-A116 HydrophobicContact CD2-CB 3.98Å; L111-A116 HydrophobicContact CG-CB 4.31Å; L111-L210 HydrophobicContact CD2-CD1 4.35Å; L111-L297 PolarHBondContact N-O 3.45Å; L111-L297 WeakPolarHBondContact O-CA 3.49Å; L111-L297 WeakPolarHBondContact O-CB 3.39Å; L111-L297 PolarHBondContact O-N 3.49Å; L111-T299 HydrophobicContact CB-CG2 4.03Å |
| 112 | T | 89.4 | Confident | 89.6 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 150.7 | 170.4 | 59.3 | 0 | 0 | 0 | 0 | 109 | E114 A115 A116 R294 R296 | T112-E114 PolarHBondContact O-N 3.33Å; T112-A115 PolarHBondContact O-N 2.92Å; T112-A115 PolarHBondContact OG1-N 2.97Å; T112-A116 PolarHBondContact O-N 2.9Å; T112-R294 HydrophobicContact CG2-CB 4.4Å; T112-R296 HydrophobicContact CG2-CG 4.31Å |
| 113 | E | 90.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 37.2 Ų | 37.2 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.5 | -31.7 | 171.8 | -72.7 | -175.4 | -140.7 | 0 | 0 | 111.9 | A115 A116 T117 L211 S245 W274 L297 | E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.27Å; E113-A116 PolarHBondContact O-N 3.49Å; E113-T117 WeakPolarHBondContact O-CB 3.19Å; E113-T117 VanDerWaalsContact O-CG2 3.28Å; E113-T117 WeakPolarHBondContact O-CG2 3.39Å; E113-T117 PolarHBondContact O-N 3.35Å; E113-T117 PolarHBondContact O-OG1 2.96Å; E113-L211 HydrophobicContact CG-CD2 4.44Å; E113-S245 WeakPolarHBondContact OE1-CB 3.19Å; E113-S245 PolarHBondContact OE1-N 2.82Å; E113-S245 PolarHBondContact OE1-OG 3.19Å; E113-S245 WeakPolarHBondContact OE2-CB 3.45Å; E113-S245 PolarHBondContact OE2-OG 3.42Å; E113-W274 PolarHBondContact OE2-NE1 2.79Å; E113-L297 HydrophobicContact CG-CD1 4.09Å |
| 114 | E | 88.8 | Confident | 90.3 | Very high | 40 Ų | 40 | 34.9 Ų | 34.9 | 19% | 0.187 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 174.5 | -178 | 173.1 | -157.6 | 0 | 0 | 112.2 | T112 T117 Q118 I278 R294 | T112-E114 PolarHBondContact O-N 3.33Å; E114-T117 PolarHBondContact O-OG1 3.48Å; E114-Q118 VanDerWaalsContact O-CG 3.31Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 2.88Å; E114-I278 HydrophobicContact CB-CD1 4.25Å; E114-I278 HydrophobicContact CG-CD1 3.98Å; E114-I278 HydrophobicContact CG-CG1 4.18Å; E114-I278 HydrophobicContact CG-CG2 4.12Å; E114-R294 IonicContact OE2-CZ 3.67Å; E114-R294 IonicContact OE2-NE 2.95Å; E114-R294 IonicContact OE2-NH2 2.75Å; E114-R294 PolarHBondContact OE2-NH2 2.91Å |
| 115 | A | 88.6 | Confident | 90.6 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 20% | 0.198 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.3 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L111 T112 E113 T117 Q118 F119 | L111-A115 HydrophobicContact CD1-CB 3.71Å; T112-A115 PolarHBondContact O-N 2.92Å; T112-A115 PolarHBondContact OG1-N 2.97Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.27Å; A115-T117 PolarHBondContact O-N 3.28Å; A115-Q118 WeakPolarHBondContact O-CB 3.5Å; A115-Q118 PolarHBondContact O-N 3.49Å; A115-F119 VanDerWaalsContact O-CD2 3.22Å; A115-F119 WeakPolarHBondContact O-CD2 3.47Å; A115-F119 PolarHBondContact O-N 2.87Å |
| 116 | A | 91.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L111 T112 E113 Q118 F119 L120 L210 L211 | L111-A116 HydrophobicContact CD2-CB 3.98Å; L111-A116 HydrophobicContact CG-CB 4.31Å; T112-A116 PolarHBondContact O-N 2.9Å; E113-A116 PolarHBondContact O-N 3.49Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.34Å; A116-F119 PolarHBondContact O-N 3.37Å; A116-L120 WeakPolarHBondContact O-CB 3.12Å; A116-L120 PolarHBondContact O-N 2.77Å; A116-L210 HydrophobicContact CB-CD2 4.14Å; A116-L210 HydrophobicContact CB-CG 4.46Å; A116-L211 HydrophobicContact CB-CD2 4.05Å |
| 117 | T | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -26.9 | 177.4 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | E113 E114 A115 K121 W274 I275 I278 | E113-T117 WeakPolarHBondContact O-CB 3.19Å; E113-T117 VanDerWaalsContact O-CG2 3.28Å; E113-T117 WeakPolarHBondContact O-CG2 3.39Å; E113-T117 PolarHBondContact O-N 3.35Å; E113-T117 PolarHBondContact O-OG1 2.96Å; E114-T117 PolarHBondContact O-OG1 3.48Å; A115-T117 PolarHBondContact O-N 3.28Å; T117-K121 WeakPolarHBondContact O-CB 3.46Å; T117-K121 PolarHBondContact O-N 3.22Å; T117-W274 HydrophobicContact CG2-CD2 3.68Å; T117-W274 HydrophobicContact CG2-CE3 4.04Å; T117-W274 HydrophobicContact CG2-CG 4.3Å; T117-W274 HydrophobicContact CG2-CH2 3.86Å; T117-W274 HydrophobicContact CG2-CZ2 3.48Å; T117-W274 VanDerWaalsContact CG2-CZ2 3.48Å; T117-W274 HydrophobicContact CG2-CZ3 4.14Å; T117-I275 HydrophobicContact CG2-CD1 4.28Å; T117-I278 HydrophobicContact CG2-CD1 4.48Å; T117-I278 WeakPolarHBondContact OG1-CD1 3.4Å |
| 118 | Q | 92.7 | Very high | 92.2 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 172.6 | -73.5 | 172.6 | 17.4 | 0 | 0 | 111.9 | E114 A115 A116 Q122 | E114-Q118 VanDerWaalsContact O-CG 3.31Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 2.88Å; A115-Q118 WeakPolarHBondContact O-CB 3.5Å; A115-Q118 PolarHBondContact O-N 3.49Å; A116-Q118 VanDerWaalsContact C-N 3.29Å; A116-Q118 PolarHBondContact O-N 3.34Å; Q118-Q122 PolarHBondContact O-N 2.97Å |
| 119 | F | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 32 Ų | 32 | 1% | 0.013 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.7 | -47.6 | 173.3 | -69.8 | -66 | 0 | 0 | 0 | 111.1 | L101 F104 L105 A115 A116 K121 Q122 I123 I157 | L101-F119 HydrophobicContact CD1-CB 4.17Å; L101-F119 HydrophobicContact CD1-CD1 3.59Å; L101-F119 HydrophobicContact CD1-CD2 4.35Å; L101-F119 HydrophobicContact CD1-CE1 4.07Å; L101-F119 HydrophobicContact CD1-CG 3.77Å; L101-F119 HydrophobicContact CD2-CB 4.28Å; F104-F119 HydrophobicContact CD1-CZ 4.47Å; F104-F119 HydrophobicContact CE1-CE1 4.5Å; F104-F119 AromaticContact CE1-CZ 3.86Å; F104-F119 HydrophobicContact CE1-CZ 3.86Å; L105-F119 HydrophobicContact CD1-CD2 4.48Å; L105-F119 HydrophobicContact CD2-CD2 3.98Å; L105-F119 HydrophobicContact CD2-CE2 3.7Å; L105-F119 HydrophobicContact CD2-CZ 4.42Å; A115-F119 VanDerWaalsContact O-CD2 3.22Å; A115-F119 WeakPolarHBondContact O-CD2 3.47Å; A115-F119 PolarHBondContact O-N 2.87Å; A116-F119 PolarHBondContact O-N 3.37Å; F119-K121 PolarHBondContact O-N 3.02Å; F119-Q122 WeakPolarHBondContact O-CB 3.45Å; F119-Q122 PolarHBondContact O-N 3.3Å; F119-I123 PolarHBondContact O-N 2.9Å; F119-I123 VanDerWaalsContact O-N 3.16Å; F119-I157 HydrophobicContact CB-CD1 3.92Å; F119-I157 HydrophobicContact CD1-CD1 3.96Å; F119-I157 HydrophobicContact CD1-CG1 4.24Å; F119-I157 HydrophobicContact CG-CD1 4.43Å; F119-I157 WeakPolarHBondContact O-CD1 3.39Å |
| 120 | L | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.7 | -37.6 | 178.6 | -175.1 | 61.7 | 0 | 0 | 0 | 112.1 | A116 Q122 I123 L124 I203 T207 F251 W274 I275 | A116-L120 WeakPolarHBondContact O-CB 3.12Å; A116-L120 PolarHBondContact O-N 2.77Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.26Å; L120-I123 HydrophobicContact CD1-CD1 4.35Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 PolarHBondContact O-N 3.48Å; L120-L124 HydrophobicContact CG-CD1 4.25Å; L120-L124 HydrophobicContact CG-CG 4.44Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.86Å; L120-I203 HydrophobicContact CD1-CG2 4.03Å; L120-T207 WeakPolarHBondContact CD1-OG1 3.41Å; L120-T207 HydrophobicContact CD2-CG2 3.97Å; L120-F251 HydrophobicContact CD2-CD1 4.43Å; L120-F251 HydrophobicContact CD2-CE1 3.73Å; L120-F251 HydrophobicContact CD2-CZ 4.19Å; L120-W274 HydrophobicContact CD2-CE3 4.22Å; L120-W274 HydrophobicContact CD2-CH2 3.82Å; L120-W274 HydrophobicContact CD2-CZ3 3.27Å; L120-I275 HydrophobicContact CD2-CD1 3.78Å; L120-I275 HydrophobicContact CG-CD1 4.32Å |
| 121 | K | 95.9 | Very high | 94.8 | Very high | 73 Ų | 73 | 23.2 Ų | 23.2 | 32% | 0.317 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.8 | -177.2 | 176.7 | 176.4 | -175.6 | 0 | 112.6 | T117 F119 I123 L124 D125 | T117-K121 WeakPolarHBondContact O-CB 3.46Å; T117-K121 PolarHBondContact O-N 3.22Å; F119-K121 PolarHBondContact O-N 3.02Å; K121-I123 VanDerWaalsContact C-N 3.29Å; K121-I123 PolarHBondContact O-N 3.37Å; K121-L124 PolarHBondContact O-N 3.48Å; K121-D125 WeakPolarHBondContact O-CB 3.37Å; K121-D125 PolarHBondContact O-N 3.25Å |
| 122 | Q | 97.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 26.8 Ų | 26.8 | 13% | 0.131 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 175.4 | -69.2 | -173.9 | 64.5 | 0 | 0 | 112 | N75 Q118 F119 L120 G126 P155 I157 | N75-Q122 WeakPolarHBondContact CB-O 3.5Å; N75-Q122 PolarHBondContact ND2-OE1 2.93Å; Q118-Q122 PolarHBondContact O-N 2.97Å; F119-Q122 WeakPolarHBondContact O-CB 3.45Å; F119-Q122 PolarHBondContact O-N 3.3Å; L120-Q122 VanDerWaalsContact C-N 3.33Å; L120-Q122 PolarHBondContact O-N 3.26Å; Q122-G126 PolarHBondContact O-N 3.45Å; Q122-G126 VanDerWaalsContact O-N 3.13Å; Q122-P155 PolarHBondContact NE2-O 3.44Å; Q122-I157 HydrophobicContact CB-CB 4.09Å; Q122-I157 HydrophobicContact CB-CD1 4.15Å; Q122-I157 HydrophobicContact CB-CG1 4.39Å |
| 123 | I | 98.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 172.6 | -60.4 | 168.2 | 0 | 0 | 0 | 109.5 | L101 F119 L120 K121 D125 G126 V127 I145 I157 L159 | L101-I123 HydrophobicContact CD2-CD1 4.23Å; F119-I123 PolarHBondContact O-N 2.9Å; F119-I123 VanDerWaalsContact O-N 3.16Å; L120-I123 HydrophobicContact CD1-CD1 4.35Å; L120-I123 WeakPolarHBondContact O-CB 3.39Å; L120-I123 PolarHBondContact O-N 3.48Å; K121-I123 VanDerWaalsContact C-N 3.29Å; K121-I123 PolarHBondContact O-N 3.37Å; I123-D125 VanDerWaalsContact C-N 3.33Å; I123-D125 PolarHBondContact O-N 3.44Å; I123-G126 PolarHBondContact O-N 2.88Å; I123-G126 VanDerWaalsContact O-N 3.14Å; I123-V127 HydrophobicContact CG2-CG2 4.36Å; I123-V127 WeakPolarHBondContact O-CG2 3.37Å; I123-V127 PolarHBondContact O-N 3.47Å; I123-I145 HydrophobicContact CD1-CD1 3.95Å; I123-I145 HydrophobicContact CD1-CG2 4.03Å; I123-I145 HydrophobicContact CG1-CG2 4.12Å; I123-I157 HydrophobicContact CD1-CD1 4.21Å; I123-I157 HydrophobicContact CG1-CD1 3.76Å; I123-I157 HydrophobicContact CG1-CG2 4.26Å; I123-L159 HydrophobicContact CG2-CD2 4.37Å |
| 124 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 178.9 | -66.7 | 169.8 | 0 | 0 | 0 | 112.1 | L120 K121 G126 V127 H128 I203 F251 I266 L270 I275 | L120-L124 HydrophobicContact CG-CD1 4.25Å; L120-L124 HydrophobicContact CG-CG 4.44Å; L120-L124 WeakPolarHBondContact O-CG 3.39Å; L120-L124 PolarHBondContact O-N 2.86Å; K121-L124 PolarHBondContact O-N 3.48Å; L124-G126 VanDerWaalsContact C-N 3.32Å; L124-G126 PolarHBondContact O-N 3.41Å; L124-V127 PolarHBondContact O-N 2.88Å; L124-H128 WeakPolarHBondContact O-CB 3.33Å; L124-H128 PolarHBondContact O-N 3.43Å; L124-I203 HydrophobicContact CD2-CD1 4.17Å; L124-I203 HydrophobicContact CD2-CG2 4.14Å; L124-F251 HydrophobicContact CD1-CZ 4.24Å; L124-I266 HydrophobicContact CB-CD1 4.17Å; L124-I266 HydrophobicContact CD2-CD1 3.55Å; L124-I266 HydrophobicContact CG-CD1 4.49Å; L124-L270 HydrophobicContact CB-CD2 3.68Å; L124-L270 HydrophobicContact CB-CG 4.27Å; L124-L270 HydrophobicContact CD1-CD2 4.33Å; L124-I275 HydrophobicContact CD1-CD1 3.99Å; L124-I275 HydrophobicContact CD1-CG1 4.02Å; L124-I275 HydrophobicContact CD1-CG2 4.28Å |
| 125 | D | 98.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 28.5 Ų | 28.5 | 28% | 0.283 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.3 | -38.9 | 177.5 | -70.6 | -25 | 0 | 0 | 0 | 110.9 | K121 I123 Y129 | K121-D125 WeakPolarHBondContact O-CB 3.37Å; K121-D125 PolarHBondContact O-N 3.25Å; I123-D125 VanDerWaalsContact C-N 3.33Å; I123-D125 PolarHBondContact O-N 3.44Å; D125-Y129 PolarHBondContact O-N 2.95Å |
| 126 | G | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -48.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q122 I123 L124 Y129 L130 | Q122-G126 PolarHBondContact O-N 3.45Å; Q122-G126 VanDerWaalsContact O-N 3.13Å; I123-G126 PolarHBondContact O-N 2.88Å; I123-G126 VanDerWaalsContact O-N 3.14Å; L124-G126 VanDerWaalsContact C-N 3.32Å; L124-G126 PolarHBondContact O-N 3.41Å; G126-Y129 WeakPolarHBondContact O-CB 3.25Å; G126-Y129 PolarHBondContact O-N 3.44Å; G126-L130 PolarHBondContact O-N 3.37Å |
| 127 | V | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -37.9 | 179.6 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | I123 L124 Y129 L130 H131 L140 L159 D199 M200 I203 I266 | I123-V127 HydrophobicContact CG2-CG2 4.36Å; I123-V127 WeakPolarHBondContact O-CG2 3.37Å; I123-V127 PolarHBondContact O-N 3.47Å; L124-V127 PolarHBondContact O-N 2.88Å; V127-Y129 VanDerWaalsContact C-N 3.3Å; V127-Y129 PolarHBondContact O-N 3.41Å; V127-L130 WeakPolarHBondContact O-CB 3.27Å; V127-L130 PolarHBondContact O-N 3.45Å; V127-L130 VanDerWaalsContact O-N 3.1Å; V127-H131 WeakPolarHBondContact CG1-NE2 3.33Å; V127-H131 WeakPolarHBondContact O-CB 3.48Å; V127-H131 PolarHBondContact O-CD2 3.31Å; V127-H131 PolarHBondContact O-N 3.27Å; V127-L140 HydrophobicContact CG2-CD1 3.82Å; V127-L140 HydrophobicContact CG2-CD2 4.46Å; V127-L159 HydrophobicContact CG2-CD1 3.93Å; V127-D199 HydrophobicContact CG1-CB 4.45Å; V127-M200 HydrophobicContact CG1-SD 4.49Å; V127-I203 HydrophobicContact CB-CD1 4.28Å; V127-I203 HydrophobicContact CG1-CD1 4.08Å; V127-I203 HydrophobicContact CG2-CD1 4.06Å; V127-I266 HydrophobicContact CB-CD1 4.1Å; V127-I266 HydrophobicContact CG1-CD1 4.01Å; V127-I266 HydrophobicContact CG1-CG1 4.32Å |
| 128 | H | 98.6 | Very high | 97.1 | Very high | 67 Ų | 67 | 27.7 Ų | 27.7 | 31% | 0.31 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 173.4 | 175.2 | -94 | 0 | 0 | 0 | 111.6 | L124 L130 H131 S132 I266 D267 L270 | L124-H128 WeakPolarHBondContact O-CB 3.33Å; L124-H128 PolarHBondContact O-N 3.43Å; H128-L130 PolarHBondContact O-N 2.95Å; H128-H131 PolarHBondContact O-N 3.47Å; H128-S132 WeakPolarHBondContact O-CB 3.35Å; H128-S132 PolarHBondContact O-N 3.12Å; H128-I266 HydrophobicContact CB-CD1 4.48Å; H128-I266 HydrophobicContact CB-CG1 3.67Å; H128-D267 IonicContact CD2-OD1 4Å; H128-D267 IonicContact NE2-OD1 3.3Å; H128-D267 PolarHBondContact NE2-OD1 3.02Å; H128-L270 HydrophobicContact CB-CD1 3.88Å |
| 129 | Y | 98.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 25.1 Ų | 25.1 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 174.5 | 178.7 | -93.1 | 0 | 0 | 0 | 112.1 | I71 Q72 H73 I76 D125 G126 V127 S132 K133 | I71-Y129 HydrophobicContact CB-CE1 3.87Å; I71-Y129 HydrophobicContact CG2-CE1 4.1Å; Q72-Y129 PolarHBondContact N-OH 3.37Å; Q72-Y129 PolarHBondContact O-OH 3.21Å; H73-Y129 HydrophobicContact CB-CD1 3.68Å; H73-Y129 HydrophobicContact CB-CD2 4.17Å; H73-Y129 HydrophobicContact CB-CE1 3.98Å; H73-Y129 HydrophobicContact CB-CE2 4.42Å; H73-Y129 HydrophobicContact CB-CG 3.77Å; H73-Y129 AromaticContact CD2-CD2 3.92Å; H73-Y129 AromaticContact CD2-CG 3.94Å; H73-Y129 AromaticContact CG-CG 3.88Å; I76-Y129 HydrophobicContact CD1-CD1 3.64Å; I76-Y129 HydrophobicContact CD1-CE1 4.37Å; I76-Y129 HydrophobicContact CD1-CG 4.45Å; D125-Y129 PolarHBondContact O-N 2.95Å; G126-Y129 WeakPolarHBondContact O-CB 3.25Å; G126-Y129 PolarHBondContact O-N 3.44Å; V127-Y129 VanDerWaalsContact C-N 3.3Å; V127-Y129 PolarHBondContact O-N 3.41Å; Y129-S132 PolarHBondContact O-N 2.98Å; Y129-S132 PolarHBondContact O-OG 3.44Å; Y129-K133 HydrophobicContact CE1-CD 4.03Å; Y129-K133 VanDerWaalsContact CZ-CE 3.42Å; Y129-K133 WeakPolarHBondContact OH-CE 3.36Å |
| 130 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -48.7 | 176.9 | -66.8 | 176.9 | 0 | 0 | 0 | 112.1 | I71 I76 G126 V127 H128 S132 K133 C134 I135 H137 F162 | I71-L130 HydrophobicContact CD1-CD2 4.47Å; I71-L130 HydrophobicContact CG2-CD2 3.91Å; I76-L130 HydrophobicContact CD1-CD1 4.32Å; I76-L130 HydrophobicContact CD1-CD2 3.68Å; I76-L130 HydrophobicContact CD1-CG 3.71Å; G126-L130 PolarHBondContact O-N 3.37Å; V127-L130 WeakPolarHBondContact O-CB 3.27Å; V127-L130 PolarHBondContact O-N 3.45Å; V127-L130 VanDerWaalsContact O-N 3.1Å; H128-L130 PolarHBondContact O-N 2.95Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.49Å; L130-K133 CarbonylContact O-C 3.47Å; L130-K133 WeakPolarHBondContact O-CA 3.39Å; L130-K133 WeakPolarHBondContact O-CB 3.43Å; L130-K133 PolarHBondContact O-N 3.49Å; L130-C134 PolarHBondContact O-N 3.26Å; L130-I135 CarbonylContact C-O 3.52Å; L130-I135 HydrophobicContact CB-CB 4.35Å; L130-I135 WeakPolarHBondContact CB-O 3.43Å; L130-I135 HydrophobicContact CD2-CB 4.43Å; L130-I135 HydrophobicContact CD2-CG2 4.17Å; L130-I135 PolarHBondContact O-N 2.89Å; L130-H137 HydrophobicContact CD1-CB 4.3Å; L130-F162 HydrophobicContact CD1-CE1 3.85Å; L130-F162 HydrophobicContact CD1-CZ 4.07Å; L130-F162 HydrophobicContact CD2-CE1 3.72Å; L130-F162 HydrophobicContact CD2-CZ 4.21Å; L130-F162 HydrophobicContact CG-CE1 4.45Å |
| 131 | H | 97.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64 | -33.3 | -178.9 | -73.4 | -162.2 | 0 | 0 | 0 | 111.8 | V127 H128 K133 C134 I135 L196 D199 I266 | V127-H131 WeakPolarHBondContact CG1-NE2 3.33Å; V127-H131 WeakPolarHBondContact O-CB 3.48Å; V127-H131 PolarHBondContact O-CD2 3.31Å; V127-H131 PolarHBondContact O-N 3.27Å; H128-H131 PolarHBondContact O-N 3.47Å; H131-K133 PolarHBondContact O-N 3.04Å; H131-K133 VanDerWaalsContact O-N 3.15Å; H131-C134 WeakPolarHBondContact O-CA 3.43Å; H131-C134 PolarHBondContact O-N 3.02Å; H131-I135 PolarHBondContact CD2-O 3.35Å; H131-L196 HydrophobicContact CB-CD1 4.09Å; H131-L196 PolarHBondContact CE1-O 2.96Å; H131-D199 IonicContact CD2-OD2 3.59Å; H131-D199 IonicContact NE2-OD2 3.64Å; H131-D199 PolarHBondContact NE2-OD2 3.04Å; H131-I266 HydrophobicContact CB-CG2 3.96Å |
| 132 | S | 97.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 23.1 Ų | 23.1 | 56% | 0.559 | 12% | 0.122 | S | C | * | . | H | α-helix | trans | -62.6 | -19.3 | 173.2 | 79.7 | 0 | 0 | 0 | 0 | 114 | H128 Y129 L130 | H128-S132 WeakPolarHBondContact O-CB 3.35Å; H128-S132 PolarHBondContact O-N 3.12Å; Y129-S132 PolarHBondContact O-N 2.98Å; Y129-S132 PolarHBondContact O-OG 3.44Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.49Å |
| 133 | K | 96.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 23.2 Ų | 23.2 | 30% | 0.304 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10.1 | 174.2 | -70.7 | 175 | 171.1 | -93.6 | 0 | 112.8 | E70 I71 Y129 L130 H131 I135 | E70-K133 WeakPolarHBondContact O-CE 3.44Å; E70-K133 PolarHBondContact O-NZ 3.24Å; I71-K133 HydrophobicContact CG2-CD 4.43Å; Y129-K133 HydrophobicContact CE1-CD 4.03Å; Y129-K133 VanDerWaalsContact CZ-CE 3.42Å; Y129-K133 WeakPolarHBondContact OH-CE 3.36Å; L130-K133 CarbonylContact O-C 3.47Å; L130-K133 WeakPolarHBondContact O-CA 3.39Å; L130-K133 WeakPolarHBondContact O-CB 3.43Å; L130-K133 PolarHBondContact O-N 3.49Å; H131-K133 PolarHBondContact O-N 3.04Å; H131-K133 VanDerWaalsContact O-N 3.15Å; K133-I135 HydrophobicContact CB-CD1 3.84Å; K133-I135 HydrophobicContact CB-CG1 4.16Å; K133-I135 HydrophobicContact CD-CD1 4.39Å; K133-I135 PolarHBondContact O-N 3Å |
| 134 | C | 96.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 23.6 Ų | 23.6 | 41% | 0.412 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 36.4 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | L130 H131 Q167 I168 | L130-C134 PolarHBondContact O-N 3.26Å; H131-C134 WeakPolarHBondContact O-CA 3.43Å; H131-C134 PolarHBondContact O-N 3.02Å; C134-Q167 CarbonylContact O-C 3.58Å; C134-Q167 WeakPolarHBondContact O-CA 3.11Å; C134-I168 WeakPolarHBondContact CB-O 3.44Å; C134-I168 PolarHBondContact O-N 3.32Å |
| 135 | I | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.4 | 176.7 | -63.2 | 163.9 | 0 | 0 | 0 | 108.6 | I67 I71 L130 H131 K133 H166 Q167 | I67-I135 HydrophobicContact CD1-CG2 4.46Å; I67-I135 HydrophobicContact CG2-CD1 4.3Å; I67-I135 HydrophobicContact CG2-CG2 4.07Å; I71-I135 HydrophobicContact CG2-CD1 3.9Å; L130-I135 CarbonylContact C-O 3.52Å; L130-I135 HydrophobicContact CB-CB 4.35Å; L130-I135 WeakPolarHBondContact CB-O 3.43Å; L130-I135 HydrophobicContact CD2-CB 4.43Å; L130-I135 HydrophobicContact CD2-CG2 4.17Å; L130-I135 PolarHBondContact O-N 2.89Å; H131-I135 PolarHBondContact CD2-O 3.35Å; K133-I135 HydrophobicContact CB-CD1 3.84Å; K133-I135 HydrophobicContact CB-CG1 4.16Å; K133-I135 HydrophobicContact CD-CD1 4.39Å; K133-I135 PolarHBondContact O-N 3Å; I135-H166 WeakPolarHBondContact CA-O 3.47Å; I135-Q167 HydrophobicContact CG1-CB 4.45Å; I135-Q167 HydrophobicContact CG1-CG 4.43Å |
| 136 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F138 A165 H166 I168 L196 D199 | A136-F138 HydrophobicContact CB-CD1 4.05Å; A136-F138 HydrophobicContact CB-CD2 3.89Å; A136-F138 HydrophobicContact CB-CE1 3.7Å; A136-F138 HydrophobicContact CB-CE2 3.55Å; A136-F138 HydrophobicContact CB-CG 4.14Å; A136-F138 HydrophobicContact CB-CZ 3.45Å; A136-F138 VanDerWaalsContact CB-CZ 3.45Å; A136-A165 VanDerWaalsContact O-CA 3.3Å; A136-A165 WeakPolarHBondContact O-CA 3.12Å; A136-A165 WeakPolarHBondContact O-CB 3.45Å; A136-H166 PolarHBondContact N-O 3.1Å; A136-H166 PolarHBondContact O-N 2.95Å; A136-I168 HydrophobicContact CB-CD1 4.23Å; A136-I168 HydrophobicContact CB-CG1 4.19Å; A136-L196 HydrophobicContact CB-CD2 4.05Å; A136-D199 WeakPolarHBondContact CA-OD2 3.21Å |
| 137 | H | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -79.8 | -40.6 | 177.5 | -172.1 | -78.3 | 0 | 0 | 0 | 111.9 | L130 D139 L140 I160 D161 F162 D199 | L130-H137 HydrophobicContact CD1-CB 4.3Å; H137-D139 PolarHBondContact CE1-O 3.35Å; H137-D139 VanDerWaalsContact ND1-C 3.27Å; H137-D139 PolarHBondContact ND1-N 2.91Å; H137-D139 PolarHBondContact ND1-O 3.47Å; H137-D139 PolarHBondContact O-N 3.03Å; H137-L140 HydrophobicContact CB-CD2 4.06Å; H137-L140 HydrophobicContact CB-CG 3.99Å; H137-L140 PolarHBondContact ND1-N 2.82Å; H137-I160 PolarHBondContact NE2-O 3.4Å; H137-I160 VanDerWaalsContact NE2-O 3.14Å; H137-D161 PolarHBondContact CE1-O 3.43Å; H137-D161 PolarHBondContact NE2-O 3.34Å; H137-F162 AromaticContact CD2-CE1 3.84Å; H137-F162 AromaticContact CD2-CZ 3.82Å; H137-D199 PolarHBondContact N-OD1 3.5Å; H137-D199 PolarHBondContact N-OD2 2.9Å | ||
| 138 | F | 95.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 4% | 0.044 | 13% | 0.133 | C | C | . | . | trans | 61.7 | -16 | -178.7 | -65.3 | -50.7 | 0 | 0 | 0 | 117.7 | A136 I164 H166 I168 F174 L194 G195 A198 D199 | A136-F138 HydrophobicContact CB-CD1 4.05Å; A136-F138 HydrophobicContact CB-CD2 3.89Å; A136-F138 HydrophobicContact CB-CE1 3.7Å; A136-F138 HydrophobicContact CB-CE2 3.55Å; A136-F138 HydrophobicContact CB-CG 4.14Å; A136-F138 HydrophobicContact CB-CZ 3.45Å; A136-F138 VanDerWaalsContact CB-CZ 3.45Å; F138-I164 HydrophobicContact CB-CD1 3.86Å; F138-I164 HydrophobicContact CB-CG1 4.09Å; F138-H166 HydrophobicContact CD2-CB 4.09Å; F138-H166 HydrophobicContact CE2-CB 3.67Å; F138-I168 HydrophobicContact CE2-CD1 4.17Å; F138-I168 HydrophobicContact CZ-CD1 3.88Å; F138-F174 HydrophobicContact CD2-CE1 4.25Å; F138-F174 HydrophobicContact CE2-CD1 4.02Å; F138-F174 AromaticContact CE2-CE1 3.45Å; F138-F174 HydrophobicContact CE2-CE1 3.45Å; F138-F174 VanDerWaalsContact CE2-CE1 3.45Å; F138-F174 HydrophobicContact CE2-CZ 4.44Å; F138-F174 HydrophobicContact CZ-CD1 4.07Å; F138-F174 AromaticContact CZ-CE1 3.88Å; F138-F174 HydrophobicContact CZ-CE1 3.88Å; F138-L194 HydrophobicContact CE1-CB 4.23Å; F138-L194 HydrophobicContact CZ-CB 4.06Å; F138-G195 WeakPolarHBondContact CE1-O 3.5Å; F138-A198 HydrophobicContact CD1-CB 3.94Å; F138-A198 HydrophobicContact CE1-CB 3.77Å; F138-D199 PolarHBondContact N-OD1 2.93Å | ||
| 139 | D | 94.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 25 Ų | 25 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | trans | -117.6 | 41.6 | 174.9 | -155.5 | 28.5 | 0 | 0 | 0 | 112.9 | H137 K141 N144 I164 | H137-D139 PolarHBondContact CE1-O 3.35Å; H137-D139 VanDerWaalsContact ND1-C 3.27Å; H137-D139 PolarHBondContact ND1-N 2.91Å; H137-D139 PolarHBondContact ND1-O 3.47Å; H137-D139 PolarHBondContact O-N 3.03Å; D139-K141 PolarHBondContact O-N 2.95Å; D139-K141 IonicContact OD1-NZ 2.61Å; D139-K141 PolarHBondContact OD1-NZ 2.92Å; D139-K141 WeakPolarHBondContact OD2-CE 3.47Å; D139-K141 IonicContact OD2-NZ 3.71Å; D139-K141 PolarHBondContact OD2-NZ 3.36Å; D139-N144 VanDerWaalsContact CG-ND2 3.34Å; D139-N144 PolarHBondContact O-ND2 3.41Å; D139-N144 PolarHBondContact OD2-ND2 3.01Å; D139-I164 HydrophobicContact CB-CD1 3.7Å; D139-I164 HydrophobicContact CB-CG1 3.78Å | ||
| 140 | L | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | trans | -74 | 111.9 | 175.1 | -69.2 | 179 | 0 | 0 | 0 | 109.9 | V127 H137 L159 D199 S202 I203 I206 | V127-L140 HydrophobicContact CG2-CD1 3.82Å; V127-L140 HydrophobicContact CG2-CD2 4.46Å; H137-L140 HydrophobicContact CB-CD2 4.06Å; H137-L140 HydrophobicContact CB-CG 3.99Å; H137-L140 PolarHBondContact ND1-N 2.82Å; L140-L159 HydrophobicContact CD2-CD1 4.46Å; L140-L159 HydrophobicContact CD2-CD2 4.38Å; L140-D199 HydrophobicContact CD1-CB 3.74Å; L140-S202 WeakPolarHBondContact O-CB 3.35Å; L140-I203 HydrophobicContact CD1-CD1 4.26Å; L140-I203 HydrophobicContact CD1-CG1 3.97Å; L140-I206 HydrophobicContact CB-CD1 4.08Å | ||
| 141 | K | 93.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -153.6 | 162.2 | 179.9 | 59.8 | -175.9 | -171.2 | -140.2 | 0 | 110.2 | D139 E143 N144 I145 F183 | D139-K141 PolarHBondContact O-N 2.95Å; D139-K141 IonicContact OD1-NZ 2.61Å; D139-K141 PolarHBondContact OD1-NZ 2.92Å; D139-K141 WeakPolarHBondContact OD2-CE 3.47Å; D139-K141 IonicContact OD2-NZ 3.71Å; D139-K141 PolarHBondContact OD2-NZ 3.36Å; K141-E143 VanDerWaalsContact CB-OE2 3.31Å; K141-E143 WeakPolarHBondContact CB-OE2 3.31Å; K141-E143 WeakPolarHBondContact CD-OE2 3.49Å; K141-E143 HydrophobicContact CG-CB 4.49Å; K141-E143 WeakPolarHBondContact CG-OE2 3.39Å; K141-E143 PolarHBondContact O-N 3.49Å; K141-E143 VanDerWaalsContact O-N 3.16Å; K141-N144 WeakPolarHBondContact CE-ND2 3.45Å; K141-N144 HydrophobicContact CG-CB 4.19Å; K141-N144 PolarHBondContact O-N 3.29Å; K141-I145 WeakPolarHBondContact O-CG1 3.39Å; K141-F183 HydrophobicContact CB-CD1 4.32Å; K141-F183 HydrophobicContact CB-CD2 3.83Å; K141-F183 HydrophobicContact CB-CE1 4.49Å; K141-F183 HydrophobicContact CB-CE2 4.01Å; K141-F183 HydrophobicContact CB-CG 3.99Å; K141-F183 HydrophobicContact CB-CZ 4.35Å |
| 142 | P | 91.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.019 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -48.1 | -41.4 | -179.1 | -32.6 | 39.2 | 0 | 0 | 0 | 114.4 | F102 N144 I145 F183 | F102-P142 HydrophobicContact CB-CB 4.43Å; F102-P142 HydrophobicContact CD1-CB 4.3Å; F102-P142 HydrophobicContact CD1-CG 4.34Å; F102-P142 HydrophobicContact CD2-CB 3.6Å; F102-P142 HydrophobicContact CD2-CG 4.12Å; F102-P142 HydrophobicContact CE1-CG 4.17Å; F102-P142 HydrophobicContact CE2-CB 3.87Å; F102-P142 HydrophobicContact CE2-CG 3.92Å; F102-P142 HydrophobicContact CG-CB 3.85Å; F102-P142 HydrophobicContact CG-CG 4.34Å; F102-P142 HydrophobicContact CZ-CB 4.35Å; F102-P142 HydrophobicContact CZ-CG 3.95Å; P142-N144 PolarHBondContact O-N 3.44Å; P142-I145 PolarHBondContact O-N 2.88Å; P142-I145 VanDerWaalsContact O-N 3.14Å; P142-F183 HydrophobicContact CG-CE1 3.97Å; P142-F183 HydrophobicContact CG-CZ 3.83Å |
| 143 | E | 90.1 | Very high | 93.7 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -65.3 | -27.3 | -177.5 | -54.8 | 80.9 | -174.6 | 0 | 0 | 112.2 | K141 S309 M313 | K141-E143 VanDerWaalsContact CB-OE2 3.31Å; K141-E143 WeakPolarHBondContact CB-OE2 3.31Å; K141-E143 WeakPolarHBondContact CD-OE2 3.49Å; K141-E143 HydrophobicContact CG-CB 4.49Å; K141-E143 WeakPolarHBondContact CG-OE2 3.39Å; K141-E143 PolarHBondContact O-N 3.49Å; K141-E143 VanDerWaalsContact O-N 3.16Å; E143-S309 PolarHBondContact OE1-OG 3Å; E143-M313 HydrophobicContact CG-CE 4.38Å |
| 144 | N | 94.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -94.2 | 7.4 | -179.3 | -71.1 | -14.7 | 0 | 0 | 0 | 113.3 | D139 K141 P142 I160 | D139-N144 VanDerWaalsContact CG-ND2 3.34Å; D139-N144 PolarHBondContact O-ND2 3.41Å; D139-N144 PolarHBondContact OD2-ND2 3.01Å; K141-N144 WeakPolarHBondContact CE-ND2 3.45Å; K141-N144 HydrophobicContact CG-CB 4.19Å; K141-N144 PolarHBondContact O-N 3.29Å; P142-N144 PolarHBondContact O-N 3.44Å; N144-I160 HydrophobicContact CB-CG1 4.22Å; N144-I160 WeakPolarHBondContact O-CG1 3.39Å; N144-I160 PolarHBondContact O-N 2.89Å |
| 145 | I | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 89.1 | 177.9 | -57.8 | 164.4 | 0 | 0 | 0 | 108.5 | L101 I123 K141 P142 I157 L159 I206 | L101-I145 HydrophobicContact CB-CG2 3.92Å; L101-I145 WeakPolarHBondContact CB-O 3.32Å; L101-I145 HydrophobicContact CD2-CG2 3.76Å; L101-I145 HydrophobicContact CG-CG2 4.49Å; L101-I145 PolarHBondContact N-O 3.18Å; I123-I145 HydrophobicContact CD1-CD1 3.95Å; I123-I145 HydrophobicContact CD1-CG2 4.03Å; I123-I145 HydrophobicContact CG1-CG2 4.12Å; K141-I145 WeakPolarHBondContact O-CG1 3.39Å; P142-I145 PolarHBondContact O-N 2.88Å; P142-I145 VanDerWaalsContact O-N 3.14Å; I145-I157 HydrophobicContact CG2-CD1 4.12Å; I145-I157 HydrophobicContact CG2-CG1 4.45Å; I145-I157 HydrophobicContact CG2-CG2 3.7Å; I145-L159 HydrophobicContact CG1-CD2 3.98Å; I145-I206 HydrophobicContact CD1-CD1 3.73Å; I145-I206 HydrophobicContact CD1-CG1 4.35Å; I145-I206 HydrophobicContact CD1-CG2 4.07Å |
| 146 | M | 95.9 | Very high | 92.9 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 19% | 0.192 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 162.2 | -175 | -65.3 | -161 | 83.6 | 0 | 0 | 112.8 | V96 G99 I157 K158 I160 | V96-M146 HydrophobicContact CG1-CB 3.5Å; V96-M146 VanDerWaalsContact CG1-CB 3.5Å; V96-M146 HydrophobicContact CG1-CG 4.49Å; V96-M146 HydrophobicContact CG1-SD 4.23Å; G99-M146 CarbonylContact O-C 3.56Å; G99-M146 WeakPolarHBondContact O-CA 3.37Å; M146-I157 CarbonylContact O-C 3.51Å; M146-I157 WeakPolarHBondContact O-CA 3.34Å; M146-K158 PolarHBondContact N-O 2.95Å; M146-K158 PolarHBondContact O-N 2.97Å; M146-I160 HydrophobicContact CB-CG2 4.34Å; M146-I160 HydrophobicContact CG-CD1 3.73Å; M146-I160 HydrophobicContact CG-CG1 4.03Å; M146-I160 HydrophobicContact CG-CG2 4.3Å; M146-I160 HydrophobicContact SD-CD1 3.44Å; M146-I160 WeakPolarHBondContact SD-CD1 3.34Å; M146-I160 HydrophobicContact SD-CG1 4.29Å; M146-I160 HydrophobicContact SD-CG2 4.38Å |
| 147 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135 | 173 | -60.6 | -178.5 | 0 | 0 | 0 | 110.2 | V96 G98 G99 L101 F104 P155 R156 I157 | V96-L147 WeakPolarHBondContact CG1-O 3.48Å; G98-L147 WeakPolarHBondContact CA-O 3.34Å; G98-L147 PolarHBondContact N-O 3.45Å; G99-L147 PolarHBondContact O-N 2.68Å; L101-L147 HydrophobicContact CB-CD2 4.49Å; L101-L147 HydrophobicContact CD1-CD2 4.01Å; F104-L147 HydrophobicContact CB-CD1 3.45Å; F104-L147 VanDerWaalsContact CB-CD1 3.45Å; F104-L147 HydrophobicContact CD1-CD1 3.63Å; F104-L147 HydrophobicContact CD2-CD1 4.06Å; F104-L147 HydrophobicContact CE1-CD1 4.35Å; F104-L147 HydrophobicContact CG-CD1 3.44Å; F104-L147 VanDerWaalsContact CG-CD1 3.44Å; L147-P155 HydrophobicContact CB-CB 4.16Å; L147-P155 HydrophobicContact CD1-CB 3.86Å; L147-P155 HydrophobicContact CD1-CG 4.25Å; L147-P155 HydrophobicContact CD2-CB 3.77Å; L147-P155 HydrophobicContact CG-CB 4.14Å; L147-R156 WeakPolarHBondContact CA-O 3.38Å; L147-I157 HydrophobicContact CD2-CG1 3.91Å |
| 148 | L | 94.2 | Very high | 93 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -62.9 | -52.2 | 177 | -174.6 | 63 | 0 | 0 | 0 | 111.5 | E94 V96 S97 G98 R156 K158 | E94-L148 HydrophobicContact CG-CD1 4.42Å; E94-L148 WeakPolarHBondContact OE1-CD1 3.49Å; V96-L148 HydrophobicContact CG2-CD1 4.43Å; S97-L148 PolarHBondContact N-O 3.23Å; G98-L148 PolarHBondContact N-O 3.26Å; L148-R156 HydrophobicContact CB-CB 4.28Å; L148-R156 PolarHBondContact N-O 2.91Å; L148-K158 HydrophobicContact CB-CG 4.33Å; L148-K158 HydrophobicContact CD1-CG 4.47Å |
| 149 | D | 92.4 | Very high | 93.1 | Very high | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 22% | 0.217 | S | C | . | . | trans | -143.2 | 125.2 | 175.2 | -177.9 | 1.1 | 0 | 0 | 0 | 108.5 | N151 V152 P155 | D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 2.96Å; D149-N151 PolarHBondContact OD1-ND2 3.49Å; D149-V152 HydrophobicContact CB-CG1 4.41Å; D149-V152 WeakPolarHBondContact O-CG2 3.48Å; D149-P155 WeakPolarHBondContact O-CB 3.44Å | ||
| 150 | K | 90.3 | Very high | 93.2 | Very high | 99 Ų | 99 | 42.5 Ų | 42.5 | 43% | 0.43 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -83.9 | -14.4 | 179.5 | 65.2 | 177.6 | -177.5 | 178.6 | 0 | 113.8 | G98 F104 V152 | G98-K150 WeakPolarHBondContact O-CB 3.22Å; F104-K150 HydrophobicContact CD2-CB 4.24Å; K150-V152 VanDerWaalsContact C-N 3.25Å; K150-V152 PolarHBondContact O-N 3.5Å |
| 151 | N | 89.7 | Confident | 93 | Very high | 136 Ų | 136 | 45.1 Ų | 45.1 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -82.2 | -5.3 | -175.2 | -55.4 | -60.8 | 0 | 0 | 0 | 112.8 | D149 | D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 2.96Å; D149-N151 PolarHBondContact OD1-ND2 3.49Å |
| 152 | V | 89.4 | Confident | 93.1 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 36% | 0.358 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -93.4 | 150 | 177.6 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | D149 K150 N154 P155 | D149-V152 HydrophobicContact CB-CG1 4.41Å; D149-V152 WeakPolarHBondContact O-CG2 3.48Å; K150-V152 VanDerWaalsContact C-N 3.25Å; K150-V152 PolarHBondContact O-N 3.5Å; V152-N154 PolarHBondContact O-N 2.92Å; V152-N154 VanDerWaalsContact O-N 3.15Å; V152-P155 HydrophobicContact CG2-CB 4.45Å; V152-P155 HydrophobicContact CG2-CG 4.29Å; V152-P155 WeakPolarHBondContact O-CD 3.2Å; V152-P155 WeakPolarHBondContact O-CG 3.33Å |
| 153 | P | 82 | Confident | 93 | Very high | 133 Ų | 133 | 45.1 Ų | 45.1 | 86% | 0.864 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -59.9 | -28.3 | -176 | -27.1 | 34.9 | 0 | 0 | 0 | 115.4 | ||
| 154 | N | 85.4 | Confident | 93 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -134 | 83 | 177.6 | -143.1 | 24.2 | 0 | 0 | 0 | 109.8 | V152 | V152-N154 PolarHBondContact O-N 2.92Å; V152-N154 VanDerWaalsContact O-N 3.15Å |
| 155 | P | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 138.3 | -177.3 | -29.8 | 39.7 | 0 | 0 | 0 | 112.1 | F104 Q122 L147 D149 V152 | F104-P155 HydrophobicContact CE1-CG 4Å; F104-P155 HydrophobicContact CE2-CG 4.17Å; F104-P155 HydrophobicContact CZ-CG 3.69Å; Q122-P155 PolarHBondContact NE2-O 3.44Å; L147-P155 HydrophobicContact CB-CB 4.16Å; L147-P155 HydrophobicContact CD1-CB 3.86Å; L147-P155 HydrophobicContact CD1-CG 4.25Å; L147-P155 HydrophobicContact CD2-CB 3.77Å; L147-P155 HydrophobicContact CG-CB 4.14Å; D149-P155 WeakPolarHBondContact O-CB 3.44Å; V152-P155 HydrophobicContact CG2-CB 4.45Å; V152-P155 HydrophobicContact CG2-CG 4.29Å; V152-P155 WeakPolarHBondContact O-CD 3.2Å; V152-P155 WeakPolarHBondContact O-CG 3.33Å |
| 156 | R | 96 | Very high | 92.9 | Very high | 116 Ų | 116 | 46.2 Ų | 46.2 | 44% | 0.438 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -81 | 129.4 | 175 | -174 | 176.6 | -62.1 | -97.4 | 1.3 | 109.5 | S74 L147 L148 | S74-R156 VanDerWaalsContact O-CD 3.29Å; S74-R156 WeakPolarHBondContact O-CD 3.45Å; S74-R156 PolarHBondContact OG-NH1 2.93Å; L147-R156 WeakPolarHBondContact CA-O 3.38Å; L148-R156 HydrophobicContact CB-CB 4.28Å; L148-R156 PolarHBondContact N-O 2.91Å |
| 157 | I | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 139.8 | 172.6 | -71.5 | 179.2 | 0 | 0 | 0 | 110 | N75 L101 F119 Q122 I123 I145 M146 L147 L159 | N75-I157 VanDerWaalsContact CA-O 3.23Å; N75-I157 WeakPolarHBondContact CA-O 3.29Å; N75-I157 PolarHBondContact ND2-O 3.28Å; L101-I157 HydrophobicContact CD1-CD1 4.28Å; L101-I157 HydrophobicContact CD2-CD1 3.82Å; F119-I157 HydrophobicContact CB-CD1 3.92Å; F119-I157 HydrophobicContact CD1-CD1 3.96Å; F119-I157 HydrophobicContact CD1-CG1 4.24Å; F119-I157 HydrophobicContact CG-CD1 4.43Å; F119-I157 WeakPolarHBondContact O-CD1 3.39Å; Q122-I157 HydrophobicContact CB-CB 4.09Å; Q122-I157 HydrophobicContact CB-CD1 4.15Å; Q122-I157 HydrophobicContact CB-CG1 4.39Å; I123-I157 HydrophobicContact CD1-CD1 4.21Å; I123-I157 HydrophobicContact CG1-CD1 3.76Å; I123-I157 HydrophobicContact CG1-CG2 4.26Å; I145-I157 HydrophobicContact CG2-CD1 4.12Å; I145-I157 HydrophobicContact CG2-CG1 4.45Å; I145-I157 HydrophobicContact CG2-CG2 3.7Å; M146-I157 CarbonylContact O-C 3.51Å; M146-I157 WeakPolarHBondContact O-CA 3.34Å; L147-I157 HydrophobicContact CD2-CG1 3.91Å; I157-L159 HydrophobicContact CG2-CD2 4.29Å |
| 158 | K | 97.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.5 | 168.3 | -72.2 | -76.6 | 177.9 | 162.7 | 0 | 108.4 | S74 I76 E94 V96 M146 L148 I160 | S74-K158 WeakPolarHBondContact O-CE 3.5Å; S74-K158 PolarHBondContact O-NZ 3.42Å; I76-K158 VanDerWaalsContact O-CD 3.3Å; I76-K158 WeakPolarHBondContact O-CD 3.3Å; I76-K158 PolarHBondContact O-NZ 3.44Å; E94-K158 VanDerWaalsContact CD-NZ 3.25Å; E94-K158 WeakPolarHBondContact OE1-CE 3.45Å; E94-K158 IonicContact OE1-NZ 3.8Å; E94-K158 PolarHBondContact OE1-NZ 2.94Å; E94-K158 IonicContact OE2-NZ 2.96Å; E94-K158 PolarHBondContact OE2-NZ 2.89Å; V96-K158 HydrophobicContact CG1-CB 4.15Å; V96-K158 HydrophobicContact CG1-CG 4.47Å; V96-K158 HydrophobicContact CG2-CB 4.04Å; V96-K158 HydrophobicContact CG2-CG 4.07Å; M146-K158 PolarHBondContact N-O 2.95Å; M146-K158 PolarHBondContact O-N 2.97Å; L148-K158 HydrophobicContact CB-CG 4.33Å; L148-K158 HydrophobicContact CD1-CG 4.47Å; K158-I160 HydrophobicContact CB-CG2 4.42Å |
| 159 | L | 98.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.1 | 166 | -57.5 | -179.5 | 0 | 0 | 0 | 108.3 | N75 I77 I123 V127 L140 I145 I157 | N75-L159 WeakPolarHBondContact O-CG 3.47Å; N75-L159 PolarHBondContact O-N 3.37Å; I77-L159 PolarHBondContact N-O 3.45Å; I123-L159 HydrophobicContact CG2-CD2 4.37Å; V127-L159 HydrophobicContact CG2-CD1 3.93Å; L140-L159 HydrophobicContact CD2-CD1 4.46Å; L140-L159 HydrophobicContact CD2-CD2 4.38Å; I145-L159 HydrophobicContact CG1-CD2 3.98Å; I157-L159 HydrophobicContact CG2-CD2 4.29Å |
| 160 | I | 95.8 | Very high | 91.9 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.144 | 30% | 0.303 | C | S | . | . | trans | -122.7 | 168.9 | -176.6 | 68.5 | 153 | 0 | 0 | 0 | 111 | I77 H137 N144 M146 K158 | I77-I160 HydrophobicContact CB-CG2 4.21Å; I77-I160 HydrophobicContact CD1-CB 4.37Å; I77-I160 HydrophobicContact CD1-CG2 3.9Å; H137-I160 PolarHBondContact NE2-O 3.4Å; H137-I160 VanDerWaalsContact NE2-O 3.14Å; N144-I160 HydrophobicContact CB-CG1 4.22Å; N144-I160 WeakPolarHBondContact O-CG1 3.39Å; N144-I160 PolarHBondContact O-N 2.89Å; M146-I160 HydrophobicContact CB-CG2 4.34Å; M146-I160 HydrophobicContact CG-CD1 3.73Å; M146-I160 HydrophobicContact CG-CG1 4.03Å; M146-I160 HydrophobicContact CG-CG2 4.3Å; M146-I160 HydrophobicContact SD-CD1 3.44Å; M146-I160 WeakPolarHBondContact SD-CD1 3.34Å; M146-I160 HydrophobicContact SD-CG1 4.29Å; M146-I160 HydrophobicContact SD-CG2 4.38Å; K158-I160 HydrophobicContact CB-CG2 4.42Å | ||
| 161 | D | 91.8 | Very high | 91.3 | Very high | 58 Ų | 58 | 54.5 Ų | 54.5 | 31% | 0.31 | 32% | 0.323 | S | S | . | . | trans | 62.4 | 88.8 | 176 | -156.3 | 5.9 | 0 | 0 | 0 | 116.2 | K42 H137 G163 | K42-D161 IonicContact NZ-OD1 2.77Å; K42-D161 PolarHBondContact NZ-OD1 3.21Å; H137-D161 PolarHBondContact CE1-O 3.43Å; H137-D161 PolarHBondContact NE2-O 3.34Å; D161-G163 VanDerWaalsContact C-N 3.35Å; D161-G163 PolarHBondContact OD1-N 3.17Å | ||
| 162 | F | 94.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | trans | -96.4 | 18.2 | 179.8 | -75.7 | -102.5 | 0 | 0 | 0 | 112.7 | E64 I67 L68 I71 I76 I77 L130 H137 I164 A165 | E64-F162 HydrophobicContact CG-CB 4.22Å; I67-F162 HydrophobicContact CG2-CD1 3.75Å; I67-F162 HydrophobicContact CG2-CE1 4.39Å; L68-F162 HydrophobicContact CD2-CB 4.1Å; L68-F162 HydrophobicContact CD2-CD2 3.72Å; L68-F162 HydrophobicContact CD2-CE2 4.38Å; L68-F162 HydrophobicContact CD2-CG 3.9Å; L68-F162 HydrophobicContact CG-CB 4.25Å; I71-F162 HydrophobicContact CD1-CD1 4.13Å; I71-F162 HydrophobicContact CD1-CE1 3.73Å; I71-F162 HydrophobicContact CD1-CE2 4.23Å; I71-F162 HydrophobicContact CD1-CZ 3.79Å; I76-F162 HydrophobicContact CG2-CE1 4.48Å; I76-F162 HydrophobicContact CG2-CE2 3.66Å; I76-F162 HydrophobicContact CG2-CZ 3.42Å; I76-F162 VanDerWaalsContact CG2-CZ 3.42Å; I77-F162 HydrophobicContact CG2-CD2 4.15Å; I77-F162 HydrophobicContact CG2-CE2 4.01Å; L130-F162 HydrophobicContact CD1-CE1 3.85Å; L130-F162 HydrophobicContact CD1-CZ 4.07Å; L130-F162 HydrophobicContact CD2-CE1 3.72Å; L130-F162 HydrophobicContact CD2-CZ 4.21Å; L130-F162 HydrophobicContact CG-CE1 4.45Å; H137-F162 AromaticContact CD2-CE1 3.84Å; H137-F162 AromaticContact CD2-CZ 3.82Å; F162-I164 PolarHBondContact O-N 3.38Å; F162-I164 VanDerWaalsContact O-N 3.16Å; F162-A165 HydrophobicContact CB-CB 4Å; F162-A165 HydrophobicContact CD1-CB 3.71Å; F162-A165 HydrophobicContact CG-CB 4.3Å; F162-A165 WeakPolarHBondContact O-CB 3.34Å; F162-A165 PolarHBondContact O-N 3.46Å | ||
| 163 | G | 90.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 30% | 0.299 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D161 | D161-G163 VanDerWaalsContact C-N 3.35Å; D161-G163 PolarHBondContact OD1-N 3.17Å |
| 164 | I | 90.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 6.6 | 175.5 | 68.5 | 167 | 0 | 0 | 0 | 113.6 | F138 D139 F162 F178 Y319 | F138-I164 HydrophobicContact CB-CD1 3.86Å; F138-I164 HydrophobicContact CB-CG1 4.09Å; D139-I164 HydrophobicContact CB-CD1 3.7Å; D139-I164 HydrophobicContact CB-CG1 3.78Å; F162-I164 PolarHBondContact O-N 3.38Å; F162-I164 VanDerWaalsContact O-N 3.16Å; I164-F178 HydrophobicContact CD1-CB 3.94Å; I164-Y319 HydrophobicContact CG2-CE2 4.44Å; I164-Y319 WeakPolarHBondContact CG2-OH 3.47Å |
| 165 | A | 94.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | trans | -61.7 | 147.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R63 I67 A136 F162 | R63-A165 WeakPolarHBondContact CD-O 3.37Å; I67-A165 HydrophobicContact CD1-CB 3.81Å; I67-A165 VanDerWaalsContact CD1-O 3.3Å; I67-A165 WeakPolarHBondContact CD1-O 3.48Å; I67-A165 HydrophobicContact CG2-CB 4.46Å; A136-A165 VanDerWaalsContact O-CA 3.3Å; A136-A165 WeakPolarHBondContact O-CA 3.12Å; A136-A165 WeakPolarHBondContact O-CB 3.45Å; F162-A165 HydrophobicContact CB-CB 4Å; F162-A165 HydrophobicContact CD1-CB 3.71Å; F162-A165 HydrophobicContact CG-CB 4.3Å; F162-A165 WeakPolarHBondContact O-CB 3.34Å; F162-A165 PolarHBondContact O-N 3.46Å | ||
| 166 | H | 94.5 | Very high | 90.9 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 18% | 0.181 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.2 | -176.9 | -152.1 | 87.6 | 0 | 0 | 0 | 111.8 | I135 A136 F138 F174 | I135-H166 WeakPolarHBondContact CA-O 3.47Å; A136-H166 PolarHBondContact N-O 3.1Å; A136-H166 PolarHBondContact O-N 2.95Å; F138-H166 HydrophobicContact CD2-CB 4.09Å; F138-H166 HydrophobicContact CE2-CB 3.67Å; H166-F174 HydrophobicContact CB-CE1 4.2Å; H166-F174 HydrophobicContact CB-CZ 4.24Å; H166-F174 AromaticContact CE1-CE2 3.65Å; H166-F174 AromaticContact CG-CZ 3.85Å; H166-F174 AromaticContact ND1-CE2 3.76Å; H166-F174 AromaticContact ND1-CZ 3.76Å; H166-F174 AromaticContact NE2-CD2 3.89Å; H166-F174 AromaticContact NE2-CE2 3.92Å |
| 167 | Q | 95.2 | Very high | 90.2 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 114.5 | 170.9 | -171.4 | 177 | 52.3 | 0 | 0 | 109.8 | C134 I135 K169 | C134-Q167 CarbonylContact O-C 3.58Å; C134-Q167 WeakPolarHBondContact O-CA 3.11Å; I135-Q167 HydrophobicContact CG1-CB 4.45Å; I135-Q167 HydrophobicContact CG1-CG 4.43Å; Q167-K169 PolarHBondContact O-N 2.98Å |
| 168 | I | 93.1 | Very high | 89.5 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 20% | 0.2 | 29% | 0.288 | C | S | . | . | trans | -76.2 | 113.4 | 178.1 | -50.6 | -55.9 | 0 | 0 | 0 | 108.7 | C134 A136 F138 F174 L196 | C134-I168 WeakPolarHBondContact CB-O 3.44Å; C134-I168 PolarHBondContact O-N 3.32Å; A136-I168 HydrophobicContact CB-CD1 4.23Å; A136-I168 HydrophobicContact CB-CG1 4.19Å; F138-I168 HydrophobicContact CE2-CD1 4.17Å; F138-I168 HydrophobicContact CZ-CD1 3.88Å; I168-F174 HydrophobicContact CD1-CD1 4.42Å; I168-L196 HydrophobicContact CB-CD2 4.47Å; I168-L196 HydrophobicContact CG1-CD2 3.82Å; I168-L196 HydrophobicContact CG1-CG 4.35Å | ||
| 169 | K | 88.6 | Confident | 88.3 | Confident | 121 Ų | 121 | 50.2 Ų | 50.2 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | trans | -101.6 | 132.2 | 178.9 | -65.3 | -176.7 | -177.4 | 179.5 | 0 | 110.2 | Q167 G171 N172 | Q167-K169 PolarHBondContact O-N 2.98Å; K169-G171 PolarHBondContact O-N 3.48Å; K169-N172 HydrophobicContact CB-CB 4.32Å; K169-N172 PolarHBondContact O-N 3Å; K169-N172 VanDerWaalsContact O-N 3.14Å | ||
| 170 | A | 81.2 | Confident | 87.4 | Confident | 110 Ų | 110 | 52.3 Ų | 52.3 | 91% | 0.909 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | N172 | A170-N172 VanDerWaalsContact C-N 3.33Š|
| 171 | G | 76.6 | Confident | 86.8 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 86% | 0.856 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K169 | K169-G171 PolarHBondContact O-N 3.48Š|
| 172 | N | 83.3 | Confident | 86.7 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | trans | -99 | 119.7 | 173.4 | -73.9 | 11.3 | 0 | 0 | 0 | 110.1 | K169 A170 F174 | K169-N172 HydrophobicContact CB-CB 4.32Å; K169-N172 PolarHBondContact O-N 3Å; K169-N172 VanDerWaalsContact O-N 3.14Å; A170-N172 VanDerWaalsContact C-N 3.33Å; N172-F174 PolarHBondContact O-N 3.19Å | ||
| 173 | E | 86.8 | Confident | 86.6 | Confident | 139 Ų | 139 | 50.1 Ų | 50.1 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | trans | -70.8 | 125.6 | 169.1 | -66.6 | -162.3 | 179.4 | 0 | 0 | 109.8 | K175 L193 | E173-K175 IonicContact OE2-NZ 3.37Å; E173-K175 PolarHBondContact OE2-NZ 3.29Å; E173-L193 HydrophobicContact CB-CD2 3.47Å; E173-L193 VanDerWaalsContact CB-CD2 3.47Å; E173-L193 HydrophobicContact CG-CD2 3.54Å | ||
| 174 | F | 88.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | trans | -119.9 | 120.7 | 173.6 | -176.5 | -116.8 | 0 | 0 | 0 | 108.7 | F138 H166 I168 N172 F178 L194 | F138-F174 HydrophobicContact CD2-CE1 4.25Å; F138-F174 HydrophobicContact CE2-CD1 4.02Å; F138-F174 AromaticContact CE2-CE1 3.45Å; F138-F174 HydrophobicContact CE2-CE1 3.45Å; F138-F174 VanDerWaalsContact CE2-CE1 3.45Å; F138-F174 HydrophobicContact CE2-CZ 4.44Å; F138-F174 HydrophobicContact CZ-CD1 4.07Å; F138-F174 AromaticContact CZ-CE1 3.88Å; F138-F174 HydrophobicContact CZ-CE1 3.88Å; H166-F174 HydrophobicContact CB-CE1 4.2Å; H166-F174 HydrophobicContact CB-CZ 4.24Å; H166-F174 AromaticContact CE1-CE2 3.65Å; H166-F174 AromaticContact CG-CZ 3.85Å; H166-F174 AromaticContact ND1-CE2 3.76Å; H166-F174 AromaticContact ND1-CZ 3.76Å; H166-F174 AromaticContact NE2-CD2 3.89Å; H166-F174 AromaticContact NE2-CE2 3.92Å; I168-F174 HydrophobicContact CD1-CD1 4.42Å; N172-F174 PolarHBondContact O-N 3.19Å; F174-F178 HydrophobicContact CE1-CE2 4.5Å; F174-F178 AromaticContact CZ-CE2 3.9Å; F174-F178 HydrophobicContact CZ-CE2 3.9Å; F174-L194 HydrophobicContact CD1-CB 3.85Å; F174-L194 HydrophobicContact CD1-CD1 4.1Å; F174-L194 HydrophobicContact CD1-CG 4.49Å; F174-L194 HydrophobicContact CE1-CB 4.46Å; F174-L194 HydrophobicContact CE1-CD1 4Å; F174-L194 WeakPolarHBondContact O-CB 3.43Å; F174-L194 PolarHBondContact O-N 3Å | ||
| 175 | K | 88.8 | Confident | 86.9 | Confident | 78 Ų | 78 | 48 Ų | 48 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | trans | -135.1 | 133.8 | 178.8 | -60.4 | -177.2 | -175.3 | 162.9 | 0 | 108.2 | E173 Y191 L193 | E173-K175 IonicContact OE2-NZ 3.37Å; E173-K175 PolarHBondContact OE2-NZ 3.29Å; K175-Y191 HydrophobicContact CB-CE1 4.33Å; K175-Y191 HydrophobicContact CB-CE2 4.4Å; K175-L193 HydrophobicContact CD-CD2 4.37Å; K175-L193 HydrophobicContact CG-CD2 4.02Å | ||
| 176 | N | 84.4 | Confident | 87 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | trans | -166.3 | 170.1 | 172.9 | -139.3 | -52.3 | 0 | 0 | 0 | 112 | F178 L194 | N176-F178 HydrophobicContact CB-CD1 4.41Å; N176-F178 HydrophobicContact CB-CD2 3.65Å; N176-F178 HydrophobicContact CB-CE1 3.97Å; N176-F178 HydrophobicContact CB-CE2 3.12Å; N176-F178 HydrophobicContact CB-CG 4.3Å; N176-F178 HydrophobicContact CB-CZ 3.36Å; N176-F178 WeakPolarHBondContact ND2-CE1 3.34Å; N176-F178 WeakPolarHBondContact ND2-CZ 3.33Å; N176-F178 WeakPolarHBondContact OD1-CE1 3.39Å; N176-F178 WeakPolarHBondContact OD1-CZ 3.45Å; N176-L194 HydrophobicContact CB-CD1 4.34Å | ||
| 177 | I | 82.8 | Confident | 87 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | trans | -120.8 | 102.9 | 173.8 | -47.8 | -177.2 | 0 | 0 | 0 | 108.6 | I188 Y191 F322 F325 | I177-I188 HydrophobicContact CG2-CG2 4.47Å; I177-Y191 HydrophobicContact CD1-CD2 3.9Å; I177-Y191 HydrophobicContact CG1-CD2 3.56Å; I177-Y191 HydrophobicContact CG1-CE2 4.13Å; I177-F322 HydrophobicContact CG2-CD1 3.44Å; I177-F322 VanDerWaalsContact CG2-CD1 3.44Å; I177-F322 HydrophobicContact CG2-CE1 3.74Å; I177-F322 HydrophobicContact CG2-CG 4.36Å; I177-F325 HydrophobicContact CD1-CD1 4.23Å; I177-F325 HydrophobicContact CD1-CE1 4.32Å | ||
| 178 | F | 80.9 | Confident | 86.9 | Confident | 36 Ų | 36 | 43.4 Ų | 43.4 | 16% | 0.158 | 25% | 0.252 | C | S | . | . | trans | -135.3 | 176.3 | 178.4 | -45.7 | -62.2 | 0 | 0 | 0 | 111.8 | I164 F174 N176 V184 | I164-F178 HydrophobicContact CD1-CB 3.94Å; F174-F178 HydrophobicContact CE1-CE2 4.5Å; F174-F178 AromaticContact CZ-CE2 3.9Å; F174-F178 HydrophobicContact CZ-CE2 3.9Å; N176-F178 HydrophobicContact CB-CD1 4.41Å; N176-F178 HydrophobicContact CB-CD2 3.65Å; N176-F178 HydrophobicContact CB-CE1 3.97Å; N176-F178 HydrophobicContact CB-CE2 3.12Å; N176-F178 HydrophobicContact CB-CG 4.3Å; N176-F178 HydrophobicContact CB-CZ 3.36Å; N176-F178 WeakPolarHBondContact ND2-CE1 3.34Å; N176-F178 WeakPolarHBondContact ND2-CZ 3.33Å; N176-F178 WeakPolarHBondContact OD1-CE1 3.39Å; N176-F178 WeakPolarHBondContact OD1-CZ 3.45Å; F178-V184 WeakPolarHBondContact O-CG1 3.48Å | ||
| 179 | G | 72.8 | Confident | 86.8 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 88.7 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 180 | T | 81.3 | Confident | 86.8 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 27% | 0.27 | 24% | 0.243 | S | C | . | . | trans | -81.7 | 124.8 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | E182 F183 V184 | T180-E182 PolarHBondContact O-N 3.47Å; T180-F183 HydrophobicContact CG2-CD2 4.03Å; T180-F183 HydrophobicContact CG2-CE2 4.28Å; T180-F183 PolarHBondContact O-N 3.4Å; T180-V184 WeakPolarHBondContact O-CG1 3.47Å; T180-V184 PolarHBondContact O-N 3.32Å | ||
| 181 | P | 82.3 | Confident | 87.2 | Confident | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -37 | -173.8 | -35.3 | 37.3 | 0 | 0 | 0 | 116.6 | F183 V184 K222 T225 L226 I229 T318 F322 | P181-F183 VanDerWaalsContact C-N 3.26Å; P181-F183 PolarHBondContact O-N 2.95Å; P181-V184 WeakPolarHBondContact O-CG2 3.48Å; P181-K222 HydrophobicContact CG-CG 4.34Å; P181-T225 HydrophobicContact CB-CG2 4.34Å; P181-L226 HydrophobicContact CB-CD2 4.41Å; P181-I229 WeakPolarHBondContact O-CD1 3.49Å; P181-T318 HydrophobicContact CG-CG2 4.38Å; P181-F322 HydrophobicContact CG-CE2 3.56Å; P181-F322 HydrophobicContact CG-CZ 3.9Å |
| 182 | E | 89.1 | Confident | 88 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27 | -177.4 | -173.3 | -179.7 | 170.1 | 0 | 0 | 113.6 | T180 S215 L218 Y305 | T180-E182 PolarHBondContact O-N 3.47Å; E182-S215 WeakPolarHBondContact CG-OG 3.13Å; E182-S215 WeakPolarHBondContact OE1-CB 3.33Å; E182-S215 PolarHBondContact OE1-OG 2.8Å; E182-L218 HydrophobicContact CG-CB 4.33Å; E182-Y305 PolarHBondContact OE1-OH 3.23Å; E182-Y305 PolarHBondContact OE2-OH 3.44Å |
| 183 | F | 92.4 | Very high | 88.4 | Confident | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -4.2 | -171.1 | -55.9 | -82.3 | 0 | 0 | 0 | 113.9 | K141 P142 T180 P181 S202 V205 I206 I209 Y305 | K141-F183 HydrophobicContact CB-CD1 4.32Å; K141-F183 HydrophobicContact CB-CD2 3.83Å; K141-F183 HydrophobicContact CB-CE1 4.49Å; K141-F183 HydrophobicContact CB-CE2 4.01Å; K141-F183 HydrophobicContact CB-CG 3.99Å; K141-F183 HydrophobicContact CB-CZ 4.35Å; P142-F183 HydrophobicContact CG-CE1 3.97Å; P142-F183 HydrophobicContact CG-CZ 3.83Å; T180-F183 HydrophobicContact CG2-CD2 4.03Å; T180-F183 HydrophobicContact CG2-CE2 4.28Å; T180-F183 PolarHBondContact O-N 3.4Å; P181-F183 VanDerWaalsContact C-N 3.26Å; P181-F183 PolarHBondContact O-N 2.95Å; F183-S202 PolarHBondContact O-OG 2.97Å; F183-V205 HydrophobicContact CD1-CB 4.22Å; F183-V205 HydrophobicContact CD1-CG1 3.55Å; F183-V205 HydrophobicContact CE1-CG1 3.88Å; F183-V205 HydrophobicContact CG-CG1 4.46Å; F183-I206 HydrophobicContact CD1-CG1 4.42Å; F183-I206 HydrophobicContact CE1-CG1 4.49Å; F183-I209 HydrophobicContact CE1-CD1 3.57Å; F183-I209 HydrophobicContact CZ-CD1 4.1Å; F183-Y305 WeakPolarHBondContact CZ-OH 3.45Å |
| 184 | V | 92.6 | Very high | 88.7 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -78.7 | 144.8 | -177.7 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | F178 T180 P181 I188 V189 W201 I229 | F178-V184 WeakPolarHBondContact O-CG1 3.48Å; T180-V184 WeakPolarHBondContact O-CG1 3.47Å; T180-V184 PolarHBondContact O-N 3.32Å; P181-V184 WeakPolarHBondContact O-CG2 3.48Å; V184-I188 HydrophobicContact CB-CB 4.31Å; V184-I188 HydrophobicContact CB-CD1 4.22Å; V184-I188 HydrophobicContact CB-CG2 4.28Å; V184-I188 HydrophobicContact CG1-CD1 4.46Å; V184-I188 HydrophobicContact CG1-CG2 4.41Å; V184-V189 HydrophobicContact CG2-CG2 3.68Å; V184-W201 PolarHBondContact O-NE1 3.34Å; V184-I229 HydrophobicContact CG2-CD1 4.27Å | ||
| 185 | A | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -77 | 154.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E187 I188 V189 A198 W201 | A185-E187 HydrophobicContact CB-CG 4.16Å; A185-E187 WeakPolarHBondContact CB-OE1 3.33Å; A185-E187 VanDerWaalsContact CB-OE2 3.25Å; A185-E187 WeakPolarHBondContact CB-OE2 3.3Å; A185-E187 PolarHBondContact O-N 3.3Å; A185-I188 HydrophobicContact CB-CD1 4.49Å; A185-I188 WeakPolarHBondContact O-CB 3.15Å; A185-I188 PolarHBondContact O-N 2.94Å; A185-V189 PolarHBondContact O-N 2.83Å; A185-A198 HydrophobicContact CB-CB 4.26Å; A185-W201 VanDerWaalsContact CA-CD1 3.49Å; A185-W201 HydrophobicContact CB-CB 3.7Å; A185-W201 HydrophobicContact CB-CD2 4.27Å; A185-W201 HydrophobicContact CB-CG 3.69Å | ||
| 186 | P | 95.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.9 | -35.4 | -179.8 | -25.8 | 34.5 | 0 | 0 | 0 | 113.8 | I188 V189 N190 W201 I229 V232 K258 | P186-I188 VanDerWaalsContact C-N 3.28Å; P186-I188 PolarHBondContact O-N 3.32Å; P186-V189 PolarHBondContact O-N 3.2Å; P186-N190 WeakPolarHBondContact O-CB 3.44Å; P186-N190 PolarHBondContact O-N 3.14Å; P186-N190 PolarHBondContact O-ND2 3.45Å; P186-W201 HydrophobicContact CG-CE3 4.16Å; P186-W201 HydrophobicContact CG-CH2 3.54Å; P186-W201 HydrophobicContact CG-CZ2 3.95Å; P186-W201 HydrophobicContact CG-CZ3 3.65Å; P186-I229 HydrophobicContact CB-CG2 4.33Å; P186-I229 HydrophobicContact CG-CG2 3.94Å; P186-V232 HydrophobicContact CG-CG2 4.28Å; P186-K258 HydrophobicContact CB-CG 4.49Å |
| 187 | E | 95.4 | Very high | 90.1 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -30.4 | 177 | 60.1 | -91.3 | -148.9 | 0 | 0 | 113.2 | A185 Y191 E192 L194 P260 R263 | A185-E187 HydrophobicContact CB-CG 4.16Å; A185-E187 WeakPolarHBondContact CB-OE1 3.33Å; A185-E187 VanDerWaalsContact CB-OE2 3.25Å; A185-E187 WeakPolarHBondContact CB-OE2 3.3Å; A185-E187 PolarHBondContact O-N 3.3Å; E187-Y191 PolarHBondContact O-N 3.41Å; E187-E192 HydrophobicContact CB-CB 3.93Å; E187-E192 PolarHBondContact O-N 3.37Å; E187-L194 HydrophobicContact CB-CD2 4.38Å; E187-L194 HydrophobicContact CG-CD2 3.9Å; E187-P260 HydrophobicContact CB-CG 4.25Å; E187-P260 HydrophobicContact CG-CG 4.22Å; E187-R263 IonicContact OE1-CZ 3.47Å; E187-R263 IonicContact OE1-NH1 2.86Å; E187-R263 PolarHBondContact OE1-NH1 3.2Å; E187-R263 IonicContact OE1-NH2 3.9Å; E187-R263 PolarHBondContact OE1-NH2 3.05Å; E187-R263 IonicContact OE2-CZ 3.85Å; E187-R263 IonicContact OE2-NH1 2.74Å; E187-R263 IonicContact OE2-NH2 3.45Å; E187-R263 PolarHBondContact OE2-NH2 3.24Å |
| 188 | I | 92.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.3 | -43.8 | 173.7 | -62.6 | 172.4 | 0 | 0 | 0 | 109.6 | I177 V184 A185 P186 N190 Y191 L194 A198 | I177-I188 HydrophobicContact CG2-CG2 4.47Å; V184-I188 HydrophobicContact CB-CB 4.31Å; V184-I188 HydrophobicContact CB-CD1 4.22Å; V184-I188 HydrophobicContact CB-CG2 4.28Å; V184-I188 HydrophobicContact CG1-CD1 4.46Å; V184-I188 HydrophobicContact CG1-CG2 4.41Å; A185-I188 HydrophobicContact CB-CD1 4.49Å; A185-I188 WeakPolarHBondContact O-CB 3.15Å; A185-I188 PolarHBondContact O-N 2.94Å; P186-I188 VanDerWaalsContact C-N 3.28Å; P186-I188 PolarHBondContact O-N 3.32Å; I188-N190 VanDerWaalsContact C-N 3.33Å; I188-N190 PolarHBondContact O-N 2.89Å; I188-Y191 PolarHBondContact O-N 2.94Å; I188-L194 HydrophobicContact CB-CD2 4.29Å; I188-L194 HydrophobicContact CG1-CD1 4.27Å; I188-L194 HydrophobicContact CG1-CD2 3.47Å; I188-L194 VanDerWaalsContact CG1-CD2 3.47Å; I188-A198 HydrophobicContact CD1-CB 4.25Å |
| 189 | V | 90.6 | Very high | 91.6 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 21% | 0.206 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -38.6 | 179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | V184 A185 P186 Y191 L226 I229 S230 | V184-V189 HydrophobicContact CG2-CG2 3.68Å; A185-V189 PolarHBondContact O-N 2.83Å; P186-V189 PolarHBondContact O-N 3.2Å; V189-Y191 VanDerWaalsContact C-N 3.32Å; V189-L226 HydrophobicContact CG1-CB 4.22Å; V189-L226 HydrophobicContact CG1-CD2 4.01Å; V189-L226 HydrophobicContact CG2-CD2 3.8Å; V189-I229 HydrophobicContact CG2-CG2 3.98Å; V189-S230 WeakPolarHBondContact CG1-OG 3.37Å |
| 190 | N | 89.1 | Confident | 92.8 | Very high | 59 Ų | 59 | 29.2 Ų | 29.2 | 32% | 0.316 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 2 | -177.7 | -59.6 | -18.8 | 0 | 0 | 0 | 113.6 | P186 I188 E192 S230 | P186-N190 WeakPolarHBondContact O-CB 3.44Å; P186-N190 PolarHBondContact O-N 3.14Å; P186-N190 PolarHBondContact O-ND2 3.45Å; I188-N190 VanDerWaalsContact C-N 3.33Å; I188-N190 PolarHBondContact O-N 2.89Å; N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 HydrophobicContact CB-CG 3.89Å; N190-E192 WeakPolarHBondContact CB-OE1 3.39Å; N190-E192 PolarHBondContact ND2-OE1 3.12Å; N190-E192 PolarHBondContact O-N 3.1Å; N190-S230 PolarHBondContact OD1-OG 3.48Å; N190-S230 VanDerWaalsContact OD1-OG 3.08Å |
| 191 | Y | 90.2 | Very high | 93.6 | Very high | 100 Ų | 100 | 27.1 Ų | 27.1 | 39% | 0.392 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 41 | -176.5 | -158 | -110.2 | 0 | 0 | 0 | 113.6 | K175 I177 E187 I188 V189 | K175-Y191 HydrophobicContact CB-CE1 4.33Å; K175-Y191 HydrophobicContact CB-CE2 4.4Å; I177-Y191 HydrophobicContact CD1-CD2 3.9Å; I177-Y191 HydrophobicContact CG1-CD2 3.56Å; I177-Y191 HydrophobicContact CG1-CE2 4.13Å; E187-Y191 PolarHBondContact O-N 3.41Å; I188-Y191 PolarHBondContact O-N 2.94Å; V189-Y191 VanDerWaalsContact C-N 3.32Å |
| 192 | E | 92 | Very high | 94.4 | Very high | 87 Ų | 87 | 26.7 Ų | 26.7 | 41% | 0.407 | 13% | 0.133 | S | C | . | . | trans | -91.9 | 177.4 | 177.1 | -66.1 | 172.9 | -162.5 | 0 | 0 | 111.3 | E187 N190 L194 | E187-E192 HydrophobicContact CB-CB 3.93Å; E187-E192 PolarHBondContact O-N 3.37Å; N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 HydrophobicContact CB-CG 3.89Å; N190-E192 WeakPolarHBondContact CB-OE1 3.39Å; N190-E192 PolarHBondContact ND2-OE1 3.12Å; N190-E192 PolarHBondContact O-N 3.1Å; E192-L194 PolarHBondContact O-N 3.04Å | ||
| 193 | L | 92.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 25.8 Ų | 25.8 | 48% | 0.476 | 13% | 0.128 | S | C | . | . | trans | -64.2 | 128.5 | 177.7 | -71.4 | 170.8 | 0 | 0 | 0 | 111.1 | E173 K175 | E173-L193 HydrophobicContact CB-CD2 3.47Å; E173-L193 VanDerWaalsContact CB-CD2 3.47Å; E173-L193 HydrophobicContact CG-CD2 3.54Å; K175-L193 HydrophobicContact CD-CD2 4.37Å; K175-L193 HydrophobicContact CG-CD2 4.02Å | ||
| 194 | L | 94.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | trans | -97.6 | 143.5 | -179 | -55 | -174.9 | 0 | 0 | 0 | 111.1 | F138 F174 N176 E187 I188 E192 | F138-L194 HydrophobicContact CE1-CB 4.23Å; F138-L194 HydrophobicContact CZ-CB 4.06Å; F174-L194 HydrophobicContact CD1-CB 3.85Å; F174-L194 HydrophobicContact CD1-CD1 4.1Å; F174-L194 HydrophobicContact CD1-CG 4.49Å; F174-L194 HydrophobicContact CE1-CB 4.46Å; F174-L194 HydrophobicContact CE1-CD1 4Å; F174-L194 WeakPolarHBondContact O-CB 3.43Å; F174-L194 PolarHBondContact O-N 3Å; N176-L194 HydrophobicContact CB-CD1 4.34Å; E187-L194 HydrophobicContact CB-CD2 4.38Å; E187-L194 HydrophobicContact CG-CD2 3.9Å; I188-L194 HydrophobicContact CB-CD2 4.29Å; I188-L194 HydrophobicContact CG1-CD1 4.27Å; I188-L194 HydrophobicContact CG1-CD2 3.47Å; I188-L194 VanDerWaalsContact CG1-CD2 3.47Å; E192-L194 PolarHBondContact O-N 3.04Å | ||
| 195 | G | 94.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 12% | 0.124 | C | C | . | . | trans | -150.9 | -166.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F138 E197 A198 | F138-G195 WeakPolarHBondContact CE1-O 3.5Å; G195-E197 VanDerWaalsContact CA-OE2 3.25Å; G195-E197 WeakPolarHBondContact CA-OE2 3.46Å; G195-E197 PolarHBondContact O-N 2.89Å; G195-A198 PolarHBondContact O-N 2.88Å | ||
| 196 | L | 97.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 25 Ų | 25 | 19% | 0.194 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -22.8 | -179.8 | -56.6 | 178.7 | 0 | 0 | 0 | 112.1 | H131 A136 I168 A198 D199 | H131-L196 HydrophobicContact CB-CD1 4.09Å; H131-L196 PolarHBondContact CE1-O 2.96Å; A136-L196 HydrophobicContact CB-CD2 4.05Å; I168-L196 HydrophobicContact CB-CD2 4.47Å; I168-L196 HydrophobicContact CG1-CD2 3.82Å; I168-L196 HydrophobicContact CG1-CG 4.35Å; L196-A198 PolarHBondContact O-N 3.18Å; L196-D199 PolarHBondContact O-N 3.39Å |
| 197 | E | 97.6 | Very high | 95.5 | Very high | 76 Ų | 76 | 25 Ų | 25 | 36% | 0.355 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63 | -26.9 | -178.5 | -57.5 | 80.3 | -178.2 | 0 | 0 | 112.2 | G195 D199 M200 W201 P260 R263 | G195-E197 VanDerWaalsContact CA-OE2 3.25Å; G195-E197 WeakPolarHBondContact CA-OE2 3.46Å; G195-E197 PolarHBondContact O-N 2.89Å; E197-D199 VanDerWaalsContact C-N 3.34Å; E197-D199 PolarHBondContact O-N 3.01Å; E197-M200 WeakPolarHBondContact O-CB 3.39Å; E197-M200 PolarHBondContact O-N 2.82Å; E197-M200 VanDerWaalsContact O-N 3.12Å; E197-W201 PolarHBondContact O-N 2.93Å; E197-P260 HydrophobicContact CB-CB 3.82Å; E197-P260 HydrophobicContact CG-CB 4.08Å; E197-R263 VanDerWaalsContact C-NH1 3.29Å; E197-R263 WeakPolarHBondContact O-CD 3.43Å; E197-R263 PolarHBondContact O-NH1 3.04Å |
| 198 | A | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F138 A185 I188 G195 L196 M200 W201 S202 | F138-A198 HydrophobicContact CD1-CB 3.94Å; F138-A198 HydrophobicContact CE1-CB 3.77Å; A185-A198 HydrophobicContact CB-CB 4.26Å; I188-A198 HydrophobicContact CD1-CB 4.25Å; G195-A198 PolarHBondContact O-N 2.88Å; L196-A198 PolarHBondContact O-N 3.18Å; A198-M200 PolarHBondContact O-N 2.69Å; A198-W201 WeakPolarHBondContact O-CB 3.3Å; A198-W201 PolarHBondContact O-N 3.07Å; A198-S202 PolarHBondContact O-N 3.3Å; A198-S202 PolarHBondContact O-OG 3.39Å |
| 199 | D | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.7 | -36.3 | 175.2 | -72.8 | -18.1 | 0 | 0 | 0 | 111.2 | V127 H131 A136 H137 F138 L140 L196 E197 W201 S202 I203 | V127-D199 HydrophobicContact CG1-CB 4.45Å; H131-D199 IonicContact CD2-OD2 3.59Å; H131-D199 IonicContact NE2-OD2 3.64Å; H131-D199 PolarHBondContact NE2-OD2 3.04Å; A136-D199 WeakPolarHBondContact CA-OD2 3.21Å; H137-D199 PolarHBondContact N-OD1 3.5Å; H137-D199 PolarHBondContact N-OD2 2.9Å; F138-D199 PolarHBondContact N-OD1 2.93Å; L140-D199 HydrophobicContact CD1-CB 3.74Å; L196-D199 PolarHBondContact O-N 3.39Å; E197-D199 VanDerWaalsContact C-N 3.34Å; E197-D199 PolarHBondContact O-N 3.01Å; D199-W201 VanDerWaalsContact C-N 3.31Å; D199-W201 PolarHBondContact O-N 3.39Å; D199-S202 PolarHBondContact O-N 3.46Å; D199-I203 VanDerWaalsContact O-CG1 3.32Å; D199-I203 WeakPolarHBondContact O-CG1 3.19Å; D199-I203 PolarHBondContact O-N 3.27Å |
| 200 | M | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.9 | -33.9 | 180 | -57.2 | -50.5 | -54.8 | 0 | 0 | 112.1 | V127 E197 A198 I203 G204 L255 R263 I266 S269 | V127-M200 HydrophobicContact CG1-SD 4.49Å; E197-M200 WeakPolarHBondContact O-CB 3.39Å; E197-M200 PolarHBondContact O-N 2.82Å; E197-M200 VanDerWaalsContact O-N 3.12Å; A198-M200 PolarHBondContact O-N 2.69Å; M200-I203 HydrophobicContact CE-CD1 4.05Å; M200-I203 HydrophobicContact SD-CD1 3.94Å; M200-G204 PolarHBondContact O-N 3.01Å; M200-G204 VanDerWaalsContact O-N 3.13Å; M200-L255 HydrophobicContact CB-CD2 4.02Å; M200-L255 HydrophobicContact CE-CD2 3.65Å; M200-R263 HydrophobicContact CB-CG 4.42Å; M200-I266 HydrophobicContact CE-CB 4.29Å; M200-I266 HydrophobicContact CE-CD1 3.93Å; M200-I266 HydrophobicContact SD-CB 3.83Å; M200-I266 HydrophobicContact SD-CD1 3.91Å; M200-I266 HydrophobicContact SD-CG1 4.39Å; M200-S269 WeakPolarHBondContact CE-OG 3.1Å |
| 201 | W | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.7 | -49.7 | 170.9 | 174.1 | -85.2 | 0 | 0 | 0 | 111.1 | V184 A185 P186 E197 A198 D199 I203 G204 V205 F217 I229 V232 L256 | V184-W201 PolarHBondContact O-NE1 3.34Å; A185-W201 VanDerWaalsContact CA-CD1 3.49Å; A185-W201 HydrophobicContact CB-CB 3.7Å; A185-W201 HydrophobicContact CB-CD2 4.27Å; A185-W201 HydrophobicContact CB-CG 3.69Å; P186-W201 HydrophobicContact CG-CE3 4.16Å; P186-W201 HydrophobicContact CG-CH2 3.54Å; P186-W201 HydrophobicContact CG-CZ2 3.95Å; P186-W201 HydrophobicContact CG-CZ3 3.65Å; E197-W201 PolarHBondContact O-N 2.93Å; A198-W201 WeakPolarHBondContact O-CB 3.3Å; A198-W201 PolarHBondContact O-N 3.07Å; D199-W201 VanDerWaalsContact C-N 3.31Å; D199-W201 PolarHBondContact O-N 3.39Å; W201-I203 VanDerWaalsContact C-N 3.27Å; W201-I203 PolarHBondContact O-N 3.15Å; W201-G204 WeakPolarHBondContact O-CA 3.19Å; W201-G204 PolarHBondContact O-N 3.01Å; W201-V205 PolarHBondContact O-N 3.23Å; W201-F217 AromaticContact CE2-CE2 3.87Å; W201-F217 HydrophobicContact CH2-CE1 4.28Å; W201-F217 AromaticContact CH2-CE2 3.78Å; W201-F217 HydrophobicContact CH2-CE2 3.78Å; W201-F217 AromaticContact CH2-CZ 3.51Å; W201-F217 HydrophobicContact CH2-CZ 3.51Å; W201-F217 AromaticContact CZ2-CD2 3.88Å; W201-F217 HydrophobicContact CZ2-CD2 3.88Å; W201-F217 HydrophobicContact CZ2-CE1 4.28Å; W201-F217 AromaticContact CZ2-CE2 3.19Å; W201-F217 HydrophobicContact CZ2-CE2 3.19Å; W201-F217 AromaticContact CZ2-CZ 3.44Å; W201-F217 HydrophobicContact CZ2-CZ 3.44Å; W201-F217 VanDerWaalsContact CZ2-CZ 3.44Å; W201-I229 HydrophobicContact CZ2-CG2 3.99Å; W201-V232 HydrophobicContact CH2-CG1 4.11Å; W201-V232 HydrophobicContact CH2-CG2 4.02Å; W201-V232 HydrophobicContact CZ3-CG1 4.33Å; W201-V232 HydrophobicContact CZ3-CG2 4.27Å; W201-L256 HydrophobicContact CD2-CD2 3.93Å; W201-L256 HydrophobicContact CE3-CD2 4.06Å; W201-L256 HydrophobicContact CG-CD2 4.4Å; W201-L256 HydrophobicContact CZ2-CD2 4.43Å; W201-L256 HydrophobicContact CZ3-CB 4.31Å; W201-L256 HydrophobicContact CZ3-CD2 4.37Å |
| 202 | S | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | L140 F183 A198 D199 G204 V205 I206 | L140-S202 WeakPolarHBondContact O-CB 3.35Å; F183-S202 PolarHBondContact O-OG 2.97Å; A198-S202 PolarHBondContact O-N 3.3Å; A198-S202 PolarHBondContact O-OG 3.39Å; D199-S202 PolarHBondContact O-N 3.46Å; S202-G204 VanDerWaalsContact C-N 3.3Å; S202-G204 PolarHBondContact O-N 3.38Å; S202-V205 PolarHBondContact O-N 3.46Å; S202-I206 WeakPolarHBondContact O-CB 3.26Å; S202-I206 WeakPolarHBondContact O-CD1 3.25Å; S202-I206 VanDerWaalsContact O-CG1 3.28Å; S202-I206 WeakPolarHBondContact O-CG1 3.46Å; S202-I206 PolarHBondContact O-N 3.37Å |
| 203 | I | 98.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 172.4 | -66.9 | 167.2 | 0 | 0 | 0 | 111.6 | L120 L124 V127 L140 D199 M200 W201 T207 L255 | L120-I203 HydrophobicContact CD1-CG2 4.03Å; L124-I203 HydrophobicContact CD2-CD1 4.17Å; L124-I203 HydrophobicContact CD2-CG2 4.14Å; V127-I203 HydrophobicContact CB-CD1 4.28Å; V127-I203 HydrophobicContact CG1-CD1 4.08Å; V127-I203 HydrophobicContact CG2-CD1 4.06Å; L140-I203 HydrophobicContact CD1-CD1 4.26Å; L140-I203 HydrophobicContact CD1-CG1 3.97Å; D199-I203 VanDerWaalsContact O-CG1 3.32Å; D199-I203 WeakPolarHBondContact O-CG1 3.19Å; D199-I203 PolarHBondContact O-N 3.27Å; M200-I203 HydrophobicContact CE-CD1 4.05Å; M200-I203 HydrophobicContact SD-CD1 3.94Å; W201-I203 VanDerWaalsContact C-N 3.27Å; W201-I203 PolarHBondContact O-N 3.15Å; I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.35Å; I203-T207 PolarHBondContact O-N 2.87Å; I203-T207 PolarHBondContact O-OG1 3.36Å; I203-L255 HydrophobicContact CB-CD1 4.5Å; I203-L255 HydrophobicContact CG2-CD1 3.99Å |
| 204 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M200 W201 S202 T207 Y208 | M200-G204 PolarHBondContact O-N 3.01Å; M200-G204 VanDerWaalsContact O-N 3.13Å; W201-G204 WeakPolarHBondContact O-CA 3.19Å; W201-G204 PolarHBondContact O-N 3.01Å; S202-G204 VanDerWaalsContact C-N 3.3Å; S202-G204 PolarHBondContact O-N 3.38Å; G204-T207 PolarHBondContact O-N 2.92Å; G204-Y208 PolarHBondContact O-N 3.19Å |
| 205 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.3 | -50.1 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 111 | F183 W201 S202 T207 Y208 I209 P216 F217 L256 | F183-V205 HydrophobicContact CD1-CB 4.22Å; F183-V205 HydrophobicContact CD1-CG1 3.55Å; F183-V205 HydrophobicContact CE1-CG1 3.88Å; F183-V205 HydrophobicContact CG-CG1 4.46Å; W201-V205 PolarHBondContact O-N 3.23Å; S202-V205 PolarHBondContact O-N 3.46Å; V205-T207 VanDerWaalsContact C-N 3.27Å; V205-T207 PolarHBondContact O-N 2.75Å; V205-Y208 WeakPolarHBondContact O-CB 3.46Å; V205-Y208 PolarHBondContact O-N 2.85Å; V205-Y208 VanDerWaalsContact O-N 3.14Å; V205-I209 HydrophobicContact CG1-CD1 3.78Å; V205-I209 WeakPolarHBondContact O-CG1 3.42Å; V205-I209 PolarHBondContact O-N 3.41Å; V205-P216 HydrophobicContact CB-CG 4.32Å; V205-P216 HydrophobicContact CG1-CG 3.93Å; V205-P216 HydrophobicContact CG2-CG 4.16Å; V205-F217 HydrophobicContact CG2-CD2 4.2Å; V205-F217 HydrophobicContact CG2-CE2 4.05Å; V205-L256 HydrophobicContact CG2-CD2 3.9Å |
| 206 | I | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.5 | -44.2 | 176.3 | -72.1 | 158 | 0 | 0 | 0 | 110.6 | F102 L140 I145 F183 S202 I209 L210 | F102-I206 HydrophobicContact CE2-CG2 4.09Å; F102-I206 HydrophobicContact CZ-CG2 3.95Å; L140-I206 HydrophobicContact CB-CD1 4.08Å; I145-I206 HydrophobicContact CD1-CD1 3.73Å; I145-I206 HydrophobicContact CD1-CG1 4.35Å; I145-I206 HydrophobicContact CD1-CG2 4.07Å; F183-I206 HydrophobicContact CD1-CG1 4.42Å; F183-I206 HydrophobicContact CE1-CG1 4.49Å; S202-I206 WeakPolarHBondContact O-CB 3.26Å; S202-I206 WeakPolarHBondContact O-CD1 3.25Å; S202-I206 VanDerWaalsContact O-CG1 3.28Å; S202-I206 WeakPolarHBondContact O-CG1 3.46Å; S202-I206 PolarHBondContact O-N 3.37Å; I206-I209 PolarHBondContact O-N 3.36Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 3.48Å |
| 207 | T | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 179.8 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L120 I203 G204 V205 L210 L211 F251 I252 W274 | L120-T207 WeakPolarHBondContact CD1-OG1 3.41Å; L120-T207 HydrophobicContact CD2-CG2 3.97Å; I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.35Å; I203-T207 PolarHBondContact O-N 2.87Å; I203-T207 PolarHBondContact O-OG1 3.36Å; G204-T207 PolarHBondContact O-N 2.92Å; V205-T207 VanDerWaalsContact C-N 3.27Å; V205-T207 PolarHBondContact O-N 2.75Å; T207-L210 PolarHBondContact O-N 3.42Å; T207-L211 HydrophobicContact CG2-CD1 4.17Å; T207-L211 WeakPolarHBondContact O-CG 3.13Å; T207-L211 PolarHBondContact O-N 2.84Å; T207-F251 HydrophobicContact CG2-CD1 4.12Å; T207-F251 HydrophobicContact CG2-CE1 4.33Å; T207-I252 HydrophobicContact CG2-CD1 4.14Å; T207-I252 HydrophobicContact CG2-CG1 3.82Å; T207-W274 HydrophobicContact CG2-CH2 3.64Å; T207-W274 HydrophobicContact CG2-CZ3 3.62Å |
| 208 | Y | 97.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 9.6 Ų | 9.6 | 4% | 0.035 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 176 | -175.7 | -75.9 | 0 | 0 | 0 | 111 | G204 V205 L211 S212 A214 P216 Y234 D235 F236 F241 I252 | G204-Y208 PolarHBondContact O-N 3.19Å; V205-Y208 WeakPolarHBondContact O-CB 3.46Å; V205-Y208 PolarHBondContact O-N 2.85Å; V205-Y208 VanDerWaalsContact O-N 3.14Å; Y208-L211 PolarHBondContact O-N 3.2Å; Y208-S212 WeakPolarHBondContact CE1-OG 3.34Å; Y208-S212 WeakPolarHBondContact O-CB 2.93Å; Y208-S212 PolarHBondContact O-N 2.88Å; Y208-S212 VanDerWaalsContact O-N 3.08Å; Y208-S212 PolarHBondContact O-OG 3.43Å; Y208-A214 WeakPolarHBondContact CD1-O 3.23Å; Y208-A214 HydrophobicContact CE1-CB 4.37Å; Y208-A214 VanDerWaalsContact CE1-O 3.28Å; Y208-A214 WeakPolarHBondContact CE1-O 3.25Å; Y208-P216 HydrophobicContact CD1-CB 3.85Å; Y208-P216 HydrophobicContact CD1-CG 4.03Å; Y208-P216 HydrophobicContact CD2-CB 3.92Å; Y208-P216 HydrophobicContact CE1-CB 3.99Å; Y208-P216 HydrophobicContact CE2-CB 4.07Å; Y208-P216 HydrophobicContact CG-CB 3.81Å; Y208-P216 HydrophobicContact CG-CG 4.02Å; Y208-Y234 HydrophobicContact CD2-CD2 4.38Å; Y208-Y234 HydrophobicContact CE2-CD2 4.04Å; Y208-D235 VanDerWaalsContact CE2-O 3.31Å; Y208-D235 WeakPolarHBondContact CE2-O 3.36Å; Y208-D235 PolarHBondContact OH-O 3.21Å; Y208-D235 VanDerWaalsContact OH-O 3.05Å; Y208-F236 HydrophobicContact CD2-CE1 4.14Å; Y208-F236 HydrophobicContact CE2-CD1 4.14Å; Y208-F236 HydrophobicContact CE2-CE1 4.19Å; Y208-F241 HydrophobicContact CD1-CZ 4.15Å; Y208-F241 HydrophobicContact CD2-CE2 4.17Å; Y208-F241 AromaticContact CD2-CZ 3.59Å; Y208-F241 HydrophobicContact CD2-CZ 3.59Å; Y208-F241 AromaticContact CE1-CE2 3.93Å; Y208-F241 HydrophobicContact CE1-CE2 3.93Å; Y208-F241 AromaticContact CE1-CZ 3.99Å; Y208-F241 HydrophobicContact CE1-CZ 3.99Å; Y208-F241 AromaticContact CE2-CE2 3.49Å; Y208-F241 HydrophobicContact CE2-CE2 3.49Å; Y208-F241 VanDerWaalsContact CE2-CE2 3.49Å; Y208-F241 AromaticContact CE2-CZ 3.4Å; Y208-F241 HydrophobicContact CE2-CZ 3.4Å; Y208-F241 VanDerWaalsContact CE2-CZ 3.4Å; Y208-F241 AromaticContact CG-CZ 3.97Å; Y208-F241 HydrophobicContact CG-CZ 3.97Å; Y208-F241 AromaticContact CZ-CE2 3.36Å; Y208-F241 AromaticContact CZ-CZ 3.63Å; Y208-F241 WeakPolarHBondContact OH-CE2 3.43Å; Y208-I252 HydrophobicContact CD2-CD1 4.43Å; Y208-I252 HydrophobicContact CD2-CG2 4.22Å |
| 209 | I | 94.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.6 | -42.7 | 179.9 | -59.5 | 157.8 | 0 | 0 | 0 | 110.5 | F102 F183 V205 I206 L211 S212 G213 A214 L302 Y305 | F102-I209 HydrophobicContact CD1-CG2 4.35Å; F102-I209 HydrophobicContact CE1-CB 4.12Å; F102-I209 HydrophobicContact CE1-CG2 3.68Å; F183-I209 HydrophobicContact CE1-CD1 3.57Å; F183-I209 HydrophobicContact CZ-CD1 4.1Å; V205-I209 HydrophobicContact CG1-CD1 3.78Å; V205-I209 WeakPolarHBondContact O-CG1 3.42Å; V205-I209 PolarHBondContact O-N 3.41Å; I206-I209 PolarHBondContact O-N 3.36Å; I209-L211 PolarHBondContact O-N 2.99Å; I209-S212 PolarHBondContact O-N 2.85Å; I209-G213 WeakPolarHBondContact O-CA 3.28Å; I209-G213 PolarHBondContact O-N 3.35Å; I209-A214 WeakPolarHBondContact CA-O 3.38Å; I209-A214 VanDerWaalsContact CG1-O 3.29Å; I209-A214 WeakPolarHBondContact CG1-O 3.32Å; I209-L302 HydrophobicContact CG2-CD1 4.5Å; I209-Y305 HydrophobicContact CD1-CE2 4.41Å; I209-Y305 HydrophobicContact CG2-CD1 3.72Å; I209-Y305 HydrophobicContact CG2-CD2 4.05Å; I209-Y305 HydrophobicContact CG2-CE1 3.63Å; I209-Y305 HydrophobicContact CG2-CE2 3.95Å; I209-Y305 HydrophobicContact CG2-CG 3.94Å |
| 210 | L | 93.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.7 | -35.9 | 179 | -179.6 | 65.4 | 0 | 0 | 0 | 112.8 | F102 L105 L111 A116 I206 T207 | F102-L210 HydrophobicContact CE1-CB 4.48Å; F102-L210 HydrophobicContact CZ-CB 4.23Å; F102-L210 HydrophobicContact CZ-CD1 4.48Å; L105-L210 HydrophobicContact CD1-CD1 3.24Å; L111-L210 HydrophobicContact CD2-CD1 4.35Å; A116-L210 HydrophobicContact CB-CD2 4.14Å; A116-L210 HydrophobicContact CB-CG 4.46Å; I206-L210 WeakPolarHBondContact O-CB 3.42Å; I206-L210 PolarHBondContact O-N 3.48Å; T207-L210 PolarHBondContact O-N 3.42Å |
| 211 | L | 92.5 | Very high | 93.7 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -91.2 | -27.2 | -176.6 | -62.3 | 179.5 | 0 | 0 | 0 | 113.8 | E113 A116 T207 Y208 I209 F241 T244 A248 I252 W274 L297 | E113-L211 HydrophobicContact CG-CD2 4.44Å; A116-L211 HydrophobicContact CB-CD2 4.05Å; T207-L211 HydrophobicContact CG2-CD1 4.17Å; T207-L211 WeakPolarHBondContact O-CG 3.13Å; T207-L211 PolarHBondContact O-N 2.84Å; Y208-L211 PolarHBondContact O-N 3.2Å; I209-L211 PolarHBondContact O-N 2.99Å; L211-F241 HydrophobicContact CB-CE1 4.48Å; L211-T244 HydrophobicContact CD1-CG2 4.08Å; L211-A248 HydrophobicContact CD1-CB 3.76Å; L211-I252 HydrophobicContact CD1-CD1 4.15Å; L211-W274 HydrophobicContact CD1-CH2 3.86Å; L211-W274 HydrophobicContact CD1-CZ2 3.83Å; L211-W274 HydrophobicContact CD2-CH2 4.34Å; L211-W274 HydrophobicContact CD2-CZ2 4.09Å; L211-W274 HydrophobicContact CG-CH2 4.47Å; L211-L297 HydrophobicContact CD2-CD1 3.68Å |
| 212 | S | 91.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 7% | 0.07 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -111.1 | -26.9 | -172 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | Y208 I209 A214 | Y208-S212 WeakPolarHBondContact CE1-OG 3.34Å; Y208-S212 WeakPolarHBondContact O-CB 2.93Å; Y208-S212 PolarHBondContact O-N 2.88Å; Y208-S212 VanDerWaalsContact O-N 3.08Å; Y208-S212 PolarHBondContact O-OG 3.43Å; I209-S212 PolarHBondContact O-N 2.85Å; S212-A214 PolarHBondContact O-N 3.47Å; S212-A214 PolarHBondContact OG-N 2.86Å; S212-A214 PolarHBondContact OG-O 3.05Å; S212-A214 VanDerWaalsContact OG-O 3.11Å |
| 213 | G | 89 | Confident | 92.3 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 68.2 | 15.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I209 Y305 | I209-G213 WeakPolarHBondContact O-CA 3.28Å; I209-G213 PolarHBondContact O-N 3.35Å; G213-Y305 WeakPolarHBondContact O-CB 3.3Å |
| 214 | A | 90.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -124.1 | 152.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y208 I209 S212 Y240 | Y208-A214 WeakPolarHBondContact CD1-O 3.23Å; Y208-A214 HydrophobicContact CE1-CB 4.37Å; Y208-A214 VanDerWaalsContact CE1-O 3.28Å; Y208-A214 WeakPolarHBondContact CE1-O 3.25Å; I209-A214 WeakPolarHBondContact CA-O 3.38Å; I209-A214 VanDerWaalsContact CG1-O 3.29Å; I209-A214 WeakPolarHBondContact CG1-O 3.32Å; S212-A214 PolarHBondContact O-N 3.47Å; S212-A214 PolarHBondContact OG-N 2.86Å; S212-A214 PolarHBondContact OG-O 3.05Å; S212-A214 VanDerWaalsContact OG-O 3.11Å; A214-Y240 HydrophobicContact CB-CD1 3.91Å; A214-Y240 HydrophobicContact CB-CE1 4Å; A214-Y240 HydrophobicContact CB-CG 4.47Å |
| 215 | S | 93.2 | Very high | 91.5 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 17% | 0.168 | 19% | 0.194 | C | C | . | . | trans | -84.4 | 139.8 | 173.6 | -169.2 | 0 | 0 | 0 | 0 | 111 | E182 F217 L218 | E182-S215 WeakPolarHBondContact CG-OG 3.13Å; E182-S215 WeakPolarHBondContact OE1-CB 3.33Å; E182-S215 PolarHBondContact OE1-OG 2.8Å; S215-F217 VanDerWaalsContact C-N 3.35Å; S215-L218 WeakPolarHBondContact OG-CB 3.17Å; S215-L218 PolarHBondContact OG-N 3.32Å | ||
| 216 | P | 96.1 | Very high | 91 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.071 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -72 | -26.3 | 178.4 | 26.3 | -31.3 | 0 | 0 | 0 | 113.6 | V205 Y208 Y234 L256 | V205-P216 HydrophobicContact CB-CG 4.32Å; V205-P216 HydrophobicContact CG1-CG 3.93Å; V205-P216 HydrophobicContact CG2-CG 4.16Å; Y208-P216 HydrophobicContact CD1-CB 3.85Å; Y208-P216 HydrophobicContact CD1-CG 4.03Å; Y208-P216 HydrophobicContact CD2-CB 3.92Å; Y208-P216 HydrophobicContact CE1-CB 3.99Å; Y208-P216 HydrophobicContact CE2-CB 4.07Å; Y208-P216 HydrophobicContact CG-CB 3.81Å; Y208-P216 HydrophobicContact CG-CG 4.02Å; P216-Y234 HydrophobicContact CB-CG 4.36Å; P216-Y234 VanDerWaalsContact O-CB 3.25Å; P216-Y234 WeakPolarHBondContact O-CB 3.48Å; P216-L256 HydrophobicContact CB-CD1 4.35Å; P216-L256 HydrophobicContact CG-CD1 4.5Å |
| 217 | F | 95.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -129.2 | -10.7 | -171 | -55.4 | -67.7 | 0 | 0 | 0 | 115 | W201 V205 S215 G219 T225 N228 I229 Y234 L256 | W201-F217 AromaticContact CE2-CE2 3.87Å; W201-F217 HydrophobicContact CH2-CE1 4.28Å; W201-F217 AromaticContact CH2-CE2 3.78Å; W201-F217 HydrophobicContact CH2-CE2 3.78Å; W201-F217 AromaticContact CH2-CZ 3.51Å; W201-F217 HydrophobicContact CH2-CZ 3.51Å; W201-F217 AromaticContact CZ2-CD2 3.88Å; W201-F217 HydrophobicContact CZ2-CD2 3.88Å; W201-F217 HydrophobicContact CZ2-CE1 4.28Å; W201-F217 AromaticContact CZ2-CE2 3.19Å; W201-F217 HydrophobicContact CZ2-CE2 3.19Å; W201-F217 AromaticContact CZ2-CZ 3.44Å; W201-F217 HydrophobicContact CZ2-CZ 3.44Å; W201-F217 VanDerWaalsContact CZ2-CZ 3.44Å; V205-F217 HydrophobicContact CG2-CD2 4.2Å; V205-F217 HydrophobicContact CG2-CE2 4.05Å; S215-F217 VanDerWaalsContact C-N 3.35Å; F217-G219 PolarHBondContact O-N 3.02Å; F217-T225 WeakPolarHBondContact O-CA 3.38Å; F217-N228 HydrophobicContact CB-CB 4.16Å; F217-N228 HydrophobicContact CD1-CB 4.22Å; F217-N228 PolarHBondContact O-ND2 3.31Å; F217-I229 HydrophobicContact CB-CD1 4.4Å; F217-I229 HydrophobicContact CB-CG1 3.64Å; F217-I229 HydrophobicContact CD1-CG1 4.41Å; F217-I229 HydrophobicContact CD2-CG1 4.11Å; F217-I229 HydrophobicContact CG-CG1 3.81Å; F217-Y234 AromaticContact CE1-CD1 3.64Å; F217-Y234 HydrophobicContact CE1-CD1 3.64Å; F217-Y234 HydrophobicContact CE1-CG 4.02Å; F217-Y234 AromaticContact CZ-CD1 3.65Å; F217-Y234 HydrophobicContact CZ-CD1 3.65Å; F217-Y234 HydrophobicContact CZ-CE1 4.37Å; F217-Y234 HydrophobicContact CZ-CG 4.11Å; F217-L256 HydrophobicContact CE2-CD1 4.03Å; F217-L256 HydrophobicContact CE2-CD2 4.06Å; F217-L256 HydrophobicContact CZ-CD1 4.03Å; F217-L256 HydrophobicContact CZ-CD2 4.44Å |
| 218 | L | 92.3 | Very high | 90.6 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 50% | 0.497 | 23% | 0.228 | S | C | . | . | trans | -60.8 | 119.8 | -179 | -172.7 | 67.2 | 0 | 0 | 0 | 110.8 | E182 S215 | E182-L218 HydrophobicContact CG-CB 4.33Å; S215-L218 WeakPolarHBondContact OG-CB 3.17Å; S215-L218 PolarHBondContact OG-N 3.32Å | ||
| 219 | G | 88.3 | Confident | 90.5 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 17% | 0.165 | 23% | 0.227 | C | C | . | . | trans | -102.3 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F217 T221 T225 | F217-G219 PolarHBondContact O-N 3.02Å; G219-T221 PolarHBondContact O-N 2.67Å; G219-T225 PolarHBondContact N-OG1 2.81Å | ||
| 220 | E | 84.7 | Confident | 90.4 | Very high | 183 Ų | 183 | 43.6 Ų | 43.6 | 86% | 0.855 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -66.4 | -26.9 | 176.5 | -66.2 | -63.6 | 148 | 0 | 0 | 111.7 | E224 | E220-E224 PolarHBondContact N-OE2 2.89Š|
| 221 | T | 83.9 | Confident | 90.5 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -121.6 | 156.4 | 175.3 | 70.5 | 0 | 0 | 0 | 0 | 112 | G219 Q223 E224 T225 | G219-T221 PolarHBondContact O-N 2.67Å; T221-Q223 PolarHBondContact O-N 3.25Å; T221-E224 WeakPolarHBondContact O-CB 3.36Å; T221-E224 PolarHBondContact O-N 2.98Å; T221-E224 WeakPolarHBondContact OG1-CB 3.4Å; T221-E224 PolarHBondContact OG1-N 3.01Å; T221-E224 VanDerWaalsContact OG1-N 3.13Å; T221-T225 PolarHBondContact O-N 3.29Å; T221-T225 PolarHBondContact O-OG1 2.98Å |
| 222 | K | 81.7 | Confident | 90.7 | Very high | 82 Ų | 82 | 47.8 Ų | 47.8 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.2 | -40.5 | 171.3 | -175.3 | -178.3 | 176.1 | -174.9 | 0 | 111.7 | P181 T225 L226 F322 | P181-K222 HydrophobicContact CG-CG 4.34Å; K222-T225 WeakPolarHBondContact O-CB 3.29Å; K222-T225 PolarHBondContact O-N 3.22Å; K222-L226 HydrophobicContact CG-CD1 4.29Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.4Å; K222-L226 PolarHBondContact O-N 3.42Å; K222-F322 VanDerWaalsContact NZ-CD2 3.34Å |
| 223 | Q | 83.8 | Confident | 90.9 | Very high | 133 Ų | 133 | 52 Ų | 52 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 179.9 | -174.9 | 60.1 | 35.4 | 0 | 0 | 111.7 | T221 L226 T227 | T221-Q223 PolarHBondContact O-N 3.25Å; Q223-L226 PolarHBondContact O-N 2.74Å; Q223-T227 WeakPolarHBondContact O-CB 3.47Å; Q223-T227 PolarHBondContact O-N 3.37Å; Q223-T227 PolarHBondContact O-OG1 3.25Å |
| 224 | E | 89.5 | Confident | 91.2 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 175 | -175 | 179.5 | -167.3 | 0 | 0 | 111.3 | E220 T221 L226 T227 N228 | E220-E224 PolarHBondContact N-OE2 2.89Å; T221-E224 WeakPolarHBondContact O-CB 3.36Å; T221-E224 PolarHBondContact O-N 2.98Å; T221-E224 WeakPolarHBondContact OG1-CB 3.4Å; T221-E224 PolarHBondContact OG1-N 3.01Å; T221-E224 VanDerWaalsContact OG1-N 3.13Å; E224-L226 PolarHBondContact O-N 3.45Å; E224-T227 WeakPolarHBondContact O-CB 3.44Å; E224-T227 PolarHBondContact O-N 3.24Å; E224-T227 VanDerWaalsContact O-N 3.09Å; E224-N228 PolarHBondContact O-N 3.44Å |
| 225 | T | 90.5 | Very high | 91.4 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.5 | -49.6 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | P181 F217 G219 T221 K222 T227 N228 I229 | P181-T225 HydrophobicContact CB-CG2 4.34Å; F217-T225 WeakPolarHBondContact O-CA 3.38Å; G219-T225 PolarHBondContact N-OG1 2.81Å; T221-T225 PolarHBondContact O-N 3.29Å; T221-T225 PolarHBondContact O-OG1 2.98Å; K222-T225 WeakPolarHBondContact O-CB 3.29Å; K222-T225 PolarHBondContact O-N 3.22Å; T225-T227 VanDerWaalsContact C-N 3.29Å; T225-T227 PolarHBondContact O-N 3.41Å; T225-N228 PolarHBondContact O-N 2.92Å; T225-I229 HydrophobicContact CG2-CD1 4.04Å; T225-I229 VanDerWaalsContact O-CG1 3.31Å; T225-I229 WeakPolarHBondContact O-CG1 3.45Å; T225-I229 PolarHBondContact O-N 3.49Å |
| 226 | L | 89.1 | Confident | 91.5 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.5 | -64.9 | 175.7 | 0 | 0 | 0 | 111.9 | P181 V189 K222 Q223 E224 I229 S230 | P181-L226 HydrophobicContact CB-CD2 4.41Å; V189-L226 HydrophobicContact CG1-CB 4.22Å; V189-L226 HydrophobicContact CG1-CD2 4.01Å; V189-L226 HydrophobicContact CG2-CD2 3.8Å; K222-L226 HydrophobicContact CG-CD1 4.29Å; K222-L226 VanDerWaalsContact O-CG 3.31Å; K222-L226 WeakPolarHBondContact O-CG 3.4Å; K222-L226 PolarHBondContact O-N 3.42Å; Q223-L226 PolarHBondContact O-N 2.74Å; E224-L226 PolarHBondContact O-N 3.45Å; L226-I229 PolarHBondContact O-N 3.44Å; L226-S230 PolarHBondContact O-N 3.1Å; L226-S230 PolarHBondContact O-OG 3.34Å |
| 227 | T | 91.9 | Very high | 91.3 | Very high | 75 Ų | 75 | 60.7 Ų | 60.7 | 46% | 0.46 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | Q223 E224 T225 I229 S230 A231 | Q223-T227 WeakPolarHBondContact O-CB 3.47Å; Q223-T227 PolarHBondContact O-N 3.37Å; Q223-T227 PolarHBondContact O-OG1 3.25Å; E224-T227 WeakPolarHBondContact O-CB 3.44Å; E224-T227 PolarHBondContact O-N 3.24Å; E224-T227 VanDerWaalsContact O-N 3.09Å; T225-T227 VanDerWaalsContact C-N 3.29Å; T225-T227 PolarHBondContact O-N 3.41Å; T227-I229 VanDerWaalsContact C-N 3.33Å; T227-I229 PolarHBondContact O-N 2.84Å; T227-S230 PolarHBondContact O-N 2.97Å; T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.43Å; T227-A231 PolarHBondContact O-N 3.19Å |
| 228 | N | 93.7 | Very high | 90.9 | Very high | 26 Ų | 26 | 66.5 Ų | 66.5 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.3 | -71.4 | -24 | 0 | 0 | 0 | 111.5 | F217 E224 T225 V232 N233 | F217-N228 HydrophobicContact CB-CB 4.16Å; F217-N228 HydrophobicContact CD1-CB 4.22Å; F217-N228 PolarHBondContact O-ND2 3.31Å; E224-N228 PolarHBondContact O-N 3.44Å; T225-N228 PolarHBondContact O-N 2.92Å; N228-V232 WeakPolarHBondContact O-CA 3.38Å; N228-V232 PolarHBondContact O-N 3.15Å; N228-N233 HydrophobicContact CB-CB 4.48Å; N228-N233 PolarHBondContact O-N 2.88Å; N228-N233 PolarHBondContact OD1-ND2 3.38Å |
| 229 | I | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -53 | 177 | -67.4 | 165.1 | 0 | 0 | 0 | 111 | P181 V184 P186 V189 W201 F217 T225 L226 T227 A231 V232 | P181-I229 WeakPolarHBondContact O-CD1 3.49Å; V184-I229 HydrophobicContact CG2-CD1 4.27Å; P186-I229 HydrophobicContact CB-CG2 4.33Å; P186-I229 HydrophobicContact CG-CG2 3.94Å; V189-I229 HydrophobicContact CG2-CG2 3.98Å; W201-I229 HydrophobicContact CZ2-CG2 3.99Å; F217-I229 HydrophobicContact CB-CD1 4.4Å; F217-I229 HydrophobicContact CB-CG1 3.64Å; F217-I229 HydrophobicContact CD1-CG1 4.41Å; F217-I229 HydrophobicContact CD2-CG1 4.11Å; F217-I229 HydrophobicContact CG-CG1 3.81Å; T225-I229 HydrophobicContact CG2-CD1 4.04Å; T225-I229 VanDerWaalsContact O-CG1 3.31Å; T225-I229 WeakPolarHBondContact O-CG1 3.45Å; T225-I229 PolarHBondContact O-N 3.49Å; L226-I229 PolarHBondContact O-N 3.44Å; T227-I229 VanDerWaalsContact C-N 3.33Å; T227-I229 PolarHBondContact O-N 2.84Å; I229-A231 PolarHBondContact O-N 3.34Å; I229-V232 PolarHBondContact O-N 3.38Å |
| 230 | S | 92.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 70.3 Ų | 70.3 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.3 | -30 | -178.3 | -67.7 | 0 | 0 | 0 | 0 | 113 | V189 N190 L226 T227 K258 | V189-S230 WeakPolarHBondContact CG1-OG 3.37Å; N190-S230 PolarHBondContact OD1-OG 3.48Å; N190-S230 VanDerWaalsContact OD1-OG 3.08Å; L226-S230 PolarHBondContact O-N 3.1Å; L226-S230 PolarHBondContact O-OG 3.34Å; T227-S230 PolarHBondContact O-N 2.97Å; S230-K258 WeakPolarHBondContact O-CE 3.46Å; S230-K258 PolarHBondContact O-NZ 3.46Å |
| 231 | A | 94.4 | Very high | 91 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -85 | -12.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T227 I229 N233 | T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.43Å; T227-A231 PolarHBondContact O-N 3.19Å; I229-A231 PolarHBondContact O-N 3.34Å; A231-N233 HydrophobicContact CB-CB 4.18Å; A231-N233 PolarHBondContact O-N 3.03Å |
| 232 | V | 96.7 | Very high | 91.2 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 48.4 | -168.4 | -166.6 | 0 | 0 | 0 | 0 | 110.8 | P186 W201 N228 I229 Y234 L256 K258 | P186-V232 HydrophobicContact CG-CG2 4.28Å; W201-V232 HydrophobicContact CH2-CG1 4.11Å; W201-V232 HydrophobicContact CH2-CG2 4.02Å; W201-V232 HydrophobicContact CZ3-CG1 4.33Å; W201-V232 HydrophobicContact CZ3-CG2 4.27Å; N228-V232 WeakPolarHBondContact O-CA 3.38Å; N228-V232 PolarHBondContact O-N 3.15Å; I229-V232 PolarHBondContact O-N 3.38Å; V232-Y234 HydrophobicContact CG1-CD1 4.11Å; V232-Y234 HydrophobicContact CG1-CE1 3.93Å; V232-Y234 PolarHBondContact O-N 3.09Å; V232-L256 WeakPolarHBondContact CG1-O 3.39Å; V232-K258 HydrophobicContact CG2-CB 3.63Å; V232-K258 HydrophobicContact CG2-CD 4.28Å; V232-K258 HydrophobicContact CG2-CG 4.06Å |
| 233 | N | 95.4 | Very high | 91.4 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 53% | 0.529 | 33% | 0.325 | S | S | . | . | trans | -93.3 | 92.8 | -178.5 | -174.8 | 39.5 | 0 | 0 | 0 | 110 | N228 A231 | N228-N233 HydrophobicContact CB-CB 4.48Å; N228-N233 PolarHBondContact O-N 2.88Å; N228-N233 PolarHBondContact OD1-ND2 3.38Å; A231-N233 HydrophobicContact CB-CB 4.18Å; A231-N233 PolarHBondContact O-N 3.03Å | ||
| 234 | Y | 96.6 | Very high | 91.8 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 19% | 0.188 | 30% | 0.297 | C | S | . | . | trans | -143.6 | 159.1 | 169.8 | 76.3 | -77.9 | 0 | 0 | 0 | 108.8 | Y208 P216 F217 V232 F236 I252 R253 L256 | Y208-Y234 HydrophobicContact CD2-CD2 4.38Å; Y208-Y234 HydrophobicContact CE2-CD2 4.04Å; P216-Y234 HydrophobicContact CB-CG 4.36Å; P216-Y234 VanDerWaalsContact O-CB 3.25Å; P216-Y234 WeakPolarHBondContact O-CB 3.48Å; F217-Y234 AromaticContact CE1-CD1 3.64Å; F217-Y234 HydrophobicContact CE1-CD1 3.64Å; F217-Y234 HydrophobicContact CE1-CG 4.02Å; F217-Y234 AromaticContact CZ-CD1 3.65Å; F217-Y234 HydrophobicContact CZ-CD1 3.65Å; F217-Y234 HydrophobicContact CZ-CE1 4.37Å; F217-Y234 HydrophobicContact CZ-CG 4.11Å; V232-Y234 HydrophobicContact CG1-CD1 4.11Å; V232-Y234 HydrophobicContact CG1-CE1 3.93Å; V232-Y234 PolarHBondContact O-N 3.09Å; Y234-F236 HydrophobicContact CE2-CE1 4.38Å; Y234-F236 AromaticContact CE2-CE2 3.81Å; Y234-F236 HydrophobicContact CE2-CE2 3.81Å; Y234-F236 AromaticContact CE2-CZ 3.74Å; Y234-F236 HydrophobicContact CE2-CZ 3.74Å; Y234-I252 HydrophobicContact CE2-CG2 4.36Å; Y234-R253 WeakPolarHBondContact OH-CA 3.33Å; Y234-L256 HydrophobicContact CD1-CD1 4.28Å; Y234-L256 HydrophobicContact CD2-CD1 4.2Å; Y234-L256 HydrophobicContact CE1-CB 3.73Å; Y234-L256 HydrophobicContact CE1-CD1 4.03Å; Y234-L256 HydrophobicContact CE2-CD1 3.96Å; Y234-L256 HydrophobicContact CG-CD1 4.36Å | ||
| 235 | D | 94.8 | Very high | 92 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 52% | 0.524 | 29% | 0.285 | S | S | . | . | trans | -132.4 | -179.7 | 174.2 | 66.4 | 18.3 | 0 | 0 | 0 | 111.5 | Y208 D237 | Y208-D235 VanDerWaalsContact CE2-O 3.31Å; Y208-D235 WeakPolarHBondContact CE2-O 3.36Å; Y208-D235 PolarHBondContact OH-O 3.21Å; Y208-D235 VanDerWaalsContact OH-O 3.05Å; D235-D237 PolarHBondContact OD1-N 3.36Å | ||
| 236 | F | 95.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 58 Ų | 58 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | trans | -114.5 | 65.6 | 169.9 | -65.2 | -77.3 | 0 | 0 | 0 | 108.7 | Y208 Y234 E238 F241 K249 I252 R253 | Y208-F236 HydrophobicContact CD2-CE1 4.14Å; Y208-F236 HydrophobicContact CE2-CD1 4.14Å; Y208-F236 HydrophobicContact CE2-CE1 4.19Å; Y234-F236 HydrophobicContact CE2-CE1 4.38Å; Y234-F236 AromaticContact CE2-CE2 3.81Å; Y234-F236 HydrophobicContact CE2-CE2 3.81Å; Y234-F236 AromaticContact CE2-CZ 3.74Å; Y234-F236 HydrophobicContact CE2-CZ 3.74Å; F236-E238 PolarHBondContact O-N 2.96Å; F236-F241 HydrophobicContact CB-CB 4.19Å; F236-F241 HydrophobicContact CB-CD2 4.13Å; F236-F241 HydrophobicContact CB-CG 4.08Å; F236-F241 AromaticContact CD1-CD1 3.69Å; F236-F241 HydrophobicContact CD1-CD1 3.69Å; F236-F241 HydrophobicContact CD1-CD2 4.04Å; F236-F241 AromaticContact CD1-CE1 3.65Å; F236-F241 HydrophobicContact CD1-CE1 3.65Å; F236-F241 HydrophobicContact CD1-CE2 4.01Å; F236-F241 AromaticContact CD1-CG 3.9Å; F236-F241 HydrophobicContact CD1-CG 3.9Å; F236-F241 AromaticContact CD1-CZ 3.81Å; F236-F241 HydrophobicContact CD1-CZ 3.81Å; F236-F241 HydrophobicContact CE1-CD1 4.41Å; F236-F241 HydrophobicContact CE1-CE1 4.03Å; F236-F241 HydrophobicContact CE1-CZ 4.25Å; F236-F241 HydrophobicContact CG-CG 4.49Å; F236-K249 HydrophobicContact CB-CD 4.25Å; F236-K249 HydrophobicContact CD1-CB 4.4Å; F236-K249 HydrophobicContact CD1-CD 4.36Å; F236-K249 HydrophobicContact CD1-CG 3.91Å; F236-K249 HydrophobicContact CD2-CB 4.48Å; F236-K249 HydrophobicContact CE1-CB 4.14Å; F236-K249 HydrophobicContact CE1-CG 4.07Å; F236-K249 HydrophobicContact CE2-CB 4.25Å; F236-K249 HydrophobicContact CG-CD 4.13Å; F236-K249 HydrophobicContact CG-CG 4.13Å; F236-K249 HydrophobicContact CZ-CB 4.05Å; F236-K249 HydrophobicContact CZ-CG 4.45Å; F236-I252 HydrophobicContact CE1-CB 4.18Å; F236-I252 HydrophobicContact CE1-CD1 4Å; F236-I252 HydrophobicContact CE1-CG2 4.07Å; F236-I252 HydrophobicContact CZ-CB 4.01Å; F236-I252 HydrophobicContact CZ-CG2 3.89Å; F236-R253 HydrophobicContact CE2-CG 3.55Å; F236-R253 HydrophobicContact CZ-CG 3.91Å | ||
| 237 | D | 90.7 | Very high | 92.6 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 34% | 0.337 | 32% | 0.323 | S | S | . | . | trans | -49.6 | 128 | 178.7 | 178.1 | -9.5 | 0 | 0 | 0 | 111.1 | D235 E239 Y240 F241 | D235-D237 PolarHBondContact OD1-N 3.36Å; D237-E239 PolarHBondContact O-N 3.47Å; D237-E239 WeakPolarHBondContact OD1-CB 3.23Å; D237-E239 PolarHBondContact OD1-N 3.39Å; D237-Y240 HydrophobicContact CB-CD2 3.81Å; D237-Y240 HydrophobicContact CB-CE2 4.12Å; D237-Y240 PolarHBondContact O-N 2.87Å; D237-F241 PolarHBondContact O-N 3.11Å | ||
| 238 | E | 88.4 | Confident | 92.8 | Very high | 123 Ų | 123 | 56.8 Ų | 56.8 | 58% | 0.575 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -56.9 | -28.7 | -178.4 | -76.4 | -64.9 | 157 | 0 | 0 | 112.1 | F236 Y240 S242 | F236-E238 PolarHBondContact O-N 2.96Å; E238-Y240 PolarHBondContact O-N 2.96Å; E238-S242 WeakPolarHBondContact O-CB 3.36Å; E238-S242 PolarHBondContact O-N 2.93Å; E238-S242 PolarHBondContact O-OG 3.17Å; E238-S242 VanDerWaalsContact O-OG 3.07Å; E238-S242 WeakPolarHBondContact OE2-CA 3.41Å |
| 239 | E | 87.6 | Confident | 93 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.5 | -38 | 173.3 | 175.6 | 168.3 | -178.5 | 0 | 0 | 111.4 | D237 R301 | D237-E239 PolarHBondContact O-N 3.47Å; D237-E239 WeakPolarHBondContact OD1-CB 3.23Å; D237-E239 PolarHBondContact OD1-N 3.39Å; E239-R301 VanDerWaalsContact CD-NH2 3.34Å; E239-R301 PolarHBondContact O-NH1 3.15Å; E239-R301 IonicContact OE1-CZ 3.46Å; E239-R301 IonicContact OE1-NH2 3.66Å; E239-R301 PolarHBondContact OE1-NH2 2.91Å |
| 240 | Y | 86.9 | Confident | 93.1 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 30% | 0.302 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -101.1 | -32.2 | -177.9 | -48.8 | -90.9 | 0 | 0 | 0 | 113.1 | A214 D237 E238 | A214-Y240 HydrophobicContact CB-CD1 3.91Å; A214-Y240 HydrophobicContact CB-CE1 4Å; A214-Y240 HydrophobicContact CB-CG 4.47Å; D237-Y240 HydrophobicContact CB-CD2 3.81Å; D237-Y240 HydrophobicContact CB-CE2 4.12Å; D237-Y240 PolarHBondContact O-N 2.87Å; E238-Y240 PolarHBondContact O-N 2.96Å |
| 241 | F | 91.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -111.6 | 8.2 | -168.7 | -74.8 | -89 | 0 | 0 | 0 | 115.3 | Y208 L211 F236 D237 N243 T244 K249 I252 | Y208-F241 HydrophobicContact CD1-CZ 4.15Å; Y208-F241 HydrophobicContact CD2-CE2 4.17Å; Y208-F241 AromaticContact CD2-CZ 3.59Å; Y208-F241 HydrophobicContact CD2-CZ 3.59Å; Y208-F241 AromaticContact CE1-CE2 3.93Å; Y208-F241 HydrophobicContact CE1-CE2 3.93Å; Y208-F241 AromaticContact CE1-CZ 3.99Å; Y208-F241 HydrophobicContact CE1-CZ 3.99Å; Y208-F241 AromaticContact CE2-CE2 3.49Å; Y208-F241 HydrophobicContact CE2-CE2 3.49Å; Y208-F241 VanDerWaalsContact CE2-CE2 3.49Å; Y208-F241 AromaticContact CE2-CZ 3.4Å; Y208-F241 HydrophobicContact CE2-CZ 3.4Å; Y208-F241 VanDerWaalsContact CE2-CZ 3.4Å; Y208-F241 AromaticContact CG-CZ 3.97Å; Y208-F241 HydrophobicContact CG-CZ 3.97Å; Y208-F241 AromaticContact CZ-CE2 3.36Å; Y208-F241 AromaticContact CZ-CZ 3.63Å; Y208-F241 WeakPolarHBondContact OH-CE2 3.43Å; L211-F241 HydrophobicContact CB-CE1 4.48Å; F236-F241 HydrophobicContact CB-CB 4.19Å; F236-F241 HydrophobicContact CB-CD2 4.13Å; F236-F241 HydrophobicContact CB-CG 4.08Å; F236-F241 AromaticContact CD1-CD1 3.69Å; F236-F241 HydrophobicContact CD1-CD1 3.69Å; F236-F241 HydrophobicContact CD1-CD2 4.04Å; F236-F241 AromaticContact CD1-CE1 3.65Å; F236-F241 HydrophobicContact CD1-CE1 3.65Å; F236-F241 HydrophobicContact CD1-CE2 4.01Å; F236-F241 AromaticContact CD1-CG 3.9Å; F236-F241 HydrophobicContact CD1-CG 3.9Å; F236-F241 AromaticContact CD1-CZ 3.81Å; F236-F241 HydrophobicContact CD1-CZ 3.81Å; F236-F241 HydrophobicContact CE1-CD1 4.41Å; F236-F241 HydrophobicContact CE1-CE1 4.03Å; F236-F241 HydrophobicContact CE1-CZ 4.25Å; F236-F241 HydrophobicContact CG-CG 4.49Å; D237-F241 PolarHBondContact O-N 3.11Å; F241-N243 PolarHBondContact O-N 2.91Å; F241-N243 VanDerWaalsContact O-N 3.16Å; F241-T244 HydrophobicContact CD1-CG2 3.77Å; F241-T244 HydrophobicContact CE1-CG2 4.27Å; F241-T244 PolarHBondContact O-N 3.26Å; F241-K249 HydrophobicContact CD1-CG 4.49Å; F241-K249 PolarHBondContact O-NZ 2.88Å; F241-I252 HydrophobicContact CE1-CD1 4.4Å |
| 242 | S | 88.2 | Confident | 93.6 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.9 | 177.9 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | E238 | E238-S242 WeakPolarHBondContact O-CB 3.36Å; E238-S242 PolarHBondContact O-N 2.93Å; E238-S242 PolarHBondContact O-OG 3.17Å; E238-S242 VanDerWaalsContact O-OG 3.07Å; E238-S242 WeakPolarHBondContact OE2-CA 3.41Å |
| 243 | N | 86 | Confident | 93.7 | Very high | 89 Ų | 89 | 56 Ų | 56 | 48% | 0.476 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -1 | 179.7 | -67 | -62.2 | 0 | 0 | 0 | 114.1 | F241 L297 | F241-N243 PolarHBondContact O-N 2.91Å; F241-N243 VanDerWaalsContact O-N 3.16Å; N243-L297 HydrophobicContact CB-CD2 4.4Å |
| 244 | T | 92.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -89.4 | 133.9 | -174.9 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | L211 F241 A248 K249 | L211-T244 HydrophobicContact CD1-CG2 4.08Å; F241-T244 HydrophobicContact CD1-CG2 3.77Å; F241-T244 HydrophobicContact CE1-CG2 4.27Å; F241-T244 PolarHBondContact O-N 3.26Å; T244-A248 HydrophobicContact CG2-CB 3.68Å; T244-K249 HydrophobicContact CG2-CG 4.43Å |
| 245 | S | 94.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 55 Ų | 55 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | trans | -67.2 | 149.7 | -177.6 | 77.2 | 0 | 0 | 0 | 0 | 112.7 | E113 L247 A248 K249 | E113-S245 WeakPolarHBondContact OE1-CB 3.19Å; E113-S245 PolarHBondContact OE1-N 2.82Å; E113-S245 PolarHBondContact OE1-OG 3.19Å; E113-S245 WeakPolarHBondContact OE2-CB 3.45Å; E113-S245 PolarHBondContact OE2-OG 3.42Å; S245-L247 PolarHBondContact O-N 3.24Å; S245-A248 WeakPolarHBondContact O-CB 3.45Å; S245-A248 PolarHBondContact O-N 3.26Å; S245-A248 PolarHBondContact OG-N 3.37Å; S245-K249 PolarHBondContact O-N 3.44Å; S245-K249 VanDerWaalsContact O-N 3.1Å | ||
| 246 | E | 94.8 | Very high | 94.1 | Very high | 122 Ų | 122 | 50.6 Ų | 50.6 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.5 | -28.6 | 175.3 | -170 | 57.1 | -156.6 | 0 | 0 | 112.1 | K249 D250 R253 | E246-K249 PolarHBondContact O-N 3.12Å; E246-D250 VanDerWaalsContact O-CB 3.3Å; E246-D250 WeakPolarHBondContact O-CB 3.19Å; E246-D250 PolarHBondContact O-N 3.25Å; E246-R253 IonicContact OE1-CZ 3.56Å; E246-R253 IonicContact OE1-NH2 3.78Å; E246-R253 PolarHBondContact OE1-NH2 3.34Å |
| 247 | L | 96.3 | Very high | 94.2 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -36.8 | 174.2 | -69.2 | 179.2 | 0 | 0 | 0 | 112.3 | S245 F251 H272 P273 W274 | S245-L247 PolarHBondContact O-N 3.24Å; L247-F251 PolarHBondContact O-N 3.27Å; L247-H272 PolarHBondContact O-CE1 2.98Å; L247-P273 HydrophobicContact CD2-CB 4.23Å; L247-W274 HydrophobicContact CB-CB 4.01Å; L247-W274 HydrophobicContact CB-CG 4.26Å |
| 248 | A | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.1 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L211 T244 S245 D250 F251 I252 W274 | L211-A248 HydrophobicContact CD1-CB 3.76Å; T244-A248 HydrophobicContact CG2-CB 3.68Å; S245-A248 WeakPolarHBondContact O-CB 3.45Å; S245-A248 PolarHBondContact O-N 3.26Å; S245-A248 PolarHBondContact OG-N 3.37Å; A248-D250 VanDerWaalsContact C-N 3.3Å; A248-D250 PolarHBondContact O-N 3.26Å; A248-F251 WeakPolarHBondContact O-CB 3.48Å; A248-F251 PolarHBondContact O-N 2.84Å; A248-I252 WeakPolarHBondContact O-CG1 3.18Å; A248-I252 PolarHBondContact O-N 3.41Å; A248-I252 VanDerWaalsContact O-N 3.09Å; A248-W274 HydrophobicContact CB-CD2 4.07Å; A248-W274 VanDerWaalsContact CB-CE2 3.48Å; A248-W274 HydrophobicContact CB-CG 4.4Å; A248-W274 HydrophobicContact CB-CH2 4.48Å; A248-W274 HydrophobicContact CB-CZ2 3.74Å |
| 249 | K | 97.6 | Very high | 95 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 174 | -63.4 | -178.2 | -177.7 | -172.8 | 0 | 111.2 | F236 F241 T244 S245 E246 I252 R253 | F236-K249 HydrophobicContact CB-CD 4.25Å; F236-K249 HydrophobicContact CD1-CB 4.4Å; F236-K249 HydrophobicContact CD1-CD 4.36Å; F236-K249 HydrophobicContact CD1-CG 3.91Å; F236-K249 HydrophobicContact CD2-CB 4.48Å; F236-K249 HydrophobicContact CE1-CB 4.14Å; F236-K249 HydrophobicContact CE1-CG 4.07Å; F236-K249 HydrophobicContact CE2-CB 4.25Å; F236-K249 HydrophobicContact CG-CD 4.13Å; F236-K249 HydrophobicContact CG-CG 4.13Å; F236-K249 HydrophobicContact CZ-CB 4.05Å; F236-K249 HydrophobicContact CZ-CG 4.45Å; F241-K249 HydrophobicContact CD1-CG 4.49Å; F241-K249 PolarHBondContact O-NZ 2.88Å; T244-K249 HydrophobicContact CG2-CG 4.43Å; S245-K249 PolarHBondContact O-N 3.44Å; S245-K249 VanDerWaalsContact O-N 3.1Å; E246-K249 PolarHBondContact O-N 3.12Å; K249-I252 PolarHBondContact O-N 3.23Å; K249-R253 WeakPolarHBondContact O-CB 3.26Å; K249-R253 WeakPolarHBondContact O-CG 3.45Å; K249-R253 PolarHBondContact O-N 2.91Å |
| 250 | D | 98.2 | Very high | 95.4 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 177.1 | -164.5 | 62.2 | 0 | 0 | 0 | 112.3 | E246 A248 I252 R253 R254 H272 | E246-D250 VanDerWaalsContact O-CB 3.3Å; E246-D250 WeakPolarHBondContact O-CB 3.19Å; E246-D250 PolarHBondContact O-N 3.25Å; A248-D250 VanDerWaalsContact C-N 3.3Å; A248-D250 PolarHBondContact O-N 3.26Å; D250-I252 PolarHBondContact O-N 3.39Å; D250-R253 PolarHBondContact O-N 3.04Å; D250-R253 IonicContact OD1-CZ 2.84Å; D250-R253 IonicContact OD1-NH1 3.71Å; D250-R253 PolarHBondContact OD1-NH1 3.16Å; D250-R253 IonicContact OD1-NH2 2.81Å; D250-R254 WeakPolarHBondContact O-CG 3.37Å; D250-R254 PolarHBondContact O-N 3.07Å; D250-R254 VanDerWaalsContact O-N 3.1Å; D250-R254 IonicContact OD1-NE 3.82Å; D250-R254 IonicContact OD2-CZ 2.99Å; D250-R254 VanDerWaalsContact OD2-CZ 3.29Å; D250-R254 IonicContact OD2-NE 3.48Å; D250-R254 PolarHBondContact OD2-NE 3.43Å; D250-R254 IonicContact OD2-NH2 3.71Å; D250-R254 PolarHBondContact OD2-NH2 3.24Å; D250-H272 IonicContact OD2-NE2 2.93Å; D250-H272 PolarHBondContact OD2-NE2 2.79Å |
| 251 | F | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.4 | -176.3 | -98.5 | 0 | 0 | 0 | 111.5 | L120 L124 T207 L247 A248 R254 L255 M264 H272 W274 I275 | L120-F251 HydrophobicContact CD2-CD1 4.43Å; L120-F251 HydrophobicContact CD2-CE1 3.73Å; L120-F251 HydrophobicContact CD2-CZ 4.19Å; L124-F251 HydrophobicContact CD1-CZ 4.24Å; T207-F251 HydrophobicContact CG2-CD1 4.12Å; T207-F251 HydrophobicContact CG2-CE1 4.33Å; L247-F251 PolarHBondContact O-N 3.27Å; A248-F251 WeakPolarHBondContact O-CB 3.48Å; A248-F251 PolarHBondContact O-N 2.84Å; F251-R254 PolarHBondContact O-N 3.33Å; F251-L255 HydrophobicContact CD1-CD1 3.86Å; F251-L255 HydrophobicContact CE1-CD1 3.34Å; F251-L255 HydrophobicContact CE1-CG 4.48Å; F251-L255 HydrophobicContact CZ-CD1 3.75Å; F251-L255 PolarHBondContact O-N 2.92Å; F251-M264 HydrophobicContact CD2-CE 3.58Å; F251-M264 HydrophobicContact CE2-CE 3.6Å; F251-M264 HydrophobicContact CG-CE 4.27Å; F251-M264 HydrophobicContact CZ-CE 4.28Å; F251-H272 HydrophobicContact CD2-CB 3.77Å; F251-H272 AromaticContact CD2-CG 3.55Å; F251-H272 AromaticContact CD2-ND1 3.51Å; F251-H272 HydrophobicContact CE2-CB 4.06Å; F251-W274 HydrophobicContact CB-CB 4.45Å; F251-W274 HydrophobicContact CB-CD2 4.41Å; F251-W274 HydrophobicContact CB-CE3 3.74Å; F251-W274 HydrophobicContact CB-CZ3 4.38Å; F251-W274 AromaticContact CD1-CE3 3.65Å; F251-W274 HydrophobicContact CD1-CE3 3.65Å; F251-W274 AromaticContact CD1-CZ3 3.59Å; F251-W274 HydrophobicContact CD1-CZ3 3.59Å; F251-W274 HydrophobicContact CD2-CE3 4.18Å; F251-W274 HydrophobicContact CE1-CE3 4.28Å; F251-W274 HydrophobicContact CE1-CZ3 4.03Å; F251-W274 AromaticContact CG-CE3 3.58Å; F251-W274 HydrophobicContact CG-CE3 3.58Å; F251-W274 HydrophobicContact CG-CZ3 4.03Å; F251-I275 HydrophobicContact CD2-CG1 4.21Å; F251-I275 HydrophobicContact CE2-CD1 4.15Å; F251-I275 HydrophobicContact CE2-CG1 3.72Å; F251-I275 HydrophobicContact CZ-CD1 4.19Å; F251-I275 HydrophobicContact CZ-CG1 4.2Å |
| 252 | I | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 177.3 | -66.2 | 165.4 | 0 | 0 | 0 | 110.7 | T207 Y208 L211 Y234 F236 F241 A248 K249 D250 R254 L255 L256 | T207-I252 HydrophobicContact CG2-CD1 4.14Å; T207-I252 HydrophobicContact CG2-CG1 3.82Å; Y208-I252 HydrophobicContact CD2-CD1 4.43Å; Y208-I252 HydrophobicContact CD2-CG2 4.22Å; L211-I252 HydrophobicContact CD1-CD1 4.15Å; Y234-I252 HydrophobicContact CE2-CG2 4.36Å; F236-I252 HydrophobicContact CE1-CB 4.18Å; F236-I252 HydrophobicContact CE1-CD1 4Å; F236-I252 HydrophobicContact CE1-CG2 4.07Å; F236-I252 HydrophobicContact CZ-CB 4.01Å; F236-I252 HydrophobicContact CZ-CG2 3.89Å; F241-I252 HydrophobicContact CE1-CD1 4.4Å; A248-I252 WeakPolarHBondContact O-CG1 3.18Å; A248-I252 PolarHBondContact O-N 3.41Å; A248-I252 VanDerWaalsContact O-N 3.09Å; K249-I252 PolarHBondContact O-N 3.23Å; D250-I252 PolarHBondContact O-N 3.39Å; I252-R254 PolarHBondContact O-N 2.91Å; I252-L255 PolarHBondContact O-N 3.48Å; I252-L256 HydrophobicContact CG2-CD1 3.55Å; I252-L256 HydrophobicContact CG2-CG 3.96Å; I252-L256 PolarHBondContact O-N 3.36Å |
| 253 | R | 98.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -57.2 | -35.7 | 179.7 | -81.5 | -175.2 | -87.8 | 103.8 | -2.1 | 113.5 | Y234 F236 E246 K249 D250 L255 V257 | Y234-R253 WeakPolarHBondContact OH-CA 3.33Å; F236-R253 HydrophobicContact CE2-CG 3.55Å; F236-R253 HydrophobicContact CZ-CG 3.91Å; E246-R253 IonicContact OE1-CZ 3.56Å; E246-R253 IonicContact OE1-NH2 3.78Å; E246-R253 PolarHBondContact OE1-NH2 3.34Å; K249-R253 WeakPolarHBondContact O-CB 3.26Å; K249-R253 WeakPolarHBondContact O-CG 3.45Å; K249-R253 PolarHBondContact O-N 2.91Å; D250-R253 PolarHBondContact O-N 3.04Å; D250-R253 IonicContact OD1-CZ 2.84Å; D250-R253 IonicContact OD1-NH1 3.71Å; D250-R253 PolarHBondContact OD1-NH1 3.16Å; D250-R253 IonicContact OD1-NH2 2.81Å; R253-L255 VanDerWaalsContact C-N 3.35Å; R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.13Å |
| 254 | R | 98.6 | Very high | 97.1 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -77.7 | -18.8 | 178.7 | -67.7 | 176.5 | -171.4 | -122.8 | 1.3 | 113.5 | D250 F251 I252 M264 | D250-R254 WeakPolarHBondContact O-CG 3.37Å; D250-R254 PolarHBondContact O-N 3.07Å; D250-R254 VanDerWaalsContact O-N 3.1Å; D250-R254 IonicContact OD1-NE 3.82Å; D250-R254 IonicContact OD2-CZ 2.99Å; D250-R254 VanDerWaalsContact OD2-CZ 3.29Å; D250-R254 IonicContact OD2-NE 3.48Å; D250-R254 PolarHBondContact OD2-NE 3.43Å; D250-R254 IonicContact OD2-NH2 3.71Å; D250-R254 PolarHBondContact OD2-NH2 3.24Å; F251-R254 PolarHBondContact O-N 3.33Å; I252-R254 PolarHBondContact O-N 2.91Å; R254-M264 HydrophobicContact CB-CB 3.95Å; R254-M264 HydrophobicContact CB-CE 3.87Å; R254-M264 HydrophobicContact CB-SD 3.97Å; R254-M264 WeakPolarHBondContact O-CB 3.29Å; R254-M264 PolarHBondContact O-N 3.28Å |
| 255 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -91.7 | -38.7 | 174.9 | -67.7 | 174.8 | 0 | 0 | 0 | 112.4 | M200 I203 F251 I252 R253 V257 R263 M264 | M200-L255 HydrophobicContact CB-CD2 4.02Å; M200-L255 HydrophobicContact CE-CD2 3.65Å; I203-L255 HydrophobicContact CB-CD1 4.5Å; I203-L255 HydrophobicContact CG2-CD1 3.99Å; F251-L255 HydrophobicContact CD1-CD1 3.86Å; F251-L255 HydrophobicContact CE1-CD1 3.34Å; F251-L255 HydrophobicContact CE1-CG 4.48Å; F251-L255 HydrophobicContact CZ-CD1 3.75Å; F251-L255 PolarHBondContact O-N 2.92Å; I252-L255 PolarHBondContact O-N 3.48Å; R253-L255 VanDerWaalsContact C-N 3.35Å; L255-V257 PolarHBondContact O-N 3.5Å; L255-R263 WeakPolarHBondContact O-CD 3.14Å; L255-R263 WeakPolarHBondContact O-CG 3.25Å; L255-R263 PolarHBondContact O-NE 3.04Å; L255-M264 HydrophobicContact CD1-CE 4.34Å; L255-M264 HydrophobicContact CD2-CB 4.13Å; L255-M264 HydrophobicContact CD2-CE 3.73Å; L255-M264 HydrophobicContact CG-CE 3.68Å |
| 256 | L | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86.1 | 59.8 | 179.6 | -59.4 | -173.9 | 0 | 0 | 0 | 111.2 | W201 V205 P216 F217 V232 Y234 I252 | W201-L256 HydrophobicContact CD2-CD2 3.93Å; W201-L256 HydrophobicContact CE3-CD2 4.06Å; W201-L256 HydrophobicContact CG-CD2 4.4Å; W201-L256 HydrophobicContact CZ2-CD2 4.43Å; W201-L256 HydrophobicContact CZ3-CB 4.31Å; W201-L256 HydrophobicContact CZ3-CD2 4.37Å; V205-L256 HydrophobicContact CG2-CD2 3.9Å; P216-L256 HydrophobicContact CB-CD1 4.35Å; P216-L256 HydrophobicContact CG-CD1 4.5Å; F217-L256 HydrophobicContact CE2-CD1 4.03Å; F217-L256 HydrophobicContact CE2-CD2 4.06Å; F217-L256 HydrophobicContact CZ-CD1 4.03Å; F217-L256 HydrophobicContact CZ-CD2 4.44Å; V232-L256 WeakPolarHBondContact CG1-O 3.39Å; Y234-L256 HydrophobicContact CD1-CD1 4.28Å; Y234-L256 HydrophobicContact CD2-CD1 4.2Å; Y234-L256 HydrophobicContact CE1-CB 3.73Å; Y234-L256 HydrophobicContact CE1-CD1 4.03Å; Y234-L256 HydrophobicContact CE2-CD1 3.96Å; Y234-L256 HydrophobicContact CG-CD1 4.36Å; I252-L256 HydrophobicContact CG2-CD1 3.55Å; I252-L256 HydrophobicContact CG2-CG 3.96Å; I252-L256 PolarHBondContact O-N 3.36Å |
| 257 | V | 98.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | trans | -110.7 | 130.9 | 179 | 179.4 | 0 | 0 | 0 | 0 | 109.6 | R253 L255 K262 R263 | R253-V257 VanDerWaalsContact O-CG2 3.29Å; R253-V257 WeakPolarHBondContact O-CG2 3.13Å; L255-V257 PolarHBondContact O-N 3.5Å; V257-K262 HydrophobicContact CG1-CB 3.96Å; V257-R263 HydrophobicContact CB-CB 4.39Å; V257-R263 HydrophobicContact CB-CG 4.5Å; V257-R263 PolarHBondContact O-NE 2.95Å; V257-R263 PolarHBondContact O-NH2 2.84Å | ||
| 258 | K | 97.1 | Very high | 97.8 | Very high | 107 Ų | 107 | 53.1 Ų | 53.1 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -58.1 | -52 | -178.3 | -170.6 | 167.7 | 177.2 | 159 | 0 | 112.7 | P186 S230 V232 P260 | P186-K258 HydrophobicContact CB-CG 4.49Å; S230-K258 WeakPolarHBondContact O-CE 3.46Å; S230-K258 PolarHBondContact O-NZ 3.46Å; V232-K258 HydrophobicContact CG2-CB 3.63Å; V232-K258 HydrophobicContact CG2-CD 4.28Å; V232-K258 HydrophobicContact CG2-CG 4.06Å; K258-P260 VanDerWaalsContact O-CD 3.25Å; K258-P260 WeakPolarHBondContact O-CD 3.16Å |
| 259 | D | 97.1 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -75.3 | 112.1 | -179.1 | -179.9 | -7.2 | 0 | 0 | 0 | 109.6 | K261 K262 R263 | D259-K261 PolarHBondContact O-N 3.48Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.39Å; D259-K261 PolarHBondContact OD1-N 3.25Å; D259-K262 HydrophobicContact CB-CB 4.29Å; D259-K262 HydrophobicContact CB-CD 4.1Å; D259-K262 HydrophobicContact CB-CG 4.27Å; D259-K262 PolarHBondContact O-N 3.13Å; D259-K262 WeakPolarHBondContact OD2-CD 3.16Å; D259-K262 WeakPolarHBondContact OD2-CE 3.39Å; D259-K262 IonicContact OD2-NZ 2.82Å; D259-K262 PolarHBondContact OD2-NZ 3.38Å; D259-R263 PolarHBondContact O-N 3.47Å |
| 260 | P | 96.3 | Very high | 97.8 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.143 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -57.8 | -33 | -177 | -24.1 | 35.2 | 0 | 0 | 0 | 112.3 | E187 E197 K258 K262 R263 | E187-P260 HydrophobicContact CB-CG 4.25Å; E187-P260 HydrophobicContact CG-CG 4.22Å; E197-P260 HydrophobicContact CB-CB 3.82Å; E197-P260 HydrophobicContact CG-CB 4.08Å; K258-P260 VanDerWaalsContact O-CD 3.25Å; K258-P260 WeakPolarHBondContact O-CD 3.16Å; P260-K262 PolarHBondContact O-N 2.8Å; P260-R263 VanDerWaalsContact O-CB 3.23Å; P260-R263 WeakPolarHBondContact O-CB 3.36Å; P260-R263 PolarHBondContact O-N 3.21Å; P260-R263 VanDerWaalsContact O-N 3.12Å |
| 261 | K | 95.8 | Very high | 97.7 | Very high | 196 Ų | 196 | 56.7 Ų | 56.7 | 85% | 0.852 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -70.2 | -19.8 | -178.7 | -61.2 | -178.4 | -179.7 | 178.1 | 0 | 113.7 | D259 | D259-K261 PolarHBondContact O-N 3.48Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.39Å; D259-K261 PolarHBondContact OD1-N 3.25Å |
| 262 | K | 97.4 | Very high | 97.6 | Very high | 156 Ų | 156 | 57 Ų | 57 | 68% | 0.678 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -98.8 | -9.4 | 176.1 | -65.8 | 177 | -173.5 | 161.2 | 0 | 112.2 | V257 D259 P260 | V257-K262 HydrophobicContact CG1-CB 3.96Å; D259-K262 HydrophobicContact CB-CB 4.29Å; D259-K262 HydrophobicContact CB-CD 4.1Å; D259-K262 HydrophobicContact CB-CG 4.27Å; D259-K262 PolarHBondContact O-N 3.13Å; D259-K262 WeakPolarHBondContact OD2-CD 3.16Å; D259-K262 WeakPolarHBondContact OD2-CE 3.39Å; D259-K262 IonicContact OD2-NZ 2.82Å; D259-K262 PolarHBondContact OD2-NZ 3.38Å; P260-K262 PolarHBondContact O-N 2.8Å |
| 263 | R | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -68.7 | 138.8 | 179 | -163.3 | 176.3 | -62.7 | 150.6 | 4 | 109.3 | E187 E197 M200 L255 V257 D259 P260 T265 | E187-R263 IonicContact OE1-CZ 3.47Å; E187-R263 IonicContact OE1-NH1 2.86Å; E187-R263 PolarHBondContact OE1-NH1 3.2Å; E187-R263 IonicContact OE1-NH2 3.9Å; E187-R263 PolarHBondContact OE1-NH2 3.05Å; E187-R263 IonicContact OE2-CZ 3.85Å; E187-R263 IonicContact OE2-NH1 2.74Å; E187-R263 IonicContact OE2-NH2 3.45Å; E187-R263 PolarHBondContact OE2-NH2 3.24Å; E197-R263 VanDerWaalsContact C-NH1 3.29Å; E197-R263 WeakPolarHBondContact O-CD 3.43Å; E197-R263 PolarHBondContact O-NH1 3.04Å; M200-R263 HydrophobicContact CB-CG 4.42Å; L255-R263 WeakPolarHBondContact O-CD 3.14Å; L255-R263 WeakPolarHBondContact O-CG 3.25Å; L255-R263 PolarHBondContact O-NE 3.04Å; V257-R263 HydrophobicContact CB-CB 4.39Å; V257-R263 HydrophobicContact CB-CG 4.5Å; V257-R263 PolarHBondContact O-NE 2.95Å; V257-R263 PolarHBondContact O-NH2 2.84Å; D259-R263 PolarHBondContact O-N 3.47Å; P260-R263 VanDerWaalsContact O-CB 3.23Å; P260-R263 WeakPolarHBondContact O-CB 3.36Å; P260-R263 PolarHBondContact O-N 3.21Å; P260-R263 VanDerWaalsContact O-N 3.12Å; R263-T265 PolarHBondContact O-N 3.08Å |
| 264 | M | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 129.6 | -179.6 | -176 | 168.7 | 57.3 | 0 | 0 | 110.9 | F251 R254 L255 D268 S269 H272 | F251-M264 HydrophobicContact CD2-CE 3.58Å; F251-M264 HydrophobicContact CE2-CE 3.6Å; F251-M264 HydrophobicContact CG-CE 4.27Å; F251-M264 HydrophobicContact CZ-CE 4.28Å; R254-M264 HydrophobicContact CB-CB 3.95Å; R254-M264 HydrophobicContact CB-CE 3.87Å; R254-M264 HydrophobicContact CB-SD 3.97Å; R254-M264 WeakPolarHBondContact O-CB 3.29Å; R254-M264 PolarHBondContact O-N 3.28Å; L255-M264 HydrophobicContact CD1-CE 4.34Å; L255-M264 HydrophobicContact CD2-CB 4.13Å; L255-M264 HydrophobicContact CD2-CE 3.73Å; L255-M264 HydrophobicContact CG-CE 3.68Å; M264-D268 HydrophobicContact CG-CB 3.57Å; M264-D268 HydrophobicContact SD-CB 4.35Å; M264-S269 WeakPolarHBondContact CE-OG 3.25Å; M264-H272 HydrophobicContact SD-CB 4.5Å |
| 265 | T | 98.2 | Very high | 97.1 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -73 | 167.8 | 178.6 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | R263 D267 D268 S269 | R263-T265 PolarHBondContact O-N 3.08Å; T265-D267 VanDerWaalsContact C-N 3.32Å; T265-D267 PolarHBondContact O-N 3.09Å; T265-D268 PolarHBondContact O-N 2.78Å; T265-D268 WeakPolarHBondContact OG1-CB 3.5Å; T265-D268 PolarHBondContact OG1-N 2.78Å; T265-D268 PolarHBondContact OG1-OD2 2.89Å; T265-S269 WeakPolarHBondContact O-CB 3.29Å; T265-S269 PolarHBondContact O-N 2.84Å; T265-S269 PolarHBondContact O-OG 2.86Å |
| 266 | I | 98.2 | Very high | 96.5 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.046 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.2 | -168.9 | 56.6 | 0 | 0 | 0 | 112.4 | L124 V127 H128 H131 M200 S269 L270 | L124-I266 HydrophobicContact CB-CD1 4.17Å; L124-I266 HydrophobicContact CD2-CD1 3.55Å; L124-I266 HydrophobicContact CG-CD1 4.49Å; V127-I266 HydrophobicContact CB-CD1 4.1Å; V127-I266 HydrophobicContact CG1-CD1 4.01Å; V127-I266 HydrophobicContact CG1-CG1 4.32Å; H128-I266 HydrophobicContact CB-CD1 4.48Å; H128-I266 HydrophobicContact CB-CG1 3.67Å; H131-I266 HydrophobicContact CB-CG2 3.96Å; M200-I266 HydrophobicContact CE-CB 4.29Å; M200-I266 HydrophobicContact CE-CD1 3.93Å; M200-I266 HydrophobicContact SD-CB 3.83Å; M200-I266 HydrophobicContact SD-CD1 3.91Å; M200-I266 HydrophobicContact SD-CG1 4.39Å; I266-S269 WeakPolarHBondContact O-CB 3.44Å; I266-S269 PolarHBondContact O-N 2.95Å; I266-L270 PolarHBondContact O-N 2.93Å |
| 267 | D | 97.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 175.7 | -70.3 | -66.3 | 0 | 0 | 0 | 111.1 | H128 T265 S269 L270 Q271 | H128-D267 IonicContact CD2-OD1 4Å; H128-D267 IonicContact NE2-OD1 3.3Å; H128-D267 PolarHBondContact NE2-OD1 3.02Å; T265-D267 VanDerWaalsContact C-N 3.32Å; T265-D267 PolarHBondContact O-N 3.09Å; D267-S269 VanDerWaalsContact C-N 3.27Å; D267-S269 PolarHBondContact O-N 3.15Å; D267-L270 PolarHBondContact O-N 2.8Å; D267-Q271 WeakPolarHBondContact O-CG 3.48Å; D267-Q271 PolarHBondContact O-N 3.34Å; D267-Q271 VanDerWaalsContact O-N 3.09Å |
| 268 | D | 97.6 | Very high | 93 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 48% | 0.481 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 178.4 | -67.9 | -40.2 | 0 | 0 | 0 | 111.7 | M264 T265 L270 Q271 H272 | M264-D268 HydrophobicContact CG-CB 3.57Å; M264-D268 HydrophobicContact SD-CB 4.35Å; T265-D268 PolarHBondContact O-N 2.78Å; T265-D268 WeakPolarHBondContact OG1-CB 3.5Å; T265-D268 PolarHBondContact OG1-N 2.78Å; T265-D268 PolarHBondContact OG1-OD2 2.89Å; D268-L270 PolarHBondContact O-N 3.36Å; D268-Q271 CarbonylContact O-C 3.52Å; D268-Q271 PolarHBondContact O-N 2.79Å; D268-Q271 VanDerWaalsContact O-N 3.12Å; D268-H272 PolarHBondContact O-N 2.83Å |
| 269 | S | 97.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | M200 M264 T265 I266 D267 Q271 H272 I275 | M200-S269 WeakPolarHBondContact CE-OG 3.1Å; M264-S269 WeakPolarHBondContact CE-OG 3.25Å; T265-S269 WeakPolarHBondContact O-CB 3.29Å; T265-S269 PolarHBondContact O-N 2.84Å; T265-S269 PolarHBondContact O-OG 2.86Å; I266-S269 WeakPolarHBondContact O-CB 3.44Å; I266-S269 PolarHBondContact O-N 2.95Å; D267-S269 VanDerWaalsContact C-N 3.27Å; D267-S269 PolarHBondContact O-N 3.15Å; S269-Q271 VanDerWaalsContact C-N 3.26Å; S269-Q271 PolarHBondContact O-N 3.09Å; S269-H272 VanDerWaalsContact O-CB 3.26Å; S269-H272 WeakPolarHBondContact O-CB 3.37Å; S269-H272 PolarHBondContact O-N 3.41Å; S269-I275 WeakPolarHBondContact O-CG1 3.5Å |
| 270 | L | 96.4 | Very high | 88.3 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -28 | 175.2 | -75 | 169.8 | 0 | 0 | 0 | 112.7 | L124 H128 I266 D267 D268 | L124-L270 HydrophobicContact CB-CD2 3.68Å; L124-L270 HydrophobicContact CB-CG 4.27Å; L124-L270 HydrophobicContact CD1-CD2 4.33Å; H128-L270 HydrophobicContact CB-CD1 3.88Å; I266-L270 PolarHBondContact O-N 2.93Å; D267-L270 PolarHBondContact O-N 2.8Å; D268-L270 PolarHBondContact O-N 3.36Å |
| 271 | Q | 96.2 | Very high | 86.1 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -85.8 | -10.3 | 175.4 | -57.4 | -48.6 | -68.1 | 0 | 0 | 113.7 | D267 D268 S269 K276 | D267-Q271 WeakPolarHBondContact O-CG 3.48Å; D267-Q271 PolarHBondContact O-N 3.34Å; D267-Q271 VanDerWaalsContact O-N 3.09Å; D268-Q271 CarbonylContact O-C 3.52Å; D268-Q271 PolarHBondContact O-N 2.79Å; D268-Q271 VanDerWaalsContact O-N 3.12Å; S269-Q271 VanDerWaalsContact C-N 3.26Å; S269-Q271 PolarHBondContact O-N 3.09Å; Q271-K276 WeakPolarHBondContact O-CD 2.98Å |
| 272 | H | 97.2 | Very high | 83.8 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -59.4 | 138 | -175 | -169.8 | -95.4 | 0 | 0 | 0 | 111.6 | L247 D250 F251 M264 D268 S269 W274 I275 K276 | L247-H272 PolarHBondContact O-CE1 2.98Å; D250-H272 IonicContact OD2-NE2 2.93Å; D250-H272 PolarHBondContact OD2-NE2 2.79Å; F251-H272 HydrophobicContact CD2-CB 3.77Å; F251-H272 AromaticContact CD2-CG 3.55Å; F251-H272 AromaticContact CD2-ND1 3.51Å; F251-H272 HydrophobicContact CE2-CB 4.06Å; M264-H272 HydrophobicContact SD-CB 4.5Å; D268-H272 PolarHBondContact O-N 2.83Å; S269-H272 VanDerWaalsContact O-CB 3.26Å; S269-H272 WeakPolarHBondContact O-CB 3.37Å; S269-H272 PolarHBondContact O-N 3.41Å; H272-W274 VanDerWaalsContact C-N 3.25Å; H272-W274 VanDerWaalsContact ND1-CB 3.33Å; H272-W274 WeakPolarHBondContact ND1-CB 3.17Å; H272-W274 PolarHBondContact ND1-N 3.41Å; H272-W274 VanDerWaalsContact ND1-N 3.19Å; H272-W274 PolarHBondContact O-N 3.14Å; H272-W274 VanDerWaalsContact O-N 3.16Å; H272-I275 HydrophobicContact CB-CG1 4.45Å; H272-I275 PolarHBondContact O-N 3.37Å; H272-K276 PolarHBondContact O-N 2.91Å |
| 273 | P | 94.9 | Very high | 81.5 | Confident | 65 Ų | 65 | 67 Ų | 67 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.5 | -39.2 | -177 | -28 | 35.2 | 0 | 0 | 0 | 113.5 | L247 I275 K276 V277 | L247-P273 HydrophobicContact CD2-CB 4.23Å; P273-I275 VanDerWaalsContact C-N 3.28Å; P273-I275 PolarHBondContact O-N 2.92Å; P273-K276 PolarHBondContact O-N 2.89Å; P273-V277 HydrophobicContact CB-CG2 4.3Å; P273-V277 WeakPolarHBondContact O-CB 3.21Å; P273-V277 WeakPolarHBondContact O-CG2 3.23Å; P273-V277 PolarHBondContact O-N 3.14Å |
| 274 | W | 95.3 | Very high | 79 | Confident | 11 Ų | 11 | 76 Ų | 76 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.5 | -39.8 | 177.6 | -170.3 | 56.8 | 0 | 0 | 0 | 113 | E113 T117 L120 T207 L211 L247 A248 F251 H272 | E113-W274 PolarHBondContact OE2-NE1 2.79Å; T117-W274 HydrophobicContact CG2-CD2 3.68Å; T117-W274 HydrophobicContact CG2-CE3 4.04Å; T117-W274 HydrophobicContact CG2-CG 4.3Å; T117-W274 HydrophobicContact CG2-CH2 3.86Å; T117-W274 HydrophobicContact CG2-CZ2 3.48Å; T117-W274 VanDerWaalsContact CG2-CZ2 3.48Å; T117-W274 HydrophobicContact CG2-CZ3 4.14Å; L120-W274 HydrophobicContact CD2-CE3 4.22Å; L120-W274 HydrophobicContact CD2-CH2 3.82Å; L120-W274 HydrophobicContact CD2-CZ3 3.27Å; T207-W274 HydrophobicContact CG2-CH2 3.64Å; T207-W274 HydrophobicContact CG2-CZ3 3.62Å; L211-W274 HydrophobicContact CD1-CH2 3.86Å; L211-W274 HydrophobicContact CD1-CZ2 3.83Å; L211-W274 HydrophobicContact CD2-CH2 4.34Å; L211-W274 HydrophobicContact CD2-CZ2 4.09Å; L211-W274 HydrophobicContact CG-CH2 4.47Å; L247-W274 HydrophobicContact CB-CB 4.01Å; L247-W274 HydrophobicContact CB-CG 4.26Å; A248-W274 HydrophobicContact CB-CD2 4.07Å; A248-W274 VanDerWaalsContact CB-CE2 3.48Å; A248-W274 HydrophobicContact CB-CG 4.4Å; A248-W274 HydrophobicContact CB-CH2 4.48Å; A248-W274 HydrophobicContact CB-CZ2 3.74Å; F251-W274 HydrophobicContact CB-CB 4.45Å; F251-W274 HydrophobicContact CB-CD2 4.41Å; F251-W274 HydrophobicContact CB-CE3 3.74Å; F251-W274 HydrophobicContact CB-CZ3 4.38Å; F251-W274 AromaticContact CD1-CE3 3.65Å; F251-W274 HydrophobicContact CD1-CE3 3.65Å; F251-W274 AromaticContact CD1-CZ3 3.59Å; F251-W274 HydrophobicContact CD1-CZ3 3.59Å; F251-W274 HydrophobicContact CD2-CE3 4.18Å; F251-W274 HydrophobicContact CE1-CE3 4.28Å; F251-W274 HydrophobicContact CE1-CZ3 4.03Å; F251-W274 AromaticContact CG-CE3 3.58Å; F251-W274 HydrophobicContact CG-CE3 3.58Å; F251-W274 HydrophobicContact CG-CZ3 4.03Å; H272-W274 VanDerWaalsContact C-N 3.25Å; H272-W274 VanDerWaalsContact ND1-CB 3.33Å; H272-W274 WeakPolarHBondContact ND1-CB 3.17Å; H272-W274 PolarHBondContact ND1-N 3.41Å; H272-W274 VanDerWaalsContact ND1-N 3.19Å; H272-W274 PolarHBondContact O-N 3.14Å; H272-W274 VanDerWaalsContact O-N 3.16Å |
| 275 | I | 94.1 | Very high | 76.4 | Confident | 14 Ų | 14 | 82 Ų | 82 | 7% | 0.072 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -79.3 | -40.7 | 177.8 | -54.9 | -58 | 0 | 0 | 0 | 111.3 | T117 L120 L124 F251 S269 H272 P273 | T117-I275 HydrophobicContact CG2-CD1 4.28Å; L120-I275 HydrophobicContact CD2-CD1 3.78Å; L120-I275 HydrophobicContact CG-CD1 4.32Å; L124-I275 HydrophobicContact CD1-CD1 3.99Å; L124-I275 HydrophobicContact CD1-CG1 4.02Å; L124-I275 HydrophobicContact CD1-CG2 4.28Å; F251-I275 HydrophobicContact CD2-CG1 4.21Å; F251-I275 HydrophobicContact CE2-CD1 4.15Å; F251-I275 HydrophobicContact CE2-CG1 3.72Å; F251-I275 HydrophobicContact CZ-CD1 4.19Å; F251-I275 HydrophobicContact CZ-CG1 4.2Å; S269-I275 WeakPolarHBondContact O-CG1 3.5Å; H272-I275 HydrophobicContact CB-CG1 4.45Å; H272-I275 PolarHBondContact O-N 3.37Å; P273-I275 VanDerWaalsContact C-N 3.28Å; P273-I275 PolarHBondContact O-N 2.92Å |
| 276 | K | 86.2 | Confident | 74 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.2 | -34.3 | -176.4 | -100.3 | -169.3 | 178.7 | 168.7 | 0 | 115.2 | Q271 H272 P273 I278 K279 | Q271-K276 WeakPolarHBondContact O-CD 2.98Å; H272-K276 PolarHBondContact O-N 2.91Å; P273-K276 PolarHBondContact O-N 2.89Å; K276-I278 PolarHBondContact O-N 3.45Å; K276-K279 PolarHBondContact O-N 3.13Å; K276-K279 VanDerWaalsContact O-N 3.08Å |
| 277 | V | 65.3 | Low | 71.4 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 38% | 0.376 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.8 | -24.7 | -165.1 | 157.7 | 0 | 0 | 0 | 0 | 113 | P273 R280 | P273-V277 HydrophobicContact CB-CG2 4.3Å; P273-V277 WeakPolarHBondContact O-CB 3.21Å; P273-V277 WeakPolarHBondContact O-CG2 3.23Å; P273-V277 PolarHBondContact O-N 3.14Å; V277-R280 PolarHBondContact O-N 3.39Å |
| 278 | I | 57.3 | Low | 68.7 | Low | 30 Ų | 30 | 97.6 Ų | 97.6 | 15% | 0.154 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -76.1 | -26.4 | -177.1 | -62.6 | 157.6 | 0 | 0 | 0 | 112.8 | E114 T117 K276 R280 R281 | E114-I278 HydrophobicContact CB-CD1 4.25Å; E114-I278 HydrophobicContact CG-CD1 3.98Å; E114-I278 HydrophobicContact CG-CG1 4.18Å; E114-I278 HydrophobicContact CG-CG2 4.12Å; T117-I278 HydrophobicContact CG2-CD1 4.48Å; T117-I278 WeakPolarHBondContact OG1-CD1 3.4Å; K276-I278 PolarHBondContact O-N 3.45Å; I278-R280 VanDerWaalsContact C-N 3.25Å; I278-R280 PolarHBondContact O-N 2.8Å; I278-R281 PolarHBondContact O-N 3.14Å |
| 279 | K | 49.3 | Very low | 66.1 | Low | 157 Ų | 157 | 97.4 Ų | 97.4 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -33.1 | 173.3 | -97.1 | -170.5 | 174.9 | -177.3 | 0 | 112.4 | K276 | K276-K279 PolarHBondContact O-N 3.13Å; K276-K279 VanDerWaalsContact O-N 3.08Å |
| 280 | R | 47.4 | Very low | 63.3 | Low | 195 Ų | 195 | 106.7 Ų | 106.7 | 74% | 0.736 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79.5 | -24.6 | -176.6 | -71.2 | -176.8 | 177 | 170.7 | -0.8 | 113.5 | V277 I278 | V277-R280 PolarHBondContact O-N 3.39Å; I278-R280 VanDerWaalsContact C-N 3.25Å; I278-R280 PolarHBondContact O-N 2.8Å |
| 281 | R | 49.8 | Very low | 60.5 | Low | 131 Ų | 131 | 115.4 Ų | 115.4 | 49% | 0.494 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -77 | -38.3 | 178.2 | -92.6 | -177.4 | 167.9 | 156.1 | 1.3 | 112.7 | I278 V283 R284 Q285 | I278-R281 PolarHBondContact O-N 3.14Å; R281-V283 PolarHBondContact O-N 3.27Å; R281-R284 PolarHBondContact O-N 3.38Å; R281-Q285 PolarHBondContact O-N 3.21Å |
| 282 | N | 47.1 | Very low | 58.1 | Low | 106 Ų | 106 | 114 Ų | 114 | 57% | 0.567 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.2 | -19.2 | 179.8 | -70.6 | -6.6 | 0 | 0 | 0 | 113.9 | ||
| 283 | V | 48.7 | Very low | 55.7 | Low | 126 Ų | 126 | 122.6 Ų | 122.6 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -94.3 | -17.7 | 177.8 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | R281 | R281-V283 PolarHBondContact O-N 3.27Å |
| 284 | R | 45.3 | Very low | 54 | Low | 197 Ų | 197 | 127.1 Ų | 127.1 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -108.8 | 5.3 | -175.9 | -68.8 | -174.7 | 176.2 | -170.1 | -2.6 | 114.3 | R281 E286 E287 | R281-R284 PolarHBondContact O-N 3.38Å; R284-E286 PolarHBondContact O-N 3.16Å; R284-E286 VanDerWaalsContact O-N 3.13Å; R284-E287 PolarHBondContact O-N 3.06Å |
| 285 | Q | 44.5 | Very low | 52.7 | Low | 140 Ų | 140 | 134 Ų | 134 | 65% | 0.654 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 25.5 | -175.4 | -110.3 | -173.5 | 5.4 | 0 | 0 | 115.2 | R281 | R281-Q285 PolarHBondContact O-N 3.21Š|
| 286 | E | 47.4 | Very low | 51.7 | Low | 197 Ų | 197 | 141 Ų | 141 | 92% | 0.921 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -12 | 163.2 | -72.7 | -172.4 | 163.2 | 0 | 0 | 113.3 | R284 | R284-E286 PolarHBondContact O-N 3.16Å; R284-E286 VanDerWaalsContact O-N 3.13Å |
| 287 | E | 43.5 | Very low | 51.3 | Low | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -137.1 | 87.5 | -177.7 | -67 | -168 | 166.2 | 0 | 0 | 112.8 | R284 | R284-E287 PolarHBondContact O-N 3.06Š|
| 288 | S | 40.9 | Very low | 51.9 | Low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | 156.9 | 115.8 | 142.8 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | K290 | S288-K290 PolarHBondContact O-N 2.75Š| ||
| 289 | G | 42.7 | Very low | 53.2 | Low | 86 Ų | 86 | 141.1 Ų | 141.1 | 89% | 0.887 | 66% | 0.66 | S | S | * | * | trans | -79.9 | 58.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 290 | K | 40.2 | Very low | 54.7 | Low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 65% | 0.65 | S | S | * | * | trans | -137.6 | 99.5 | 161 | -72.8 | -172.2 | 179.2 | 179.5 | 0 | 109.9 | S288 P292 | S288-K290 PolarHBondContact O-N 2.75Å; K290-P292 VanDerWaalsContact O-CD 3.24Å; K290-P292 WeakPolarHBondContact O-CD 3.5Å | ||
| 291 | K | 37.2 | Very low | 56.4 | Low | 209 Ų | 209 | 131.2 Ų | 131.2 | 91% | 0.909 | 63% | 0.627 | S | S | * | * | trans | -64.1 | 115.3 | 172.7 | -79 | -179.2 | 177.9 | 175.8 | 0 | 108.4 | E293 | K291-E293 PolarHBondContact O-N 2.86Š| ||
| 292 | P | 45.6 | Very low | 58 | Low | 76 Ų | 76 | 125.2 Ų | 125.2 | 49% | 0.494 | 61% | 0.605 | S | S | . | * | trans | -65.9 | 134.7 | 169.1 | 26.1 | -28.1 | 0 | 0 | 0 | 108.1 | K290 R294 | K290-P292 VanDerWaalsContact O-CD 3.24Å; K290-P292 WeakPolarHBondContact O-CD 3.5Å; P292-R294 PolarHBondContact O-N 2.97Å | ||
| 293 | E | 46.9 | Very low | 59.8 | Low | 189 Ų | 189 | 124 Ų | 124 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | trans | -54.9 | 113.9 | 176.2 | -162.3 | 169.9 | -166.7 | 0 | 0 | 108.9 | K291 R295 | K291-E293 PolarHBondContact O-N 2.86Å; E293-R295 PolarHBondContact O-N 3.39Å | ||
| 294 | R | 58.8 | Low | 61.5 | Low | 160 Ų | 160 | 123 Ų | 123 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | trans | -68.9 | 107 | -179.9 | -77.3 | 178.7 | 161.3 | 168.3 | -6 | 107.3 | T112 E114 P292 R296 | T112-R294 HydrophobicContact CG2-CB 4.4Å; E114-R294 IonicContact OE2-CZ 3.67Å; E114-R294 IonicContact OE2-NE 2.95Å; E114-R294 IonicContact OE2-NH2 2.75Å; E114-R294 PolarHBondContact OE2-NH2 2.91Å; P292-R294 PolarHBondContact O-N 2.97Å; R294-R296 WeakPolarHBondContact O-CG 3.41Å; R294-R296 PolarHBondContact O-N 3.18Å; R294-R296 VanDerWaalsContact O-N 3.15Å | ||
| 295 | R | 68.1 | Low | 63.4 | Low | 156 Ų | 156 | 114.7 Ų | 114.7 | 59% | 0.589 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 116.9 | 174.2 | -63.2 | -179.7 | -176.8 | -177.7 | -2.6 | 108.6 | E293 | E293-R295 PolarHBondContact O-N 3.39Š|
| 296 | R | 72.7 | Confident | 65.2 | Low | 161 Ų | 161 | 108.6 Ų | 108.6 | 61% | 0.608 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.4 | -178.9 | -64.7 | -179.9 | 97.1 | 174.3 | 5.2 | 108.3 | S110 T112 R294 | S110-R296 PolarHBondContact OG-NE 3.12Å; S110-R296 PolarHBondContact OG-NH2 3.06Å; T112-R296 HydrophobicContact CG2-CG 4.31Å; R294-R296 WeakPolarHBondContact O-CG 3.41Å; R294-R296 PolarHBondContact O-N 3.18Å; R294-R296 VanDerWaalsContact O-N 3.15Å |
| 297 | L | 79.2 | Confident | 66.8 | Low | 12 Ų | 12 | 104.6 Ų | 104.6 | 6% | 0.063 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 132.2 | 170.2 | -56.9 | 166.3 | 0 | 0 | 0 | 107.9 | S110 L111 E113 L211 N243 | S110-L297 WeakPolarHBondContact CA-O 3.35Å; L111-L297 PolarHBondContact N-O 3.45Å; L111-L297 WeakPolarHBondContact O-CA 3.49Å; L111-L297 WeakPolarHBondContact O-CB 3.39Å; L111-L297 PolarHBondContact O-N 3.49Å; E113-L297 HydrophobicContact CG-CD1 4.09Å; L211-L297 HydrophobicContact CD2-CD1 3.68Å; N243-L297 HydrophobicContact CB-CD2 4.4Å |
| 298 | K | 78.1 | Confident | 68.5 | Low | 175 Ų | 175 | 102.6 Ų | 102.6 | 76% | 0.761 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134.5 | 171.7 | -67 | -177.4 | -178.9 | 177.9 | 0 | 108.4 | ||
| 299 | T | 82.9 | Confident | 70 | Confident | 4 Ų | 4 | 98.2 Ų | 98.2 | 3% | 0.025 | 46% | 0.464 | C | S | . | . | trans | -92.7 | -0.6 | -179.6 | 52.7 | 0 | 0 | 0 | 0 | 113.1 | K108 E109 L111 R301 L302 K303 | K108-T299 VanDerWaalsContact O-CB 3.31Å; K108-T299 WeakPolarHBondContact O-CB 3.31Å; K108-T299 WeakPolarHBondContact O-CG2 3.34Å; K108-T299 PolarHBondContact O-OG1 3.31Å; E109-T299 PolarHBondContact O-OG1 2.85Å; L111-T299 HydrophobicContact CB-CG2 4.03Å; T299-R301 VanDerWaalsContact C-N 3.28Å; T299-R301 PolarHBondContact O-N 3.37Å; T299-L302 WeakPolarHBondContact O-CB 3.48Å; T299-L302 PolarHBondContact O-N 2.88Å; T299-K303 WeakPolarHBondContact O-CG 3.26Å; T299-K303 PolarHBondContact O-N 3.24Å | ||
| 300 | T | 81.9 | Confident | 71.4 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -55.8 | -42.3 | -177.1 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | K303 E304 | T300-K303 WeakPolarHBondContact O-CB 3.49Å; T300-K303 PolarHBondContact O-N 3.27Å; T300-E304 WeakPolarHBondContact O-CG 3.09Å; T300-E304 PolarHBondContact O-N 2.71Å |
| 301 | R | 82.8 | Confident | 72.2 | Confident | 67 Ų | 67 | 93.5 Ų | 93.5 | 25% | 0.253 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.3 | -34.2 | 177 | -68.4 | -171.3 | 179.6 | 143.9 | 3.7 | 113.1 | E239 T299 K303 E304 Y305 | E239-R301 VanDerWaalsContact CD-NH2 3.34Å; E239-R301 PolarHBondContact O-NH1 3.15Å; E239-R301 IonicContact OE1-CZ 3.46Å; E239-R301 IonicContact OE1-NH2 3.66Å; E239-R301 PolarHBondContact OE1-NH2 2.91Å; T299-R301 VanDerWaalsContact C-N 3.28Å; T299-R301 PolarHBondContact O-N 3.37Å; R301-K303 VanDerWaalsContact C-N 3.29Å; R301-K303 PolarHBondContact O-N 3.24Å; R301-E304 WeakPolarHBondContact O-CB 3.13Å; R301-E304 PolarHBondContact O-N 2.91Å; R301-Y305 PolarHBondContact O-N 3.31Å |
| 302 | L | 84.1 | Confident | 72.7 | Confident | 5 Ų | 5 | 87.8 Ų | 87.8 | 3% | 0.026 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 172.3 | -169.7 | 64.7 | 0 | 0 | 0 | 110.5 | F102 L105 I209 T299 E304 Y305 T306 | F102-L302 HydrophobicContact CD1-CD1 3.63Å; F102-L302 HydrophobicContact CE1-CD1 3.97Å; L105-L302 HydrophobicContact CB-CD2 3.8Å; I209-L302 HydrophobicContact CG2-CD1 4.5Å; T299-L302 WeakPolarHBondContact O-CB 3.48Å; T299-L302 PolarHBondContact O-N 2.88Å; L302-E304 PolarHBondContact O-N 2.81Å; L302-Y305 PolarHBondContact O-N 3.46Å; L302-T306 WeakPolarHBondContact O-CB 3.4Å; L302-T306 PolarHBondContact O-N 3.5Å; L302-T306 PolarHBondContact O-OG1 2.97Å; L302-T306 VanDerWaalsContact O-OG1 3.04Å |
| 303 | K | 84.8 | Confident | 72.6 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 35% | 0.348 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 170.7 | -66.8 | 174.8 | 176.9 | -173.6 | 0 | 111.6 | A106 T299 T300 R301 T306 I307 | A106-K303 HydrophobicContact CB-CB 4.34Å; A106-K303 HydrophobicContact CB-CG 3.77Å; A106-K303 WeakPolarHBondContact O-CE 3.29Å; A106-K303 WeakPolarHBondContact O-CG 3.48Å; T299-K303 WeakPolarHBondContact O-CG 3.26Å; T299-K303 PolarHBondContact O-N 3.24Å; T300-K303 WeakPolarHBondContact O-CB 3.49Å; T300-K303 PolarHBondContact O-N 3.27Å; R301-K303 VanDerWaalsContact C-N 3.29Å; R301-K303 PolarHBondContact O-N 3.24Å; K303-T306 PolarHBondContact O-N 3.47Å; K303-I307 WeakPolarHBondContact O-CD1 3.39Å; K303-I307 VanDerWaalsContact O-CG1 3.25Å; K303-I307 WeakPolarHBondContact O-CG1 3.36Å; K303-I307 PolarHBondContact O-N 2.94Å |
| 304 | E | 84.7 | Confident | 72.2 | Confident | 106 Ų | 106 | 84.2 Ų | 84.2 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.2 | -71.8 | 169 | -159.9 | 0 | 0 | 112.3 | T300 R301 L302 I307 K308 | T300-E304 WeakPolarHBondContact O-CG 3.09Å; T300-E304 PolarHBondContact O-N 2.71Å; R301-E304 WeakPolarHBondContact O-CB 3.13Å; R301-E304 PolarHBondContact O-N 2.91Å; L302-E304 PolarHBondContact O-N 2.81Å; E304-I307 PolarHBondContact O-N 3.43Å; E304-K308 WeakPolarHBondContact O-CB 3.47Å; E304-K308 VanDerWaalsContact O-CG 3.3Å; E304-K308 WeakPolarHBondContact O-CG 3.41Å; E304-K308 PolarHBondContact O-N 2.68Å |
| 305 | Y | 83.8 | Confident | 71.4 | Confident | 22 Ų | 22 | 82.3 Ų | 82.3 | 9% | 0.086 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.5 | -51 | 175.8 | 177.5 | -92.2 | 0 | 0 | 0 | 111.3 | E182 F183 I209 G213 R301 L302 I307 K308 S309 | E182-Y305 PolarHBondContact OE1-OH 3.23Å; E182-Y305 PolarHBondContact OE2-OH 3.44Å; F183-Y305 WeakPolarHBondContact CZ-OH 3.45Å; I209-Y305 HydrophobicContact CD1-CE2 4.41Å; I209-Y305 HydrophobicContact CG2-CD1 3.72Å; I209-Y305 HydrophobicContact CG2-CD2 4.05Å; I209-Y305 HydrophobicContact CG2-CE1 3.63Å; I209-Y305 HydrophobicContact CG2-CE2 3.95Å; I209-Y305 HydrophobicContact CG2-CG 3.94Å; G213-Y305 WeakPolarHBondContact O-CB 3.3Å; R301-Y305 PolarHBondContact O-N 3.31Å; L302-Y305 PolarHBondContact O-N 3.46Å; Y305-I307 PolarHBondContact O-N 3.05Å; Y305-K308 PolarHBondContact O-N 3.12Å; Y305-K308 VanDerWaalsContact O-N 3.17Å; Y305-S309 PolarHBondContact O-N 2.95Å |
| 306 | T | 82.5 | Confident | 70.4 | Confident | 11 Ų | 11 | 78.7 Ų | 78.7 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 179.1 | -68.1 | 0 | 0 | 0 | 0 | 111.9 | D103 L302 K303 K308 S309 H310 | D103-T306 WeakPolarHBondContact OD1-CG2 3.39Å; L302-T306 WeakPolarHBondContact O-CB 3.4Å; L302-T306 PolarHBondContact O-N 3.5Å; L302-T306 PolarHBondContact O-OG1 2.97Å; L302-T306 VanDerWaalsContact O-OG1 3.04Å; K303-T306 PolarHBondContact O-N 3.47Å; T306-K308 VanDerWaalsContact C-N 3.34Å; T306-K308 PolarHBondContact O-N 3.39Å; T306-S309 PolarHBondContact O-N 3.25Å; T306-H310 PolarHBondContact O-CD2 3.5Å; T306-H310 PolarHBondContact O-N 3.18Å; T306-H310 VanDerWaalsContact O-N 3.13Å |
| 307 | I | 81.3 | Confident | 68.9 | Low | 114 Ų | 114 | 75.5 Ų | 75.5 | 59% | 0.585 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 177.4 | -67.8 | 164.9 | 0 | 0 | 0 | 111.1 | K303 E304 Y305 S311 | K303-I307 WeakPolarHBondContact O-CD1 3.39Å; K303-I307 VanDerWaalsContact O-CG1 3.25Å; K303-I307 WeakPolarHBondContact O-CG1 3.36Å; K303-I307 PolarHBondContact O-N 2.94Å; E304-I307 PolarHBondContact O-N 3.43Å; Y305-I307 PolarHBondContact O-N 3.05Å; I307-S311 WeakPolarHBondContact O-CB 3.33Å; I307-S311 PolarHBondContact O-N 3.44Å; I307-S311 VanDerWaalsContact O-N 3.13Å; I307-S311 PolarHBondContact O-OG 2.77Å |
| 308 | K | 79.5 | Confident | 67.4 | Low | 132 Ų | 132 | 77.9 Ų | 77.9 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 176.3 | -74.7 | 175.6 | -176.4 | 178.8 | 0 | 111.4 | E304 Y305 T306 H310 S311 S312 | E304-K308 WeakPolarHBondContact O-CB 3.47Å; E304-K308 VanDerWaalsContact O-CG 3.3Å; E304-K308 WeakPolarHBondContact O-CG 3.41Å; E304-K308 PolarHBondContact O-N 2.68Å; Y305-K308 PolarHBondContact O-N 3.12Å; Y305-K308 VanDerWaalsContact O-N 3.17Å; T306-K308 VanDerWaalsContact C-N 3.34Å; T306-K308 PolarHBondContact O-N 3.39Å; K308-H310 VanDerWaalsContact C-N 3.31Å; K308-H310 PolarHBondContact O-N 3.37Å; K308-S311 WeakPolarHBondContact CA-OG 3.5Å; K308-S311 PolarHBondContact O-N 2.95Å; K308-S311 VanDerWaalsContact O-N 3.14Å; K308-S311 PolarHBondContact O-OG 3.26Å; K308-S312 VanDerWaalsContact O-CB 3.25Å; K308-S312 WeakPolarHBondContact O-CB 3.23Å; K308-S312 PolarHBondContact O-N 3.46Å; K308-S312 PolarHBondContact O-OG 2.93Å; K308-S312 VanDerWaalsContact O-OG 3.09Å |
| 309 | S | 72.5 | Confident | 65.7 | Low | 26 Ų | 26 | 72.2 Ų | 72.2 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 178.3 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | E143 Y305 T306 S311 | E143-S309 PolarHBondContact OE1-OG 3Å; Y305-S309 PolarHBondContact O-N 2.95Å; T306-S309 PolarHBondContact O-N 3.25Å; S309-S311 PolarHBondContact O-N 3.42Å |
| 310 | H | 71.4 | Confident | 64 | Low | 94 Ų | 94 | 73.2 Ų | 73.2 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.8 | -29 | 179.2 | -69.3 | -52.8 | 0 | 0 | 0 | 114.3 | E100 D103 T306 K308 | E100-H310 IonicContact OE1-CE1 3.56Å; E100-H310 PolarHBondContact OE1-CE1 3.42Å; E100-H310 IonicContact OE2-CE1 3.8Å; D103-H310 IonicContact OD1-CD2 2.67Å; D103-H310 IonicContact OD1-NE2 3.29Å; D103-H310 PolarHBondContact OD1-NE2 2.83Å; D103-H310 IonicContact OD2-NE2 2.97Å; T306-H310 PolarHBondContact O-CD2 3.5Å; T306-H310 PolarHBondContact O-N 3.18Å; T306-H310 VanDerWaalsContact O-N 3.13Å; K308-H310 VanDerWaalsContact C-N 3.31Å; K308-H310 PolarHBondContact O-N 3.37Å |
| 311 | S | 56.4 | Low | 62.3 | Low | 88 Ų | 88 | 73.5 Ų | 73.5 | 62% | 0.615 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -96.5 | -24.5 | -175.4 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | I307 K308 S309 | I307-S311 WeakPolarHBondContact O-CB 3.33Å; I307-S311 PolarHBondContact O-N 3.44Å; I307-S311 VanDerWaalsContact O-N 3.13Å; I307-S311 PolarHBondContact O-OG 2.77Å; K308-S311 WeakPolarHBondContact CA-OG 3.5Å; K308-S311 PolarHBondContact O-N 2.95Å; K308-S311 VanDerWaalsContact O-N 3.14Å; K308-S311 PolarHBondContact O-OG 3.26Å; S309-S311 PolarHBondContact O-N 3.42Å |
| 312 | S | 49.5 | Very low | 60.6 | Low | 88 Ų | 88 | 71.6 Ų | 71.6 | 62% | 0.615 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -87.9 | -0 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | K308 P314 | K308-S312 VanDerWaalsContact O-CB 3.25Å; K308-S312 WeakPolarHBondContact O-CB 3.23Å; K308-S312 PolarHBondContact O-N 3.46Å; K308-S312 PolarHBondContact O-OG 2.93Å; K308-S312 VanDerWaalsContact O-OG 3.09Å; S312-P314 WeakPolarHBondContact O-CD 3.49Å |
| 313 | M | 43 | Very low | 59.1 | Low | 109 Ų | 109 | 73.3 Ų | 73.3 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | trans | -84 | 100.9 | 173.3 | -86.7 | -167.4 | 167.9 | 0 | 0 | 111.7 | E143 | E143-M313 HydrophobicContact CG-CE 4.38Š| ||
| 314 | P | 39 | Very low | 57.7 | Low | 81 Ų | 81 | 75.2 Ų | 75.2 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | trans | -63 | 157.9 | 152.2 | 29.5 | -33 | 0 | 0 | 0 | 108.7 | S312 N316 | S312-P314 WeakPolarHBondContact O-CD 3.49Å; P314-N316 PolarHBondContact O-N 2.9Å | ||
| 315 | P | 42 | Very low | 56.3 | Low | 121 Ų | 121 | 75.4 Ų | 75.4 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -58.6 | 100.1 | 179.8 | 23.3 | -32.4 | 0 | 0 | 0 | 110.2 | N317 | P315-N317 PolarHBondContact O-N 3Š|
| 316 | N | 45.3 | Very low | 55.1 | Low | 80 Ų | 80 | 74.8 Ų | 74.8 | 43% | 0.428 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 31.7 | 37.2 | 161.1 | -134.5 | -7.9 | 0 | 0 | 0 | 117.8 | Q23 P314 T318 | Q23-N316 HydrophobicContact CB-CB 4.24Å; Q23-N316 PolarHBondContact N-ND2 3.05Å; Q23-N316 PolarHBondContact OE1-O 2.96Å; P314-N316 PolarHBondContact O-N 2.9Å; N316-T318 VanDerWaalsContact C-N 3.32Å |
| 317 | N | 42.8 | Very low | 54.1 | Low | 94 Ų | 94 | 77.5 Ų | 77.5 | 50% | 0.503 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -88.3 | -4.5 | -176.6 | -130.4 | -0.4 | 0 | 0 | 0 | 112.2 | P315 N321 | P315-N317 PolarHBondContact O-N 3Å; N317-N321 PolarHBondContact O-ND2 2.99Å |
| 318 | T | 46.5 | Very low | 53.5 | Low | 61 Ų | 61 | 75.3 Ų | 75.3 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -77.2 | -37.2 | -178.7 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | P181 N316 N321 F322 | P181-T318 HydrophobicContact CG-CG2 4.38Å; N316-T318 VanDerWaalsContact C-N 3.32Å; T318-N321 PolarHBondContact O-N 2.82Å; T318-F322 HydrophobicContact CG2-CE2 4.44Å; T318-F322 WeakPolarHBondContact O-CD2 3.43Å; T318-F322 PolarHBondContact O-N 3.2Å |
| 319 | Y | 43.6 | Very low | 53 | Low | 57 Ų | 57 | 72.4 Ų | 72.4 | 22% | 0.224 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | 176.9 | -161.9 | -90.3 | 0 | 0 | 0 | 111.3 | I164 N321 F322 E323 | I164-Y319 HydrophobicContact CG2-CE2 4.44Å; I164-Y319 WeakPolarHBondContact CG2-OH 3.47Å; Y319-N321 PolarHBondContact O-N 3.39Å; Y319-F322 PolarHBondContact O-N 3.3Å; Y319-F322 VanDerWaalsContact O-N 3.16Å; Y319-E323 WeakPolarHBondContact O-CB 3.39Å; Y319-E323 PolarHBondContact O-N 3.33Å |
| 320 | V | 46.2 | Very low | 52.9 | Low | 24 Ų | 24 | 76.4 Ų | 76.4 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -51.3 | -40.2 | 170.3 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | Q23 R324 | Q23-V320 HydrophobicContact CG-CG2 4.48Å; V320-R324 HydrophobicContact CG1-CG 4.34Å; V320-R324 VanDerWaalsContact CG1-CZ 3.42Å; V320-R324 WeakPolarHBondContact O-CB 3.11Å; V320-R324 WeakPolarHBondContact O-CD 3.43Å; V320-R324 WeakPolarHBondContact O-CG 3.25Å; V320-R324 PolarHBondContact O-N 3.15Å |
| 321 | N | 47.3 | Very low | 53 | Low | 84 Ų | 84 | 78.3 Ų | 78.3 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77.1 | -30.1 | -176.7 | -73.6 | -25.8 | 0 | 0 | 0 | 113.3 | N317 T318 Y319 F325 | N317-N321 PolarHBondContact O-ND2 2.99Å; T318-N321 PolarHBondContact O-N 2.82Å; Y319-N321 PolarHBondContact O-N 3.39Å; N321-F325 WeakPolarHBondContact O-CB 3.48Å; N321-F325 PolarHBondContact O-N 2.84Å; N321-F325 VanDerWaalsContact O-N 3.15Å |
| 322 | F | 46.1 | Very low | 53.9 | Low | 26 Ų | 26 | 78 Ų | 78 | 11% | 0.114 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -78.2 | -42.6 | 174.1 | -82 | -73.7 | 0 | 0 | 0 | 112.3 | I177 P181 K222 T318 Y319 R324 F325 S326 | I177-F322 HydrophobicContact CG2-CD1 3.44Å; I177-F322 VanDerWaalsContact CG2-CD1 3.44Å; I177-F322 HydrophobicContact CG2-CE1 3.74Å; I177-F322 HydrophobicContact CG2-CG 4.36Å; P181-F322 HydrophobicContact CG-CE2 3.56Å; P181-F322 HydrophobicContact CG-CZ 3.9Å; K222-F322 VanDerWaalsContact NZ-CD2 3.34Å; T318-F322 HydrophobicContact CG2-CE2 4.44Å; T318-F322 WeakPolarHBondContact O-CD2 3.43Å; T318-F322 PolarHBondContact O-N 3.2Å; Y319-F322 PolarHBondContact O-N 3.3Å; Y319-F322 VanDerWaalsContact O-N 3.16Å; F322-R324 VanDerWaalsContact C-N 3.28Å; F322-R324 PolarHBondContact O-N 2.84Å; F322-F325 WeakPolarHBondContact O-CB 3.16Å; F322-F325 PolarHBondContact O-N 2.87Å; F322-S326 PolarHBondContact O-N 3.2Å |
| 323 | E | 51.9 | Low | 54.9 | Low | 41 Ų | 41 | 76.1 Ų | 76.1 | 19% | 0.192 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 174.6 | -160.5 | -175.9 | 175 | 0 | 0 | 110.6 | Y319 F325 S326 Q327 | Y319-E323 WeakPolarHBondContact O-CB 3.39Å; Y319-E323 PolarHBondContact O-N 3.33Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.47Å; E323-S326 PolarHBondContact O-N 3.36Å; E323-Q327 VanDerWaalsContact O-CB 3.29Å; E323-Q327 WeakPolarHBondContact O-CB 3.32Å; E323-Q327 WeakPolarHBondContact O-CG 2.93Å; E323-Q327 PolarHBondContact O-N 2.82Å |
| 324 | R | 55.5 | Low | 56.5 | Low | 121 Ų | 121 | 73.9 Ų | 73.9 | 46% | 0.457 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 169.6 | -82.6 | 172.8 | -173.1 | 179.9 | 7.6 | 112.5 | V320 F322 V328 | V320-R324 HydrophobicContact CG1-CG 4.34Å; V320-R324 VanDerWaalsContact CG1-CZ 3.42Å; V320-R324 WeakPolarHBondContact O-CB 3.11Å; V320-R324 WeakPolarHBondContact O-CD 3.43Å; V320-R324 WeakPolarHBondContact O-CG 3.25Å; V320-R324 PolarHBondContact O-N 3.15Å; F322-R324 VanDerWaalsContact C-N 3.28Å; F322-R324 PolarHBondContact O-N 2.84Å; R324-V328 VanDerWaalsContact O-CB 3.25Å; R324-V328 WeakPolarHBondContact O-CB 3.13Å; R324-V328 WeakPolarHBondContact O-CG2 3.33Å; R324-V328 PolarHBondContact O-N 3.03Å |
| 325 | F | 55.6 | Low | 58.3 | Low | 109 Ų | 109 | 72.6 Ų | 72.6 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 180 | -174.1 | -104.4 | 0 | 0 | 0 | 111.3 | I177 N321 F322 E323 V328 L329 | I177-F325 HydrophobicContact CD1-CD1 4.23Å; I177-F325 HydrophobicContact CD1-CE1 4.32Å; N321-F325 WeakPolarHBondContact O-CB 3.48Å; N321-F325 PolarHBondContact O-N 2.84Å; N321-F325 VanDerWaalsContact O-N 3.15Å; F322-F325 WeakPolarHBondContact O-CB 3.16Å; F322-F325 PolarHBondContact O-N 2.87Å; E323-F325 VanDerWaalsContact C-N 3.33Å; E323-F325 PolarHBondContact O-N 3.47Å; F325-V328 PolarHBondContact O-N 3.08Å; F325-L329 HydrophobicContact CD1-CD1 3.83Å; F325-L329 HydrophobicContact CD1-CG 4.43Å; F325-L329 HydrophobicContact CE1-CD1 3.41Å; F325-L329 VanDerWaalsContact CE1-CD1 3.41Å; F325-L329 HydrophobicContact CE1-CG 4.15Å; F325-L329 HydrophobicContact CZ-CD1 3.92Å; F325-L329 HydrophobicContact CZ-CD2 4.46Å; F325-L329 HydrophobicContact CZ-CG 4.27Å; F325-L329 WeakPolarHBondContact O-CG 3.33Å; F325-L329 PolarHBondContact O-N 2.51Å |
| 326 | S | 58.4 | Low | 60.2 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.4 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | F322 E323 V328 L329 E330 | F322-S326 PolarHBondContact O-N 3.2Å; E323-S326 PolarHBondContact O-N 3.36Å; S326-V328 PolarHBondContact O-N 2.81Å; S326-L329 PolarHBondContact O-N 3.43Å; S326-E330 PolarHBondContact O-N 2.86Å |
| 327 | Q | 62.2 | Low | 61.9 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 175.8 | -79.1 | 171 | 0.7 | 0 | 0 | 111.9 | E323 L329 E330 E331 | E323-Q327 VanDerWaalsContact O-CB 3.29Å; E323-Q327 WeakPolarHBondContact O-CB 3.32Å; E323-Q327 WeakPolarHBondContact O-CG 2.93Å; E323-Q327 PolarHBondContact O-N 2.82Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 3.4Å; Q327-E330 PolarHBondContact O-N 2.83Å; Q327-E331 VanDerWaalsContact O-CB 3.32Å; Q327-E331 WeakPolarHBondContact O-CB 3.28Å; Q327-E331 VanDerWaalsContact O-CG 3.28Å; Q327-E331 WeakPolarHBondContact O-CG 3.44Å; Q327-E331 PolarHBondContact O-N 3.33Å |
| 328 | V | 69.3 | Low | 63.8 | Low | 69 Ų | 69 | 70.8 Ų | 70.8 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.7 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | R324 F325 S326 E331 I332 | R324-V328 VanDerWaalsContact O-CB 3.25Å; R324-V328 WeakPolarHBondContact O-CB 3.13Å; R324-V328 WeakPolarHBondContact O-CG2 3.33Å; R324-V328 PolarHBondContact O-N 3.03Å; F325-V328 PolarHBondContact O-N 3.08Å; S326-V328 PolarHBondContact O-N 2.81Å; V328-E331 PolarHBondContact O-N 2.96Å; V328-I332 HydrophobicContact CG1-CD1 3.66Å; V328-I332 HydrophobicContact CG1-CG1 4.31Å; V328-I332 WeakPolarHBondContact O-CB 3.32Å; V328-I332 WeakPolarHBondContact O-CD1 3.48Å; V328-I332 WeakPolarHBondContact O-CG1 3.47Å; V328-I332 PolarHBondContact O-N 2.99Å |
| 329 | L | 69.1 | Low | 65.5 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175 | -75.2 | 176.2 | 0 | 0 | 0 | 112.3 | F325 S326 Q327 I332 A333 | F325-L329 HydrophobicContact CD1-CD1 3.83Å; F325-L329 HydrophobicContact CD1-CG 4.43Å; F325-L329 HydrophobicContact CE1-CD1 3.41Å; F325-L329 VanDerWaalsContact CE1-CD1 3.41Å; F325-L329 HydrophobicContact CE1-CG 4.15Å; F325-L329 HydrophobicContact CZ-CD1 3.92Å; F325-L329 HydrophobicContact CZ-CD2 4.46Å; F325-L329 HydrophobicContact CZ-CG 4.27Å; F325-L329 WeakPolarHBondContact O-CG 3.33Å; F325-L329 PolarHBondContact O-N 2.51Å; S326-L329 PolarHBondContact O-N 3.43Å; Q327-L329 VanDerWaalsContact C-N 3.32Å; Q327-L329 PolarHBondContact O-N 3.4Å; L329-I332 PolarHBondContact O-N 2.86Å; L329-A333 WeakPolarHBondContact O-CB 3.46Å; L329-A333 PolarHBondContact O-N 2.66Å |
| 330 | E | 69.2 | Low | 67.4 | Low | 111 Ų | 111 | 76.8 Ų | 76.8 | 52% | 0.519 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 174.1 | -75.4 | 176.7 | -170.5 | 0 | 0 | 111.8 | S326 Q327 A333 A334 | S326-E330 PolarHBondContact O-N 2.86Å; Q327-E330 PolarHBondContact O-N 2.83Å; E330-A333 PolarHBondContact O-N 2.83Å; E330-A334 WeakPolarHBondContact O-CB 3.3Å; E330-A334 PolarHBondContact O-N 3.38Å |
| 331 | E | 75 | Confident | 69.2 | Low | 134 Ų | 134 | 80.2 Ų | 80.2 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.7 | -38.9 | 175.5 | -76.5 | 179 | -177 | 0 | 0 | 111.8 | Q327 V328 A335 | Q327-E331 VanDerWaalsContact O-CB 3.32Å; Q327-E331 WeakPolarHBondContact O-CB 3.28Å; Q327-E331 VanDerWaalsContact O-CG 3.28Å; Q327-E331 WeakPolarHBondContact O-CG 3.44Å; Q327-E331 PolarHBondContact O-N 3.33Å; V328-E331 PolarHBondContact O-N 2.96Å; E331-A335 WeakPolarHBondContact O-CB 3.46Å; E331-A335 PolarHBondContact O-N 2.72Å |
| 332 | I | 73.9 | Confident | 70.9 | Confident | 81 Ų | 81 | 81.6 Ų | 81.6 | 42% | 0.415 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 173.9 | -72.7 | 165.7 | 0 | 0 | 0 | 110.2 | V328 L329 A334 A335 E336 | V328-I332 HydrophobicContact CG1-CD1 3.66Å; V328-I332 HydrophobicContact CG1-CG1 4.31Å; V328-I332 WeakPolarHBondContact O-CB 3.32Å; V328-I332 WeakPolarHBondContact O-CD1 3.48Å; V328-I332 WeakPolarHBondContact O-CG1 3.47Å; V328-I332 PolarHBondContact O-N 2.99Å; L329-I332 PolarHBondContact O-N 2.86Å; I332-A334 VanDerWaalsContact C-N 3.34Å; I332-A334 PolarHBondContact O-N 3.4Å; I332-A335 PolarHBondContact O-N 2.9Å; I332-E336 HydrophobicContact CG2-CG 4.43Å; I332-E336 WeakPolarHBondContact O-CG 3.33Å; I332-E336 PolarHBondContact O-N 2.76Å |
| 333 | A | 71.8 | Confident | 72.7 | Confident | 49 Ų | 49 | 85 Ų | 85 | 41% | 0.405 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L329 E330 E336 E337 | L329-A333 WeakPolarHBondContact O-CB 3.46Å; L329-A333 PolarHBondContact O-N 2.66Å; E330-A333 PolarHBondContact O-N 2.83Å; A333-E336 PolarHBondContact O-N 3.18Å; A333-E337 PolarHBondContact O-N 2.88Å |
| 334 | A | 76.3 | Confident | 74.5 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E330 I332 E337 G338 | E330-A334 WeakPolarHBondContact O-CB 3.3Å; E330-A334 PolarHBondContact O-N 3.38Å; I332-A334 VanDerWaalsContact C-N 3.34Å; I332-A334 PolarHBondContact O-N 3.4Å; A334-E337 PolarHBondContact O-N 2.79Å; A334-G338 PolarHBondContact O-N 2.88Å |
| 335 | A | 77.2 | Confident | 75.9 | Confident | 54 Ų | 54 | 87.9 Ų | 87.9 | 45% | 0.446 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E331 I332 E337 G338 L339 | E331-A335 WeakPolarHBondContact O-CB 3.46Å; E331-A335 PolarHBondContact O-N 2.72Å; I332-A335 PolarHBondContact O-N 2.9Å; A335-E337 VanDerWaalsContact C-N 3.33Å; A335-G338 PolarHBondContact O-N 2.94Å; A335-L339 WeakPolarHBondContact O-CB 3.35Å; A335-L339 PolarHBondContact O-N 3.29Å |
| 336 | E | 80.9 | Confident | 77.6 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 174 | -75.6 | -177.2 | 177.7 | 0 | 0 | 112 | I332 A333 L339 R340 | I332-E336 HydrophobicContact CG2-CG 4.43Å; I332-E336 WeakPolarHBondContact O-CG 3.33Å; I332-E336 PolarHBondContact O-N 2.76Å; A333-E336 PolarHBondContact O-N 3.18Å; E336-L339 PolarHBondContact O-N 3.39Å; E336-R340 WeakPolarHBondContact O-CG 3.36Å; E336-R340 PolarHBondContact O-N 3.03Å; E336-R340 VanDerWaalsContact O-N 3.12Å |
| 337 | E | 81.4 | Confident | 79 | Confident | 120 Ų | 120 | 94.4 Ų | 94.4 | 56% | 0.561 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -45.6 | 173.8 | -167.6 | 164.9 | -154.1 | 0 | 0 | 111.5 | A333 A334 A335 L339 R340 D341 | A333-E337 PolarHBondContact O-N 2.88Å; A334-E337 PolarHBondContact O-N 2.79Å; A335-E337 VanDerWaalsContact C-N 3.33Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.08Å; E337-R340 WeakPolarHBondContact O-CB 3.49Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 VanDerWaalsContact O-N 3.1Å; E337-D341 PolarHBondContact O-N 2.97Å |
| 338 | G | 82.3 | Confident | 80.2 | Confident | 38 Ų | 38 | 93.6 Ų | 93.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A334 A335 D341 L342 | A334-G338 PolarHBondContact O-N 2.88Å; A335-G338 PolarHBondContact O-N 2.94Å; G338-D341 PolarHBondContact O-N 3.39Å; G338-L342 WeakPolarHBondContact O-CB 3.49Å; G338-L342 PolarHBondContact O-N 2.77Å |
| 339 | L | 82 | Confident | 81 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 172.9 | -103.3 | 140.1 | 0 | 0 | 0 | 111.9 | A335 E336 E337 L342 E343 | A335-L339 WeakPolarHBondContact O-CB 3.35Å; A335-L339 PolarHBondContact O-N 3.29Å; E336-L339 PolarHBondContact O-N 3.39Å; E337-L339 VanDerWaalsContact C-N 3.29Å; E337-L339 PolarHBondContact O-N 3.08Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-E343 PolarHBondContact O-N 3.43Å |
| 340 | R | 83.5 | Confident | 82 | Confident | 141 Ų | 141 | 96 Ų | 96 | 53% | 0.532 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 174.4 | -74 | -176.4 | -79.4 | -98.1 | 1.3 | 111.6 | E336 E337 E343 H344 | E336-R340 WeakPolarHBondContact O-CG 3.36Å; E336-R340 PolarHBondContact O-N 3.03Å; E336-R340 VanDerWaalsContact O-N 3.12Å; E337-R340 WeakPolarHBondContact O-CB 3.49Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 VanDerWaalsContact O-N 3.1Å; R340-E343 PolarHBondContact O-N 3.26Å; R340-H344 PolarHBondContact O-N 3.44Å |
| 341 | D | 84.1 | Confident | 83 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 176 | -72.2 | -15.6 | 0 | 0 | 0 | 112 | E337 G338 H344 N345 | E337-D341 PolarHBondContact O-N 2.97Å; G338-D341 PolarHBondContact O-N 3.39Å; D341-H344 PolarHBondContact O-N 2.84Å; D341-N345 WeakPolarHBondContact O-CB 3.03Å; D341-N345 VanDerWaalsContact O-CG 3.27Å; D341-N345 PolarHBondContact O-N 3.16Å; D341-N345 PolarHBondContact O-ND2 2.85Å |
| 342 | L | 82.9 | Confident | 83.7 | Confident | 114 Ų | 114 | 95.3 Ų | 95.3 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | -165.5 | 74.8 | 0 | 0 | 0 | 111.6 | G338 L339 H344 N345 Q346 | G338-L342 WeakPolarHBondContact O-CB 3.49Å; G338-L342 PolarHBondContact O-N 2.77Å; L339-L342 PolarHBondContact O-N 2.99Å; L342-H344 VanDerWaalsContact C-N 3.3Å; L342-H344 PolarHBondContact O-N 3.24Å; L342-N345 PolarHBondContact O-N 3.05Å; L342-Q346 WeakPolarHBondContact O-CB 3.13Å; L342-Q346 PolarHBondContact O-N 3.29Å |
| 343 | E | 85.4 | Confident | 84.5 | Confident | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 173.7 | -78.1 | -173.5 | -179.8 | 0 | 0 | 112.4 | L339 R340 R347 | L339-E343 PolarHBondContact O-N 3.43Å; R340-E343 PolarHBondContact O-N 3.26Å; E343-R347 PolarHBondContact O-N 2.9Å; E343-R347 VanDerWaalsContact O-N 3.1Å; E343-R347 IonicContact OE2-NH2 3.47Å |
| 344 | H | 87.7 | Confident | 85.3 | Confident | 123 Ų | 123 | 95.5 Ų | 95.5 | 57% | 0.569 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -47.2 | 175.5 | -173.9 | 68.5 | 0 | 0 | 0 | 111.3 | R340 D341 L342 Q346 R347 S348 | R340-H344 PolarHBondContact O-N 3.44Å; D341-H344 PolarHBondContact O-N 2.84Å; L342-H344 VanDerWaalsContact C-N 3.3Å; L342-H344 PolarHBondContact O-N 3.24Å; H344-Q346 VanDerWaalsContact C-N 3.33Å; H344-Q346 PolarHBondContact O-N 2.88Å; H344-R347 PolarHBondContact O-N 3.17Å; H344-S348 PolarHBondContact O-N 3.16Å |
| 345 | N | 86.2 | Confident | 86 | Confident | 98 Ų | 98 | 95 Ų | 95 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177 | -71.9 | -30.7 | 0 | 0 | 0 | 112.3 | D341 L342 S348 C349 | D341-N345 WeakPolarHBondContact O-CB 3.03Å; D341-N345 VanDerWaalsContact O-CG 3.27Å; D341-N345 PolarHBondContact O-N 3.16Å; D341-N345 PolarHBondContact O-ND2 2.85Å; L342-N345 PolarHBondContact O-N 3.05Å; N345-S348 PolarHBondContact O-N 3.23Å; N345-C349 VanDerWaalsContact O-CB 3.27Å; N345-C349 WeakPolarHBondContact O-CB 3.45Å; N345-C349 PolarHBondContact O-N 2.77Å |
| 346 | Q | 90.1 | Very high | 86.7 | Confident | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 174.5 | -175.3 | -179.6 | 8.7 | 0 | 0 | 111.2 | L342 H344 C349 Q350 | L342-Q346 WeakPolarHBondContact O-CB 3.13Å; L342-Q346 PolarHBondContact O-N 3.29Å; H344-Q346 VanDerWaalsContact C-N 3.33Å; H344-Q346 PolarHBondContact O-N 2.88Å; Q346-C349 PolarHBondContact O-N 2.71Å; Q346-Q350 WeakPolarHBondContact O-CG 3.49Å; Q346-Q350 PolarHBondContact O-N 3.3Å |
| 347 | R | 88.4 | Confident | 87.1 | Confident | 142 Ų | 142 | 97.9 Ų | 97.9 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 174.8 | -84.9 | -177.3 | -101.9 | -179.2 | -9.1 | 111.9 | E343 H344 C349 Q350 E351 | E343-R347 PolarHBondContact O-N 2.9Å; E343-R347 VanDerWaalsContact O-N 3.1Å; E343-R347 IonicContact OE2-NH2 3.47Å; H344-R347 PolarHBondContact O-N 3.17Å; R347-C349 VanDerWaalsContact C-N 3.32Å; R347-C349 PolarHBondContact O-N 3Å; R347-Q350 WeakPolarHBondContact O-CB 3.43Å; R347-Q350 PolarHBondContact O-N 3Å; R347-Q350 VanDerWaalsContact O-N 3.17Å; R347-E351 WeakPolarHBondContact O-CG 3.47Å; R347-E351 PolarHBondContact O-N 3.19Å |
| 348 | S | 87.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 95.6 Ų | 95.6 | 35% | 0.35 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | H344 N345 Q350 E351 D352 | H344-S348 PolarHBondContact O-N 3.16Å; N345-S348 PolarHBondContact O-N 3.23Å; S348-Q350 VanDerWaalsContact C-N 3.34Å; S348-Q350 PolarHBondContact O-N 3.39Å; S348-E351 PolarHBondContact O-N 2.79Å; S348-D352 PolarHBondContact O-N 2.88Å |
| 349 | C | 86.1 | Confident | 88.1 | Confident | 73 Ų | 73 | 98.1 Ų | 98.1 | 49% | 0.493 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 178.5 | -171.3 | 0 | 0 | 0 | 0 | 112 | N345 Q346 R347 D352 V353 | N345-C349 VanDerWaalsContact O-CB 3.27Å; N345-C349 WeakPolarHBondContact O-CB 3.45Å; N345-C349 PolarHBondContact O-N 2.77Å; Q346-C349 PolarHBondContact O-N 2.71Å; R347-C349 VanDerWaalsContact C-N 3.32Å; R347-C349 PolarHBondContact O-N 3Å; C349-D352 PolarHBondContact O-N 3.38Å; C349-V353 WeakPolarHBondContact O-CB 3.39Å; C349-V353 VanDerWaalsContact O-CG2 3.25Å; C349-V353 WeakPolarHBondContact O-CG2 3.26Å; C349-V353 PolarHBondContact O-N 3.38Å |
| 350 | Q | 89.2 | Confident | 88.6 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 173.5 | -77 | 176.9 | -13.2 | 0 | 0 | 112.2 | Q346 R347 S348 V353 A354 | Q346-Q350 WeakPolarHBondContact O-CG 3.49Å; Q346-Q350 PolarHBondContact O-N 3.3Å; R347-Q350 WeakPolarHBondContact O-CB 3.43Å; R347-Q350 PolarHBondContact O-N 3Å; R347-Q350 VanDerWaalsContact O-N 3.17Å; S348-Q350 VanDerWaalsContact C-N 3.34Å; S348-Q350 PolarHBondContact O-N 3.39Å; Q350-V353 PolarHBondContact O-N 3.13Å; Q350-A354 WeakPolarHBondContact O-CB 2.98Å; Q350-A354 PolarHBondContact O-N 3.41Å |
| 351 | E | 90.4 | Very high | 89 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 175 | -70.8 | 174.2 | -174.8 | 0 | 0 | 111.4 | R347 S348 V353 A354 A355 | R347-E351 WeakPolarHBondContact O-CG 3.47Å; R347-E351 PolarHBondContact O-N 3.19Å; S348-E351 PolarHBondContact O-N 2.79Å; E351-V353 PolarHBondContact O-N 2.91Å; E351-A354 PolarHBondContact O-N 3.31Å; E351-A355 WeakPolarHBondContact O-CB 3.32Å; E351-A355 PolarHBondContact O-N 2.8Å |
| 352 | D | 89.8 | Confident | 89.4 | Confident | 95 Ų | 95 | 102 Ų | 102 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 176.6 | -70.9 | -26.3 | 0 | 0 | 0 | 111.9 | S348 C349 A355 L356 | S348-D352 PolarHBondContact O-N 2.88Å; C349-D352 PolarHBondContact O-N 3.38Å; D352-A355 PolarHBondContact O-N 2.86Å; D352-L356 WeakPolarHBondContact O-CG 3.13Å; D352-L356 PolarHBondContact O-N 3.26Å |
| 353 | V | 90.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 102.2 Ų | 102.2 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | C349 Q350 E351 L356 L357 | C349-V353 WeakPolarHBondContact O-CB 3.39Å; C349-V353 VanDerWaalsContact O-CG2 3.25Å; C349-V353 WeakPolarHBondContact O-CG2 3.26Å; C349-V353 PolarHBondContact O-N 3.38Å; Q350-V353 PolarHBondContact O-N 3.13Å; E351-V353 PolarHBondContact O-N 2.91Å; V353-L356 PolarHBondContact O-N 2.77Å; V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 WeakPolarHBondContact O-CG 3.21Å; V353-L357 PolarHBondContact O-N 3.32Å |
| 354 | A | 89.9 | Confident | 90 | Very high | 60 Ų | 60 | 101.1 Ų | 101.1 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q350 E351 L357 S358 | Q350-A354 WeakPolarHBondContact O-CB 2.98Å; Q350-A354 PolarHBondContact O-N 3.41Å; E351-A354 PolarHBondContact O-N 3.31Å; A354-L357 PolarHBondContact O-N 3Å; A354-S358 PolarHBondContact O-N 3.37Å |
| 355 | A | 89.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 96.6 Ų | 96.6 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E351 D352 L357 S358 I359 | E351-A355 WeakPolarHBondContact O-CB 3.32Å; E351-A355 PolarHBondContact O-N 2.8Å; D352-A355 PolarHBondContact O-N 2.86Å; A355-L357 PolarHBondContact O-N 3.22Å; A355-S358 PolarHBondContact O-N 3.44Å; A355-I359 WeakPolarHBondContact O-CG1 3.33Å; A355-I359 PolarHBondContact O-N 2.79Å |
| 356 | L | 91.4 | Very high | 90.4 | Very high | 117 Ų | 117 | 97.9 Ų | 97.9 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 177 | -74.9 | 173.3 | 0 | 0 | 0 | 112.5 | D352 V353 I359 Y360 | D352-L356 WeakPolarHBondContact O-CG 3.13Å; D352-L356 PolarHBondContact O-N 3.26Å; V353-L356 PolarHBondContact O-N 2.77Å; L356-I359 PolarHBondContact O-N 3.49Å; L356-Y360 WeakPolarHBondContact O-CB 3.05Å; L356-Y360 PolarHBondContact O-N 3.1Å |
| 357 | L | 90.4 | Very high | 90.3 | Very high | 96 Ų | 96 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175 | -75.6 | 171 | 0 | 0 | 0 | 111.3 | V353 A354 A355 I359 Y360 E361 | V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 WeakPolarHBondContact O-CG 3.21Å; V353-L357 PolarHBondContact O-N 3.32Å; A354-L357 PolarHBondContact O-N 3Å; A355-L357 PolarHBondContact O-N 3.22Å; L357-I359 PolarHBondContact O-N 2.93Å; L357-Y360 PolarHBondContact O-N 3.37Å; L357-E361 WeakPolarHBondContact O-CG 3.26Å; L357-E361 PolarHBondContact O-N 3.22Å |
| 358 | S | 92.8 | Very high | 90.4 | Very high | 72 Ų | 72 | 97.5 Ų | 97.5 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 177 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | A354 A355 Y360 E361 E362 | A354-S358 PolarHBondContact O-N 3.37Å; A355-S358 PolarHBondContact O-N 3.44Å; S358-Y360 VanDerWaalsContact C-N 3.33Å; S358-Y360 PolarHBondContact O-N 2.92Å; S358-E361 PolarHBondContact O-N 2.88Å; S358-E362 WeakPolarHBondContact O-CB 3.31Å; S358-E362 PolarHBondContact O-N 3Å |
| 359 | I | 92.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 101.5 Ų | 101.5 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176 | -67.6 | 165.7 | 0 | 0 | 0 | 110.7 | A355 L356 L357 E362 K363 | A355-I359 WeakPolarHBondContact O-CG1 3.33Å; A355-I359 PolarHBondContact O-N 2.79Å; L356-I359 PolarHBondContact O-N 3.49Å; L357-I359 PolarHBondContact O-N 2.93Å; I359-E362 PolarHBondContact O-N 3.16Å; I359-K363 WeakPolarHBondContact O-CB 3.39Å; I359-K363 WeakPolarHBondContact O-CG 2.88Å; I359-K363 PolarHBondContact O-N 2.97Å |
| 360 | Y | 91.1 | Very high | 90.8 | Very high | 147 Ų | 147 | 102 Ų | 102 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -46.9 | 178.9 | -179.4 | -89.7 | 0 | 0 | 0 | 111.5 | L356 L357 S358 E362 K363 E364 | L356-Y360 WeakPolarHBondContact O-CB 3.05Å; L356-Y360 PolarHBondContact O-N 3.1Å; L357-Y360 PolarHBondContact O-N 3.37Å; S358-Y360 VanDerWaalsContact C-N 3.33Å; S358-Y360 PolarHBondContact O-N 2.92Å; Y360-E362 PolarHBondContact O-N 3.43Å; Y360-K363 PolarHBondContact O-N 2.92Å; Y360-E364 HydrophobicContact CE1-CB 4.44Å; Y360-E364 WeakPolarHBondContact CE1-OE2 3.44Å; Y360-E364 WeakPolarHBondContact O-CB 3.46Å; Y360-E364 PolarHBondContact O-N 3.26Å |
| 361 | E | 92.1 | Very high | 90.8 | Very high | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -42.3 | 178.1 | -73.5 | 177.9 | 172.8 | 0 | 0 | 111.9 | L357 S358 E364 G365 | L357-E361 WeakPolarHBondContact O-CG 3.26Å; L357-E361 PolarHBondContact O-N 3.22Å; S358-E361 PolarHBondContact O-N 2.88Å; E361-E364 PolarHBondContact O-N 2.99Å; E361-G365 PolarHBondContact O-N 3.47Å |
| 362 | E | 92.7 | Very high | 90.8 | Very high | 143 Ų | 143 | 101.2 Ų | 101.2 | 67% | 0.668 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -45.8 | 175.2 | -172 | -174.1 | 173.4 | 0 | 0 | 111.3 | S358 I359 Y360 G365 W366 | S358-E362 WeakPolarHBondContact O-CB 3.31Å; S358-E362 PolarHBondContact O-N 3Å; I359-E362 PolarHBondContact O-N 3.16Å; Y360-E362 PolarHBondContact O-N 3.43Å; E362-G365 PolarHBondContact O-N 3.19Å; E362-W366 PolarHBondContact O-N 3.28Å |
| 363 | K | 90.3 | Very high | 90.9 | Very high | 119 Ų | 119 | 99.7 Ų | 99.7 | 52% | 0.517 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.6 | -74 | -66.2 | -178.6 | -168.7 | 0 | 112.4 | I359 Y360 G365 W366 Y367 | I359-K363 WeakPolarHBondContact O-CB 3.39Å; I359-K363 WeakPolarHBondContact O-CG 2.88Å; I359-K363 PolarHBondContact O-N 2.97Å; Y360-K363 PolarHBondContact O-N 2.92Å; K363-G365 VanDerWaalsContact C-N 3.32Å; K363-W366 PolarHBondContact O-N 3.46Å; K363-Y367 WeakPolarHBondContact O-CD2 3.37Å; K363-Y367 PolarHBondContact O-N 2.86Å |
| 364 | E | 91.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 35% | 0.346 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.2 | -166.2 | -170.3 | 159.2 | 0 | 0 | 111 | Y360 E361 Y367 K368 | Y360-E364 HydrophobicContact CE1-CB 4.44Å; Y360-E364 WeakPolarHBondContact CE1-OE2 3.44Å; Y360-E364 WeakPolarHBondContact O-CB 3.46Å; Y360-E364 PolarHBondContact O-N 3.26Å; E361-E364 PolarHBondContact O-N 2.99Å; E364-Y367 PolarHBondContact O-N 2.73Å; E364-K368 WeakPolarHBondContact O-CG 3.45Å; E364-K368 PolarHBondContact O-N 2.83Å; E364-K368 WeakPolarHBondContact OE1-CE 3.39Å; E364-K368 IonicContact OE1-NZ 3.1Å; E364-K368 PolarHBondContact OE1-NZ 2.84Å |
| 365 | G | 89.9 | Confident | 90.9 | Very high | 29 Ų | 29 | 99.3 Ų | 99.3 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -50.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | E361 E362 K363 Y367 K368 E369 | E361-G365 PolarHBondContact O-N 3.47Å; E362-G365 PolarHBondContact O-N 3.19Å; K363-G365 VanDerWaalsContact C-N 3.32Å; G365-Y367 PolarHBondContact O-N 2.89Å; G365-K368 WeakPolarHBondContact O-CB 3.47Å; G365-K368 PolarHBondContact O-N 3.3Å; G365-K368 VanDerWaalsContact O-N 3.12Å; G365-E369 PolarHBondContact O-N 3.35Å |
| 366 | W | 93.1 | Very high | 91 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 177.8 | -174.4 | 82.2 | 0 | 0 | 0 | 112.5 | E362 K363 K368 E369 E370 | E362-W366 PolarHBondContact O-N 3.28Å; K363-W366 PolarHBondContact O-N 3.46Å; W366-K368 VanDerWaalsContact C-N 3.31Å; W366-K368 PolarHBondContact O-N 2.95Å; W366-E369 PolarHBondContact O-N 3.44Å; W366-E370 HydrophobicContact CH2-CB 4.46Å; W366-E370 HydrophobicContact CH2-CG 4.06Å; W366-E370 HydrophobicContact CZ2-CG 4.39Å; W366-E370 WeakPolarHBondContact CZ2-OE2 3.49Å; W366-E370 HydrophobicContact CZ3-CB 4.43Å; W366-E370 HydrophobicContact CZ3-CG 4.38Å; W366-E370 WeakPolarHBondContact O-CB 3.35Å; W366-E370 PolarHBondContact O-N 2.9Å |
| 367 | Y | 87.7 | Confident | 91.1 | Very high | 137 Ų | 137 | 98.2 Ų | 98.2 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 177.2 | -80.9 | -63.3 | 0 | 0 | 0 | 113 | K363 E364 G365 N371 | K363-Y367 WeakPolarHBondContact O-CD2 3.37Å; K363-Y367 PolarHBondContact O-N 2.86Å; E364-Y367 PolarHBondContact O-N 2.73Å; G365-Y367 PolarHBondContact O-N 2.89Å; Y367-N371 WeakPolarHBondContact O-CB 3.47Å; Y367-N371 PolarHBondContact O-N 3.29Å; Y367-N371 PolarHBondContact O-ND2 3.28Å |
| 368 | K | 90.3 | Very high | 91.2 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.2 | -77.5 | 172.7 | -176.5 | 163.1 | 0 | 111 | E364 G365 W366 N371 Q372 | E364-K368 WeakPolarHBondContact O-CG 3.45Å; E364-K368 PolarHBondContact O-N 2.83Å; E364-K368 WeakPolarHBondContact OE1-CE 3.39Å; E364-K368 IonicContact OE1-NZ 3.1Å; E364-K368 PolarHBondContact OE1-NZ 2.84Å; G365-K368 WeakPolarHBondContact O-CB 3.47Å; G365-K368 PolarHBondContact O-N 3.3Å; G365-K368 VanDerWaalsContact O-N 3.12Å; W366-K368 VanDerWaalsContact C-N 3.31Å; W366-K368 PolarHBondContact O-N 2.95Å; K368-N371 PolarHBondContact O-N 3.27Å; K368-Q372 WeakPolarHBondContact O-CB 3.5Å; K368-Q372 VanDerWaalsContact O-CG 3.27Å; K368-Q372 WeakPolarHBondContact O-CG 3.28Å; K368-Q372 PolarHBondContact O-N 2.82Å |
| 369 | E | 91.6 | Very high | 91.2 | Very high | 135 Ų | 135 | 98.1 Ų | 98.1 | 63% | 0.631 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -46.9 | 177.5 | -69.6 | 180 | 178.2 | 0 | 0 | 111.8 | G365 W366 N371 Q372 S373 | G365-E369 PolarHBondContact O-N 3.35Å; W366-E369 PolarHBondContact O-N 3.44Å; E369-N371 PolarHBondContact O-N 3.13Å; E369-Q372 PolarHBondContact O-N 3.39Å; E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 3.33Å |
| 370 | E | 90.1 | Very high | 91.2 | Very high | 82 Ų | 82 | 99.2 Ų | 99.2 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 177.3 | -166.7 | 86.6 | -166.3 | 0 | 0 | 110.8 | W366 Q372 S373 I374 | W366-E370 HydrophobicContact CH2-CB 4.46Å; W366-E370 HydrophobicContact CH2-CG 4.06Å; W366-E370 HydrophobicContact CZ2-CG 4.39Å; W366-E370 WeakPolarHBondContact CZ2-OE2 3.49Å; W366-E370 HydrophobicContact CZ3-CB 4.43Å; W366-E370 HydrophobicContact CZ3-CG 4.38Å; W366-E370 WeakPolarHBondContact O-CB 3.35Å; W366-E370 PolarHBondContact O-N 2.9Å; E370-Q372 PolarHBondContact O-N 3.27Å; E370-S373 WeakPolarHBondContact O-CB 3.02Å; E370-S373 PolarHBondContact O-N 2.8Å; E370-I374 HydrophobicContact CG-CD1 4.13Å; E370-I374 VanDerWaalsContact O-CG1 3.29Å; E370-I374 WeakPolarHBondContact O-CG1 3.3Å; E370-I374 PolarHBondContact O-N 3.26Å |
| 371 | N | 88.3 | Confident | 91.3 | Very high | 97 Ų | 97 | 97.6 Ų | 97.6 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 177.7 | -79.8 | -36 | 0 | 0 | 0 | 112.6 | Y367 K368 E369 S373 I374 A375 | Y367-N371 WeakPolarHBondContact O-CB 3.47Å; Y367-N371 PolarHBondContact O-N 3.29Å; Y367-N371 PolarHBondContact O-ND2 3.28Å; K368-N371 PolarHBondContact O-N 3.27Å; E369-N371 PolarHBondContact O-N 3.13Å; N371-S373 VanDerWaalsContact C-N 3.35Å; N371-I374 PolarHBondContact O-N 3Å; N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.39Å; N371-A375 PolarHBondContact O-N 3.22Å |
| 372 | Q | 90.9 | Very high | 91.4 | Very high | 139 Ų | 139 | 98.7 Ų | 98.7 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 174.9 | -75.3 | 175.2 | 10.3 | 0 | 0 | 111.4 | K368 E369 E370 A375 S376 | K368-Q372 WeakPolarHBondContact O-CB 3.5Å; K368-Q372 VanDerWaalsContact O-CG 3.27Å; K368-Q372 WeakPolarHBondContact O-CG 3.28Å; K368-Q372 PolarHBondContact O-N 2.82Å; E369-Q372 PolarHBondContact O-N 3.39Å; E370-Q372 PolarHBondContact O-N 3.27Å; Q372-A375 PolarHBondContact O-N 3.37Å; Q372-S376 WeakPolarHBondContact O-CB 3.43Å; Q372-S376 PolarHBondContact O-N 3.19Å |
| 373 | S | 92.1 | Very high | 91.4 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | E369 E370 N371 A375 S376 N377 | E369-S373 WeakPolarHBondContact O-CB 3.39Å; E369-S373 PolarHBondContact O-N 3.33Å; E370-S373 WeakPolarHBondContact O-CB 3.02Å; E370-S373 PolarHBondContact O-N 2.8Å; N371-S373 VanDerWaalsContact C-N 3.35Å; S373-A375 PolarHBondContact O-N 3.37Å; S373-S376 PolarHBondContact O-N 3.38Å; S373-N377 WeakPolarHBondContact O-CB 3.41Å; S373-N377 VanDerWaalsContact O-CG 3.32Å; S373-N377 PolarHBondContact O-N 3.14Å; S373-N377 PolarHBondContact O-ND2 2.87Å |
| 374 | I | 91.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 94.5 Ų | 94.5 | 40% | 0.4 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.4 | -68.8 | 167.4 | 0 | 0 | 0 | 111 | E370 N371 S376 N377 L378 | E370-I374 HydrophobicContact CG-CD1 4.13Å; E370-I374 VanDerWaalsContact O-CG1 3.29Å; E370-I374 WeakPolarHBondContact O-CG1 3.3Å; E370-I374 PolarHBondContact O-N 3.26Å; N371-I374 PolarHBondContact O-N 3Å; I374-S376 VanDerWaalsContact C-N 3.35Å; I374-S376 PolarHBondContact O-N 2.73Å; I374-N377 PolarHBondContact O-N 3.26Å; I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 HydrophobicContact CG2-CG 4.38Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 3.1Å; I374-L378 PolarHBondContact O-N 2.89Å |
| 375 | A | 90.1 | Very high | 91.5 | Very high | 48 Ų | 48 | 95.5 Ų | 95.5 | 40% | 0.397 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N371 Q372 S373 N377 L378 D379 | N371-A375 VanDerWaalsContact O-CB 3.31Å; N371-A375 WeakPolarHBondContact O-CB 3.39Å; N371-A375 PolarHBondContact O-N 3.22Å; Q372-A375 PolarHBondContact O-N 3.37Å; S373-A375 PolarHBondContact O-N 3.37Å; A375-N377 PolarHBondContact O-N 2.99Å; A375-L378 PolarHBondContact O-N 3.16Å; A375-D379 PolarHBondContact O-N 3.22Å |
| 376 | S | 91.1 | Very high | 91.7 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.5 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | Q372 S373 I374 L378 D379 H380 | Q372-S376 WeakPolarHBondContact O-CB 3.43Å; Q372-S376 PolarHBondContact O-N 3.19Å; S373-S376 PolarHBondContact O-N 3.38Å; I374-S376 VanDerWaalsContact C-N 3.35Å; I374-S376 PolarHBondContact O-N 2.73Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 3.5Å; S376-D379 PolarHBondContact O-N 3.42Å; S376-H380 PolarHBondContact O-N 2.94Å; S376-H380 PolarHBondContact O-ND1 3.34Å |
| 377 | N | 93.3 | Very high | 91.7 | Very high | 88 Ų | 88 | 98.5 Ų | 98.5 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 177.7 | -72.8 | -30.5 | 0 | 0 | 0 | 112.1 | S373 I374 A375 D379 H380 I381 | S373-N377 WeakPolarHBondContact O-CB 3.41Å; S373-N377 VanDerWaalsContact O-CG 3.32Å; S373-N377 PolarHBondContact O-N 3.14Å; S373-N377 PolarHBondContact O-ND2 2.87Å; I374-N377 PolarHBondContact O-N 3.26Å; A375-N377 PolarHBondContact O-N 2.99Å; N377-D379 VanDerWaalsContact C-N 3.34Å; N377-D379 PolarHBondContact O-N 2.77Å; N377-H380 PolarHBondContact O-N 3.36Å; N377-I381 VanDerWaalsContact O-CG1 3.31Å; N377-I381 WeakPolarHBondContact O-CG1 3.17Å; N377-I381 PolarHBondContact O-N 2.88Å |
| 378 | L | 92.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 95.9 Ų | 95.9 | 45% | 0.445 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -40 | 176.1 | -77.5 | 172.2 | 0 | 0 | 0 | 112.1 | I374 A375 S376 I381 R382 | I374-L378 HydrophobicContact CG2-CD1 4Å; I374-L378 HydrophobicContact CG2-CG 4.38Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 3.1Å; I374-L378 PolarHBondContact O-N 2.89Å; A375-L378 PolarHBondContact O-N 3.16Å; S376-L378 VanDerWaalsContact C-N 3.34Å; S376-L378 PolarHBondContact O-N 3.5Å; L378-I381 PolarHBondContact O-N 3.31Å; L378-R382 WeakPolarHBondContact O-CB 3.5Å; L378-R382 VanDerWaalsContact O-CG 3.32Å; L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 2.86Å |
| 379 | D | 92.5 | Very high | 92 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 176.7 | -75.9 | -19.5 | 0 | 0 | 0 | 111.8 | A375 S376 N377 I381 R382 Q383 | A375-D379 PolarHBondContact O-N 3.22Å; S376-D379 PolarHBondContact O-N 3.42Å; N377-D379 VanDerWaalsContact C-N 3.34Å; N377-D379 PolarHBondContact O-N 2.77Å; D379-I381 PolarHBondContact O-N 2.88Å; D379-R382 PolarHBondContact O-N 3.04Å; D379-R382 IonicContact OD1-NH1 3.57Å; D379-R382 PolarHBondContact OD1-NH1 2.94Å; D379-Q383 WeakPolarHBondContact O-CG 3.46Å; D379-Q383 PolarHBondContact O-N 3.03Å |
| 380 | H | 92.9 | Very high | 92.1 | Very high | 116 Ų | 116 | 91.4 Ų | 91.4 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 172.1 | -74.8 | 85.5 | 0 | 0 | 0 | 111.8 | S376 N377 R382 Q383 A384 | S376-H380 PolarHBondContact O-N 2.94Å; S376-H380 PolarHBondContact O-ND1 3.34Å; N377-H380 PolarHBondContact O-N 3.36Å; H380-R382 PolarHBondContact O-N 3.14Å; H380-Q383 PolarHBondContact O-N 2.7Å; H380-A384 WeakPolarHBondContact O-CB 3.25Å; H380-A384 PolarHBondContact O-N 3.23Å |
| 381 | I | 92.6 | Very high | 92.2 | Very high | 112 Ų | 112 | 93.9 Ų | 93.9 | 57% | 0.574 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 177.6 | -68.8 | 167.3 | 0 | 0 | 0 | 111 | N377 L378 D379 A384 L385 | N377-I381 VanDerWaalsContact O-CG1 3.31Å; N377-I381 WeakPolarHBondContact O-CG1 3.17Å; N377-I381 PolarHBondContact O-N 2.88Å; L378-I381 PolarHBondContact O-N 3.31Å; D379-I381 PolarHBondContact O-N 2.88Å; I381-A384 PolarHBondContact O-N 3.44Å; I381-L385 WeakPolarHBondContact O-CB 3.31Å; I381-L385 PolarHBondContact O-N 3.01Å |
| 382 | R | 93.2 | Very high | 92.4 | Very high | 154 Ų | 154 | 97.4 Ų | 97.4 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 177.1 | -78.7 | 172.9 | 176.8 | 168.4 | -2 | 111.9 | L378 D379 H380 L385 Q386 | L378-R382 WeakPolarHBondContact O-CB 3.5Å; L378-R382 VanDerWaalsContact O-CG 3.32Å; L378-R382 WeakPolarHBondContact O-CG 3.39Å; L378-R382 PolarHBondContact O-N 2.86Å; D379-R382 PolarHBondContact O-N 3.04Å; D379-R382 IonicContact OD1-NH1 3.57Å; D379-R382 PolarHBondContact OD1-NH1 2.94Å; H380-R382 PolarHBondContact O-N 3.14Å; R382-L385 PolarHBondContact O-N 3.46Å; R382-Q386 WeakPolarHBondContact O-CG 2.89Å; R382-Q386 PolarHBondContact O-N 3.4Å |
| 383 | Q | 92.5 | Very high | 92.5 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 176.2 | -72 | 176.4 | 7.2 | 0 | 0 | 111.2 | D379 H380 L385 Q386 C387 | D379-Q383 WeakPolarHBondContact O-CG 3.46Å; D379-Q383 PolarHBondContact O-N 3.03Å; H380-Q383 PolarHBondContact O-N 2.7Å; Q383-L385 VanDerWaalsContact C-N 3.32Å; Q383-L385 PolarHBondContact O-N 3.1Å; Q383-Q386 PolarHBondContact O-N 3.02Å; Q383-C387 PolarHBondContact O-N 2.74Å |
| 384 | A | 91.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 100.7 Ų | 100.7 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H380 I381 C387 T388 | H380-A384 WeakPolarHBondContact O-CB 3.25Å; H380-A384 PolarHBondContact O-N 3.23Å; I381-A384 PolarHBondContact O-N 3.44Å; A384-C387 PolarHBondContact O-N 2.84Å; A384-T388 WeakPolarHBondContact O-CB 3.49Å; A384-T388 PolarHBondContact O-N 3.43Å; A384-T388 PolarHBondContact O-OG1 3.38Å |
| 385 | L | 93.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 100.5 Ų | 100.5 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.7 | -178.1 | 65.8 | 0 | 0 | 0 | 111.5 | I381 R382 Q383 T388 Q389 | I381-L385 WeakPolarHBondContact O-CB 3.31Å; I381-L385 PolarHBondContact O-N 3.01Å; R382-L385 PolarHBondContact O-N 3.46Å; Q383-L385 VanDerWaalsContact C-N 3.32Å; Q383-L385 PolarHBondContact O-N 3.1Å; L385-T388 PolarHBondContact O-N 3.49Å; L385-Q389 HydrophobicContact CD1-CG 4.41Å; L385-Q389 HydrophobicContact CG-CG 4.48Å; L385-Q389 WeakPolarHBondContact O-CB 3.44Å; L385-Q389 VanDerWaalsContact O-CG 3.29Å; L385-Q389 WeakPolarHBondContact O-CG 3.19Å; L385-Q389 PolarHBondContact O-N 3.29Å |
| 386 | Q | 92.9 | Very high | 92.6 | Very high | 133 Ų | 133 | 102.4 Ų | 102.4 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.4 | -46.1 | 176.5 | -76.6 | -178.7 | -9 | 0 | 0 | 111.9 | R382 Q383 T388 Q389 A390 | R382-Q386 WeakPolarHBondContact O-CG 2.89Å; R382-Q386 PolarHBondContact O-N 3.4Å; Q383-Q386 PolarHBondContact O-N 3.02Å; Q386-T388 VanDerWaalsContact C-N 3.34Å; Q386-T388 PolarHBondContact O-N 2.61Å; Q386-Q389 PolarHBondContact O-N 3.39Å; Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.09Å |
| 387 | C | 93.8 | Very high | 92.7 | Very high | 83 Ų | 83 | 105 Ų | 105 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 175 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | Q383 A384 Q389 A390 Q391 | Q383-C387 PolarHBondContact O-N 2.74Å; A384-C387 PolarHBondContact O-N 2.84Å; C387-Q389 PolarHBondContact O-N 3.33Å; C387-A390 PolarHBondContact O-N 2.95Å; C387-Q391 WeakPolarHBondContact O-CG 3.37Å; C387-Q391 PolarHBondContact O-N 2.94Å |
| 388 | T | 92.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 104.9 Ų | 104.9 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | A384 L385 Q386 Q391 R392 | A384-T388 WeakPolarHBondContact O-CB 3.49Å; A384-T388 PolarHBondContact O-N 3.43Å; A384-T388 PolarHBondContact O-OG1 3.38Å; L385-T388 PolarHBondContact O-N 3.49Å; Q386-T388 VanDerWaalsContact C-N 3.34Å; Q386-T388 PolarHBondContact O-N 2.61Å; T388-Q391 PolarHBondContact O-N 3.03Å; T388-R392 WeakPolarHBondContact O-CB 3.4Å; T388-R392 PolarHBondContact O-N 3.45Å |
| 389 | Q | 93.5 | Very high | 92.6 | Very high | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.4 | -75.8 | 179.5 | -1.8 | 0 | 0 | 112 | L385 Q386 C387 R392 R393 | L385-Q389 HydrophobicContact CD1-CG 4.41Å; L385-Q389 HydrophobicContact CG-CG 4.48Å; L385-Q389 WeakPolarHBondContact O-CB 3.44Å; L385-Q389 VanDerWaalsContact O-CG 3.29Å; L385-Q389 WeakPolarHBondContact O-CG 3.19Å; L385-Q389 PolarHBondContact O-N 3.29Å; Q386-Q389 PolarHBondContact O-N 3.39Å; C387-Q389 PolarHBondContact O-N 3.33Å; Q389-R392 PolarHBondContact O-N 3.49Å; Q389-R393 WeakPolarHBondContact O-CG 3.4Å; Q389-R393 PolarHBondContact O-N 3.32Å |
| 390 | A | 91.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 107.6 Ų | 107.6 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -47 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q386 C387 R392 R393 Q394 | Q386-A390 WeakPolarHBondContact O-CB 3.31Å; Q386-A390 PolarHBondContact O-N 3.09Å; C387-A390 PolarHBondContact O-N 2.95Å; A390-R392 VanDerWaalsContact C-N 3.33Å; A390-R392 PolarHBondContact O-N 3.41Å; A390-R393 PolarHBondContact O-N 3.44Å; A390-Q394 PolarHBondContact O-N 2.85Å |
| 391 | Q | 92.4 | Very high | 92.6 | Very high | 133 Ų | 133 | 104.9 Ų | 104.9 | 62% | 0.621 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.4 | -44.3 | 174.2 | -75.9 | 177.9 | -17.9 | 0 | 0 | 111.9 | C387 T388 R393 Q394 S395 | C387-Q391 WeakPolarHBondContact O-CG 3.37Å; C387-Q391 PolarHBondContact O-N 2.94Å; T388-Q391 PolarHBondContact O-N 3.03Å; Q391-R393 VanDerWaalsContact C-N 3.34Å; Q391-R393 PolarHBondContact O-N 2.85Å; Q391-Q394 WeakPolarHBondContact O-CB 3.09Å; Q391-Q394 PolarHBondContact O-N 2.98Å; Q391-S395 PolarHBondContact O-N 3.09Å; Q391-S395 PolarHBondContact O-OG 2.84Å |
| 392 | R | 92.9 | Very high | 92.5 | Very high | 172 Ų | 172 | 102.3 Ų | 102.3 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 176.8 | -177 | -179.6 | 176.7 | -177.4 | 1.5 | 112.2 | T388 Q389 A390 S395 Q396 | T388-R392 WeakPolarHBondContact O-CB 3.4Å; T388-R392 PolarHBondContact O-N 3.45Å; Q389-R392 PolarHBondContact O-N 3.49Å; A390-R392 VanDerWaalsContact C-N 3.33Å; A390-R392 PolarHBondContact O-N 3.41Å; R392-S395 PolarHBondContact O-N 2.96Å; R392-Q396 WeakPolarHBondContact O-CB 3.32Å; R392-Q396 WeakPolarHBondContact O-CG 3.33Å; R392-Q396 PolarHBondContact O-N 2.81Å |
| 393 | R | 92.4 | Very high | 92.5 | Very high | 169 Ų | 169 | 101.4 Ų | 101.4 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 176 | -74.3 | 179.7 | -174.2 | 176.7 | 3.3 | 110.9 | Q389 A390 Q391 S395 Q396 E397 | Q389-R393 WeakPolarHBondContact O-CG 3.4Å; Q389-R393 PolarHBondContact O-N 3.32Å; A390-R393 PolarHBondContact O-N 3.44Å; Q391-R393 VanDerWaalsContact C-N 3.34Å; Q391-R393 PolarHBondContact O-N 2.85Å; R393-S395 PolarHBondContact O-N 2.71Å; R393-Q396 WeakPolarHBondContact O-CB 3.45Å; R393-Q396 PolarHBondContact O-N 2.96Å; R393-Q396 VanDerWaalsContact O-N 3.16Å; R393-E397 PolarHBondContact O-N 3.06Å |
| 394 | Q | 93.2 | Very high | 92.6 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 176.2 | -172.8 | 62 | 48.8 | 0 | 0 | 111.3 | A390 Q391 Q396 E397 D398 | A390-Q394 PolarHBondContact O-N 2.85Å; Q391-Q394 WeakPolarHBondContact O-CB 3.09Å; Q391-Q394 PolarHBondContact O-N 2.98Å; Q394-Q396 VanDerWaalsContact C-N 3.27Å; Q394-Q396 PolarHBondContact O-N 2.88Å; Q394-E397 PolarHBondContact O-N 2.78Å; Q394-E397 VanDerWaalsContact O-N 3.1Å; Q394-D398 PolarHBondContact NE2-OD1 3.48Å; Q394-D398 VanDerWaalsContact O-CG 3.24Å; Q394-D398 PolarHBondContact O-N 3.15Å |
| 395 | S | 90.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.3 | -32.6 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 113.2 | Q391 R392 R393 A399 | Q391-S395 PolarHBondContact O-N 3.09Å; Q391-S395 PolarHBondContact O-OG 2.84Å; R392-S395 PolarHBondContact O-N 2.96Å; R393-S395 PolarHBondContact O-N 2.71Å; S395-A399 VanDerWaalsContact O-CB 3.25Å; S395-A399 WeakPolarHBondContact O-CB 3.44Å; S395-A399 PolarHBondContact O-N 2.81Å |
| 396 | Q | 92.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 174.1 | -78.4 | -179 | -21.2 | 0 | 0 | 112.4 | R392 R393 Q394 R400 | R392-Q396 WeakPolarHBondContact O-CB 3.32Å; R392-Q396 WeakPolarHBondContact O-CG 3.33Å; R392-Q396 PolarHBondContact O-N 2.81Å; R393-Q396 WeakPolarHBondContact O-CB 3.45Å; R393-Q396 PolarHBondContact O-N 2.96Å; R393-Q396 VanDerWaalsContact O-N 3.16Å; Q394-Q396 VanDerWaalsContact C-N 3.27Å; Q394-Q396 PolarHBondContact O-N 2.88Å; Q396-R400 VanDerWaalsContact O-CG 3.32Å; Q396-R400 WeakPolarHBondContact O-CG 3.16Å; Q396-R400 PolarHBondContact O-N 3.22Å |
| 397 | E | 92.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 174.7 | -72.1 | 177.6 | -177.3 | 0 | 0 | 111.2 | R393 Q394 A399 R400 A401 | R393-E397 PolarHBondContact O-N 3.06Å; Q394-E397 PolarHBondContact O-N 2.78Å; Q394-E397 VanDerWaalsContact O-N 3.1Å; E397-A399 VanDerWaalsContact C-N 3.34Å; E397-A399 PolarHBondContact O-N 2.74Å; E397-R400 WeakPolarHBondContact O-CB 3.22Å; E397-R400 PolarHBondContact O-N 3.48Å; E397-R400 VanDerWaalsContact O-N 3.17Å; E397-A401 WeakPolarHBondContact O-CB 3.37Å; E397-A401 PolarHBondContact O-N 3.33Å |
| 398 | D | 93 | Very high | 92.2 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176 | -63.5 | -19.8 | 0 | 0 | 0 | 111.2 | Q394 R400 A401 A402 | Q394-D398 PolarHBondContact NE2-OD1 3.48Å; Q394-D398 VanDerWaalsContact O-CG 3.24Å; Q394-D398 PolarHBondContact O-N 3.15Å; D398-R400 PolarHBondContact O-N 2.99Å; D398-A401 PolarHBondContact O-N 3.42Å; D398-A402 WeakPolarHBondContact O-CB 3.39Å; D398-A402 PolarHBondContact O-N 2.92Å |
| 399 | A | 91.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S395 E397 M403 | S395-A399 VanDerWaalsContact O-CB 3.25Å; S395-A399 WeakPolarHBondContact O-CB 3.44Å; S395-A399 PolarHBondContact O-N 2.81Å; E397-A399 VanDerWaalsContact C-N 3.34Å; E397-A399 PolarHBondContact O-N 2.74Å; A399-M403 WeakPolarHBondContact O-CB 3.15Å; A399-M403 PolarHBondContact O-N 3.34Å |
| 400 | R | 93.4 | Very high | 92 | Very high | 161 Ų | 161 | 100.4 Ų | 100.4 | 61% | 0.608 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 174.1 | -76.8 | 174.7 | -176.1 | 157.8 | 1.6 | 111.4 | Q396 E397 D398 M403 L404 | Q396-R400 VanDerWaalsContact O-CG 3.32Å; Q396-R400 WeakPolarHBondContact O-CG 3.16Å; Q396-R400 PolarHBondContact O-N 3.22Å; E397-R400 WeakPolarHBondContact O-CB 3.22Å; E397-R400 PolarHBondContact O-N 3.48Å; E397-R400 VanDerWaalsContact O-N 3.17Å; D398-R400 PolarHBondContact O-N 2.99Å; R400-M403 PolarHBondContact O-N 2.99Å; R400-L404 WeakPolarHBondContact O-CG 3.29Å; R400-L404 PolarHBondContact O-N 3.45Å |
| 401 | A | 92 | Very high | 92 | Very high | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E397 D398 M403 L404 A405 | E397-A401 WeakPolarHBondContact O-CB 3.37Å; E397-A401 PolarHBondContact O-N 3.33Å; D398-A401 PolarHBondContact O-N 3.42Å; A401-M403 VanDerWaalsContact C-N 3.34Å; A401-M403 PolarHBondContact O-N 3.35Å; A401-L404 PolarHBondContact O-N 3.48Å; A401-A405 WeakPolarHBondContact O-CB 3.33Å; A401-A405 PolarHBondContact O-N 3.18Å |
| 402 | A | 91.5 | Very high | 91.8 | Very high | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | D398 A405 A406 | D398-A402 WeakPolarHBondContact O-CB 3.39Å; D398-A402 PolarHBondContact O-N 2.92Å; A402-A405 PolarHBondContact O-N 3.45Å; A402-A406 WeakPolarHBondContact O-CB 3.34Å; A402-A406 PolarHBondContact O-N 3.46Å |
| 403 | M | 93.1 | Very high | 91.7 | Very high | 134 Ų | 134 | 100.8 Ų | 100.8 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 177.4 | -168.6 | 178.9 | -126 | 0 | 0 | 112.3 | A399 R400 A401 A406 N407 | A399-M403 WeakPolarHBondContact O-CB 3.15Å; A399-M403 PolarHBondContact O-N 3.34Å; R400-M403 PolarHBondContact O-N 2.99Å; A401-M403 VanDerWaalsContact C-N 3.34Å; A401-M403 PolarHBondContact O-N 3.35Å; M403-A406 PolarHBondContact O-N 2.74Å; M403-N407 WeakPolarHBondContact O-CB 3.42Å; M403-N407 PolarHBondContact O-N 3.34Å; M403-N407 PolarHBondContact O-ND2 3.23Å |
| 404 | L | 93.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 93.9 Ų | 93.9 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 174.2 | -73.1 | 170.7 | 0 | 0 | 0 | 111.5 | R400 A401 N407 A408 | R400-L404 WeakPolarHBondContact O-CG 3.29Å; R400-L404 PolarHBondContact O-N 3.45Å; A401-L404 PolarHBondContact O-N 3.48Å; L404-N407 PolarHBondContact O-N 3.2Å; L404-A408 PolarHBondContact O-N 3.32Å |
| 405 | A | 91.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 96.9 Ų | 96.9 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A401 A402 N407 A408 L409 | A401-A405 WeakPolarHBondContact O-CB 3.33Å; A401-A405 PolarHBondContact O-N 3.18Å; A402-A405 PolarHBondContact O-N 3.45Å; A405-N407 PolarHBondContact O-N 3.43Å; A405-A408 WeakPolarHBondContact O-CB 3.35Å; A405-A408 PolarHBondContact O-N 3.37Å; A405-L409 PolarHBondContact O-N 2.64Å |
| 406 | A | 90.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 98.3 Ų | 98.3 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A402 M403 L409 K410 | A402-A406 WeakPolarHBondContact O-CB 3.34Å; A402-A406 PolarHBondContact O-N 3.46Å; M403-A406 PolarHBondContact O-N 2.74Å; A406-L409 PolarHBondContact O-N 3.18Å; A406-K410 WeakPolarHBondContact O-CB 3.29Å; A406-K410 PolarHBondContact O-N 2.97Å |
| 407 | N | 91.5 | Very high | 91.1 | Very high | 77 Ų | 77 | 98.8 Ų | 98.8 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 175.3 | -79.1 | -33.1 | 0 | 0 | 0 | 112.4 | M403 L404 A405 K410 R411 | M403-N407 WeakPolarHBondContact O-CB 3.42Å; M403-N407 PolarHBondContact O-N 3.34Å; M403-N407 PolarHBondContact O-ND2 3.23Å; L404-N407 PolarHBondContact O-N 3.2Å; A405-N407 PolarHBondContact O-N 3.43Å; N407-K410 PolarHBondContact O-N 2.75Å; N407-R411 WeakPolarHBondContact O-CG 3.39Å; N407-R411 PolarHBondContact O-N 2.78Å |
| 408 | A | 90.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 98.2 Ų | 98.2 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L404 A405 K410 R411 T412 | L404-A408 PolarHBondContact O-N 3.32Å; A405-A408 WeakPolarHBondContact O-CB 3.35Å; A405-A408 PolarHBondContact O-N 3.37Å; A408-K410 PolarHBondContact O-N 3.43Å; A408-R411 PolarHBondContact O-N 3.11Å; A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.05Å |
| 409 | L | 90.6 | Very high | 90.7 | Very high | 118 Ų | 118 | 102.1 Ų | 102.1 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 173.7 | -87.9 | 159.9 | 0 | 0 | 0 | 112 | A405 A406 R411 T412 F413 | A405-L409 PolarHBondContact O-N 2.64Å; A406-L409 PolarHBondContact O-N 3.18Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.26Å; L409-T412 VanDerWaalsContact CA-OG1 3.27Å; L409-T412 WeakPolarHBondContact CA-OG1 2.9Å; L409-T412 PolarHBondContact O-N 2.73Å; L409-T412 PolarHBondContact O-OG1 3.19Å; L409-F413 WeakPolarHBondContact O-CB 3.46Å; L409-F413 PolarHBondContact O-N 3.5Å |
| 410 | K | 91.5 | Very high | 90.6 | Very high | 160 Ų | 160 | 107.9 Ų | 107.9 | 70% | 0.696 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.8 | -42.5 | 175.7 | -173.9 | 176.7 | -179.5 | 177.7 | 0 | 111.7 | A406 N407 A408 F413 G414 | A406-K410 WeakPolarHBondContact O-CB 3.29Å; A406-K410 PolarHBondContact O-N 2.97Å; N407-K410 PolarHBondContact O-N 2.75Å; A408-K410 PolarHBondContact O-N 3.43Å; K410-F413 PolarHBondContact O-N 2.6Å; K410-G414 PolarHBondContact O-N 3.18Å |
| 411 | R | 90.3 | Very high | 90.4 | Very high | 184 Ų | 184 | 105.5 Ų | 105.5 | 69% | 0.694 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 175.7 | -70.7 | 176.7 | -170.6 | -177.6 | 3.2 | 112.3 | N407 A408 L409 R415 | N407-R411 WeakPolarHBondContact O-CG 3.39Å; N407-R411 PolarHBondContact O-N 2.78Å; A408-R411 PolarHBondContact O-N 3.11Å; L409-R411 VanDerWaalsContact C-N 3.33Å; L409-R411 PolarHBondContact O-N 3.26Å; R411-R415 WeakPolarHBondContact O-CG 3.49Å; R411-R415 PolarHBondContact O-N 3.01Å |
| 412 | T | 90 | Very high | 90.2 | Very high | 56 Ų | 56 | 106.3 Ų | 106.3 | 34% | 0.344 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 175.1 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | A408 L409 R415 L416 | A408-T412 PolarHBondContact O-N 3.08Å; A408-T412 PolarHBondContact O-OG1 3.05Å; L409-T412 VanDerWaalsContact CA-OG1 3.27Å; L409-T412 WeakPolarHBondContact CA-OG1 2.9Å; L409-T412 PolarHBondContact O-N 2.73Å; L409-T412 PolarHBondContact O-OG1 3.19Å; T412-R415 PolarHBondContact O-N 3.22Å; T412-L416 WeakPolarHBondContact O-CG 3.28Å; T412-L416 PolarHBondContact O-N 3.32Å |
| 413 | F | 89 | Confident | 90 | Very high | 133 Ų | 133 | 107.9 Ų | 107.9 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 176.4 | -167.5 | -90.2 | 0 | 0 | 0 | 110.7 | L409 K410 R415 L416 E417 | L409-F413 WeakPolarHBondContact O-CB 3.46Å; L409-F413 PolarHBondContact O-N 3.5Å; K410-F413 PolarHBondContact O-N 2.6Å; F413-R415 VanDerWaalsContact C-N 3.27Å; F413-R415 PolarHBondContact O-N 2.96Å; F413-L416 WeakPolarHBondContact O-CB 3.31Å; F413-L416 PolarHBondContact O-N 2.99Å; F413-E417 WeakPolarHBondContact O-CB 3.13Å; F413-E417 PolarHBondContact O-N 3.33Å |
| 414 | G | 89.1 | Confident | 89.6 | Confident | 24 Ų | 24 | 103.7 Ų | 103.7 | 25% | 0.247 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K410 N418 | K410-G414 PolarHBondContact O-N 3.18Å; G414-N418 WeakPolarHBondContact O-CB 3.01Å; G414-N418 PolarHBondContact O-N 3.22Å; G414-N418 PolarHBondContact O-OD1 3.47Å |
| 415 | R | 89.4 | Confident | 89.3 | Confident | 164 Ų | 164 | 104.3 Ų | 104.3 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | -39.6 | 172 | -77.5 | -172.5 | -67.6 | -134 | 1 | 112.8 | R411 T412 F413 R419 | R411-R415 WeakPolarHBondContact O-CG 3.49Å; R411-R415 PolarHBondContact O-N 3.01Å; T412-R415 PolarHBondContact O-N 3.22Å; F413-R415 VanDerWaalsContact C-N 3.27Å; F413-R415 PolarHBondContact O-N 2.96Å; R415-R419 VanDerWaalsContact O-CB 3.31Å; R415-R419 WeakPolarHBondContact O-CB 3.5Å; R415-R419 PolarHBondContact O-N 3.32Å |
| 416 | L | 88.8 | Confident | 89.1 | Confident | 104 Ų | 104 | 107 Ų | 107 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 176.3 | -76.9 | 167.6 | 0 | 0 | 0 | 111.3 | T412 F413 R419 Y420 | T412-L416 WeakPolarHBondContact O-CG 3.28Å; T412-L416 PolarHBondContact O-N 3.32Å; F413-L416 WeakPolarHBondContact O-CB 3.31Å; F413-L416 PolarHBondContact O-N 2.99Å; L416-R419 PolarHBondContact O-N 3.2Å; L416-Y420 WeakPolarHBondContact O-CB 3.36Å; L416-Y420 PolarHBondContact O-N 2.81Å |
| 417 | E | 90.1 | Very high | 88.8 | Confident | 99 Ų | 99 | 108.6 Ų | 108.6 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -52.8 | 176.3 | -170.7 | 169.5 | -141.7 | 0 | 0 | 110.9 | F413 R419 Y420 E421 | F413-E417 WeakPolarHBondContact O-CB 3.13Å; F413-E417 PolarHBondContact O-N 3.33Å; E417-R419 VanDerWaalsContact C-N 3.26Å; E417-R419 PolarHBondContact O-N 3.33Å; E417-Y420 CarbonylContact O-C 3.52Å; E417-Y420 WeakPolarHBondContact O-CA 3.37Å; E417-Y420 WeakPolarHBondContact O-CB 3.46Å; E417-Y420 PolarHBondContact O-N 3.13Å; E417-E421 PolarHBondContact O-N 3.48Å |
| 418 | N | 88.5 | Confident | 88.5 | Confident | 98 Ų | 98 | 107 Ų | 107 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | 173.5 | -75 | 7.4 | 0 | 0 | 0 | 112.1 | G414 Y420 E421 V422 | G414-N418 WeakPolarHBondContact O-CB 3.01Å; G414-N418 PolarHBondContact O-N 3.22Å; G414-N418 PolarHBondContact O-OD1 3.47Å; N418-Y420 VanDerWaalsContact C-N 3.31Å; N418-Y420 PolarHBondContact O-N 3.01Å; N418-E421 PolarHBondContact O-N 3Å; N418-V422 VanDerWaalsContact O-CG2 3.29Å; N418-V422 WeakPolarHBondContact O-CG2 2.79Å; N418-V422 PolarHBondContact O-N 3.06Å |
| 419 | R | 88.9 | Confident | 88.1 | Confident | 168 Ų | 168 | 106.8 Ų | 106.8 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -37.4 | 178.3 | -163.6 | 170.1 | 87.7 | 172.3 | 7.2 | 111.2 | R415 L416 E417 L423 | R415-R419 VanDerWaalsContact O-CB 3.31Å; R415-R419 WeakPolarHBondContact O-CB 3.5Å; R415-R419 PolarHBondContact O-N 3.32Å; L416-R419 PolarHBondContact O-N 3.2Å; E417-R419 VanDerWaalsContact C-N 3.26Å; E417-R419 PolarHBondContact O-N 3.33Å; R419-L423 HydrophobicContact CG-CD1 3.98Å; R419-L423 WeakPolarHBondContact O-CB 3.33Å; R419-L423 VanDerWaalsContact O-CD1 3.29Å; R419-L423 WeakPolarHBondContact O-CD1 3.48Å; R419-L423 PolarHBondContact O-N 3.06Å |
| 420 | Y | 88.3 | Confident | 87.8 | Confident | 181 Ų | 181 | 106.8 Ų | 106.8 | 71% | 0.71 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -44.3 | 174.5 | -173 | -91.5 | 0 | 0 | 0 | 111.3 | L416 E417 N418 L423 A424 | L416-Y420 WeakPolarHBondContact O-CB 3.36Å; L416-Y420 PolarHBondContact O-N 2.81Å; E417-Y420 CarbonylContact O-C 3.52Å; E417-Y420 WeakPolarHBondContact O-CA 3.37Å; E417-Y420 WeakPolarHBondContact O-CB 3.46Å; E417-Y420 PolarHBondContact O-N 3.13Å; N418-Y420 VanDerWaalsContact C-N 3.31Å; N418-Y420 PolarHBondContact O-N 3.01Å; Y420-L423 PolarHBondContact O-N 3.35Å; Y420-A424 VanDerWaalsContact O-CB 3.28Å; Y420-A424 WeakPolarHBondContact O-CB 3.24Å; Y420-A424 PolarHBondContact O-N 3.31Å |
| 421 | E | 88.8 | Confident | 87.4 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -48 | 174.4 | -75.3 | -176.6 | 164.8 | 0 | 0 | 111.8 | E417 N418 L423 A424 E425 | E417-E421 PolarHBondContact O-N 3.48Å; N418-E421 PolarHBondContact O-N 3Å; E421-L423 VanDerWaalsContact C-N 3.35Å; E421-L423 PolarHBondContact O-N 2.95Å; E421-A424 WeakPolarHBondContact O-CB 3.42Å; E421-A424 PolarHBondContact O-N 2.77Å; E421-A424 VanDerWaalsContact O-N 3.14Å; E421-E425 PolarHBondContact O-N 3.36Å |
| 422 | V | 88.9 | Confident | 87.1 | Confident | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.2 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | N418 A424 E425 Q426 | N418-V422 VanDerWaalsContact O-CG2 3.29Å; N418-V422 WeakPolarHBondContact O-CG2 2.79Å; N418-V422 PolarHBondContact O-N 3.06Å; V422-A424 VanDerWaalsContact C-N 3.35Å; V422-E425 PolarHBondContact O-N 3.49Å; V422-Q426 WeakPolarHBondContact O-CB 3.4Å; V422-Q426 WeakPolarHBondContact O-CG 3.18Å; V422-Q426 PolarHBondContact O-N 2.95Å |
| 423 | L | 86.5 | Confident | 86.7 | Confident | 92 Ų | 92 | 105.4 Ų | 105.4 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 174.9 | -99.3 | 122.9 | 0 | 0 | 0 | 111.8 | R419 Y420 E421 Q426 V427 | R419-L423 HydrophobicContact CG-CD1 3.98Å; R419-L423 WeakPolarHBondContact O-CB 3.33Å; R419-L423 VanDerWaalsContact O-CD1 3.29Å; R419-L423 WeakPolarHBondContact O-CD1 3.48Å; R419-L423 PolarHBondContact O-N 3.06Å; Y420-L423 PolarHBondContact O-N 3.35Å; E421-L423 VanDerWaalsContact C-N 3.35Å; E421-L423 PolarHBondContact O-N 2.95Å; L423-Q426 PolarHBondContact O-N 3.43Å; L423-V427 WeakPolarHBondContact O-CB 3.48Å; L423-V427 VanDerWaalsContact O-CG2 3.27Å; L423-V427 WeakPolarHBondContact O-CG2 3.44Å; L423-V427 PolarHBondContact O-N 3.29Å |
| 424 | A | 85.6 | Confident | 86.2 | Confident | 45 Ų | 45 | 102.6 Ų | 102.6 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y420 E421 V422 V427 A428 | Y420-A424 VanDerWaalsContact O-CB 3.28Å; Y420-A424 WeakPolarHBondContact O-CB 3.24Å; Y420-A424 PolarHBondContact O-N 3.31Å; E421-A424 WeakPolarHBondContact O-CB 3.42Å; E421-A424 PolarHBondContact O-N 2.77Å; E421-A424 VanDerWaalsContact O-N 3.14Å; V422-A424 VanDerWaalsContact C-N 3.35Å; A424-V427 PolarHBondContact O-N 2.98Å; A424-A428 VanDerWaalsContact O-CB 3.28Å; A424-A428 WeakPolarHBondContact O-CB 3.39Å; A424-A428 PolarHBondContact O-N 3.04Å |
| 425 | E | 87.1 | Confident | 85.8 | Confident | 138 Ų | 138 | 105.9 Ų | 105.9 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 173.4 | -76.3 | -171.6 | 163.2 | 0 | 0 | 112.2 | E421 V422 A428 S429 | E421-E425 PolarHBondContact O-N 3.36Å; V422-E425 PolarHBondContact O-N 3.49Å; E425-A428 CarbonylContact O-C 3.57Å; E425-A428 PolarHBondContact O-N 3.13Å; E425-S429 PolarHBondContact O-N 3.13Å; E425-S429 PolarHBondContact O-OG 3.35Å |
| 426 | Q | 86.4 | Confident | 85.3 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.5 | -79.2 | 178.8 | -20.5 | 0 | 0 | 111.3 | V422 L423 A428 S429 E430 | V422-Q426 WeakPolarHBondContact O-CB 3.4Å; V422-Q426 WeakPolarHBondContact O-CG 3.18Å; V422-Q426 PolarHBondContact O-N 2.95Å; L423-Q426 PolarHBondContact O-N 3.43Å; Q426-A428 VanDerWaalsContact C-N 3.31Å; Q426-A428 PolarHBondContact O-N 3.42Å; Q426-S429 WeakPolarHBondContact CA-OG 3.41Å; Q426-S429 PolarHBondContact O-N 3.39Å; Q426-S429 PolarHBondContact O-OG 3.49Å; Q426-E430 WeakPolarHBondContact O-CB 3.37Å; Q426-E430 VanDerWaalsContact O-CG 3.28Å; Q426-E430 WeakPolarHBondContact O-CG 3.35Å; Q426-E430 PolarHBondContact O-N 3.17Å |
| 427 | V | 84.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 103.1 Ų | 103.1 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | L423 A424 S429 E430 V431 | L423-V427 WeakPolarHBondContact O-CB 3.48Å; L423-V427 VanDerWaalsContact O-CG2 3.27Å; L423-V427 WeakPolarHBondContact O-CG2 3.44Å; L423-V427 PolarHBondContact O-N 3.29Å; A424-V427 PolarHBondContact O-N 2.98Å; V427-S429 PolarHBondContact O-N 3.14Å; V427-E430 PolarHBondContact O-N 3.05Å; V427-V431 HydrophobicContact CG1-CG2 4.32Å; V427-V431 WeakPolarHBondContact O-CB 3.45Å; V427-V431 WeakPolarHBondContact O-CG2 3.31Å; V427-V431 PolarHBondContact O-N 2.81Å |
| 428 | A | 84.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 101.9 Ų | 101.9 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -34.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A424 E425 Q426 R432 | A424-A428 VanDerWaalsContact O-CB 3.28Å; A424-A428 WeakPolarHBondContact O-CB 3.39Å; A424-A428 PolarHBondContact O-N 3.04Å; E425-A428 CarbonylContact O-C 3.57Å; E425-A428 PolarHBondContact O-N 3.13Å; Q426-A428 VanDerWaalsContact C-N 3.31Å; Q426-A428 PolarHBondContact O-N 3.42Å; A428-R432 WeakPolarHBondContact O-CB 2.65Å; A428-R432 WeakPolarHBondContact O-CG 3.45Å; A428-R432 PolarHBondContact O-N 3.25Å; A428-R432 PolarHBondContact O-NE 3.16Å |
| 429 | S | 83.9 | Confident | 83.5 | Confident | 50 Ų | 50 | 103 Ų | 103 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.8 | -41.3 | 173.8 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | E425 Q426 V427 R432 W433 | E425-S429 PolarHBondContact O-N 3.13Å; E425-S429 PolarHBondContact O-OG 3.35Å; Q426-S429 WeakPolarHBondContact CA-OG 3.41Å; Q426-S429 PolarHBondContact O-N 3.39Å; Q426-S429 PolarHBondContact O-OG 3.49Å; V427-S429 PolarHBondContact O-N 3.14Å; S429-R432 PolarHBondContact O-N 3.04Å; S429-W433 WeakPolarHBondContact O-CB 3.25Å; S429-W433 PolarHBondContact O-N 3.06Å |
| 430 | E | 84.3 | Confident | 82.7 | Confident | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 174.8 | -70.9 | -64.8 | 151.4 | 0 | 0 | 110.6 | Q426 V427 W433 V434 | Q426-E430 WeakPolarHBondContact O-CB 3.37Å; Q426-E430 VanDerWaalsContact O-CG 3.28Å; Q426-E430 WeakPolarHBondContact O-CG 3.35Å; Q426-E430 PolarHBondContact O-N 3.17Å; V427-E430 PolarHBondContact O-N 3.05Å; E430-W433 PolarHBondContact O-N 3.48Å; E430-V434 VanDerWaalsContact O-CG2 3.28Å; E430-V434 WeakPolarHBondContact O-CG2 3.48Å; E430-V434 PolarHBondContact O-N 2.88Å |
| 431 | V | 82.3 | Confident | 81.9 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 111 | V427 W433 V434 E435 | V427-V431 HydrophobicContact CG1-CG2 4.32Å; V427-V431 WeakPolarHBondContact O-CB 3.45Å; V427-V431 WeakPolarHBondContact O-CG2 3.31Å; V427-V431 PolarHBondContact O-N 2.81Å; V431-W433 VanDerWaalsContact C-N 3.34Å; V431-W433 PolarHBondContact O-N 3.09Å; V431-V434 PolarHBondContact O-N 2.83Å; V431-E435 HydrophobicContact CG1-CG 4.5Å; V431-E435 WeakPolarHBondContact O-CG 3.25Å; V431-E435 PolarHBondContact O-N 2.86Å |
| 432 | R | 83.6 | Confident | 81 | Confident | 148 Ų | 148 | 93.7 Ų | 93.7 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 175.7 | -79.7 | -176.7 | -67.9 | -170.2 | 0.1 | 112.5 | A428 S429 V434 E435 E436 | A428-R432 WeakPolarHBondContact O-CB 2.65Å; A428-R432 WeakPolarHBondContact O-CG 3.45Å; A428-R432 PolarHBondContact O-N 3.25Å; A428-R432 PolarHBondContact O-NE 3.16Å; S429-R432 PolarHBondContact O-N 3.04Å; R432-V434 VanDerWaalsContact C-N 3.35Å; R432-E435 PolarHBondContact O-N 3.18Å; R432-E436 WeakPolarHBondContact O-CB 3.15Å; R432-E436 PolarHBondContact O-N 2.52Å |
| 433 | W | 82.4 | Confident | 79.7 | Confident | 149 Ų | 149 | 98.1 Ų | 98.1 | 56% | 0.564 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 176.5 | -179 | 82.3 | 0 | 0 | 0 | 110.8 | S429 E430 V431 E435 E436 L437 | S429-W433 WeakPolarHBondContact O-CB 3.25Å; S429-W433 PolarHBondContact O-N 3.06Å; E430-W433 PolarHBondContact O-N 3.48Å; V431-W433 VanDerWaalsContact C-N 3.34Å; V431-W433 PolarHBondContact O-N 3.09Å; W433-E435 PolarHBondContact O-N 2.82Å; W433-E436 PolarHBondContact O-N 3.13Å; W433-L437 HydrophobicContact CH2-CD1 4.21Å; W433-L437 HydrophobicContact CH2-CD2 4.1Å; W433-L437 HydrophobicContact CZ2-CD1 3.95Å; W433-L437 HydrophobicContact CZ3-CD2 4.31Å; W433-L437 VanDerWaalsContact O-CB 3.28Å; W433-L437 WeakPolarHBondContact O-CB 3.47Å; W433-L437 PolarHBondContact O-N 3.33Å |
| 434 | V | 78.8 | Confident | 78.4 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 173.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | E430 V431 R432 E436 L437 V438 | E430-V434 VanDerWaalsContact O-CG2 3.28Å; E430-V434 WeakPolarHBondContact O-CG2 3.48Å; E430-V434 PolarHBondContact O-N 2.88Å; V431-V434 PolarHBondContact O-N 2.83Å; R432-V434 VanDerWaalsContact C-N 3.35Å; V434-E436 PolarHBondContact O-N 3.15Å; V434-L437 PolarHBondContact O-N 2.99Å; V434-V438 WeakPolarHBondContact O-CB 3.47Å; V434-V438 WeakPolarHBondContact O-CG2 3.37Å; V434-V438 PolarHBondContact O-N 3.26Å |
| 435 | E | 79.9 | Confident | 77.2 | Confident | 92 Ų | 92 | 106.8 Ų | 106.8 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 176.8 | -75.2 | -178.8 | -176.6 | 0 | 0 | 113.5 | V431 R432 W433 R439 | V431-E435 HydrophobicContact CG1-CG 4.5Å; V431-E435 WeakPolarHBondContact O-CG 3.25Å; V431-E435 PolarHBondContact O-N 2.86Å; R432-E435 PolarHBondContact O-N 3.18Å; W433-E435 PolarHBondContact O-N 2.82Å; E435-R439 WeakPolarHBondContact O-CB 3.48Å; E435-R439 WeakPolarHBondContact O-CG 3.3Å; E435-R439 PolarHBondContact O-N 2.87Å; E435-R439 IonicContact OE2-NH2 2.68Å; E435-R439 PolarHBondContact OE2-NH2 2.95Å; E435-R439 VanDerWaalsContact OE2-NH2 3.1Å |
| 436 | E | 79.8 | Confident | 76 | Confident | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.7 | -39.2 | 176.3 | -80.2 | -176.4 | 175.6 | 0 | 0 | 111.8 | R432 W433 V434 V438 R439 G440 | R432-E436 WeakPolarHBondContact O-CB 3.15Å; R432-E436 PolarHBondContact O-N 2.52Å; W433-E436 PolarHBondContact O-N 3.13Å; V434-E436 PolarHBondContact O-N 3.15Å; E436-V438 VanDerWaalsContact C-N 3.32Å; E436-V438 PolarHBondContact O-N 3.27Å; E436-R439 CarbonylContact O-C 3.43Å; E436-R439 PolarHBondContact O-N 3.47Å; E436-G440 PolarHBondContact O-N 2.99Å |
| 437 | L | 76.8 | Confident | 74.6 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 173.5 | -165.4 | 87.3 | 0 | 0 | 0 | 110.2 | W433 V434 G440 I441 | W433-L437 HydrophobicContact CH2-CD1 4.21Å; W433-L437 HydrophobicContact CH2-CD2 4.1Å; W433-L437 HydrophobicContact CZ2-CD1 3.95Å; W433-L437 HydrophobicContact CZ3-CD2 4.31Å; W433-L437 VanDerWaalsContact O-CB 3.28Å; W433-L437 WeakPolarHBondContact O-CB 3.47Å; W433-L437 PolarHBondContact O-N 3.33Å; V434-L437 PolarHBondContact O-N 2.99Å; L437-G440 PolarHBondContact O-N 3.43Å; L437-I441 HydrophobicContact CG-CD1 4.49Å; L437-I441 VanDerWaalsContact O-CG1 3.32Å; L437-I441 WeakPolarHBondContact O-CG1 3.43Å; L437-I441 PolarHBondContact O-N 3.42Å; L437-I441 VanDerWaalsContact O-N 3.1Å |
| 438 | V | 76.5 | Confident | 73.4 | Confident | 72 Ų | 72 | 109.4 Ų | 109.4 | 44% | 0.436 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 174.6 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | V434 E436 G440 I441 E442 | V434-V438 WeakPolarHBondContact O-CB 3.47Å; V434-V438 WeakPolarHBondContact O-CG2 3.37Å; V434-V438 PolarHBondContact O-N 3.26Å; E436-V438 VanDerWaalsContact C-N 3.32Å; E436-V438 PolarHBondContact O-N 3.27Å; V438-G440 VanDerWaalsContact C-N 3.32Å; V438-G440 PolarHBondContact O-N 3.06Å; V438-I441 PolarHBondContact O-N 2.87Å; V438-E442 WeakPolarHBondContact O-CG 3.1Å; V438-E442 PolarHBondContact O-N 2.7Å; V438-E442 VanDerWaalsContact O-N 3.11Å |
| 439 | R | 75.9 | Confident | 72 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.8 | -27.3 | 178.2 | -79.9 | -173.9 | -98.2 | -170.9 | -10.6 | 114.3 | E435 E436 R443 | E435-R439 WeakPolarHBondContact O-CB 3.48Å; E435-R439 WeakPolarHBondContact O-CG 3.3Å; E435-R439 PolarHBondContact O-N 2.87Å; E435-R439 IonicContact OE2-NH2 2.68Å; E435-R439 PolarHBondContact OE2-NH2 2.95Å; E435-R439 VanDerWaalsContact OE2-NH2 3.1Å; E436-R439 CarbonylContact O-C 3.43Å; E436-R439 PolarHBondContact O-N 3.47Å; R439-R443 PolarHBondContact O-N 3.38Å; R439-R443 VanDerWaalsContact O-N 3.15Å |
| 440 | G | 72.4 | Confident | 70.1 | Confident | 34 Ų | 34 | 118.1 Ų | 118.1 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71 | -45 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E436 L437 V438 E442 R443 E444 | E436-G440 PolarHBondContact O-N 2.99Å; L437-G440 PolarHBondContact O-N 3.43Å; V438-G440 VanDerWaalsContact C-N 3.32Å; V438-G440 PolarHBondContact O-N 3.06Å; G440-E442 PolarHBondContact O-N 2.84Å; G440-R443 PolarHBondContact O-N 3.07Å; G440-E444 PolarHBondContact O-N 3.07Å |
| 441 | I | 70.9 | Confident | 68.6 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.4 | -34.7 | 174.1 | -66.9 | 167.6 | 0 | 0 | 0 | 111 | L437 V438 | L437-I441 HydrophobicContact CG-CD1 4.49Å; L437-I441 VanDerWaalsContact O-CG1 3.32Å; L437-I441 WeakPolarHBondContact O-CG1 3.43Å; L437-I441 PolarHBondContact O-N 3.42Å; L437-I441 VanDerWaalsContact O-N 3.1Å; V438-I441 PolarHBondContact O-N 2.87Å |
| 442 | E | 68.6 | Low | 67.9 | Low | 114 Ų | 114 | 124 Ų | 124 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.6 | -38.6 | 176.1 | -72.3 | 174.3 | 163.8 | 0 | 0 | 112.9 | V438 G440 K445 | V438-E442 WeakPolarHBondContact O-CG 3.1Å; V438-E442 PolarHBondContact O-N 2.7Å; V438-E442 VanDerWaalsContact O-N 3.11Å; G440-E442 PolarHBondContact O-N 2.84Å; E442-K445 VanDerWaalsContact O-CB 3.31Å; E442-K445 WeakPolarHBondContact O-CB 3.45Å; E442-K445 PolarHBondContact O-N 3.17Å |
| 443 | R | 62.4 | Low | 67.1 | Low | 171 Ų | 171 | 122.7 Ų | 122.7 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.5 | -32.2 | -175.8 | -82.4 | -173.3 | -86.4 | -172.5 | -4 | 115.4 | R439 G440 K445 D446 S447 | R439-R443 PolarHBondContact O-N 3.38Å; R439-R443 VanDerWaalsContact O-N 3.15Å; G440-R443 PolarHBondContact O-N 3.07Å; R443-K445 PolarHBondContact O-N 2.95Å; R443-D446 PolarHBondContact O-N 3.25Å; R443-S447 PolarHBondContact O-OG 2.93Å |
| 444 | E | 60.2 | Low | 66.3 | Low | 154 Ų | 154 | 121.3 Ų | 121.3 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.1 | -20.8 | 172 | -94.9 | -174.3 | 162.1 | 0 | 0 | 112.6 | G440 | G440-E444 PolarHBondContact O-N 3.07Å |
| 445 | K | 59.8 | Low | 65.5 | Low | 165 Ų | 165 | 124 Ų | 124 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.8 | -27.2 | 178.9 | -138 | 178 | -178.8 | -177.8 | 0 | 113.1 | E442 R443 | E442-K445 VanDerWaalsContact O-CB 3.31Å; E442-K445 WeakPolarHBondContact O-CB 3.45Å; E442-K445 PolarHBondContact O-N 3.17Å; R443-K445 PolarHBondContact O-N 2.95Å |
| 446 | D | 60.9 | Low | 64.6 | Low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -96.8 | -19.7 | -168 | -77.4 | -13.8 | 0 | 0 | 0 | 115 | R443 L448 | R443-D446 PolarHBondContact O-N 3.25Å; D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 2.76Å |
| 447 | S | 57.8 | Low | 63.6 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.1 | 178.5 | 24.6 | 0 | 0 | 0 | 0 | 114.5 | R443 V449 | R443-S447 PolarHBondContact O-OG 2.93Å; S447-V449 VanDerWaalsContact C-N 3.35Å; S447-V449 PolarHBondContact O-N 2.67Å |
| 448 | L | 59.9 | Low | 62.7 | Low | 151 Ų | 151 | 128.9 Ų | 128.9 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 11.2 | -177.4 | -105.9 | 148.9 | 0 | 0 | 0 | 115 | D446 | D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 2.76Å |
| 449 | V | 55.5 | Low | 61.6 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.655 | 69% | 0.691 | S | S | * | * | trans | -141.4 | 98.5 | -178.4 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | S447 | S447-V449 VanDerWaalsContact C-N 3.35Å; S447-V449 PolarHBondContact O-N 2.67Å | ||
| 450 | M | 44.4 | Very low | 60.4 | Low | 169 Ų | 169 | 134.3 Ų | 134.3 | 83% | 0.833 | 71% | 0.71 | S | S | * | * | trans | 171.7 | 146.6 | 130.2 | -88.4 | -61.6 | 165.7 | 0 | 0 | 110 | ||||
| 451 | P | 52.5 | Low | 59.4 | Low | 191 Ų | 191 | 143.4 Ų | 143.4 | 100% | 1.24 | 74% | 0.743 | S | S | * | * | trans | -80.6 | 0 | -147.2 | 31.5 | -37.9 | 0 | 0 | 0 | 117.5 |
Retrieved 451 of 451 residues in 712.3 ms
(Link to these results)