| 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 | 40.7 | Very low | 46.7 | Very low | 238 Ų | 238 | 143.8 Ų | 143.8 | 100% | 1.172 | 78% | 0.782 | S | S | * | * | 0 | 119.1 | 0 | -67.5 | 134.8 | 162.6 | 0 | 0 | 107.1 | |||||
| 2 | S | 45.1 | Very low | 46.9 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -143.5 | 131 | -1.2 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | D | 44.1 | Very low | 47.2 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -75 | 131 | 178.1 | -169.7 | -6.4 | 0 | 0 | 0 | 109.6 | G5 | D3-G5 PolarHBondContact OD1-N 3.47Š| ||
| 4 | T | 52.8 | Low | 48 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -128.4 | 21.6 | 176.7 | -27.6 | 0 | 0 | 0 | 0 | 111.8 | Q6 | T4-Q6 PolarHBondContact O-N 3.11Å; T4-Q6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | G | 41.7 | Very low | 48.8 | Very low | 53 Ų | 53 | 132.9 Ų | 132.9 | 55% | 0.546 | 74% | 0.739 | S | S | . | * | trans | -80.2 | 79.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D3 | D3-G5 PolarHBondContact OD1-N 3.47Š| ||
| 6 | Q | 49.7 | Very low | 49.7 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | trans | -171.5 | 91.6 | 157.7 | -112.4 | 163.9 | 93.7 | 0 | 0 | 112.8 | T4 | T4-Q6 PolarHBondContact O-N 3.11Å; T4-Q6 VanDerWaalsContact O-N 3.12Å | ||
| 7 | M | 50.2 | Low | 50.8 | Low | 149 Ų | 149 | 124.4 Ų | 124.4 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | trans | -148.5 | 23.7 | 173.8 | -142.4 | 177 | -70.9 | 0 | 0 | 115.4 | ||||
| 8 | S | 50.5 | Low | 52.5 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 89% | 0.888 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -126.4 | -5.6 | -177.7 | -167.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 9 | S | 43.7 | Very low | 54.5 | Low | 99 Ų | 99 | 115.6 Ų | 115.6 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | -148.3 | 106 | 176.4 | -172.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 10 | R | 49.2 | Very low | 56.3 | Low | 190 Ų | 190 | 110 Ų | 110 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | -165.2 | 118.6 | 117.4 | -105.5 | 154.7 | -78.1 | 175.2 | -6.8 | 110.3 | |||||
| 11 | K | 46.4 | Very low | 57.9 | Low | 198 Ų | 198 | 110.2 Ų | 110.2 | 86% | 0.861 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -63.9 | 137.3 | 165.7 | -72.1 | 176.1 | 175.4 | 176.7 | 0 | 108.7 | S13 | K11-S13 PolarHBondContact O-N 3.2Š|
| 12 | L | 49.2 | Very low | 60.3 | Low | 165 Ų | 165 | 100 Ų | 100 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | trans | 52 | 59 | 155.8 | -58.1 | 168.3 | 0 | 0 | 0 | 115.8 | ||||
| 13 | S | 51.1 | Low | 62.5 | Low | 65 Ų | 65 | 95.2 Ų | 95.2 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | trans | -72.7 | 125.5 | 156.9 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | K11 S15 | K11-S13 PolarHBondContact O-N 3.2Å; S13-S15 PolarHBondContact O-N 3.44Å | ||
| 14 | T | 57.5 | Low | 64.7 | Low | 115 Ų | 115 | 94.9 Ų | 94.9 | 71% | 0.706 | 51% | 0.513 | S | S | * | . | trans | -69.7 | -17.5 | 177.2 | -47 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | S | 60.1 | Low | 66.6 | Low | 66 Ų | 66 | 89.9 Ų | 89.9 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -58.2 | 134.7 | 171.9 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | S13 E17 | S13-S15 PolarHBondContact O-N 3.44Å; S15-E17 VanDerWaalsContact CB-OE2 3.23Å; S15-E17 WeakPolarHBondContact CB-OE2 3.26Å; S15-E17 PolarHBondContact O-N 3.05Å |
| 16 | G | 62.8 | Low | 68.8 | Low | 10 Ų | 10 | 91.9 Ų | 91.9 | 10% | 0.103 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | 52.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F20 Y79 | G16-F20 WeakPolarHBondContact O-CD2 3.36Å; G16-Y79 VanDerWaalsContact CA-CZ 3.48Å; G16-Y79 WeakPolarHBondContact CA-OH 3.32Å; G16-Y79 WeakPolarHBondContact O-CE1 3.33Å |
| 17 | E | 69.1 | Low | 70.5 | Confident | 111 Ų | 111 | 91.5 Ų | 91.5 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -30.8 | -178 | -66.9 | 171.3 | 129.7 | 0 | 0 | 112 | S15 L19 F20 H21 Y79 | S15-E17 VanDerWaalsContact CB-OE2 3.23Å; S15-E17 WeakPolarHBondContact CB-OE2 3.26Å; S15-E17 PolarHBondContact O-N 3.05Å; E17-L19 PolarHBondContact O-N 3.22Å; E17-F20 PolarHBondContact O-N 3.31Å; E17-H21 VanDerWaalsContact O-CB 3.26Å; E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.14Å; E17-Y79 PolarHBondContact N-OH 2.95Å |
| 18 | S | 81.4 | Confident | 72.2 | Confident | 60 Ų | 60 | 86.7 Ų | 86.7 | 42% | 0.42 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.4 | -47.7 | -170.2 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | H21 V22 Y79 | S18-H21 PolarHBondContact O-N 3.1Å; S18-V22 VanDerWaalsContact O-CG2 3.25Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.35Å; S18-Y79 PolarHBondContact N-OH 3.15Å; S18-Y79 VanDerWaalsContact N-OH 3.1Å; S18-Y79 PolarHBondContact OG-OH 3.07Å |
| 19 | L | 90 | Very high | 74 | Confident | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.2 | -39.7 | -178.2 | -86.9 | 66 | 0 | 0 | 0 | 112.7 | E17 L23 A66 I69 L70 Y79 | E17-L19 PolarHBondContact O-N 3.22Å; L19-L23 PolarHBondContact O-N 2.88Å; L19-A66 HydrophobicContact CB-CB 4.06Å; L19-A66 HydrophobicContact CD2-CB 4.47Å; L19-A66 HydrophobicContact CG-CB 3.84Å; L19-I69 HydrophobicContact CD2-CB 3.6Å; L19-I69 HydrophobicContact CD2-CD1 3.84Å; L19-I69 HydrophobicContact CD2-CG1 4.35Å; L19-I69 HydrophobicContact CD2-CG2 3.41Å; L19-I69 VanDerWaalsContact CD2-CG2 3.41Å; L19-L70 HydrophobicContact CB-CD1 4.08Å; L19-L70 HydrophobicContact CB-CD2 4.5Å; L19-L70 HydrophobicContact CB-CG 4.29Å; L19-L70 HydrophobicContact CD2-CD2 4.33Å; L19-L70 HydrophobicContact CD2-CG 4.23Å; L19-Y79 HydrophobicContact CB-CE1 3.88Å; L19-Y79 HydrophobicContact CD1-CD2 4.47Å; L19-Y79 HydrophobicContact CD1-CE1 4.42Å; L19-Y79 HydrophobicContact CD1-CE2 3.74Å; L19-Y79 HydrophobicContact CD2-CD1 4.43Å; L19-Y79 HydrophobicContact CD2-CE1 4.37Å; L19-Y79 HydrophobicContact CD2-CE2 4.46Å; L19-Y79 HydrophobicContact CD2-CG 4.5Å; L19-Y79 HydrophobicContact CG-CE1 4.44Å; L19-Y79 PolarHBondContact N-OH 3.03Å |
| 20 | F | 91.3 | Very high | 76.3 | Confident | 4 Ų | 4 | 79.7 Ų | 79.7 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 176.6 | -66.2 | -86.8 | 0 | 0 | 0 | 110.9 | G16 E17 L23 R24 V25 P26 K27 L70 Y79 E80 | G16-F20 WeakPolarHBondContact O-CD2 3.36Å; E17-F20 PolarHBondContact O-N 3.31Å; F20-L23 CarbonylContact O-C 3.54Å; F20-L23 PolarHBondContact O-N 2.86Å; F20-R24 PolarHBondContact O-N 2.88Å; F20-V25 CarbonylContact C-O 3.6Å; F20-V25 HydrophobicContact CB-CG2 4.11Å; F20-V25 HydrophobicContact CD1-CG2 3.95Å; F20-V25 WeakPolarHBondContact O-CG2 3.26Å; F20-V25 PolarHBondContact O-N 3.15Å; F20-P26 WeakPolarHBondContact CD1-O 3.26Å; F20-K27 HydrophobicContact CE2-CG 4.38Å; F20-L70 HydrophobicContact CD1-CD1 3.85Å; F20-L70 HydrophobicContact CD2-CD1 4.36Å; F20-L70 HydrophobicContact CE1-CD1 3.83Å; F20-L70 HydrophobicContact CE1-CD2 4.27Å; F20-L70 HydrophobicContact CE2-CD1 4.35Å; F20-L70 HydrophobicContact CE2-CD2 3.91Å; F20-L70 HydrophobicContact CG-CD1 4.12Å; F20-L70 HydrophobicContact CZ-CD1 4.09Å; F20-L70 HydrophobicContact CZ-CD2 3.73Å; F20-Y79 HydrophobicContact CD2-CE1 4.05Å; F20-Y79 HydrophobicContact CE2-CD1 4.15Å; F20-Y79 AromaticContact CE2-CE1 3.92Å; F20-Y79 HydrophobicContact CE2-CE1 3.92Å; F20-E80 HydrophobicContact CE2-CG 4.36Å; F20-E80 HydrophobicContact CZ-CG 4.28Å |
| 21 | H | 89.6 | Confident | 78.3 | Confident | 114 Ų | 114 | 73.4 Ų | 73.4 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175 | -176.7 | -90.2 | 0 | 0 | 0 | 112.5 | E17 S18 L23 R24 | E17-H21 VanDerWaalsContact O-CB 3.26Å; E17-H21 WeakPolarHBondContact O-CB 3.32Å; E17-H21 PolarHBondContact O-N 3.14Å; S18-H21 PolarHBondContact O-N 3.1Å; H21-L23 VanDerWaalsContact C-N 3.31Å; H21-L23 PolarHBondContact O-N 3.12Å; H21-R24 WeakPolarHBondContact O-CA 3.33Å; H21-R24 PolarHBondContact O-N 3.02Å |
| 22 | V | 91 | Very high | 80.5 | Confident | 24 Ų | 24 | 69.8 Ų | 69.8 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.4 | -44.7 | 174.7 | 165.7 | 0 | 0 | 0 | 0 | 111.4 | S18 R24 E62 I63 A66 | S18-V22 VanDerWaalsContact O-CG2 3.25Å; S18-V22 WeakPolarHBondContact O-CG2 3.39Å; S18-V22 PolarHBondContact O-N 3.35Å; V22-R24 PolarHBondContact O-N 2.72Å; V22-E62 HydrophobicContact CG1-CB 4.26Å; V22-E62 HydrophobicContact CG1-CG 4.03Å; V22-E62 HydrophobicContact CG2-CG 3.84Å; V22-I63 HydrophobicContact CG1-CB 4.48Å; V22-I63 HydrophobicContact CG1-CG1 3.98Å; V22-A66 HydrophobicContact CB-CB 4.3Å; V22-A66 HydrophobicContact CG1-CB 3.97Å |
| 23 | L | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.6 | 176 | -81.5 | 159.9 | 0 | 0 | 0 | 114 | L19 F20 H21 V25 S37 L41 I63 A66 L70 | L19-L23 PolarHBondContact O-N 2.88Å; F20-L23 CarbonylContact O-C 3.54Å; F20-L23 PolarHBondContact O-N 2.86Å; H21-L23 VanDerWaalsContact C-N 3.31Å; H21-L23 PolarHBondContact O-N 3.12Å; L23-V25 VanDerWaalsContact C-N 3.3Å; L23-V25 HydrophobicContact CB-CG2 3.74Å; L23-V25 PolarHBondContact O-N 3.33Å; L23-S37 VanDerWaalsContact O-CB 3.32Å; L23-S37 WeakPolarHBondContact O-CB 3.26Å; L23-S37 PolarHBondContact O-OG 2.84Å; L23-L41 HydrophobicContact CD2-CD1 4.47Å; L23-L41 WeakPolarHBondContact O-CD1 3.44Å; L23-I63 HydrophobicContact CD2-CG2 4.28Å; L23-A66 HydrophobicContact CD1-CB 3.85Å; L23-A66 HydrophobicContact CG-CB 4.13Å; L23-L70 HydrophobicContact CD1-CD1 3.95Å |
| 24 | R | 90.5 | Very high | 84.7 | Confident | 147 Ų | 147 | 61.6 Ų | 61.6 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 47.4 | -176.6 | -54.7 | -174.4 | -173.6 | 174.4 | 1.7 | 112.8 | F20 H21 V22 | F20-R24 PolarHBondContact O-N 2.88Å; H21-R24 WeakPolarHBondContact O-CA 3.33Å; H21-R24 PolarHBondContact O-N 3.02Å; V22-R24 PolarHBondContact O-N 2.72Å |
| 25 | V | 91.4 | Very high | 86.4 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | trans | -125 | 152.7 | 179.2 | -72.4 | 0 | 0 | 0 | 0 | 110.3 | F20 L23 A29 L34 | F20-V25 CarbonylContact C-O 3.6Å; F20-V25 HydrophobicContact CB-CG2 4.11Å; F20-V25 HydrophobicContact CD1-CG2 3.95Å; F20-V25 WeakPolarHBondContact O-CG2 3.26Å; F20-V25 PolarHBondContact O-N 3.15Å; L23-V25 VanDerWaalsContact C-N 3.3Å; L23-V25 HydrophobicContact CB-CG2 3.74Å; L23-V25 PolarHBondContact O-N 3.33Å; V25-A29 HydrophobicContact CB-CB 4.15Å; V25-L34 HydrophobicContact CB-CD2 4.48Å; V25-L34 HydrophobicContact CG1-CD2 4.49Å; V25-L34 HydrophobicContact CG2-CD2 3.84Å | ||
| 26 | P | 88.9 | Confident | 88.1 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 62% | 0.617 | 32% | 0.32 | S | S | * | . | trans | -69.1 | 150.3 | 172.6 | 29 | -33.8 | 0 | 0 | 0 | 111.3 | F20 G28 A29 | F20-P26 WeakPolarHBondContact CD1-O 3.26Å; P26-G28 PolarHBondContact O-N 3.39Å; P26-A29 HydrophobicContact CG-CB 4.19Å; P26-A29 WeakPolarHBondContact O-CB 3.38Å; P26-A29 PolarHBondContact O-N 3.48Å; P26-A29 VanDerWaalsContact O-N 3.15Å | ||
| 27 | K | 85.5 | Confident | 89.6 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 130.2 | 168 | -177.6 | -178.4 | 178.9 | -177.2 | 0 | 108.9 | F20 | F20-K27 HydrophobicContact CE2-CG 4.38Š|
| 28 | G | 84.8 | Confident | 90.9 | Very high | 49 Ų | 49 | 59.2 Ų | 59.2 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P26 R76 | P26-G28 PolarHBondContact O-N 3.39Å; G28-R76 PolarHBondContact O-NH2 3.31Å |
| 29 | A | 88.8 | Confident | 91.5 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 31% | 0.306 | C | S | . | . | trans | -50.1 | 144.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V25 P26 D33 L34 R76 | V25-A29 HydrophobicContact CB-CB 4.15Å; P26-A29 HydrophobicContact CG-CB 4.19Å; P26-A29 WeakPolarHBondContact O-CB 3.38Å; P26-A29 PolarHBondContact O-N 3.48Å; P26-A29 VanDerWaalsContact O-N 3.15Å; A29-D33 HydrophobicContact CB-CB 4.42Å; A29-L34 HydrophobicContact CB-CD2 4.33Å; A29-R76 PolarHBondContact O-NH1 2.94Å; A29-R76 PolarHBondContact O-NH2 3.47Å | ||
| 30 | P | 91.4 | Very high | 91.8 | Very high | 74 Ų | 74 | 68.4 Ų | 68.4 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | trans | -67.8 | 156.4 | 175.4 | 30.7 | -35.8 | 0 | 0 | 0 | 110.9 | E32 D33 L34 | P30-E32 PolarHBondContact O-N 2.94Å; P30-E32 VanDerWaalsContact O-N 3.15Å; P30-D33 WeakPolarHBondContact CD-OD2 3.37Å; P30-D33 HydrophobicContact CG-CB 4.18Å; P30-D33 WeakPolarHBondContact CG-OD2 3.42Å; P30-D33 PolarHBondContact O-N 3.16Å; P30-L34 PolarHBondContact O-N 3.35Å | ||
| 31 | E | 92 | Very high | 91.9 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.6 | -29.8 | -175.4 | -150.9 | -137.7 | 137.5 | 0 | 0 | 112.8 | D33 L34 R35 | E31-D33 VanDerWaalsContact C-N 3.28Å; E31-D33 PolarHBondContact O-N 3.21Å; E31-L34 HydrophobicContact CG-CD1 4.29Å; E31-L34 WeakPolarHBondContact O-CB 3.38Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-R35 VanDerWaalsContact CD-NE 3.31Å; E31-R35 VanDerWaalsContact O-CG 3.29Å; E31-R35 WeakPolarHBondContact O-CG 3.33Å; E31-R35 PolarHBondContact O-N 3.22Å; E31-R35 IonicContact OE1-CZ 3.42Å; E31-R35 IonicContact OE1-NE 2.89Å; E31-R35 PolarHBondContact OE1-NE 3.09Å; E31-R35 IonicContact OE1-NH2 3.56Å; E31-R35 PolarHBondContact OE1-NH2 2.93Å; E31-R35 IonicContact OE2-CZ 2.72Å; E31-R35 IonicContact OE2-NE 2.74Å; E31-R35 IonicContact OE2-NH2 2.68Å; E31-R35 PolarHBondContact OE2-NH2 3.05Å |
| 32 | E | 93.3 | Very high | 92.1 | Very high | 121 Ų | 121 | 63.6 Ų | 63.6 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.9 | -40.4 | 171.5 | -69 | -168.1 | -166.3 | 0 | 0 | 113.7 | P30 R35 K36 | P30-E32 PolarHBondContact O-N 2.94Å; P30-E32 VanDerWaalsContact O-N 3.15Å; E32-R35 WeakPolarHBondContact O-CB 3.44Å; E32-R35 PolarHBondContact O-N 3.36Å; E32-K36 WeakPolarHBondContact O-CB 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.46Å; E32-K36 WeakPolarHBondContact OE2-CE 3.45Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 3.12Å |
| 33 | D | 93.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -79.5 | -29.5 | -175.5 | -67.3 | -13.9 | 0 | 0 | 0 | 111 | A29 P30 E31 K36 S37 | A29-D33 HydrophobicContact CB-CB 4.42Å; P30-D33 WeakPolarHBondContact CD-OD2 3.37Å; P30-D33 HydrophobicContact CG-CB 4.18Å; P30-D33 WeakPolarHBondContact CG-OD2 3.42Å; P30-D33 PolarHBondContact O-N 3.16Å; E31-D33 VanDerWaalsContact C-N 3.28Å; E31-D33 PolarHBondContact O-N 3.21Å; D33-K36 PolarHBondContact O-N 3.44Å; D33-K36 WeakPolarHBondContact OD1-CD 3.35Å; D33-K36 WeakPolarHBondContact OD1-CE 3.5Å; D33-K36 IonicContact OD1-NZ 4Å; D33-K36 PolarHBondContact OD1-NZ 3.44Å; D33-S37 WeakPolarHBondContact O-CB 3.47Å; D33-S37 PolarHBondContact O-N 2.97Å |
| 34 | L | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -58.7 | -50.9 | 164 | -50.9 | -178.7 | 0 | 0 | 0 | 110.1 | V25 A29 P30 E31 K36 S37 Y38 L70 | V25-L34 HydrophobicContact CB-CD2 4.48Å; V25-L34 HydrophobicContact CG1-CD2 4.49Å; V25-L34 HydrophobicContact CG2-CD2 3.84Å; A29-L34 HydrophobicContact CB-CD2 4.33Å; P30-L34 PolarHBondContact O-N 3.35Å; E31-L34 HydrophobicContact CG-CD1 4.29Å; E31-L34 WeakPolarHBondContact O-CB 3.38Å; E31-L34 PolarHBondContact O-N 2.87Å; L34-K36 PolarHBondContact O-N 2.89Å; L34-S37 PolarHBondContact O-N 3.47Å; L34-Y38 WeakPolarHBondContact O-CB 3.23Å; L34-Y38 PolarHBondContact O-N 3.26Å; L34-L70 HydrophobicContact CD1-CB 3.58Å; L34-L70 WeakPolarHBondContact CD1-O 3.15Å; L34-L70 HydrophobicContact CD2-CD1 4.13Å |
| 35 | R | 94 | Very high | 92.2 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 41% | 0.408 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177 | -67.7 | 169.7 | -177.2 | -169.8 | 4.9 | 112.2 | E31 E32 R39 Y67 | E31-R35 VanDerWaalsContact CD-NE 3.31Å; E31-R35 VanDerWaalsContact O-CG 3.29Å; E31-R35 WeakPolarHBondContact O-CG 3.33Å; E31-R35 PolarHBondContact O-N 3.22Å; E31-R35 IonicContact OE1-CZ 3.42Å; E31-R35 IonicContact OE1-NE 2.89Å; E31-R35 PolarHBondContact OE1-NE 3.09Å; E31-R35 IonicContact OE1-NH2 3.56Å; E31-R35 PolarHBondContact OE1-NH2 2.93Å; E31-R35 IonicContact OE2-CZ 2.72Å; E31-R35 IonicContact OE2-NE 2.74Å; E31-R35 IonicContact OE2-NH2 2.68Å; E31-R35 PolarHBondContact OE2-NH2 3.05Å; E32-R35 WeakPolarHBondContact O-CB 3.44Å; E32-R35 PolarHBondContact O-N 3.36Å; R35-R39 WeakPolarHBondContact O-CG 3.26Å; R35-R39 PolarHBondContact O-N 3.35Å; R35-R39 VanDerWaalsContact O-N 3.17Å; R35-Y67 HydrophobicContact CG-CE2 4.09Å |
| 36 | K | 95 | Very high | 92.1 | Very high | 91 Ų | 91 | 70.6 Ų | 70.6 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -48.6 | 177.4 | -70.6 | 160.7 | -155.9 | 157.6 | 0 | 111 | E32 D33 L34 R40 | E32-K36 WeakPolarHBondContact O-CB 3.25Å; E32-K36 WeakPolarHBondContact O-CG 3.45Å; E32-K36 PolarHBondContact O-N 3.46Å; E32-K36 WeakPolarHBondContact OE2-CE 3.45Å; E32-K36 IonicContact OE2-NZ 2.73Å; E32-K36 PolarHBondContact OE2-NZ 3.12Å; D33-K36 PolarHBondContact O-N 3.44Å; D33-K36 WeakPolarHBondContact OD1-CD 3.35Å; D33-K36 WeakPolarHBondContact OD1-CE 3.5Å; D33-K36 IonicContact OD1-NZ 4Å; D33-K36 PolarHBondContact OD1-NZ 3.44Å; L34-K36 PolarHBondContact O-N 2.89Å; K36-R40 PolarHBondContact O-N 2.8Å |
| 37 | S | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -71.6 | -38.3 | -178.6 | -156.6 | 0 | 0 | 0 | 0 | 112.5 | L23 D33 L34 R39 R40 L41 | L23-S37 VanDerWaalsContact O-CB 3.32Å; L23-S37 WeakPolarHBondContact O-CB 3.26Å; L23-S37 PolarHBondContact O-OG 2.84Å; D33-S37 WeakPolarHBondContact O-CB 3.47Å; D33-S37 PolarHBondContact O-N 2.97Å; L34-S37 PolarHBondContact O-N 3.47Å; S37-R39 PolarHBondContact O-N 3.18Å; S37-R40 WeakPolarHBondContact O-CB 3.33Å; S37-R40 PolarHBondContact O-N 3.2Å; S37-R40 PolarHBondContact OG-NH2 3.4Å; S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.39Å |
| 38 | Y | 95.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.8 | -51.3 | 172.6 | 174.3 | -107.1 | 0 | 0 | 0 | 111.5 | L34 R40 L41 A42 I63 Y67 | L34-Y38 WeakPolarHBondContact O-CB 3.23Å; L34-Y38 PolarHBondContact O-N 3.26Å; Y38-R40 VanDerWaalsContact C-N 3.33Å; Y38-R40 PolarHBondContact O-N 3.48Å; Y38-L41 PolarHBondContact O-N 2.95Å; Y38-A42 HydrophobicContact CE2-CB 4.43Å; Y38-A42 WeakPolarHBondContact O-CB 3.36Å; Y38-A42 PolarHBondContact O-N 3.36Å; Y38-I63 HydrophobicContact CD2-CG2 3.67Å; Y38-I63 HydrophobicContact CE2-CG2 3.98Å; Y38-Y67 AromaticContact CD1-CD1 3.95Å; Y38-Y67 HydrophobicContact CD1-CD1 3.95Å; Y38-Y67 HydrophobicContact CD1-CD2 4.14Å; Y38-Y67 AromaticContact CD1-CE1 3.95Å; Y38-Y67 HydrophobicContact CD1-CE1 3.95Å; Y38-Y67 HydrophobicContact CD1-CE2 4.13Å; Y38-Y67 HydrophobicContact CD1-CG 4.05Å; Y38-Y67 AromaticContact CD2-CD1 3.95Å; Y38-Y67 HydrophobicContact CD2-CD1 3.95Å; Y38-Y67 HydrophobicContact CD2-CD2 4.05Å; Y38-Y67 AromaticContact CD2-CG 3.56Å; Y38-Y67 HydrophobicContact CD2-CG 3.56Å; Y38-Y67 HydrophobicContact CE1-CD1 4.01Å; Y38-Y67 HydrophobicContact CE1-CE1 4.06Å; Y38-Y67 HydrophobicContact CE1-CG 4.49Å; Y38-Y67 HydrophobicContact CE2-CD1 4.02Å; Y38-Y67 HydrophobicContact CE2-CG 4.05Å; Y38-Y67 AromaticContact CG-CD1 3.93Å; Y38-Y67 HydrophobicContact CG-CD1 3.93Å; Y38-Y67 AromaticContact CG-CD2 3.62Å; Y38-Y67 HydrophobicContact CG-CD2 3.62Å; Y38-Y67 HydrophobicContact CG-CE1 4.32Å; Y38-Y67 HydrophobicContact CG-CE2 4.04Å; Y38-Y67 AromaticContact CG-CG 3.56Å; Y38-Y67 HydrophobicContact CG-CG 3.56Å |
| 39 | R | 94.9 | Very high | 92.7 | Very high | 139 Ų | 139 | 72.1 Ų | 72.1 | 53% | 0.525 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 176.3 | -72.9 | -172.8 | -59.7 | -98.3 | 5.5 | 112.3 | R35 S37 L43 | R35-R39 WeakPolarHBondContact O-CG 3.26Å; R35-R39 PolarHBondContact O-N 3.35Å; R35-R39 VanDerWaalsContact O-N 3.17Å; S37-R39 PolarHBondContact O-N 3.18Å; R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 2.89Å |
| 40 | R | 94.9 | Very high | 92.7 | Very high | 135 Ų | 135 | 74.1 Ų | 74.1 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.6 | 174.8 | 178.4 | 62 | 179.4 | -1.9 | 112.5 | K36 S37 Y38 Q44 | K36-R40 PolarHBondContact O-N 2.8Å; S37-R40 WeakPolarHBondContact O-CB 3.33Å; S37-R40 PolarHBondContact O-N 3.2Å; S37-R40 PolarHBondContact OG-NH2 3.4Å; Y38-R40 VanDerWaalsContact C-N 3.33Å; Y38-R40 PolarHBondContact O-N 3.48Å; R40-Q44 WeakPolarHBondContact O-CG 3.32Å; R40-Q44 PolarHBondContact O-N 3.4Å |
| 41 | L | 93.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.8 | -38.8 | -178 | -68.1 | 168.4 | 0 | 0 | 0 | 112 | L23 S37 Y38 L43 Q44 F45 I63 | L23-L41 HydrophobicContact CD2-CD1 4.47Å; L23-L41 WeakPolarHBondContact O-CD1 3.44Å; S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 WeakPolarHBondContact O-CG 3.38Å; S37-L41 PolarHBondContact O-N 3.39Å; Y38-L41 PolarHBondContact O-N 2.95Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.35Å; L41-Q44 PolarHBondContact O-N 2.95Å; L41-F45 HydrophobicContact CD2-CD2 4.47Å; L41-F45 HydrophobicContact CD2-CE2 4.06Å; L41-F45 WeakPolarHBondContact O-CD2 3.17Å; L41-F45 PolarHBondContact O-N 2.95Å; L41-I63 HydrophobicContact CB-CD1 3.83Å; L41-I63 HydrophobicContact CB-CG1 4.37Å; L41-I63 HydrophobicContact CB-CG2 4.19Å |
| 42 | A | 93.7 | Very high | 92.3 | Very high | 16 Ų | 16 | 80 Ų | 80 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.3 | -37 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y38 H46 F60 | Y38-A42 HydrophobicContact CE2-CB 4.43Å; Y38-A42 WeakPolarHBondContact O-CB 3.36Å; Y38-A42 PolarHBondContact O-N 3.36Å; A42-H46 WeakPolarHBondContact O-CB 3.42Å; A42-H46 PolarHBondContact O-N 3.02Å; A42-H46 VanDerWaalsContact O-N 3.16Å; A42-F60 HydrophobicContact CB-CE2 3.96Å |
| 43 | L | 92.1 | Very high | 92 | Very high | 122 Ų | 122 | 78 Ų | 78 | 64% | 0.639 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -73 | -24.4 | 174.3 | -71.6 | 171.9 | 0 | 0 | 0 | 113.9 | R39 L41 | R39-L43 WeakPolarHBondContact O-CG 3.37Å; R39-L43 PolarHBondContact O-N 2.89Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.35Å |
| 44 | Q | 91.2 | Very high | 91.8 | Very high | 93 Ų | 93 | 79.7 Ų | 79.7 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82 | -45.2 | 177 | -72.3 | 171.4 | 19.6 | 0 | 0 | 111.7 | R40 L41 N50 | R40-Q44 WeakPolarHBondContact O-CG 3.32Å; R40-Q44 PolarHBondContact O-N 3.4Å; L41-Q44 PolarHBondContact O-N 2.95Å; Q44-N50 PolarHBondContact O-ND2 3.39Å |
| 45 | F | 91.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 82.6 Ų | 82.6 | 19% | 0.189 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -98.5 | 14.8 | -174.6 | -64.2 | -75.7 | 0 | 0 | 0 | 113.9 | L41 A56 T59 F60 I63 | L41-F45 HydrophobicContact CD2-CD2 4.47Å; L41-F45 HydrophobicContact CD2-CE2 4.06Å; L41-F45 WeakPolarHBondContact O-CD2 3.17Å; L41-F45 PolarHBondContact O-N 2.95Å; F45-A56 HydrophobicContact CD1-CB 4.19Å; F45-T59 HydrophobicContact CD1-CG2 3.87Å; F45-T59 HydrophobicContact CD2-CG2 4.04Å; F45-T59 HydrophobicContact CE1-CG2 3.9Å; F45-T59 HydrophobicContact CE2-CG2 4.08Å; F45-T59 HydrophobicContact CG-CG2 3.94Å; F45-T59 HydrophobicContact CZ-CG2 4.01Å; F45-F60 HydrophobicContact CB-CB 4.24Å; F45-I63 HydrophobicContact CB-CD1 4.24Å; F45-I63 HydrophobicContact CD2-CD1 3.59Å; F45-I63 HydrophobicContact CE2-CD1 4.3Å; F45-I63 HydrophobicContact CG-CD1 4.14Å |
| 46 | H | 90.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 77.5 Ų | 77.5 | 36% | 0.361 | 39% | 0.393 | S | S | . | . | trans | -61.6 | 133.1 | 178.1 | -154.8 | -108.3 | 0 | 0 | 0 | 110.6 | A42 D48 K49 N50 | A42-H46 WeakPolarHBondContact O-CB 3.42Å; A42-H46 PolarHBondContact O-N 3.02Å; A42-H46 VanDerWaalsContact O-N 3.16Å; H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 VanDerWaalsContact ND1-CB 3.26Å; H46-D48 WeakPolarHBondContact ND1-CB 3.35Å; H46-D48 PolarHBondContact O-N 2.73Å; H46-K49 HydrophobicContact CB-CG 4.47Å; H46-K49 PolarHBondContact O-N 3.49Å; H46-N50 PolarHBondContact O-N 3.45Å; H46-N50 PolarHBondContact O-ND2 2.83Å | ||
| 47 | P | 89.7 | Confident | 91.2 | Very high | 61 Ų | 61 | 74.7 Ų | 74.7 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -61.9 | -36.7 | -176.6 | 22.6 | -33.2 | 0 | 0 | 0 | 112.8 | K49 N50 | P47-K49 PolarHBondContact O-N 3.25Å; P47-K49 VanDerWaalsContact O-N 3.15Å; P47-N50 CarbonylContact O-C 3.27Å; P47-N50 VanDerWaalsContact O-C 3.27Å; P47-N50 PolarHBondContact O-N 3.46Å |
| 48 | D | 91.2 | Very high | 90.9 | Very high | 125 Ų | 125 | 80.5 Ų | 80.5 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -53.2 | -31.6 | 172.7 | -177.7 | 73.4 | 0 | 0 | 0 | 113.8 | H46 | H46-D48 VanDerWaalsContact C-N 3.31Å; H46-D48 VanDerWaalsContact ND1-CB 3.26Å; H46-D48 WeakPolarHBondContact ND1-CB 3.35Å; H46-D48 PolarHBondContact O-N 2.73Å |
| 49 | K | 90.4 | Very high | 90.7 | Very high | 132 Ų | 132 | 80.1 Ų | 80.1 | 57% | 0.574 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -95 | -8.5 | -179.2 | -65.8 | -169.8 | 177.4 | -54.6 | 0 | 113.7 | H46 P47 | H46-K49 HydrophobicContact CB-CG 4.47Å; H46-K49 PolarHBondContact O-N 3.49Å; P47-K49 PolarHBondContact O-N 3.25Å; P47-K49 VanDerWaalsContact O-N 3.15Å |
| 50 | N | 89.2 | Confident | 90.6 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 25% | 0.246 | 40% | 0.401 | C | S | . | . | trans | -138.9 | 48.6 | -174.9 | -58.6 | -94.5 | 0 | 0 | 0 | 111 | Q44 H46 P47 D52 N53 A56 | Q44-N50 PolarHBondContact O-ND2 3.39Å; H46-N50 PolarHBondContact O-N 3.45Å; H46-N50 PolarHBondContact O-ND2 2.83Å; P47-N50 CarbonylContact O-C 3.27Å; P47-N50 VanDerWaalsContact O-C 3.27Å; P47-N50 PolarHBondContact O-N 3.46Å; N50-D52 PolarHBondContact O-N 3.5Å; N50-N53 HydrophobicContact CB-CB 4.38Å; N50-N53 PolarHBondContact O-N 3.44Å; N50-N53 VanDerWaalsContact O-N 3.11Å; N50-A56 HydrophobicContact CB-CB 3.58Å | ||
| 51 | P | 86.2 | Confident | 90.4 | Very high | 102 Ų | 102 | 75.9 Ų | 75.9 | 66% | 0.662 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.6 | -172.6 | 25.3 | -34.2 | 0 | 0 | 0 | 112.6 | N53 | P51-N53 VanDerWaalsContact C-N 3.33Å; P51-N53 PolarHBondContact O-N 2.93Å |
| 52 | D | 87.4 | Confident | 90.3 | Very high | 155 Ų | 155 | 80.9 Ų | 80.9 | 83% | 0.829 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.2 | -178.1 | -44.8 | -76.9 | 0 | 0 | 0 | 114.1 | N50 | N50-D52 PolarHBondContact O-N 3.5Š|
| 53 | N | 88.6 | Confident | 90.3 | Very high | 77 Ų | 77 | 80.2 Ų | 80.2 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | trans | -119.3 | 96.3 | -172.2 | -172.7 | -8.7 | 0 | 0 | 0 | 112.6 | N50 P51 S55 A56 | N50-N53 HydrophobicContact CB-CB 4.38Å; N50-N53 PolarHBondContact O-N 3.44Å; N50-N53 VanDerWaalsContact O-N 3.11Å; P51-N53 VanDerWaalsContact C-N 3.33Å; P51-N53 PolarHBondContact O-N 2.93Å; N53-S55 PolarHBondContact O-N 3.04Å; N53-S55 VanDerWaalsContact OD1-CB 3.32Å; N53-S55 WeakPolarHBondContact OD1-CB 3.32Å; N53-S55 PolarHBondContact OD1-N 3.49Å; N53-A56 HydrophobicContact CB-CB 4.26Å; N53-A56 WeakPolarHBondContact O-CB 3.35Å; N53-A56 PolarHBondContact O-N 3.17Å; N53-A56 VanDerWaalsContact O-N 3.07Å; N53-A56 PolarHBondContact OD1-N 3.36Å | ||
| 54 | P | 88.5 | Confident | 90.3 | Very high | 95 Ų | 95 | 77.2 Ų | 77.2 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.6 | -28.3 | 179.2 | 24.7 | -33.5 | 0 | 0 | 0 | 113.1 | A56 A57 E58 | P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 3.26Å; P54-A57 PolarHBondContact O-N 3.06Å; P54-A57 VanDerWaalsContact O-N 3.14Å; P54-E58 PolarHBondContact O-N 3.32Å; P54-E58 VanDerWaalsContact O-N 3.1Å |
| 55 | S | 89.5 | Confident | 90.4 | Very high | 61 Ų | 61 | 79.7 Ų | 79.7 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -27.1 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 112.2 | N53 E58 T59 | N53-S55 PolarHBondContact O-N 3.04Å; N53-S55 VanDerWaalsContact OD1-CB 3.32Å; N53-S55 WeakPolarHBondContact OD1-CB 3.32Å; N53-S55 PolarHBondContact OD1-N 3.49Å; S55-E58 PolarHBondContact O-N 3.13Å; S55-T59 WeakPolarHBondContact O-CB 3.29Å; S55-T59 PolarHBondContact O-N 3.41Å; S55-T59 PolarHBondContact O-OG1 2.83Å |
| 56 | A | 89.9 | Confident | 90.4 | Very high | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.008 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F45 N50 N53 P54 E58 T59 F60 | F45-A56 HydrophobicContact CD1-CB 4.19Å; N50-A56 HydrophobicContact CB-CB 3.58Å; N53-A56 HydrophobicContact CB-CB 4.26Å; N53-A56 WeakPolarHBondContact O-CB 3.35Å; N53-A56 PolarHBondContact O-N 3.17Å; N53-A56 VanDerWaalsContact O-N 3.07Å; N53-A56 PolarHBondContact OD1-N 3.36Å; P54-A56 VanDerWaalsContact C-N 3.25Å; P54-A56 PolarHBondContact O-N 3.26Å; A56-E58 VanDerWaalsContact C-N 3.34Å; A56-E58 PolarHBondContact O-N 2.82Å; A56-T59 PolarHBondContact O-N 3.2Å; A56-F60 VanDerWaalsContact O-CB 3.32Å; A56-F60 WeakPolarHBondContact O-CB 3.41Å; A56-F60 PolarHBondContact O-N 2.77Å |
| 57 | A | 89.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P54 K61 | P54-A57 PolarHBondContact O-N 3.06Å; P54-A57 VanDerWaalsContact O-N 3.14Å; A57-K61 VanDerWaalsContact O-CG 3.26Å; A57-K61 WeakPolarHBondContact O-CG 3.42Å; A57-K61 PolarHBondContact O-N 3.34Å |
| 58 | E | 90.2 | Very high | 90.7 | Very high | 126 Ų | 126 | 81.1 Ų | 81.1 | 59% | 0.589 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.8 | -47.5 | 171.7 | -68.2 | -179.8 | 161.7 | 0 | 0 | 111.8 | P54 S55 A56 F60 K61 E62 | P54-E58 PolarHBondContact O-N 3.32Å; P54-E58 VanDerWaalsContact O-N 3.1Å; S55-E58 PolarHBondContact O-N 3.13Å; A56-E58 VanDerWaalsContact C-N 3.34Å; A56-E58 PolarHBondContact O-N 2.82Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 3.1Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.45Å; E58-K61 VanDerWaalsContact O-N 3.12Å; E58-E62 PolarHBondContact O-N 3.23Å; E58-E62 VanDerWaalsContact O-N 3.09Å |
| 59 | T | 90.5 | Very high | 90.7 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 177.3 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | F45 S55 A56 E62 I63 | F45-T59 HydrophobicContact CD1-CG2 3.87Å; F45-T59 HydrophobicContact CD2-CG2 4.04Å; F45-T59 HydrophobicContact CE1-CG2 3.9Å; F45-T59 HydrophobicContact CE2-CG2 4.08Å; F45-T59 HydrophobicContact CG-CG2 3.94Å; F45-T59 HydrophobicContact CZ-CG2 4.01Å; S55-T59 WeakPolarHBondContact O-CB 3.29Å; S55-T59 PolarHBondContact O-N 3.41Å; S55-T59 PolarHBondContact O-OG1 2.83Å; A56-T59 PolarHBondContact O-N 3.2Å; T59-E62 PolarHBondContact O-N 3.4Å; T59-I63 HydrophobicContact CG2-CD1 3.82Å; T59-I63 HydrophobicContact CG2-CG1 4.46Å; T59-I63 WeakPolarHBondContact O-CD1 3.37Å; T59-I63 VanDerWaalsContact O-CG1 3.26Å; T59-I63 WeakPolarHBondContact O-CG1 3.47Å; T59-I63 PolarHBondContact O-N 2.88Å |
| 60 | F | 92.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 69.6 Ų | 69.6 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 175.5 | -174.4 | -94.2 | 0 | 0 | 0 | 113.2 | A42 F45 A56 E58 E62 I63 N64 | A42-F60 HydrophobicContact CB-CE2 3.96Å; F45-F60 HydrophobicContact CB-CB 4.24Å; A56-F60 VanDerWaalsContact O-CB 3.32Å; A56-F60 WeakPolarHBondContact O-CB 3.41Å; A56-F60 PolarHBondContact O-N 2.77Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 3.1Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 2.86Å; F60-I63 PolarHBondContact O-N 3.38Å; F60-N64 WeakPolarHBondContact O-CB 3.44Å; F60-N64 PolarHBondContact O-N 3.33Å |
| 61 | K | 91.6 | Very high | 90.9 | Very high | 141 Ų | 141 | 69.3 Ų | 69.3 | 61% | 0.613 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 173.2 | -69.5 | 163.7 | -165.8 | 171.5 | 0 | 111 | A57 E58 R65 | A57-K61 VanDerWaalsContact O-CG 3.26Å; A57-K61 WeakPolarHBondContact O-CG 3.42Å; A57-K61 PolarHBondContact O-N 3.34Å; E58-K61 WeakPolarHBondContact O-CB 3.41Å; E58-K61 PolarHBondContact O-N 3.45Å; E58-K61 VanDerWaalsContact O-N 3.12Å; K61-R65 WeakPolarHBondContact O-CB 3.39Å; K61-R65 PolarHBondContact O-N 3.29Å |
| 62 | E | 91.5 | Very high | 91.2 | Very high | 108 Ų | 108 | 67.2 Ų | 67.2 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.1 | -43.5 | 178.8 | -156.7 | -179.6 | -164.5 | 0 | 0 | 112.1 | V22 E58 T59 F60 N64 R65 A66 | V22-E62 HydrophobicContact CG1-CB 4.26Å; V22-E62 HydrophobicContact CG1-CG 4.03Å; V22-E62 HydrophobicContact CG2-CG 3.84Å; E58-E62 PolarHBondContact O-N 3.23Å; E58-E62 VanDerWaalsContact O-N 3.09Å; T59-E62 PolarHBondContact O-N 3.4Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 2.86Å; E62-N64 PolarHBondContact O-N 3.31Å; E62-R65 PolarHBondContact O-N 2.98Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 2.6Å |
| 63 | I | 93.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 173.7 | -69.6 | 157.1 | 0 | 0 | 0 | 111.3 | V22 L23 Y38 L41 F45 T59 F60 A66 Y67 | V22-I63 HydrophobicContact CG1-CB 4.48Å; V22-I63 HydrophobicContact CG1-CG1 3.98Å; L23-I63 HydrophobicContact CD2-CG2 4.28Å; Y38-I63 HydrophobicContact CD2-CG2 3.67Å; Y38-I63 HydrophobicContact CE2-CG2 3.98Å; L41-I63 HydrophobicContact CB-CD1 3.83Å; L41-I63 HydrophobicContact CB-CG1 4.37Å; L41-I63 HydrophobicContact CB-CG2 4.19Å; F45-I63 HydrophobicContact CB-CD1 4.24Å; F45-I63 HydrophobicContact CD2-CD1 3.59Å; F45-I63 HydrophobicContact CE2-CD1 4.3Å; F45-I63 HydrophobicContact CG-CD1 4.14Å; T59-I63 HydrophobicContact CG2-CD1 3.82Å; T59-I63 HydrophobicContact CG2-CG1 4.46Å; T59-I63 WeakPolarHBondContact O-CD1 3.37Å; T59-I63 VanDerWaalsContact O-CG1 3.26Å; T59-I63 WeakPolarHBondContact O-CG1 3.47Å; T59-I63 PolarHBondContact O-N 2.88Å; F60-I63 PolarHBondContact O-N 3.38Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-Y67 WeakPolarHBondContact O-CB 3.44Å; I63-Y67 PolarHBondContact O-N 3.33Å |
| 64 | N | 93.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 178 | -176.6 | 17.9 | 0 | 0 | 0 | 111.6 | F60 E62 A66 Y67 R68 | F60-N64 WeakPolarHBondContact O-CB 3.44Å; F60-N64 PolarHBondContact O-N 3.33Å; E62-N64 PolarHBondContact O-N 3.31Å; N64-A66 PolarHBondContact O-N 3.17Å; N64-Y67 PolarHBondContact O-N 3.33Å; N64-R68 WeakPolarHBondContact O-CG 3.42Å; N64-R68 PolarHBondContact O-N 3.36Å |
| 65 | R | 91.7 | Very high | 91.6 | Very high | 145 Ų | 145 | 62.3 Ų | 62.3 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.1 | -50.3 | 174.8 | -173 | 179.5 | -170.6 | -154.4 | 5.1 | 111 | K61 E62 Y67 R68 I69 E91 | K61-R65 WeakPolarHBondContact O-CB 3.39Å; K61-R65 PolarHBondContact O-N 3.29Å; E62-R65 PolarHBondContact O-N 2.98Å; R65-Y67 PolarHBondContact O-N 3.16Å; R65-R68 PolarHBondContact O-N 3.43Å; R65-I69 HydrophobicContact CG-CD1 3.73Å; R65-I69 VanDerWaalsContact O-CD1 3.26Å; R65-I69 WeakPolarHBondContact O-CD1 3.45Å; R65-I69 WeakPolarHBondContact O-CG1 3.29Å; R65-I69 PolarHBondContact O-N 3.4Å; R65-E91 IonicContact NH2-OE2 3.59Å |
| 66 | A | 92.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | L19 V22 L23 E62 I63 N64 I69 L70 | L19-A66 HydrophobicContact CB-CB 4.06Å; L19-A66 HydrophobicContact CD2-CB 4.47Å; L19-A66 HydrophobicContact CG-CB 3.84Å; V22-A66 HydrophobicContact CB-CB 4.3Å; V22-A66 HydrophobicContact CG1-CB 3.97Å; L23-A66 HydrophobicContact CD1-CB 3.85Å; L23-A66 HydrophobicContact CG-CB 4.13Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 2.6Å; I63-A66 PolarHBondContact O-N 2.98Å; N64-A66 PolarHBondContact O-N 3.17Å; A66-I69 PolarHBondContact O-N 3.25Å; A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 2.93Å; A66-L70 VanDerWaalsContact O-N 3.13Å |
| 67 | Y | 94.2 | Very high | 91.6 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 19% | 0.192 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 177.6 | 178.1 | -109.3 | 0 | 0 | 0 | 112 | R35 Y38 I63 N64 R65 I69 L70 T71 | R35-Y67 HydrophobicContact CG-CE2 4.09Å; Y38-Y67 AromaticContact CD1-CD1 3.95Å; Y38-Y67 HydrophobicContact CD1-CD1 3.95Å; Y38-Y67 HydrophobicContact CD1-CD2 4.14Å; Y38-Y67 AromaticContact CD1-CE1 3.95Å; Y38-Y67 HydrophobicContact CD1-CE1 3.95Å; Y38-Y67 HydrophobicContact CD1-CE2 4.13Å; Y38-Y67 HydrophobicContact CD1-CG 4.05Å; Y38-Y67 AromaticContact CD2-CD1 3.95Å; Y38-Y67 HydrophobicContact CD2-CD1 3.95Å; Y38-Y67 HydrophobicContact CD2-CD2 4.05Å; Y38-Y67 AromaticContact CD2-CG 3.56Å; Y38-Y67 HydrophobicContact CD2-CG 3.56Å; Y38-Y67 HydrophobicContact CE1-CD1 4.01Å; Y38-Y67 HydrophobicContact CE1-CE1 4.06Å; Y38-Y67 HydrophobicContact CE1-CG 4.49Å; Y38-Y67 HydrophobicContact CE2-CD1 4.02Å; Y38-Y67 HydrophobicContact CE2-CG 4.05Å; Y38-Y67 AromaticContact CG-CD1 3.93Å; Y38-Y67 HydrophobicContact CG-CD1 3.93Å; Y38-Y67 AromaticContact CG-CD2 3.62Å; Y38-Y67 HydrophobicContact CG-CD2 3.62Å; Y38-Y67 HydrophobicContact CG-CE1 4.32Å; Y38-Y67 HydrophobicContact CG-CE2 4.04Å; Y38-Y67 AromaticContact CG-CG 3.56Å; Y38-Y67 HydrophobicContact CG-CG 3.56Å; I63-Y67 WeakPolarHBondContact O-CB 3.44Å; I63-Y67 PolarHBondContact O-N 3.33Å; N64-Y67 PolarHBondContact O-N 3.33Å; R65-Y67 PolarHBondContact O-N 3.16Å; Y67-I69 VanDerWaalsContact C-N 3.27Å; Y67-I69 PolarHBondContact O-N 3.46Å; Y67-L70 PolarHBondContact O-N 3.11Å; Y67-T71 WeakPolarHBondContact CE2-OG1 3.18Å; Y67-T71 WeakPolarHBondContact O-CB 3.47Å; Y67-T71 PolarHBondContact O-N 2.94Å; Y67-T71 PolarHBondContact O-OG1 3.13Å |
| 68 | R | 92.6 | Very high | 91.6 | Very high | 162 Ų | 162 | 62.2 Ų | 62.2 | 61% | 0.611 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.6 | -43.3 | 178.3 | -71.4 | 177.5 | 68.5 | -161.3 | -0.3 | 112.5 | N64 R65 D72 | N64-R68 WeakPolarHBondContact O-CG 3.42Å; N64-R68 PolarHBondContact O-N 3.36Å; R65-R68 PolarHBondContact O-N 3.43Å; R68-D72 PolarHBondContact O-N 3.09Å |
| 69 | I | 91.4 | Very high | 91.5 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.5 | -31.7 | -176.5 | -65 | 158.5 | 0 | 0 | 0 | 112.7 | L19 R65 A66 Y67 K75 R76 L87 | L19-I69 HydrophobicContact CD2-CB 3.6Å; L19-I69 HydrophobicContact CD2-CD1 3.84Å; L19-I69 HydrophobicContact CD2-CG1 4.35Å; L19-I69 HydrophobicContact CD2-CG2 3.41Å; L19-I69 VanDerWaalsContact CD2-CG2 3.41Å; R65-I69 HydrophobicContact CG-CD1 3.73Å; R65-I69 VanDerWaalsContact O-CD1 3.26Å; R65-I69 WeakPolarHBondContact O-CD1 3.45Å; R65-I69 WeakPolarHBondContact O-CG1 3.29Å; R65-I69 PolarHBondContact O-N 3.4Å; A66-I69 PolarHBondContact O-N 3.25Å; Y67-I69 VanDerWaalsContact C-N 3.27Å; Y67-I69 PolarHBondContact O-N 3.46Å; I69-K75 HydrophobicContact CG2-CB 4.23Å; I69-R76 PolarHBondContact O-N 3.23Å; I69-L87 HydrophobicContact CD1-CD1 4.08Å; I69-L87 HydrophobicContact CD1-CD2 3.51Å; I69-L87 HydrophobicContact CD1-CG 4.44Å; I69-L87 HydrophobicContact CG1-CD1 3.99Å; I69-L87 HydrophobicContact CG1-CD2 4.34Å; I69-L87 HydrophobicContact CG2-CD1 3.93Å |
| 70 | L | 91.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -90.9 | -17.4 | -179.9 | -62.8 | -177 | 0 | 0 | 0 | 114 | L19 F20 L23 L34 A66 Y67 R76 Y79 | L19-L70 HydrophobicContact CB-CD1 4.08Å; L19-L70 HydrophobicContact CB-CD2 4.5Å; L19-L70 HydrophobicContact CB-CG 4.29Å; L19-L70 HydrophobicContact CD2-CD2 4.33Å; L19-L70 HydrophobicContact CD2-CG 4.23Å; F20-L70 HydrophobicContact CD1-CD1 3.85Å; F20-L70 HydrophobicContact CD2-CD1 4.36Å; F20-L70 HydrophobicContact CE1-CD1 3.83Å; F20-L70 HydrophobicContact CE1-CD2 4.27Å; F20-L70 HydrophobicContact CE2-CD1 4.35Å; F20-L70 HydrophobicContact CE2-CD2 3.91Å; F20-L70 HydrophobicContact CG-CD1 4.12Å; F20-L70 HydrophobicContact CZ-CD1 4.09Å; F20-L70 HydrophobicContact CZ-CD2 3.73Å; L23-L70 HydrophobicContact CD1-CD1 3.95Å; L34-L70 HydrophobicContact CD1-CB 3.58Å; L34-L70 WeakPolarHBondContact CD1-O 3.15Å; L34-L70 HydrophobicContact CD2-CD1 4.13Å; A66-L70 WeakPolarHBondContact O-CG 3.48Å; A66-L70 PolarHBondContact O-N 2.93Å; A66-L70 VanDerWaalsContact O-N 3.13Å; Y67-L70 PolarHBondContact O-N 3.11Å; L70-R76 HydrophobicContact CD2-CG 4.13Å; L70-Y79 HydrophobicContact CD2-CD1 4.14Å |
| 71 | T | 92 | Very high | 91 | Very high | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.8 | -42.1 | 168.4 | -76.5 | 0 | 0 | 0 | 0 | 111.5 | Y67 P73 | Y67-T71 WeakPolarHBondContact CE2-OG1 3.18Å; Y67-T71 WeakPolarHBondContact O-CB 3.47Å; Y67-T71 PolarHBondContact O-N 2.94Å; Y67-T71 PolarHBondContact O-OG1 3.13Å; T71-P73 VanDerWaalsContact O-CD 3.32Å; T71-P73 WeakPolarHBondContact O-CD 3.4Å |
| 72 | D | 92.1 | Very high | 90.7 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -70.7 | 112.4 | 177.3 | -69.9 | -31.4 | 0 | 0 | 0 | 110.2 | R68 V74 K75 R76 | R68-D72 PolarHBondContact O-N 3.09Å; D72-V74 VanDerWaalsContact C-N 3.28Å; D72-V74 PolarHBondContact O-N 3.39Å; D72-K75 HydrophobicContact CB-CB 4.02Å; D72-K75 HydrophobicContact CB-CD 3.81Å; D72-K75 HydrophobicContact CB-CG 3.9Å; D72-K75 PolarHBondContact O-N 3.47Å; D72-K75 WeakPolarHBondContact OD2-CD 3.44Å; D72-K75 WeakPolarHBondContact OD2-CE 3.41Å; D72-K75 IonicContact OD2-NZ 2.78Å; D72-K75 PolarHBondContact OD2-NZ 2.87Å; D72-R76 WeakPolarHBondContact O-CB 3.47Å; D72-R76 PolarHBondContact O-N 3.18Å |
| 73 | P | 91.5 | Very high | 90.5 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 66% | 0.656 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -65.8 | -31.4 | -169.4 | 25.1 | -34.2 | 0 | 0 | 0 | 113 | T71 S77 | T71-P73 VanDerWaalsContact O-CD 3.32Å; T71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-S77 WeakPolarHBondContact O-CB 3.47Å; P73-S77 PolarHBondContact O-N 3.33Å |
| 74 | V | 90.9 | Very high | 90.2 | Very high | 73 Ų | 73 | 57.2 Ų | 57.2 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.3 | -54.4 | 177 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | D72 R76 S77 I78 E95 | D72-V74 VanDerWaalsContact C-N 3.28Å; D72-V74 PolarHBondContact O-N 3.39Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.41Å; V74-S77 WeakPolarHBondContact O-CB 3.23Å; V74-S77 PolarHBondContact O-N 3.32Å; V74-S77 PolarHBondContact O-OG 3.33Å; V74-I78 HydrophobicContact CG1-CD1 3.94Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.35Å; V74-E95 VanDerWaalsContact CB-OE2 3.3Å; V74-E95 WeakPolarHBondContact CB-OE2 3.42Å; V74-E95 HydrophobicContact CG1-CB 3.83Å; V74-E95 HydrophobicContact CG1-CG 4.48Å; V74-E95 WeakPolarHBondContact CG1-OE2 3.42Å |
| 75 | K | 90.9 | Very high | 89.9 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 175.4 | -56.8 | -179.2 | -168.1 | 153.8 | 0 | 112.7 | I69 D72 I78 Y79 E95 | I69-K75 HydrophobicContact CG2-CB 4.23Å; D72-K75 HydrophobicContact CB-CB 4.02Å; D72-K75 HydrophobicContact CB-CD 3.81Å; D72-K75 HydrophobicContact CB-CG 3.9Å; D72-K75 PolarHBondContact O-N 3.47Å; D72-K75 WeakPolarHBondContact OD2-CD 3.44Å; D72-K75 WeakPolarHBondContact OD2-CE 3.41Å; D72-K75 IonicContact OD2-NZ 2.78Å; D72-K75 PolarHBondContact OD2-NZ 2.87Å; K75-I78 PolarHBondContact O-N 3.34Å; K75-Y79 WeakPolarHBondContact O-CB 3.34Å; K75-Y79 PolarHBondContact O-N 3.4Å; K75-E95 WeakPolarHBondContact CE-OE1 3.23Å; K75-E95 HydrophobicContact CG-CG 4.27Å; K75-E95 VanDerWaalsContact CG-OE2 3.24Å; K75-E95 WeakPolarHBondContact CG-OE2 3.5Å; K75-E95 IonicContact NZ-OE1 3.21Å |
| 76 | R | 90.9 | Very high | 89.7 | Confident | 40 Ų | 40 | 51 Ų | 51 | 15% | 0.151 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 172 | 179.8 | 174.7 | 172.5 | 162.3 | -1.1 | 111.1 | G28 A29 I69 L70 D72 V74 I78 Y79 E80 | G28-R76 PolarHBondContact O-NH2 3.31Å; A29-R76 PolarHBondContact O-NH1 2.94Å; A29-R76 PolarHBondContact O-NH2 3.47Å; I69-R76 PolarHBondContact O-N 3.23Å; L70-R76 HydrophobicContact CD2-CG 4.13Å; D72-R76 WeakPolarHBondContact O-CB 3.47Å; D72-R76 PolarHBondContact O-N 3.18Å; V74-R76 VanDerWaalsContact C-N 3.32Å; V74-R76 PolarHBondContact O-N 3.41Å; R76-I78 VanDerWaalsContact C-N 3.31Å; R76-I78 PolarHBondContact O-N 2.81Å; R76-Y79 PolarHBondContact O-N 2.73Å; R76-E80 HydrophobicContact CG-CG 4.39Å; R76-E80 IonicContact CZ-OE1 3.4Å; R76-E80 IonicContact NE-OE1 2.78Å; R76-E80 PolarHBondContact NE-OE1 3.33Å; R76-E80 IonicContact NH2-OE1 3.15Å; R76-E80 PolarHBondContact NH2-OE1 3.39Å; R76-E80 VanDerWaalsContact NH2-OE1 3.15Å; R76-E80 WeakPolarHBondContact O-CB 3.36Å; R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 3.28Å |
| 77 | S | 89 | Confident | 89.5 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 30% | 0.301 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -34.2 | 178.6 | 83.3 | 0 | 0 | 0 | 0 | 113.1 | P73 V74 K81 | P73-S77 WeakPolarHBondContact O-CB 3.47Å; P73-S77 PolarHBondContact O-N 3.33Å; V74-S77 WeakPolarHBondContact O-CB 3.23Å; V74-S77 PolarHBondContact O-N 3.32Å; V74-S77 PolarHBondContact O-OG 3.33Å; S77-K81 WeakPolarHBondContact O-CB 3.44Å; S77-K81 WeakPolarHBondContact O-CD 3.32Å; S77-K81 VanDerWaalsContact O-CG 3.24Å; S77-K81 WeakPolarHBondContact O-CG 3.44Å; S77-K81 PolarHBondContact O-N 3.5Å |
| 78 | I | 89 | Confident | 89.2 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 175.1 | -71.5 | 163.2 | 0 | 0 | 0 | 110.2 | V74 K75 R76 K81 Y82 G86 A90 E95 V98 | V74-I78 HydrophobicContact CG1-CD1 3.94Å; V74-I78 WeakPolarHBondContact O-CG1 3.47Å; V74-I78 PolarHBondContact O-N 3.35Å; K75-I78 PolarHBondContact O-N 3.34Å; R76-I78 VanDerWaalsContact C-N 3.31Å; R76-I78 PolarHBondContact O-N 2.81Å; I78-K81 PolarHBondContact O-N 3.46Å; I78-Y82 HydrophobicContact CG2-CD2 4.27Å; I78-Y82 WeakPolarHBondContact O-CB 3.42Å; I78-Y82 WeakPolarHBondContact O-CD2 2.77Å; I78-Y82 PolarHBondContact O-N 2.91Å; I78-G86 WeakPolarHBondContact CG2-O 3.45Å; I78-A90 HydrophobicContact CD1-CB 4.32Å; I78-E95 HydrophobicContact CD1-CB 3.95Å; I78-E95 HydrophobicContact CD1-CG 4.28Å; I78-V98 HydrophobicContact CD1-CB 4.43Å; I78-V98 HydrophobicContact CD1-CG2 4.1Å; I78-V98 HydrophobicContact CG2-CG1 3.99Å |
| 79 | Y | 88.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -39.2 | 178.3 | 178.8 | -103.5 | 0 | 0 | 0 | 112.6 | G16 E17 S18 L19 F20 L70 K75 R76 K81 G83 | G16-Y79 VanDerWaalsContact CA-CZ 3.48Å; G16-Y79 WeakPolarHBondContact CA-OH 3.32Å; G16-Y79 WeakPolarHBondContact O-CE1 3.33Å; E17-Y79 PolarHBondContact N-OH 2.95Å; S18-Y79 PolarHBondContact N-OH 3.15Å; S18-Y79 VanDerWaalsContact N-OH 3.1Å; S18-Y79 PolarHBondContact OG-OH 3.07Å; L19-Y79 HydrophobicContact CB-CE1 3.88Å; L19-Y79 HydrophobicContact CD1-CD2 4.47Å; L19-Y79 HydrophobicContact CD1-CE1 4.42Å; L19-Y79 HydrophobicContact CD1-CE2 3.74Å; L19-Y79 HydrophobicContact CD2-CD1 4.43Å; L19-Y79 HydrophobicContact CD2-CE1 4.37Å; L19-Y79 HydrophobicContact CD2-CE2 4.46Å; L19-Y79 HydrophobicContact CD2-CG 4.5Å; L19-Y79 HydrophobicContact CG-CE1 4.44Å; L19-Y79 PolarHBondContact N-OH 3.03Å; F20-Y79 HydrophobicContact CD2-CE1 4.05Å; F20-Y79 HydrophobicContact CE2-CD1 4.15Å; F20-Y79 AromaticContact CE2-CE1 3.92Å; F20-Y79 HydrophobicContact CE2-CE1 3.92Å; L70-Y79 HydrophobicContact CD2-CD1 4.14Å; K75-Y79 WeakPolarHBondContact O-CB 3.34Å; K75-Y79 PolarHBondContact O-N 3.4Å; R76-Y79 PolarHBondContact O-N 2.73Å; Y79-K81 VanDerWaalsContact C-N 3.29Å; Y79-K81 PolarHBondContact O-N 2.78Å; Y79-G83 VanDerWaalsContact CD2-C 3.48Å; Y79-G83 WeakPolarHBondContact CD2-O 3.37Å; Y79-G83 VanDerWaalsContact O-CA 3.23Å; Y79-G83 WeakPolarHBondContact O-CA 3.34Å; Y79-G83 PolarHBondContact O-N 3.13Å |
| 80 | E | 87.5 | Confident | 88.8 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 35% | 0.346 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.7 | -27.7 | 176.3 | -75.3 | 179.4 | -178.5 | 0 | 0 | 112.9 | F20 R76 | F20-E80 HydrophobicContact CE2-CG 4.36Å; F20-E80 HydrophobicContact CZ-CG 4.28Å; R76-E80 HydrophobicContact CG-CG 4.39Å; R76-E80 IonicContact CZ-OE1 3.4Å; R76-E80 IonicContact NE-OE1 2.78Å; R76-E80 PolarHBondContact NE-OE1 3.33Å; R76-E80 IonicContact NH2-OE1 3.15Å; R76-E80 PolarHBondContact NH2-OE1 3.39Å; R76-E80 VanDerWaalsContact NH2-OE1 3.15Å; R76-E80 WeakPolarHBondContact O-CB 3.36Å; R76-E80 WeakPolarHBondContact O-CG 3.49Å; R76-E80 PolarHBondContact O-N 3.28Å |
| 81 | K | 85.8 | Confident | 88.6 | Confident | 152 Ų | 152 | 50.9 Ų | 50.9 | 66% | 0.661 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -89 | -42.1 | 177 | -72.9 | 171.7 | -177.6 | 173.3 | 0 | 114.5 | S77 I78 Y79 | S77-K81 WeakPolarHBondContact O-CB 3.44Å; S77-K81 WeakPolarHBondContact O-CD 3.32Å; S77-K81 VanDerWaalsContact O-CG 3.24Å; S77-K81 WeakPolarHBondContact O-CG 3.44Å; S77-K81 PolarHBondContact O-N 3.5Å; I78-K81 PolarHBondContact O-N 3.46Å; Y79-K81 VanDerWaalsContact C-N 3.29Å; Y79-K81 PolarHBondContact O-N 2.78Å |
| 82 | Y | 85.5 | Confident | 88.4 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -126 | 4.4 | -165.3 | -53.2 | -71.4 | 0 | 0 | 0 | 113.9 | I78 G86 V98 N99 F102 | I78-Y82 HydrophobicContact CG2-CD2 4.27Å; I78-Y82 WeakPolarHBondContact O-CB 3.42Å; I78-Y82 WeakPolarHBondContact O-CD2 2.77Å; I78-Y82 PolarHBondContact O-N 2.91Å; Y82-G86 PolarHBondContact O-N 2.68Å; Y82-V98 HydrophobicContact CD2-CG1 4.19Å; Y82-V98 HydrophobicContact CE2-CG1 4.26Å; Y82-N99 PolarHBondContact OH-OD1 3.15Å; Y82-F102 HydrophobicContact CD1-CB 4.5Å; Y82-F102 HydrophobicContact CD1-CD1 4.02Å; Y82-F102 AromaticContact CD1-CD2 3.39Å; Y82-F102 HydrophobicContact CD1-CD2 3.39Å; Y82-F102 HydrophobicContact CD1-CE1 4.03Å; Y82-F102 AromaticContact CD1-CE2 3.4Å; Y82-F102 HydrophobicContact CD1-CE2 3.4Å; Y82-F102 VanDerWaalsContact CD1-CE2 3.4Å; Y82-F102 AromaticContact CD1-CG 3.72Å; Y82-F102 HydrophobicContact CD1-CG 3.72Å; Y82-F102 AromaticContact CD1-CZ 3.74Å; Y82-F102 HydrophobicContact CD1-CZ 3.74Å; Y82-F102 AromaticContact CD2-CD2 3.91Å; Y82-F102 HydrophobicContact CD2-CD2 3.91Å; Y82-F102 AromaticContact CD2-CE2 3.75Å; Y82-F102 HydrophobicContact CD2-CE2 3.75Å; Y82-F102 HydrophobicContact CE1-CB 3.78Å; Y82-F102 HydrophobicContact CE1-CD1 4.13Å; Y82-F102 AromaticContact CE1-CD2 3.33Å; Y82-F102 HydrophobicContact CE1-CD2 3.33Å; Y82-F102 AromaticContact CE1-CE2 3.88Å; Y82-F102 HydrophobicContact CE1-CE2 3.88Å; Y82-F102 AromaticContact CE1-CG 3.48Å; Y82-F102 HydrophobicContact CE1-CG 3.48Å; Y82-F102 VanDerWaalsContact CE1-CG 3.48Å; Y82-F102 HydrophobicContact CE1-CZ 4.48Å; Y82-F102 AromaticContact CE2-CD2 3.85Å; Y82-F102 HydrophobicContact CE2-CD2 3.85Å; Y82-F102 HydrophobicContact CE2-CE2 4.18Å; Y82-F102 AromaticContact CG-CD2 3.68Å; Y82-F102 HydrophobicContact CG-CD2 3.68Å; Y82-F102 AromaticContact CG-CE2 3.32Å; Y82-F102 HydrophobicContact CG-CE2 3.32Å; Y82-F102 HydrophobicContact CG-CG 4.44Å; Y82-F102 AromaticContact CG-CZ 3.83Å; Y82-F102 HydrophobicContact CG-CZ 3.83Å; Y82-F102 AromaticContact CZ-CD2 3.56Å |
| 83 | G | 86.9 | Confident | 88 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | 60.9 | -150.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y79 V85 G86 | Y79-G83 VanDerWaalsContact CD2-C 3.48Å; Y79-G83 WeakPolarHBondContact CD2-O 3.37Å; Y79-G83 VanDerWaalsContact O-CA 3.23Å; Y79-G83 WeakPolarHBondContact O-CA 3.34Å; Y79-G83 PolarHBondContact O-N 3.13Å; G83-V85 PolarHBondContact O-N 2.86Å; G83-G86 PolarHBondContact O-N 3.32Å |
| 84 | S | 86.5 | Confident | 87.7 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -27.9 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | L87 S88 | S84-L87 PolarHBondContact O-N 2.82Å; S84-S88 PolarHBondContact O-N 2.88Å; S84-S88 VanDerWaalsContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 2.74Å |
| 85 | V | 86.2 | Confident | 87.4 | Confident | 72 Ų | 72 | 54 Ų | 54 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -48.4 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | G83 L87 S88 I89 F102 | G83-V85 PolarHBondContact O-N 2.86Å; V85-L87 VanDerWaalsContact C-N 3.27Å; V85-L87 PolarHBondContact O-N 3.24Å; V85-S88 PolarHBondContact O-N 2.89Å; V85-S88 VanDerWaalsContact O-N 3.13Å; V85-S88 PolarHBondContact O-OG 2.72Å; V85-I89 HydrophobicContact CG1-CD1 3.97Å; V85-I89 WeakPolarHBondContact O-CD1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.32Å; V85-I89 PolarHBondContact O-N 3.48Å; V85-I89 VanDerWaalsContact O-N 3.11Å; V85-F102 HydrophobicContact CG1-CZ 4.15Å |
| 86 | G | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -35.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I78 Y82 G83 I89 A90 | I78-G86 WeakPolarHBondContact CG2-O 3.45Å; Y82-G86 PolarHBondContact O-N 2.68Å; G83-G86 PolarHBondContact O-N 3.32Å; G86-I89 PolarHBondContact O-N 2.73Å; G86-A90 PolarHBondContact O-N 3.08Å |
| 87 | L | 88.5 | Confident | 86.7 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 173.5 | 179.1 | 72.4 | 0 | 0 | 0 | 112 | I69 S84 V85 I89 A90 E91 | I69-L87 HydrophobicContact CD1-CD1 4.08Å; I69-L87 HydrophobicContact CD1-CD2 3.51Å; I69-L87 HydrophobicContact CD1-CG 4.44Å; I69-L87 HydrophobicContact CG1-CD1 3.99Å; I69-L87 HydrophobicContact CG1-CD2 4.34Å; I69-L87 HydrophobicContact CG2-CD1 3.93Å; S84-L87 PolarHBondContact O-N 2.82Å; V85-L87 VanDerWaalsContact C-N 3.27Å; V85-L87 PolarHBondContact O-N 3.24Å; L87-I89 PolarHBondContact O-N 2.85Å; L87-A90 WeakPolarHBondContact O-CB 3.5Å; L87-A90 PolarHBondContact O-N 3.41Å; L87-E91 WeakPolarHBondContact O-CB 3.24Å; L87-E91 PolarHBondContact O-N 3.04Å |
| 88 | S | 87.7 | Confident | 86.5 | Confident | 48 Ų | 48 | 57.4 Ų | 57.4 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.6 | -28.3 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | S84 V85 Q92 | S84-S88 PolarHBondContact O-N 2.88Å; S84-S88 VanDerWaalsContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 2.74Å; V85-S88 PolarHBondContact O-N 2.89Å; V85-S88 VanDerWaalsContact O-N 3.13Å; V85-S88 PolarHBondContact O-OG 2.72Å; S88-Q92 VanDerWaalsContact O-CG 3.29Å; S88-Q92 WeakPolarHBondContact O-CG 3.36Å; S88-Q92 PolarHBondContact O-N 3.49Å |
| 89 | I | 87.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.7 | -40.9 | 173.5 | -61.8 | 156.1 | 0 | 0 | 0 | 110 | V85 G86 L87 E91 Q92 F93 V98 Y101 F102 | V85-I89 HydrophobicContact CG1-CD1 3.97Å; V85-I89 WeakPolarHBondContact O-CD1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.32Å; V85-I89 PolarHBondContact O-N 3.48Å; V85-I89 VanDerWaalsContact O-N 3.11Å; G86-I89 PolarHBondContact O-N 2.73Å; L87-I89 PolarHBondContact O-N 2.85Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 3.25Å; I89-Q92 PolarHBondContact O-N 3.37Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 PolarHBondContact O-N 3.26Å; I89-V98 HydrophobicContact CB-CG1 4.35Å; I89-V98 HydrophobicContact CB-CG2 4.37Å; I89-V98 HydrophobicContact CG2-CB 4.34Å; I89-V98 HydrophobicContact CG2-CG1 4.25Å; I89-V98 HydrophobicContact CG2-CG2 4.06Å; I89-Y101 HydrophobicContact CD1-CD1 3.54Å; I89-Y101 HydrophobicContact CD1-CE1 3.58Å; I89-Y101 HydrophobicContact CD1-CG 4.42Å; I89-Y101 HydrophobicContact CG1-CD1 4.18Å; I89-Y101 HydrophobicContact CG1-CE1 4.17Å; I89-Y101 HydrophobicContact CG2-CD1 4.1Å; I89-Y101 HydrophobicContact CG2-CD2 4.4Å; I89-Y101 HydrophobicContact CG2-CG 3.9Å; I89-F102 HydrophobicContact CD1-CD2 4.45Å; I89-F102 HydrophobicContact CD1-CE1 4.14Å; I89-F102 HydrophobicContact CD1-CE2 3.61Å; I89-F102 HydrophobicContact CD1-CZ 3.43Å; I89-F102 VanDerWaalsContact CD1-CZ 3.43Å |
| 90 | A | 88.5 | Confident | 86.1 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I78 G86 L87 Q92 G94 E95 V98 | I78-A90 HydrophobicContact CD1-CB 4.32Å; G86-A90 PolarHBondContact O-N 3.08Å; L87-A90 WeakPolarHBondContact O-CB 3.5Å; L87-A90 PolarHBondContact O-N 3.41Å; A90-Q92 PolarHBondContact O-N 2.85Å; A90-G94 CarbonylContact O-C 3.56Å; A90-G94 WeakPolarHBondContact O-CA 3.29Å; A90-G94 PolarHBondContact O-N 3.4Å; A90-G94 VanDerWaalsContact O-N 3.13Å; A90-E95 HydrophobicContact CB-CG 4.1Å; A90-V98 VanDerWaalsContact CA-CG2 3.45Å; A90-V98 HydrophobicContact CB-CG2 3.67Å |
| 91 | E | 87.4 | Confident | 85.9 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.6 | -18.2 | 179.6 | -168.5 | 164 | -159.1 | 0 | 0 | 113.1 | R65 L87 I89 | R65-E91 IonicContact NH2-OE2 3.59Å; L87-E91 WeakPolarHBondContact O-CB 3.24Å; L87-E91 PolarHBondContact O-N 3.04Å; I89-E91 VanDerWaalsContact C-N 3.3Å; I89-E91 PolarHBondContact O-N 3.25Å |
| 92 | Q | 87.1 | Confident | 85.8 | Confident | 145 Ų | 145 | 61.7 Ų | 61.7 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -104.8 | -37.6 | -180 | -71.3 | 174.8 | 21.2 | 0 | 0 | 114.3 | S88 I89 A90 | S88-Q92 VanDerWaalsContact O-CG 3.29Å; S88-Q92 WeakPolarHBondContact O-CG 3.36Å; S88-Q92 PolarHBondContact O-N 3.49Å; I89-Q92 PolarHBondContact O-N 3.37Å; I89-Q92 VanDerWaalsContact O-N 3.16Å; A90-Q92 PolarHBondContact O-N 2.85Å |
| 93 | F | 83.4 | Confident | 85.7 | Confident | 108 Ų | 108 | 62.9 Ų | 62.9 | 47% | 0.474 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -117.4 | -2.7 | -169.2 | -65.8 | -84.1 | 0 | 0 | 0 | 114.3 | I89 N97 | I89-F93 HydrophobicContact CG2-CD2 3.91Å; I89-F93 PolarHBondContact O-N 3.26Å; F93-N97 HydrophobicContact CB-CB 4.15Å; F93-N97 WeakPolarHBondContact O-CB 3.32Å; F93-N97 PolarHBondContact O-ND2 2.94Å |
| 94 | G | 86.3 | Confident | 85.4 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | trans | 88.9 | 152.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A90 E96 N97 V98 | A90-G94 CarbonylContact O-C 3.56Å; A90-G94 WeakPolarHBondContact O-CA 3.29Å; A90-G94 PolarHBondContact O-N 3.4Å; A90-G94 VanDerWaalsContact O-N 3.13Å; G94-E96 VanDerWaalsContact C-N 3.35Å; G94-E96 PolarHBondContact O-N 2.76Å; G94-N97 PolarHBondContact O-N 3.04Å; G94-V98 WeakPolarHBondContact O-CG2 3.19Å | ||
| 95 | E | 84.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 29% | 0.285 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.8 | -172.9 | -68.4 | 172.9 | -130.8 | 0 | 0 | 112.3 | V74 K75 I78 A90 V98 | V74-E95 VanDerWaalsContact CB-OE2 3.3Å; V74-E95 WeakPolarHBondContact CB-OE2 3.42Å; V74-E95 HydrophobicContact CG1-CB 3.83Å; V74-E95 HydrophobicContact CG1-CG 4.48Å; V74-E95 WeakPolarHBondContact CG1-OE2 3.42Å; K75-E95 WeakPolarHBondContact CE-OE1 3.23Å; K75-E95 HydrophobicContact CG-CG 4.27Å; K75-E95 VanDerWaalsContact CG-OE2 3.24Å; K75-E95 WeakPolarHBondContact CG-OE2 3.5Å; K75-E95 IonicContact NZ-OE1 3.21Å; I78-E95 HydrophobicContact CD1-CB 3.95Å; I78-E95 HydrophobicContact CD1-CG 4.28Å; A90-E95 HydrophobicContact CB-CG 4.1Å; E95-V98 WeakPolarHBondContact O-CG2 3.4Å |
| 96 | E | 82.3 | Confident | 85 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -35.6 | 176.7 | 70.5 | -75.2 | -173.7 | 0 | 0 | 112.7 | G94 V98 | G94-E96 VanDerWaalsContact C-N 3.35Å; G94-E96 PolarHBondContact O-N 2.76Å; E96-V98 VanDerWaalsContact C-N 3.35Å; E96-V98 PolarHBondContact O-N 2.86Å |
| 97 | N | 84.9 | Confident | 84.7 | Confident | 69 Ų | 69 | 76.7 Ų | 76.7 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82.2 | -11.5 | -175.4 | -66.9 | -53.3 | 0 | 0 | 0 | 113.4 | F93 G94 N99 T100 Y101 | F93-N97 HydrophobicContact CB-CB 4.15Å; F93-N97 WeakPolarHBondContact O-CB 3.32Å; F93-N97 PolarHBondContact O-ND2 2.94Å; G94-N97 PolarHBondContact O-N 3.04Å; N97-N99 PolarHBondContact O-N 3.37Å; N97-T100 WeakPolarHBondContact O-CB 3.42Å; N97-T100 PolarHBondContact O-N 3.02Å; N97-Y101 WeakPolarHBondContact O-CB 3.18Å; N97-Y101 PolarHBondContact O-N 3.44Å |
| 98 | V | 85.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 86.2 Ų | 86.2 | 1% | 0.006 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 179 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | I78 Y82 I89 A90 G94 E95 E96 Y101 F102 | I78-V98 HydrophobicContact CD1-CB 4.43Å; I78-V98 HydrophobicContact CD1-CG2 4.1Å; I78-V98 HydrophobicContact CG2-CG1 3.99Å; Y82-V98 HydrophobicContact CD2-CG1 4.19Å; Y82-V98 HydrophobicContact CE2-CG1 4.26Å; I89-V98 HydrophobicContact CB-CG1 4.35Å; I89-V98 HydrophobicContact CB-CG2 4.37Å; I89-V98 HydrophobicContact CG2-CB 4.34Å; I89-V98 HydrophobicContact CG2-CG1 4.25Å; I89-V98 HydrophobicContact CG2-CG2 4.06Å; A90-V98 VanDerWaalsContact CA-CG2 3.45Å; A90-V98 HydrophobicContact CB-CG2 3.67Å; G94-V98 WeakPolarHBondContact O-CG2 3.19Å; E95-V98 WeakPolarHBondContact O-CG2 3.4Å; E96-V98 VanDerWaalsContact C-N 3.35Å; E96-V98 PolarHBondContact O-N 2.86Å; V98-Y101 PolarHBondContact O-N 3.02Å; V98-F102 HydrophobicContact CG1-CD2 3.73Å; V98-F102 HydrophobicContact CG1-CE2 3.58Å; V98-F102 VanDerWaalsContact O-CD2 3.23Å; V98-F102 WeakPolarHBondContact O-CD2 3.4Å; V98-F102 PolarHBondContact O-N 3.31Å |
| 99 | N | 83.2 | Confident | 84 | Confident | 97 Ų | 97 | 85.1 Ų | 85.1 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.3 | -171.4 | 30.4 | 0 | 0 | 0 | 110.6 | Y82 N97 Y101 F102 V103 | Y82-N99 PolarHBondContact OH-OD1 3.15Å; N97-N99 PolarHBondContact O-N 3.37Å; N99-Y101 VanDerWaalsContact C-N 3.34Å; N99-Y101 PolarHBondContact O-N 2.88Å; N99-F102 PolarHBondContact O-N 3.18Å; N99-V103 WeakPolarHBondContact O-CG2 3.45Å; N99-V103 PolarHBondContact O-N 3.03Å |
| 100 | T | 84.3 | Confident | 83.8 | Confident | 84 Ų | 84 | 91.4 Ų | 91.4 | 52% | 0.515 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 174.6 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | N97 F102 V103 L104 | N97-T100 WeakPolarHBondContact O-CB 3.42Å; N97-T100 PolarHBondContact O-N 3.02Å; T100-F102 PolarHBondContact O-N 3.15Å; T100-V103 PolarHBondContact O-N 2.83Å; T100-L104 VanDerWaalsContact O-CB 3.26Å; T100-L104 WeakPolarHBondContact O-CB 3.41Å; T100-L104 PolarHBondContact O-N 2.8Å |
| 101 | Y | 84.5 | Confident | 83.7 | Confident | 95 Ų | 95 | 93.4 Ų | 93.4 | 37% | 0.373 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.6 | -178.7 | -84.4 | 0 | 0 | 0 | 112.3 | I89 N97 V98 N99 L104 T105 | I89-Y101 HydrophobicContact CD1-CD1 3.54Å; I89-Y101 HydrophobicContact CD1-CE1 3.58Å; I89-Y101 HydrophobicContact CD1-CG 4.42Å; I89-Y101 HydrophobicContact CG1-CD1 4.18Å; I89-Y101 HydrophobicContact CG1-CE1 4.17Å; I89-Y101 HydrophobicContact CG2-CD1 4.1Å; I89-Y101 HydrophobicContact CG2-CD2 4.4Å; I89-Y101 HydrophobicContact CG2-CG 3.9Å; N97-Y101 WeakPolarHBondContact O-CB 3.18Å; N97-Y101 PolarHBondContact O-N 3.44Å; V98-Y101 PolarHBondContact O-N 3.02Å; N99-Y101 VanDerWaalsContact C-N 3.34Å; N99-Y101 PolarHBondContact O-N 2.88Å; Y101-L104 PolarHBondContact O-N 3.08Å; Y101-T105 WeakPolarHBondContact CE1-OG1 3.24Å; Y101-T105 WeakPolarHBondContact O-CB 3.17Å; Y101-T105 PolarHBondContact O-N 3.41Å; Y101-T105 PolarHBondContact O-OG1 2.84Å |
| 102 | F | 84.1 | Confident | 83.7 | Confident | 53 Ų | 53 | 91 Ų | 91 | 23% | 0.232 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -70.7 | -34 | 177.9 | -79.2 | -67.7 | 0 | 0 | 0 | 113.1 | Y82 V85 I89 V98 N99 T100 N106 | Y82-F102 HydrophobicContact CD1-CB 4.5Å; Y82-F102 HydrophobicContact CD1-CD1 4.02Å; Y82-F102 AromaticContact CD1-CD2 3.39Å; Y82-F102 HydrophobicContact CD1-CD2 3.39Å; Y82-F102 HydrophobicContact CD1-CE1 4.03Å; Y82-F102 AromaticContact CD1-CE2 3.4Å; Y82-F102 HydrophobicContact CD1-CE2 3.4Å; Y82-F102 VanDerWaalsContact CD1-CE2 3.4Å; Y82-F102 AromaticContact CD1-CG 3.72Å; Y82-F102 HydrophobicContact CD1-CG 3.72Å; Y82-F102 AromaticContact CD1-CZ 3.74Å; Y82-F102 HydrophobicContact CD1-CZ 3.74Å; Y82-F102 AromaticContact CD2-CD2 3.91Å; Y82-F102 HydrophobicContact CD2-CD2 3.91Å; Y82-F102 AromaticContact CD2-CE2 3.75Å; Y82-F102 HydrophobicContact CD2-CE2 3.75Å; Y82-F102 HydrophobicContact CE1-CB 3.78Å; Y82-F102 HydrophobicContact CE1-CD1 4.13Å; Y82-F102 AromaticContact CE1-CD2 3.33Å; Y82-F102 HydrophobicContact CE1-CD2 3.33Å; Y82-F102 AromaticContact CE1-CE2 3.88Å; Y82-F102 HydrophobicContact CE1-CE2 3.88Å; Y82-F102 AromaticContact CE1-CG 3.48Å; Y82-F102 HydrophobicContact CE1-CG 3.48Å; Y82-F102 VanDerWaalsContact CE1-CG 3.48Å; Y82-F102 HydrophobicContact CE1-CZ 4.48Å; Y82-F102 AromaticContact CE2-CD2 3.85Å; Y82-F102 HydrophobicContact CE2-CD2 3.85Å; Y82-F102 HydrophobicContact CE2-CE2 4.18Å; Y82-F102 AromaticContact CG-CD2 3.68Å; Y82-F102 HydrophobicContact CG-CD2 3.68Å; Y82-F102 AromaticContact CG-CE2 3.32Å; Y82-F102 HydrophobicContact CG-CE2 3.32Å; Y82-F102 HydrophobicContact CG-CG 4.44Å; Y82-F102 AromaticContact CG-CZ 3.83Å; Y82-F102 HydrophobicContact CG-CZ 3.83Å; Y82-F102 AromaticContact CZ-CD2 3.56Å; V85-F102 HydrophobicContact CG1-CZ 4.15Å; I89-F102 HydrophobicContact CD1-CD2 4.45Å; I89-F102 HydrophobicContact CD1-CE1 4.14Å; I89-F102 HydrophobicContact CD1-CE2 3.61Å; I89-F102 HydrophobicContact CD1-CZ 3.43Å; I89-F102 VanDerWaalsContact CD1-CZ 3.43Å; V98-F102 HydrophobicContact CG1-CD2 3.73Å; V98-F102 HydrophobicContact CG1-CE2 3.58Å; V98-F102 VanDerWaalsContact O-CD2 3.23Å; V98-F102 WeakPolarHBondContact O-CD2 3.4Å; V98-F102 PolarHBondContact O-N 3.31Å; N99-F102 PolarHBondContact O-N 3.18Å; T100-F102 PolarHBondContact O-N 3.15Å; F102-N106 PolarHBondContact O-N 2.78Å; F102-N106 VanDerWaalsContact O-N 3.08Å |
| 103 | V | 82.7 | Confident | 83.7 | Confident | 85 Ų | 85 | 89.5 Ų | 89.5 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 171.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | N99 T100 N106 C109 | N99-V103 WeakPolarHBondContact O-CG2 3.45Å; N99-V103 PolarHBondContact O-N 3.03Å; T100-V103 PolarHBondContact O-N 2.83Å; V103-N106 WeakPolarHBondContact O-CB 3.45Å; V103-N106 PolarHBondContact O-N 3.44Å; V103-C109 WeakPolarHBondContact O-CB 3.49Å |
| 104 | L | 81.5 | Confident | 83.9 | Confident | 93 Ų | 93 | 88.8 Ų | 88.8 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 178.2 | -164.8 | 77.8 | 0 | 0 | 0 | 112.5 | T100 Y101 N106 F113 | T100-L104 VanDerWaalsContact O-CB 3.26Å; T100-L104 WeakPolarHBondContact O-CB 3.41Å; T100-L104 PolarHBondContact O-N 2.8Å; Y101-L104 PolarHBondContact O-N 3.08Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 3.46Å; L104-F113 HydrophobicContact CD1-CE2 3.62Å; L104-F113 HydrophobicContact CD1-CZ 3.84Å; L104-F113 HydrophobicContact CG-CE2 4.45Å |
| 105 | T | 82.2 | Confident | 84 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.4 | -15.9 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | Y101 K107 | Y101-T105 WeakPolarHBondContact CE1-OG1 3.24Å; Y101-T105 WeakPolarHBondContact O-CB 3.17Å; Y101-T105 PolarHBondContact O-N 3.41Å; Y101-T105 PolarHBondContact O-OG1 2.84Å; T105-K107 PolarHBondContact O-N 3.48Å |
| 106 | N | 80.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 43% | 0.433 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -57.5 | 137.5 | 178.1 | -170.6 | -10.6 | 0 | 0 | 0 | 110.7 | F102 V103 L104 W108 C109 K110 | F102-N106 PolarHBondContact O-N 2.78Å; F102-N106 VanDerWaalsContact O-N 3.08Å; V103-N106 WeakPolarHBondContact O-CB 3.45Å; V103-N106 PolarHBondContact O-N 3.44Å; L104-N106 VanDerWaalsContact C-N 3.28Å; L104-N106 PolarHBondContact O-N 3.46Å; N106-W108 PolarHBondContact O-N 3.41Å; N106-W108 VanDerWaalsContact O-N 3.08Å; N106-W108 PolarHBondContact OD1-N 3.43Å; N106-C109 PolarHBondContact O-N 3.31Å; N106-K110 PolarHBondContact O-N 3.28Å |
| 107 | K | 81.5 | Confident | 84.4 | Confident | 179 Ų | 179 | 96 Ų | 96 | 78% | 0.778 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -52.7 | -33.5 | 177.3 | -67.2 | 179.9 | 179.4 | 178 | 0 | 112.1 | T105 A111 | T105-K107 PolarHBondContact O-N 3.48Å; K107-A111 WeakPolarHBondContact O-CB 3.27Å; K107-A111 PolarHBondContact O-N 2.87Å |
| 108 | W | 81.3 | Confident | 84.5 | Confident | 216 Ų | 216 | 98 Ų | 98 | 82% | 0.818 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 173.1 | -86.3 | 78.5 | 0 | 0 | 0 | 113.6 | N106 A111 L112 | N106-W108 PolarHBondContact O-N 3.41Å; N106-W108 VanDerWaalsContact O-N 3.08Å; N106-W108 PolarHBondContact OD1-N 3.43Å; W108-A111 PolarHBondContact O-N 3.37Å; W108-L112 VanDerWaalsContact O-CB 3.3Å; W108-L112 WeakPolarHBondContact O-CB 3.37Å; W108-L112 PolarHBondContact O-N 2.86Å |
| 109 | C | 81.9 | Confident | 84.5 | Confident | 25 Ų | 25 | 100.6 Ų | 100.6 | 17% | 0.169 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -71.1 | -41 | 177.7 | -165.9 | 0 | 0 | 0 | 0 | 110.9 | V103 N106 A111 L112 F113 | V103-C109 WeakPolarHBondContact O-CB 3.49Å; N106-C109 PolarHBondContact O-N 3.31Å; C109-A111 VanDerWaalsContact C-N 3.34Å; C109-A111 PolarHBondContact O-N 2.84Å; C109-L112 WeakPolarHBondContact O-CB 3.45Å; C109-L112 PolarHBondContact O-N 3.41Å; C109-F113 WeakPolarHBondContact O-CD2 3.19Å; C109-F113 PolarHBondContact O-N 3.32Å; C109-F113 WeakPolarHBondContact SG-CE2 3.26Å |
| 110 | K | 82.8 | Confident | 84.7 | Confident | 140 Ų | 140 | 100.2 Ų | 100.2 | 61% | 0.609 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 171.8 | -166.6 | 179 | -177.1 | 69.5 | 0 | 112.4 | N106 F113 I114 | N106-K110 PolarHBondContact O-N 3.28Å; K110-F113 PolarHBondContact O-N 3.42Å; K110-I114 HydrophobicContact CG-CD1 4.28Å; K110-I114 WeakPolarHBondContact O-CD1 3.16Å; K110-I114 VanDerWaalsContact O-CG1 3.29Å; K110-I114 WeakPolarHBondContact O-CG1 3.47Å; K110-I114 PolarHBondContact O-N 3.19Å |
| 111 | A | 86.5 | Confident | 84.7 | Confident | 55 Ų | 55 | 97.9 Ų | 97.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K107 W108 C109 I114 F115 | K107-A111 WeakPolarHBondContact O-CB 3.27Å; K107-A111 PolarHBondContact O-N 2.87Å; W108-A111 PolarHBondContact O-N 3.37Å; C109-A111 VanDerWaalsContact C-N 3.34Å; C109-A111 PolarHBondContact O-N 2.84Å; A111-I114 PolarHBondContact O-N 3.43Å; A111-F115 WeakPolarHBondContact O-CB 3.48Å; A111-F115 PolarHBondContact O-N 3.27Å |
| 112 | L | 87.7 | Confident | 84.6 | Confident | 90 Ų | 90 | 97.3 Ų | 97.3 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.1 | 179.6 | 152.1 | 0 | 0 | 0 | 111.5 | W108 C109 F115 L116 | W108-L112 VanDerWaalsContact O-CB 3.3Å; W108-L112 WeakPolarHBondContact O-CB 3.37Å; W108-L112 PolarHBondContact O-N 2.86Å; C109-L112 WeakPolarHBondContact O-CB 3.45Å; C109-L112 PolarHBondContact O-N 3.41Å; L112-F115 PolarHBondContact O-N 3.01Å; L112-L116 HydrophobicContact CD2-CD1 3.56Å; L112-L116 HydrophobicContact CD2-CG 4.11Å; L112-L116 HydrophobicContact CG-CD1 4.33Å; L112-L116 HydrophobicContact CG-CG 4.42Å; L112-L116 VanDerWaalsContact O-CB 3.31Å; L112-L116 WeakPolarHBondContact O-CB 3.21Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å |
| 113 | F | 87 | Confident | 84.4 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.3 | -75.2 | -61.9 | 0 | 0 | 0 | 112.5 | L104 C109 K110 F117 | L104-F113 HydrophobicContact CD1-CE2 3.62Å; L104-F113 HydrophobicContact CD1-CZ 3.84Å; L104-F113 HydrophobicContact CG-CE2 4.45Å; C109-F113 WeakPolarHBondContact O-CD2 3.19Å; C109-F113 PolarHBondContact O-N 3.32Å; C109-F113 WeakPolarHBondContact SG-CE2 3.26Å; K110-F113 PolarHBondContact O-N 3.42Å; F113-F117 WeakPolarHBondContact O-CB 3.42Å; F113-F117 PolarHBondContact O-N 2.87Å |
| 114 | I | 87.8 | Confident | 84.2 | Confident | 92 Ų | 92 | 104.9 Ų | 104.9 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.1 | -68.7 | 163.3 | 0 | 0 | 0 | 110.5 | K110 A111 F117 L118 | K110-I114 HydrophobicContact CG-CD1 4.28Å; K110-I114 WeakPolarHBondContact O-CD1 3.16Å; K110-I114 VanDerWaalsContact O-CG1 3.29Å; K110-I114 WeakPolarHBondContact O-CG1 3.47Å; K110-I114 PolarHBondContact O-N 3.19Å; A111-I114 PolarHBondContact O-N 3.43Å; I114-F117 PolarHBondContact O-N 2.85Å; I114-L118 HydrophobicContact CG2-CD1 3.94Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CB 3.19Å; I114-L118 VanDerWaalsContact O-CG 3.27Å; I114-L118 WeakPolarHBondContact O-CG 3.35Å; I114-L118 PolarHBondContact O-N 3.3Å |
| 115 | F | 88.4 | Confident | 83.9 | Confident | 132 Ų | 132 | 103.6 Ų | 103.6 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 179.3 | -175.7 | -115.2 | 0 | 0 | 0 | 111.8 | A111 L112 L118 I119 | A111-F115 WeakPolarHBondContact O-CB 3.48Å; A111-F115 PolarHBondContact O-N 3.27Å; L112-F115 PolarHBondContact O-N 3.01Å; F115-L118 PolarHBondContact O-N 2.78Å; F115-I119 HydrophobicContact CD1-CD1 3.82Å; F115-I119 HydrophobicContact CD2-CD1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.38Å; F115-I119 HydrophobicContact CE2-CD1 3.92Å; F115-I119 HydrophobicContact CE2-CG1 4.46Å; F115-I119 HydrophobicContact CG-CD1 4.28Å; F115-I119 HydrophobicContact CZ-CD1 3.44Å; F115-I119 VanDerWaalsContact CZ-CD1 3.44Å; F115-I119 HydrophobicContact CZ-CG1 4.43Å; F115-I119 VanDerWaalsContact O-CB 3.25Å; F115-I119 WeakPolarHBondContact O-CB 3.45Å; F115-I119 WeakPolarHBondContact O-CG1 3.48Å; F115-I119 PolarHBondContact O-N 2.83Å |
| 116 | L | 87.1 | Confident | 83.1 | Confident | 82 Ų | 82 | 103 Ų | 103 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 173.3 | -72.6 | -174.9 | 0 | 0 | 0 | 112 | L112 I119 T120 | L112-L116 HydrophobicContact CD2-CD1 3.56Å; L112-L116 HydrophobicContact CD2-CG 4.11Å; L112-L116 HydrophobicContact CG-CD1 4.33Å; L112-L116 HydrophobicContact CG-CG 4.42Å; L112-L116 VanDerWaalsContact O-CB 3.31Å; L112-L116 WeakPolarHBondContact O-CB 3.21Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.34Å; L116-I119 PolarHBondContact O-N 3.43Å; L116-T120 WeakPolarHBondContact O-CG2 3.48Å; L116-T120 PolarHBondContact O-N 3.41Å; L116-T120 PolarHBondContact O-OG1 2.89Å |
| 117 | F | 86.9 | Confident | 82.5 | Confident | 158 Ų | 158 | 102.6 Ų | 102.6 | 69% | 0.693 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.8 | -39.5 | 175.6 | -177.8 | -96.4 | 0 | 0 | 0 | 112.1 | F113 I114 G121 | F113-F117 WeakPolarHBondContact O-CB 3.42Å; F113-F117 PolarHBondContact O-N 2.87Å; I114-F117 PolarHBondContact O-N 2.85Å; F117-G121 WeakPolarHBondContact O-CA 3.14Å; F117-G121 PolarHBondContact O-N 2.93Å |
| 118 | L | 87.1 | Confident | 81.5 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.5 | -36.3 | 171.7 | -72.2 | 172.5 | 0 | 0 | 0 | 111.6 | I114 F115 C122 | I114-L118 HydrophobicContact CG2-CD1 3.94Å; I114-L118 HydrophobicContact CG2-CG 4.44Å; I114-L118 WeakPolarHBondContact O-CB 3.19Å; I114-L118 VanDerWaalsContact O-CG 3.27Å; I114-L118 WeakPolarHBondContact O-CG 3.35Å; I114-L118 PolarHBondContact O-N 3.3Å; F115-L118 PolarHBondContact O-N 2.78Å; L118-C122 WeakPolarHBondContact O-CA 2.98Å; L118-C122 WeakPolarHBondContact O-CB 3.33Å; L118-C122 PolarHBondContact O-N 2.86Å |
| 119 | I | 86.5 | Confident | 80.6 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.8 | -51.4 | 176.8 | -82 | -178.7 | 0 | 0 | 0 | 111.3 | F115 L116 G121 C122 F123 | F115-I119 HydrophobicContact CD1-CD1 3.82Å; F115-I119 HydrophobicContact CD2-CD1 4.31Å; F115-I119 HydrophobicContact CE1-CD1 3.38Å; F115-I119 HydrophobicContact CE2-CD1 3.92Å; F115-I119 HydrophobicContact CE2-CG1 4.46Å; F115-I119 HydrophobicContact CG-CD1 4.28Å; F115-I119 HydrophobicContact CZ-CD1 3.44Å; F115-I119 VanDerWaalsContact CZ-CD1 3.44Å; F115-I119 HydrophobicContact CZ-CG1 4.43Å; F115-I119 VanDerWaalsContact O-CB 3.25Å; F115-I119 WeakPolarHBondContact O-CB 3.45Å; F115-I119 WeakPolarHBondContact O-CG1 3.48Å; F115-I119 PolarHBondContact O-N 2.83Å; L116-I119 PolarHBondContact O-N 3.43Å; I119-G121 VanDerWaalsContact C-N 3.34Å; I119-C122 PolarHBondContact O-N 2.95Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.95Å; I119-F123 WeakPolarHBondContact O-CB 3.06Å; I119-F123 WeakPolarHBondContact O-CD2 3.01Å; I119-F123 PolarHBondContact O-N 2.75Å |
| 120 | T | 86.5 | Confident | 79.5 | Confident | 88 Ų | 88 | 95.3 Ų | 95.3 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 111.1 | L116 F124 | L116-T120 WeakPolarHBondContact O-CG2 3.48Å; L116-T120 PolarHBondContact O-N 3.41Å; L116-T120 PolarHBondContact O-OG1 2.89Å; T120-F124 WeakPolarHBondContact O-CB 3.32Å; T120-F124 PolarHBondContact O-N 3.46Å |
| 121 | G | 84.8 | Confident | 78.4 | Confident | 36 Ų | 36 | 91.7 Ų | 91.7 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F117 I119 C125 | F117-G121 WeakPolarHBondContact O-CA 3.14Å; F117-G121 PolarHBondContact O-N 2.93Å; I119-G121 VanDerWaalsContact C-N 3.34Å; G121-C125 WeakPolarHBondContact O-CB 3.31Å; G121-C125 PolarHBondContact O-N 3.24Å |
| 122 | C | 81.5 | Confident | 77.1 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.3 | -44.2 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | L118 I119 C125 C126 | L118-C122 WeakPolarHBondContact O-CA 2.98Å; L118-C122 WeakPolarHBondContact O-CB 3.33Å; L118-C122 PolarHBondContact O-N 2.86Å; I119-C122 PolarHBondContact O-N 2.95Å; C122-C125 PolarHBondContact O-N 2.82Å; C122-C126 WeakPolarHBondContact O-CA 3.46Å; C122-C126 WeakPolarHBondContact O-CB 3.25Å; C122-C126 PolarHBondContact O-N 2.78Å |
| 123 | F | 79.8 | Confident | 75.6 | Confident | 138 Ų | 138 | 99.7 Ų | 99.7 | 61% | 0.605 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -43.5 | 174.9 | -87.5 | -73.6 | 0 | 0 | 0 | 111.6 | I119 C127 | I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.95Å; I119-F123 WeakPolarHBondContact O-CB 3.06Å; I119-F123 WeakPolarHBondContact O-CD2 3.01Å; I119-F123 PolarHBondContact O-N 2.75Å; F123-C127 WeakPolarHBondContact O-CB 3.33Å; F123-C127 PolarHBondContact O-N 2.79Å; F123-C127 PolarHBondContact O-SG 2.77Å |
| 124 | F | 78.3 | Confident | 74 | Confident | 158 Ų | 158 | 101.4 Ų | 101.4 | 69% | 0.693 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | 176.6 | -165.6 | -98.5 | 0 | 0 | 0 | 111.3 | T120 C128 | T120-F124 WeakPolarHBondContact O-CB 3.32Å; T120-F124 PolarHBondContact O-N 3.46Å; F124-C128 WeakPolarHBondContact O-CB 3.44Å; F124-C128 PolarHBondContact O-N 2.78Å; F124-C128 PolarHBondContact O-SG 3.4Å |
| 125 | C | 75.8 | Confident | 72.4 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 176.5 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | G121 C122 C128 F129 | G121-C125 WeakPolarHBondContact O-CB 3.31Å; G121-C125 PolarHBondContact O-N 3.24Å; C122-C125 PolarHBondContact O-N 2.82Å; C125-C128 PolarHBondContact O-N 3.36Å; C125-F129 PolarHBondContact O-N 3.48Å |
| 126 | C | 66.2 | Low | 70.5 | Confident | 64 Ų | 64 | 100 Ų | 100 | 43% | 0.432 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | -179.1 | -170.7 | 0 | 0 | 0 | 0 | 111.6 | C122 C128 F129 C130 | C122-C126 WeakPolarHBondContact O-CA 3.46Å; C122-C126 WeakPolarHBondContact O-CB 3.25Å; C122-C126 PolarHBondContact O-N 2.78Å; C126-C128 VanDerWaalsContact C-N 3.34Å; C126-C128 PolarHBondContact O-N 3.34Å; C126-F129 PolarHBondContact O-N 3.08Å; C126-C130 WeakPolarHBondContact O-CB 3.1Å; C126-C130 PolarHBondContact O-N 2.95Å; C126-C130 PolarHBondContact O-SG 3.43Å; C126-C130 VanDerWaalsContact O-SG 3.35Å |
| 127 | C | 66.5 | Low | 68.9 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 49% | 0.493 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -43.2 | 170.7 | -72.6 | 0 | 0 | 0 | 0 | 111.2 | F123 C131 | F123-C127 WeakPolarHBondContact O-CB 3.33Å; F123-C127 PolarHBondContact O-N 2.79Å; F123-C127 PolarHBondContact O-SG 2.77Å; C127-C131 WeakPolarHBondContact O-CB 3.4Å; C127-C131 PolarHBondContact O-N 2.84Å; C127-C131 PolarHBondContact O-SG 3.33Å |
| 128 | C | 62 | Low | 67.4 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 37% | 0.365 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -54.3 | 174.1 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | F124 C125 C126 C130 F132 | F124-C128 WeakPolarHBondContact O-CB 3.44Å; F124-C128 PolarHBondContact O-N 2.78Å; F124-C128 PolarHBondContact O-SG 3.4Å; C125-C128 PolarHBondContact O-N 3.36Å; C126-C128 VanDerWaalsContact C-N 3.34Å; C126-C128 PolarHBondContact O-N 3.34Å; C128-C130 PolarHBondContact O-N 3.25Å; C128-F132 WeakPolarHBondContact O-CB 3.18Å; C128-F132 WeakPolarHBondContact O-CD2 3.16Å; C128-F132 PolarHBondContact O-N 3.3Å; C128-F132 VanDerWaalsContact O-N 3.08Å |
| 129 | F | 61.8 | Low | 66 | Low | 144 Ų | 144 | 102.9 Ų | 102.9 | 63% | 0.632 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.9 | -39.9 | -176.7 | -94 | -92.1 | 0 | 0 | 0 | 113.3 | C125 C126 N133 | C125-F129 PolarHBondContact O-N 3.48Å; C126-F129 PolarHBondContact O-N 3.08Å; F129-N133 PolarHBondContact O-N 3.47Å; F129-N133 PolarHBondContact O-ND2 3.15Å |
| 130 | C | 58 | Low | 64.6 | Low | 70 Ų | 70 | 108.8 Ų | 108.8 | 47% | 0.473 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75 | -40.9 | 179 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | C126 C128 F132 N133 F134 | C126-C130 WeakPolarHBondContact O-CB 3.1Å; C126-C130 PolarHBondContact O-N 2.95Å; C126-C130 PolarHBondContact O-SG 3.43Å; C126-C130 VanDerWaalsContact O-SG 3.35Å; C128-C130 PolarHBondContact O-N 3.25Å; C130-F132 PolarHBondContact O-N 3.47Å; C130-N133 PolarHBondContact O-N 3.29Å; C130-F134 WeakPolarHBondContact O-CB 3.43Å; C130-F134 PolarHBondContact O-N 2.86Å |
| 131 | C | 60.7 | Low | 63.6 | Low | 63 Ų | 63 | 110.2 Ų | 110.2 | 43% | 0.426 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.9 | -39.9 | 177 | -69.4 | 0 | 0 | 0 | 0 | 112 | C127 N133 C135 | C127-C131 WeakPolarHBondContact O-CB 3.4Å; C127-C131 PolarHBondContact O-N 2.84Å; C127-C131 PolarHBondContact O-SG 3.33Å; C131-N133 VanDerWaalsContact C-N 3.27Å; C131-N133 PolarHBondContact O-N 2.95Å; C131-C135 HydrophobicContact CB-CB 4.44Å; C131-C135 WeakPolarHBondContact O-CB 3.4Å; C131-C135 PolarHBondContact O-N 3.35Å |
| 132 | F | 57.8 | Low | 62.3 | Low | 178 Ų | 178 | 117.7 Ų | 117.7 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.4 | -20.8 | 176.4 | -93.5 | -82.6 | 0 | 0 | 0 | 114.4 | C128 C130 | C128-F132 WeakPolarHBondContact O-CB 3.18Å; C128-F132 WeakPolarHBondContact O-CD2 3.16Å; C128-F132 PolarHBondContact O-N 3.3Å; C128-F132 VanDerWaalsContact O-N 3.08Å; C130-F132 PolarHBondContact O-N 3.47Å |
| 133 | N | 58.1 | Low | 61.5 | Low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -103.8 | -25.4 | 179 | -75.9 | -86.3 | 0 | 0 | 0 | 114.5 | F129 C130 C131 | F129-N133 PolarHBondContact O-N 3.47Å; F129-N133 PolarHBondContact O-ND2 3.15Å; C130-N133 PolarHBondContact O-N 3.29Å; C131-N133 VanDerWaalsContact C-N 3.27Å; C131-N133 PolarHBondContact O-N 2.95Å |
| 134 | F | 53.2 | Low | 60.6 | Low | 149 Ų | 149 | 117.5 Ų | 117.5 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -121.6 | -28.6 | -169.2 | -147.3 | -106.4 | 0 | 0 | 0 | 115 | C130 C136 G137 | C130-F134 WeakPolarHBondContact O-CB 3.43Å; C130-F134 PolarHBondContact O-N 2.86Å; F134-C136 PolarHBondContact O-N 2.84Å; F134-G137 PolarHBondContact O-N 2.83Å |
| 135 | C | 53.2 | Low | 59.6 | Low | 73 Ų | 73 | 114 Ų | 114 | 49% | 0.493 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -74.5 | -21 | -173.8 | -72 | 0 | 0 | 0 | 0 | 114.6 | C131 G137 | C131-C135 HydrophobicContact CB-CB 4.44Å; C131-C135 WeakPolarHBondContact O-CB 3.4Å; C131-C135 PolarHBondContact O-N 3.35Å; C135-G137 VanDerWaalsContact C-N 3.28Å; C135-G137 PolarHBondContact O-N 3.24Å |
| 136 | C | 49.4 | Very low | 58.6 | Low | 121 Ų | 121 | 117.6 Ų | 117.6 | 82% | 0.818 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.7 | -4.2 | 175 | -63.9 | 0 | 0 | 0 | 0 | 114.1 | F134 | F134-C136 PolarHBondContact O-N 2.84Å |
| 137 | G | 53.6 | Low | 58 | Low | 59 Ų | 59 | 123.2 Ų | 123.2 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -88.5 | -41.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | F134 C135 | F134-G137 PolarHBondContact O-N 2.83Å; C135-G137 VanDerWaalsContact C-N 3.28Å; C135-G137 PolarHBondContact O-N 3.24Å |
| 138 | L | 55.4 | Low | 57.4 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -89.9 | -14.9 | -173 | -97.6 | 66 | 0 | 0 | 0 | 114.6 | K140 | L138-K140 PolarHBondContact O-N 3.39Å |
| 139 | Y | 57 | Low | 57 | Low | 211 Ų | 211 | 128.6 Ų | 128.6 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | -83.8 | 60.8 | 177.1 | -97.2 | -89.5 | 0 | 0 | 0 | 112.7 | ||||
| 140 | K | 57.7 | Low | 56.7 | Low | 180 Ų | 180 | 126.3 Ų | 126.3 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | trans | -132.6 | 103.9 | 156.8 | -75.6 | -166 | 176.9 | -173.8 | 0 | 109.1 | L138 K142 | L138-K140 PolarHBondContact O-N 3.39Å; K140-K142 PolarHBondContact O-N 3.22Å | ||
| 141 | P | 64.6 | Low | 56.4 | Low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126 | 161.4 | 27.6 | -32.2 | 0 | 0 | 0 | 107.2 | P143 | P141-P143 WeakPolarHBondContact O-CD 3.44Š|
| 142 | K | 58.2 | Low | 56.1 | Low | 193 Ų | 193 | 133.7 Ų | 133.7 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 124.1 | 163.1 | -75.6 | -174.5 | 174.5 | -176.2 | 0 | 106.5 | K140 | K140-K142 PolarHBondContact O-N 3.22Š|
| 143 | P | 64.3 | Low | 56 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 151.8 | 158.7 | 28.5 | -33.3 | 0 | 0 | 0 | 108.2 | P141 | P141-P143 WeakPolarHBondContact O-CD 3.44Š|
| 144 | P | 60.9 | Low | 55.8 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 138.5 | -173.1 | 25.5 | -34.6 | 0 | 0 | 0 | 110.3 | D146 | P144-D146 PolarHBondContact O-N 2.88Š|
| 145 | P | 57.5 | Low | 55.5 | Low | 83 Ų | 83 | 129.3 Ų | 129.3 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 128.7 | 155.7 | 31.9 | -32.2 | 0 | 0 | 0 | 108 | ||
| 146 | D | 55.5 | Low | 55.5 | Low | 142 Ų | 142 | 131.8 Ų | 131.8 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.6 | 143.5 | 138.8 | 32.4 | -37.8 | 0 | 0 | 0 | 112.3 | P144 | P144-D146 PolarHBondContact O-N 2.88Š|
| 147 | E | 52.7 | Low | 55.8 | Low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.6 | 16.6 | 171.6 | -49.3 | -172.4 | 161.3 | 0 | 0 | 121.5 | ||
| 148 | D | 53.7 | Low | 55.9 | Low | 116 Ų | 116 | 136.6 Ų | 136.6 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -136 | 12.6 | 161.7 | 71.8 | -84.6 | 0 | 0 | 0 | 119.1 | ||
| 149 | I | 54.5 | Low | 55.9 | Low | 124 Ų | 124 | 137.4 Ų | 137.4 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -70.1 | -33.7 | 166.6 | -60.7 | 178.1 | 0 | 0 | 0 | 111.4 | M153 | I149-M153 HydrophobicContact CG2-CE 3.81Š|
| 150 | E | 54.2 | Low | 55.7 | Low | 96 Ų | 96 | 134.1 Ų | 134.1 | 45% | 0.449 | 70% | 0.703 | S | S | . | * | G | 310 helix | trans | -82.9 | -15.6 | -171.7 | -83.8 | 154.4 | 118.1 | 0 | 0 | 114.8 | K152 M153 Q154 | E150-K152 PolarHBondContact O-N 3.3Å; E150-M153 PolarHBondContact O-N 3.45Å; E150-Q154 HydrophobicContact CB-CB 3.8Å; E150-Q154 HydrophobicContact CG-CB 4.17Å; E150-Q154 WeakPolarHBondContact O-CB 3.35Å; E150-Q154 PolarHBondContact O-N 2.99Å; E150-Q154 PolarHBondContact OE1-NE2 3.24Å |
| 151 | A | 52.4 | Low | 55.5 | Low | 88 Ų | 88 | 133.6 Ų | 133.6 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -63.3 | -2.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 152 | K | 53.6 | Low | 55.1 | Low | 201 Ų | 201 | 134.3 Ų | 134.3 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -134.1 | 17.5 | 168.2 | -119.7 | 172.4 | -174.3 | 173.4 | 0 | 114.1 | E150 | E150-K152 PolarHBondContact O-N 3.3Š|
| 153 | M | 56 | Low | 54.9 | Low | 126 Ų | 126 | 131.2 Ų | 131.2 | 62% | 0.621 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | -10 | -177.8 | -126.4 | 173.3 | -65.3 | 0 | 0 | 113.9 | I149 E150 | I149-M153 HydrophobicContact CG2-CE 3.81Å; E150-M153 PolarHBondContact O-N 3.45Å |
| 154 | Q | 53.9 | Low | 54.5 | Low | 103 Ų | 103 | 131.1 Ų | 131.1 | 48% | 0.481 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -128.7 | 25.6 | -170.6 | -162.9 | 169 | 58.6 | 0 | 0 | 113.6 | E150 | E150-Q154 HydrophobicContact CB-CB 3.8Å; E150-Q154 HydrophobicContact CG-CB 4.17Å; E150-Q154 WeakPolarHBondContact O-CB 3.35Å; E150-Q154 PolarHBondContact O-N 2.99Å; E150-Q154 PolarHBondContact OE1-NE2 3.24Å |
| 155 | L | 47.6 | Very low | 53.9 | Low | 141 Ų | 141 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.701 | S | S | * | * | trans | -129 | 58.8 | 163.1 | -74.3 | 177.5 | 0 | 0 | 0 | 109.3 | ||||
| 156 | N | 52.7 | Low | 53.6 | Low | 125 Ų | 125 | 135.8 Ų | 135.8 | 67% | 0.668 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -113 | 8.4 | 160.7 | -68 | -59.6 | 0 | 0 | 0 | 111.1 | ||
| 157 | E | 56.4 | Low | 53.5 | Low | 147 Ų | 147 | 137.2 Ų | 137.2 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -92 | -21.8 | -169.2 | -107.6 | 95.5 | 135.4 | 0 | 0 | 114.6 | ||
| 158 | D | 55.1 | Low | 53.4 | Low | 133 Ų | 133 | 137.6 Ų | 137.6 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -104.8 | -1.8 | -170.6 | -67.9 | -58.9 | 0 | 0 | 0 | 115.1 | ||
| 159 | D | 55.1 | Low | 53.4 | Low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -120.3 | 15.4 | -173.7 | -90.1 | -57.1 | 0 | 0 | 0 | 113.8 | ||
| 160 | L | 54.2 | Low | 53.6 | Low | 141 Ų | 141 | 135.2 Ų | 135.2 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -111.1 | 45.8 | -174.7 | -154.6 | 72.8 | 0 | 0 | 0 | 114.6 | D162 | L160-D162 PolarHBondContact O-N 3.41Š| ||
| 161 | D | 53.1 | Low | 54.3 | Low | 170 Ų | 170 | 136.1 Ų | 136.1 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 55.2 | 175.4 | -82.6 | -28.4 | 0 | 0 | 0 | 114 | ||||
| 162 | D | 54.8 | Low | 54.6 | Low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -146.5 | 87.4 | 160.9 | -168.4 | 4.2 | 0 | 0 | 0 | 112.2 | L160 | L160-D162 PolarHBondContact O-N 3.41Š| ||
| 163 | V | 55 | Low | 54.9 | Low | 127 Ų | 127 | 137.9 Ų | 137.9 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -96.3 | 98.7 | -180 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 164 | T | 55.5 | Low | 55.4 | Low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | trans | -110.6 | 100.5 | 166.9 | -57.1 | 0 | 0 | 0 | 0 | 111 | M166 | T164-M166 PolarHBondContact O-N 2.75Š| ||
| 165 | P | 47.9 | Very low | 55.4 | Low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -86 | 97.7 | -174.7 | 32.6 | -33.3 | 0 | 0 | 0 | 112.6 | ||||
| 166 | M | 52 | Low | 55.6 | Low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -93.6 | 102.7 | 170.2 | -87.4 | -173 | 63 | 0 | 0 | 112.6 | T164 | T164-M166 PolarHBondContact O-N 2.75Š| ||
| 167 | Q | 52.3 | Low | 55.6 | Low | 172 Ų | 172 | 135.7 Ų | 135.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -73 | 141.2 | 158.2 | -58.9 | 169.9 | -73.9 | 0 | 0 | 109.5 | ||||
| 168 | Q | 51.3 | Low | 55.2 | Low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | 177.9 | 141.5 | 118.3 | -95.8 | 159.8 | -9.7 | 0 | 0 | 113.9 | |||||
| 169 | A | 53.5 | Low | 54.9 | Low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | 34.4 | 115.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 170 | A | 58.7 | Low | 54.6 | Low | 94 Ų | 94 | 130.6 Ų | 130.6 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 171 | P | 69.9 | Low | 54 | Low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 152.8 | 173.9 | 29.9 | -34.8 | 0 | 0 | 0 | 111.6 | ||
| 172 | P | 58.6 | Low | 53.5 | Low | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 145 | -179.2 | 29.3 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 173 | Y | 60.2 | Low | 53 | Low | 201 Ų | 201 | 129.5 Ų | 129.5 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 152.4 | 177 | 106.3 | -56.4 | 0 | 0 | 0 | 112 | P175 | Y173-P175 HydrophobicContact CD2-CG 4.37Å; Y173-P175 HydrophobicContact CE2-CB 4.27Å; Y173-P175 HydrophobicContact CE2-CG 3.59Å |
| 174 | N | 66.2 | Low | 52.7 | Low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -149.9 | 114.6 | 168.9 | -175.7 | 15 | 0 | 0 | 0 | 110.6 | ||||
| 175 | P | 53.8 | Low | 52.5 | Low | 78 Ų | 78 | 129.9 Ų | 129.9 | 51% | 0.506 | 78% | 0.776 | S | S | . | * | trans | -98.4 | 127.4 | 177.4 | 35.8 | -29.8 | 0 | 0 | 0 | 111.9 | Y173 | Y173-P175 HydrophobicContact CD2-CG 4.37Å; Y173-P175 HydrophobicContact CE2-CB 4.27Å; Y173-P175 HydrophobicContact CE2-CG 3.59Å | ||
| 176 | S | 51.3 | Low | 52.4 | Low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -153.4 | 142.3 | 161.1 | -79.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 177 | P | 52.4 | Low | 52.6 | Low | 115 Ų | 115 | 131 Ų | 131 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -111.6 | 172.8 | -162.1 | 41.4 | -34.6 | 0 | 0 | 0 | 115.1 | ||||
| 178 | S | 48.3 | Very low | 52.6 | Low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | 73.1 | 158.6 | 164.2 | 85.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 179 | S | 49.9 | Very low | 52.5 | Low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | cis | -151 | 166.9 | 9 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 180 | S | 46.7 | Very low | 52.6 | Low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 49.6 | 123.8 | 149.7 | 61.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 181 | G | 41.9 | Very low | 52.4 | Low | 87 Ų | 87 | 124.8 Ų | 124.8 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | trans | 175.8 | 55.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 182 | F | 42.5 | Very low | 51.6 | Low | 179 Ų | 179 | 124.2 Ų | 124.2 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -103.1 | 131.1 | 171.8 | 175 | -80.7 | 0 | 0 | 0 | 109.4 | ||||
| 183 | D | 44.2 | Very low | 51.4 | Low | 155 Ų | 155 | 125.9 Ų | 125.9 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -168.1 | 163.4 | 146.8 | -106.9 | -31 | 0 | 0 | 0 | 112.4 | ||||
| 184 | S | 48.6 | Very low | 50.6 | Low | 83 Ų | 83 | 119.7 Ų | 119.7 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | trans | -134.9 | 138.3 | -161.4 | 62.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 185 | N | 52.4 | Low | 49.5 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -145.6 | 121.1 | 162.7 | -66.7 | -80.2 | 0 | 0 | 0 | 107.1 | ||||
| 186 | F | 45.7 | Very low | 49.1 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | cis | 72.8 | 99.4 | 47.7 | -168 | -95.1 | 0 | 0 | 0 | 115.3 | T188 | F186-T188 HydrophobicContact CE1-CG2 4.21Å; F186-T188 HydrophobicContact CZ-CG2 3.73Å | ||
| 187 | V | 55.4 | Low | 49.3 | Very low | 138 Ų | 138 | 119.1 Ų | 119.1 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -143.3 | 134.3 | 158.4 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 188 | T | 53.1 | Low | 49.4 | Very low | 108 Ų | 108 | 117.1 Ų | 117.1 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -72.2 | 146.3 | 176.7 | 50 | 0 | 0 | 0 | 0 | 112 | F186 | F186-T188 HydrophobicContact CE1-CG2 4.21Å; F186-T188 HydrophobicContact CZ-CG2 3.73Å | ||
| 189 | G | 49.3 | Very low | 49.5 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | 106.1 | 172.9 | 57 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 190 | P | 55.3 | Low | 49.8 | Very low | 111 Ų | 111 | 116 Ų | 116 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -136.5 | 176.6 | -9 | 41.6 | -24.4 | 0 | 0 | 0 | 116 | ||||
| 191 | T | 54.5 | Low | 50.6 | Low | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 61.8 | 149.1 | 157 | 43.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 192 | S | 53.5 | Low | 51.9 | Low | 101 Ų | 101 | 121.7 Ų | 121.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -175.9 | 161.7 | -3.8 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 193 | I | 53.3 | Low | 52.8 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | cis | -156.7 | 145.9 | 0.1 | -118.2 | 164.9 | 0 | 0 | 0 | 106.6 | ||||
| 194 | G | 44.7 | Very low | 54.2 | Low | 71 Ų | 71 | 122.2 Ų | 122.2 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | 69.6 | 123.7 | 98.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 195 | G | 43.1 | Very low | 55.5 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | cis | 94.3 | 139.9 | 44.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 196 | G | 45.3 | Very low | 56.2 | Low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | cis | 149.5 | 130.6 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | V | 55.5 | Low | 57.5 | Low | 160 Ų | 160 | 120.6 Ų | 120.6 | 97% | 0.97 | 80% | 0.796 | S | S | * | * | trans | 70.4 | 140.2 | 167 | -158.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 198 | G | 53.3 | Low | 58.3 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 102.7 | 76.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 199 | S | 50.4 | Low | 58.9 | Low | 129 Ų | 129 | 121.3 Ų | 121.3 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -87.3 | 115.7 | 166.7 | 47.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 200 | G | 57.4 | Low | 59.8 | Low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | trans | -153.2 | 111.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 201 | F | 63.5 | Low | 60 | Low | 201 Ų | 201 | 125.8 Ų | 125.8 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -121.2 | 110.4 | 177 | -82.2 | -81.4 | 0 | 0 | 0 | 110.7 | ||||
| 202 | P | 68.4 | Low | 60.6 | Low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 161.6 | 166.5 | -13.7 | 30.8 | 0 | 0 | 0 | 112.6 | ||
| 203 | Y | 62.9 | Low | 61.3 | Low | 221 Ų | 221 | 132 Ų | 132 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77 | 155 | -167.7 | -60.7 | -89.6 | 0 | 0 | 0 | 115.1 | ||
| 204 | P | 73.4 | Confident | 61.6 | Low | 125 Ų | 125 | 130.4 Ų | 130.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 152.8 | 167.8 | 30.4 | -35.7 | 0 | 0 | 0 | 112.2 | ||
| 205 | T | 76 | Confident | 62.4 | Low | 123 Ų | 123 | 135.3 Ų | 135.3 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83 | 154.2 | -176.7 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 206 | P | 66.7 | Low | 63.7 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137 | 174 | 30.5 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 207 | V | 71.6 | Confident | 64.3 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 123.3 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 109.6 | V209 | V207-V209 PolarHBondContact O-N 2.87Š|
| 208 | T | 72.4 | Confident | 64.5 | Low | 133 Ų | 133 | 139.5 Ų | 139.5 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.6 | -179.3 | -53.9 | 0 | 0 | 0 | 0 | 112 | A210 | T208-A210 PolarHBondContact O-N 2.85Š|
| 209 | V | 66.4 | Low | 65 | Low | 129 Ų | 129 | 142.1 Ų | 142.1 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 116 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | V207 Q211 | V207-V209 PolarHBondContact O-N 2.87Å; V209-Q211 PolarHBondContact O-N 2.86Å |
| 210 | A | 67.5 | Low | 65.4 | Low | 85 Ų | 85 | 150.3 Ų | 150.3 | 70% | 0.702 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T208 | T208-A210 PolarHBondContact O-N 2.85Š|
| 211 | Q | 59.4 | Low | 65.8 | Low | 191 Ų | 191 | 154.6 Ų | 154.6 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 134.2 | 168 | -68 | -176.4 | -55 | 0 | 0 | 109.8 | V209 | V209-Q211 PolarHBondContact O-N 2.86Š|
| 212 | Q | 67.5 | Low | 65.9 | Low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -127.1 | 148.8 | 168.7 | -114.6 | 165.5 | -18.3 | 0 | 0 | 111 | ||||
| 213 | Q | 69.5 | Low | 65.8 | Low | 173 Ų | 173 | 153.8 Ų | 153.8 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 158.8 | -147.8 | -66.7 | -151.8 | -22.1 | 0 | 0 | 114 | I215 | Q213-I215 PolarHBondContact O-N 3.28Š|
| 214 | P | 59.2 | Low | 65.9 | Low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126.8 | -178.2 | 23.3 | -35.1 | 0 | 0 | 0 | 112.3 | S216 | P214-S216 PolarHBondContact O-N 2.91Š|
| 215 | I | 62 | Low | 65.5 | Low | 175 Ų | 175 | 151.4 Ų | 151.4 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 117.8 | 179.3 | -63.8 | 171.9 | 0 | 0 | 0 | 109.5 | Q213 | Q213-I215 PolarHBondContact O-N 3.28Š|
| 216 | S | 68.6 | Low | 64.8 | Low | 116 Ų | 116 | 153.3 Ų | 153.3 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -113.6 | 106.8 | 176.1 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | P214 | P214-S216 PolarHBondContact O-N 2.91Š| ||
| 217 | G | 59.2 | Low | 64.6 | Low | 65 Ų | 65 | 155.6 Ų | 155.6 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | trans | 66.2 | 118.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 218 | R | 59.4 | Low | 64.1 | Low | 228 Ų | 228 | 157.1 Ų | 157.1 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | 52 | 97.1 | 131.5 | -178.8 | 177.2 | -87.3 | 154.9 | -9.1 | 116.4 | ||||
| 219 | V | 64.2 | Low | 63.4 | Low | 129 Ų | 129 | 159.1 Ų | 159.1 | 78% | 0.782 | 84% | 0.842 | S | S | * | * | 55.9 | 102.1 | 76.6 | -175.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 220 | Y | 58.2 | Low | 63.1 | Low | 300 Ų | 300 | 161.8 Ų | 161.8 | 100% | 1.176 | 85% | 0.847 | S | S | * | * | trans | -108.3 | 0 | 136.6 | -80.6 | -85.6 | 0 | 0 | 0 | 107.6 |
Retrieved 220 of 220 residues in 258.8 ms
(Link to these results)