| 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 | 37.5 | Very low | 48.9 | Very low | 246 Ų | 246 | 145.5 Ų | 145.5 | 100% | 1.212 | 74% | 0.74 | S | S | * | * | 0 | 121.7 | 0 | -93.4 | 174.5 | 162.4 | 0 | 0 | 107.5 | L3 | M1-L3 PolarHBondContact O-N 3.36Š| |||
| 2 | V | 38.6 | Very low | 49.6 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | trans | -67.2 | 117.9 | -170.6 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | D4 | V2-D4 PolarHBondContact O-N 2.79Š| ||
| 3 | L | 46.2 | Very low | 50.1 | Low | 136 Ų | 136 | 140.5 Ų | 140.5 | 71% | 0.712 | 72% | 0.722 | S | S | * | * | trans | -71.7 | 91.3 | 159.6 | -80.5 | 162.7 | 0 | 0 | 0 | 105.3 | M1 A5 | M1-L3 PolarHBondContact O-N 3.36Å; L3-A5 PolarHBondContact O-N 3.36Å | ||
| 4 | D | 43.7 | Very low | 51.2 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 67% | 0.674 | 69% | 0.686 | S | S | * | * | trans | -62.3 | 92.4 | 170.3 | -96.9 | -30.2 | 0 | 0 | 0 | 108.4 | V2 R6 | V2-D4 PolarHBondContact O-N 2.79Å; D4-R6 PolarHBondContact O-N 3.27Å | ||
| 5 | A | 51 | Low | 52.9 | Low | 92 Ų | 92 | 134.3 Ų | 134.3 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | trans | -77.9 | 71.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L3 | L3-A5 PolarHBondContact O-N 3.36Š| ||
| 6 | R | 47.3 | Very low | 55.2 | Low | 218 Ų | 218 | 130.4 Ų | 130.4 | 82% | 0.823 | 68% | 0.68 | S | S | * | * | trans | -115.6 | 77.8 | 155.3 | -76.1 | -174.6 | -177.9 | 168.8 | 2.2 | 107.7 | D4 E8 | D4-R6 PolarHBondContact O-N 3.27Å; R6-E8 VanDerWaalsContact C-N 3.33Å; R6-E8 PolarHBondContact O-N 3.06Å | ||
| 7 | I | 56.9 | Low | 57.5 | Low | 95 Ų | 95 | 126.3 Ų | 126.3 | 49% | 0.487 | 66% | 0.663 | S | S | . | * | trans | -82.6 | 92.5 | 160.7 | -60.8 | 174.5 | 0 | 0 | 0 | 104.2 | D9 | I7-D9 PolarHBondContact O-N 3.03Š| ||
| 8 | E | 54.8 | Low | 59.6 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | trans | -58.2 | 122.7 | 169.1 | -77.1 | 168.4 | 165.4 | 0 | 0 | 108.3 | R6 D10 | R6-E8 VanDerWaalsContact C-N 3.33Å; R6-E8 PolarHBondContact O-N 3.06Å; E8-D10 PolarHBondContact O-N 3.24Å | ||
| 9 | D | 53.2 | Low | 61.5 | Low | 130 Ų | 130 | 113.2 Ų | 113.2 | 70% | 0.695 | 60% | 0.595 | S | S | * | * | trans | -68 | 80.9 | 177.2 | -171.7 | 35.1 | 0 | 0 | 0 | 108.5 | I7 K11 | I7-D9 PolarHBondContact O-N 3.03Å; D9-K11 PolarHBondContact O-N 3.32Å | ||
| 10 | D | 56.5 | Low | 63.3 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | trans | -65.4 | 88.7 | 164.6 | -75.5 | -39.6 | 0 | 0 | 0 | 107.7 | E8 V12 R77 | E8-D10 PolarHBondContact O-N 3.24Å; D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 HydrophobicContact CB-CG2 4.21Å; D10-V12 PolarHBondContact O-N 2.85Å; D10-R77 IonicContact OD2-CZ 3.8Å; D10-R77 IonicContact OD2-NH2 2.66Å; D10-R77 PolarHBondContact OD2-NH2 2.82Å | ||
| 11 | K | 52.2 | Low | 64.9 | Low | 186 Ų | 186 | 104.5 Ų | 104.5 | 81% | 0.809 | 55% | 0.547 | S | S | * | . | trans | -54.2 | 93.3 | 166.4 | -76.3 | -177.1 | 176 | 175.6 | 0 | 109.4 | D9 | D9-K11 PolarHBondContact O-N 3.32Š| ||
| 12 | V | 56.9 | Low | 67.7 | Low | 46 Ų | 46 | 92.8 Ų | 92.8 | 28% | 0.279 | 49% | 0.489 | S | S | . | . | trans | -131.6 | 98.8 | 174 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | D10 S14 N71 K73 | D10-V12 VanDerWaalsContact C-N 3.3Å; D10-V12 HydrophobicContact CB-CG2 4.21Å; D10-V12 PolarHBondContact O-N 2.85Å; V12-S14 PolarHBondContact O-N 2.96Å; V12-N71 PolarHBondContact O-ND2 3.47Å; V12-K73 HydrophobicContact CB-CD 4.08Å; V12-K73 HydrophobicContact CG1-CD 3.85Å; V12-K73 VanDerWaalsContact CG1-CE 3.48Å; V12-K73 HydrophobicContact CG2-CD 4Å | ||
| 13 | D | 56.9 | Low | 70.3 | Confident | 180 Ų | 180 | 89.2 Ų | 89.2 | 96% | 0.963 | 47% | 0.469 | S | S | * | . | trans | -62.7 | 51.5 | 171.7 | -85.3 | -22.6 | 0 | 0 | 0 | 113.4 | ||||
| 14 | S | 65.3 | Low | 72.6 | Confident | 31 Ų | 31 | 86.1 Ų | 86.1 | 22% | 0.217 | 46% | 0.456 | C | S | . | . | trans | -113.8 | 99.9 | 167.9 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | V12 V16 | V12-S14 PolarHBondContact O-N 2.96Å; S14-V16 PolarHBondContact O-N 2.93Å | ||
| 15 | D | 76.6 | Confident | 75 | Confident | 158 Ų | 158 | 80.4 Ų | 80.4 | 85% | 0.845 | 43% | 0.425 | S | S | * | . | trans | -66.6 | 24.5 | 171.1 | -92.4 | -12.1 | 0 | 0 | 0 | 113.2 | P17 | D15-P17 VanDerWaalsContact O-CD 3.26Å; D15-P17 WeakPolarHBondContact O-CD 3.25Å | ||
| 16 | V | 90 | Very high | 76.9 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | trans | -86.6 | 113.5 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | S14 L70 K72 | S14-V16 PolarHBondContact O-N 2.93Å; V16-L70 CarbonylContact C-O 3.54Å; V16-K72 HydrophobicContact CB-CD 4.26Å; V16-K72 HydrophobicContact CG1-CD 4.08Å; V16-K72 PolarHBondContact O-N 2.89Å | ||
| 17 | P | 93.5 | Very high | 78.9 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | trans | -65.3 | 152.3 | 178.5 | 28.1 | -34.3 | 0 | 0 | 0 | 110.5 | D15 E68 F69 | D15-P17 VanDerWaalsContact O-CD 3.26Å; D15-P17 WeakPolarHBondContact O-CD 3.25Å; P17-E68 HydrophobicContact CB-CG 4.03Å; P17-F69 VanDerWaalsContact CA-O 3.29Å; P17-F69 WeakPolarHBondContact CA-O 3Å | ||
| 18 | G | 95 | Very high | 80.4 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F69 | G18-F69 PolarHBondContact N-O 3.44Å; G18-F69 PolarHBondContact O-N 3.05Å |
| 19 | I | 96.5 | Very high | 82.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.1 | -174.7 | -63.7 | 174.1 | 0 | 0 | 0 | 110.4 | W66 V67 E68 F104 L105 T108 S109 W110 L113 | I19-W66 HydrophobicContact CG2-CB 4.13Å; I19-W66 HydrophobicContact CG2-CG 4.48Å; I19-V67 WeakPolarHBondContact CA-O 3.26Å; I19-E68 HydrophobicContact CG1-CB 4.4Å; I19-E68 HydrophobicContact CG1-CG 4.5Å; I19-F104 WeakPolarHBondContact O-CD2 3.36Å; I19-L105 HydrophobicContact CG2-CD1 3.99Å; I19-L105 PolarHBondContact O-N 3.32Å; I19-T108 HydrophobicContact CD1-CG2 4.47Å; I19-S109 VanDerWaalsContact CD1-C 3.46Å; I19-W110 HydrophobicContact CD1-CB 4.28Å; I19-W110 HydrophobicContact CD1-CE3 4.14Å; I19-W110 HydrophobicContact CG1-CE3 4.48Å; I19-L113 HydrophobicContact CD1-CD1 3.87Å; I19-L113 HydrophobicContact CD1-CG 4.21Å; I19-L113 HydrophobicContact CG2-CD1 4.14Å |
| 20 | I | 96.7 | Very high | 84 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.2 | 169.7 | -61.8 | -167.2 | 0 | 0 | 0 | 108.7 | L22 W66 V67 F69 A75 V78 A79 I102 | I20-L22 HydrophobicContact CG2-CD2 4.29Å; I20-W66 CarbonylContact O-C 3.59Å; I20-W66 VanDerWaalsContact O-CA 3.3Å; I20-W66 WeakPolarHBondContact O-CA 3.46Å; I20-V67 HydrophobicContact CB-CB 4.48Å; I20-V67 PolarHBondContact N-O 3.21Å; I20-V67 PolarHBondContact O-N 3.11Å; I20-F69 HydrophobicContact CD1-CD2 3.82Å; I20-F69 HydrophobicContact CD1-CE2 3.4Å; I20-F69 VanDerWaalsContact CD1-CE2 3.4Å; I20-F69 HydrophobicContact CD1-CZ 4.36Å; I20-F69 HydrophobicContact CG1-CD2 4.04Å; I20-F69 HydrophobicContact CG1-CE2 4.04Å; I20-A75 HydrophobicContact CD1-CB 4.35Å; I20-A75 VanDerWaalsContact CD1-O 3.23Å; I20-A75 WeakPolarHBondContact CD1-O 3.05Å; I20-A75 HydrophobicContact CG1-CB 3.96Å; I20-V78 HydrophobicContact CD1-CB 3.8Å; I20-V78 HydrophobicContact CD1-CG1 3.68Å; I20-A79 HydrophobicContact CD1-CB 4.27Å; I20-I102 HydrophobicContact CG2-CB 4.46Å; I20-I102 HydrophobicContact CG2-CG2 3.05Å |
| 21 | Y | 97.1 | Very high | 85.8 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.6 | 169.8 | 176.9 | -117 | 0 | 0 | 0 | 110.8 | E64 G65 W66 I102 R103 | Y21-E64 HydrophobicContact CE2-CB 3.95Å; Y21-E64 HydrophobicContact CE2-CG 4.43Å; Y21-E64 VanDerWaalsContact CE2-OE2 3.3Å; Y21-E64 WeakPolarHBondContact CE2-OE2 3.46Å; Y21-E64 PolarHBondContact OH-OE2 3.34Å; Y21-G65 WeakPolarHBondContact CD2-O 3.37Å; Y21-W66 AromaticContact CD2-CD1 3.89Å; Y21-W66 HydrophobicContact CD2-CD2 4.5Å; Y21-W66 AromaticContact CD2-CE2 3.87Å; Y21-W66 HydrophobicContact CD2-CZ2 4.35Å; Y21-W66 AromaticContact CD2-NE1 3.44Å; Y21-W66 HydrophobicContact CE2-CZ2 4.11Å; Y21-I102 CarbonylContact O-C 3.58Å; Y21-I102 WeakPolarHBondContact O-CA 3.43Å; Y21-R103 PolarHBondContact N-O 3.43Å; Y21-R103 PolarHBondContact O-N 2.64Å |
| 22 | L | 96.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 105 | 172.9 | -56.2 | 177.7 | 0 | 0 | 0 | 107.6 | I20 T24 I25 I34 M38 L49 E64 G65 V67 I102 | I20-L22 HydrophobicContact CG2-CD2 4.29Å; L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.19Å; L22-I25 HydrophobicContact CB-CD1 3.48Å; L22-I25 VanDerWaalsContact CB-CD1 3.48Å; L22-I25 HydrophobicContact CD1-CD1 3.55Å; L22-I25 HydrophobicContact CG-CD1 4.16Å; L22-I34 HydrophobicContact CD1-CD1 4.29Å; L22-I34 HydrophobicContact CD1-CG2 3.97Å; L22-M38 HydrophobicContact CD2-CE 4.31Å; L22-L49 HydrophobicContact CD1-CD2 4.29Å; L22-E64 CarbonylContact O-C 3.43Å; L22-E64 VanDerWaalsContact O-CA 3.32Å; L22-E64 WeakPolarHBondContact O-CA 3.47Å; L22-G65 PolarHBondContact N-O 2.83Å; L22-G65 PolarHBondContact O-N 3.46Å; L22-V67 HydrophobicContact CD1-CG2 3.89Å; L22-V67 HydrophobicContact CG-CG2 4.44Å; L22-I102 HydrophobicContact CD2-CB 4.28Å; L22-I102 HydrophobicContact CD2-CD1 3.67Å; L22-I102 HydrophobicContact CD2-CG1 3.52Å; L22-I102 HydrophobicContact CD2-CG2 4.09Å |
| 23 | S | 94.5 | Very high | 89.6 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -26.4 | -177.3 | -179 | 0 | 0 | 0 | 0 | 112.8 | N101 | S23-N101 PolarHBondContact N-O 2.98Å |
| 24 | T | 93.5 | Very high | 91.4 | Very high | 71 Ų | 71 | 39.1 Ų | 39.1 | 44% | 0.436 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 134.4 | 177.2 | -51 | 0 | 0 | 0 | 0 | 108 | L22 | L22-T24 VanDerWaalsContact C-N 3.29Å; L22-T24 PolarHBondContact O-N 3.19Å |
| 25 | I | 93.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -100.4 | 126.4 | 174.7 | -55.1 | -56.3 | 0 | 0 | 0 | 109.6 | L22 M29 I34 L49 Y62 | L22-I25 HydrophobicContact CB-CD1 3.48Å; L22-I25 VanDerWaalsContact CB-CD1 3.48Å; L22-I25 HydrophobicContact CD1-CD1 3.55Å; L22-I25 HydrophobicContact CG-CD1 4.16Å; I25-M29 HydrophobicContact CG2-CB 4.31Å; I25-I34 HydrophobicContact CD1-CD1 4.05Å; I25-I34 HydrophobicContact CG2-CD1 3.68Å; I25-L49 HydrophobicContact CD1-CD2 3.67Å; I25-L49 HydrophobicContact CG1-CD2 4.14Å; I25-L49 HydrophobicContact CG2-CD1 4.45Å; I25-Y62 HydrophobicContact CG2-CD2 4.26Å |
| 26 | P | 91.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 141.6 | -178.4 | -22.9 | 31.2 | 0 | 0 | 0 | 113 | G28 M29 V87 W95 E98 W100 | P26-G28 PolarHBondContact O-N 3.45Å; P26-M29 HydrophobicContact CB-CG 3.99Å; P26-M29 HydrophobicContact CB-SD 3.63Å; P26-M29 HydrophobicContact CG-SD 3.57Å; P26-M29 VanDerWaalsContact CG-SD 3.57Å; P26-M29 WeakPolarHBondContact O-CB 3.32Å; P26-M29 PolarHBondContact O-N 3.26Å; P26-M29 VanDerWaalsContact O-N 3.12Å; P26-V87 HydrophobicContact CB-CG2 4.09Å; P26-V87 HydrophobicContact CG-CG2 3.51Å; P26-W95 HydrophobicContact CB-CB 3.58Å; P26-W95 HydrophobicContact CB-CG 4.46Å; P26-E98 WeakPolarHBondContact CA-OE2 3.49Å; P26-E98 HydrophobicContact CB-CB 4.28Å; P26-E98 VanDerWaalsContact CB-OE2 3.26Å; P26-E98 WeakPolarHBondContact CB-OE2 3.41Å; P26-W100 HydrophobicContact CG-CE3 4.27Å; P26-W100 HydrophobicContact CG-CH2 4.43Å; P26-W100 HydrophobicContact CG-CZ3 4.07Å |
| 27 | N | 88.5 | Confident | 93.9 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 125 | -169.9 | -73.6 | -54.7 | 0 | 0 | 0 | 112 | M29 Q61 W95 E98 | N27-M29 VanDerWaalsContact C-N 3.33Å; N27-Q61 PolarHBondContact OD1-NE2 3.06Å; N27-W95 VanDerWaalsContact O-CE3 3.27Å; N27-E98 WeakPolarHBondContact CB-OE1 3.31Å; N27-E98 PolarHBondContact N-OE2 2.85Å; N27-E98 PolarHBondContact ND2-OE1 3.11Å |
| 28 | G | 89 | Confident | 93.9 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -2.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P26 W95 | P26-G28 PolarHBondContact O-N 3.45Å; G28-W95 WeakPolarHBondContact O-CZ3 3.32Å |
| 29 | M | 91.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -74.4 | 134.7 | 168.8 | -67.1 | -167.3 | 76.1 | 0 | 0 | 111.3 | I25 P26 N27 M33 I34 I37 Y62 V87 W95 W100 | I25-M29 HydrophobicContact CG2-CB 4.31Å; P26-M29 HydrophobicContact CB-CG 3.99Å; P26-M29 HydrophobicContact CB-SD 3.63Å; P26-M29 HydrophobicContact CG-SD 3.57Å; P26-M29 VanDerWaalsContact CG-SD 3.57Å; P26-M29 WeakPolarHBondContact O-CB 3.32Å; P26-M29 PolarHBondContact O-N 3.26Å; P26-M29 VanDerWaalsContact O-N 3.12Å; N27-M29 VanDerWaalsContact C-N 3.33Å; M29-M33 HydrophobicContact CE-CB 4.22Å; M29-I34 HydrophobicContact CB-CD1 4.43Å; M29-I34 HydrophobicContact CB-CG1 4.26Å; M29-I34 HydrophobicContact CE-CG1 3.66Å; M29-I34 HydrophobicContact SD-CG1 4.4Å; M29-I37 HydrophobicContact CE-CD1 3.43Å; M29-I37 VanDerWaalsContact CE-CD1 3.43Å; M29-Y62 WeakPolarHBondContact O-CE2 3.29Å; M29-V87 HydrophobicContact CE-CG1 4.43Å; M29-V87 HydrophobicContact SD-CG1 3.95Å; M29-W95 HydrophobicContact CG-CD2 3.88Å; M29-W95 HydrophobicContact CG-CE3 4.01Å; M29-W95 HydrophobicContact CG-CG 4.12Å; M29-W100 HydrophobicContact CE-CH2 3.68Å; M29-W100 HydrophobicContact CE-CZ2 4.06Å; M29-W100 HydrophobicContact SD-CH2 3.75Å; M29-W100 HydrophobicContact SD-CZ2 4.22Å; M29-W100 HydrophobicContact SD-CZ3 4.44Å | ||
| 30 | N | 92.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | trans | -101.9 | 164.3 | 173.9 | -65.9 | -29.9 | 0 | 0 | 0 | 111 | S32 M33 I34 | N30-S32 PolarHBondContact O-N 2.83Å; N30-M33 HydrophobicContact CB-CG 4.43Å; N30-M33 PolarHBondContact O-N 3.42Å; N30-I34 PolarHBondContact O-N 3.32Å; N30-I34 VanDerWaalsContact O-N 3.15Å | ||
| 31 | V | 94.7 | Very high | 93.5 | Very high | 53 Ų | 53 | 44.9 Ų | 44.9 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -49.3 | -45.9 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | M33 I34 S35 V47 L49 | V31-M33 PolarHBondContact O-N 3.43Å; V31-I34 PolarHBondContact O-N 3.22Å; V31-S35 WeakPolarHBondContact O-CB 3.47Å; V31-S35 PolarHBondContact O-N 3.46Å; V31-V47 HydrophobicContact CG1-CB 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.85Å; V31-L49 HydrophobicContact CB-CD1 4.31Å; V31-L49 HydrophobicContact CG2-CB 4.32Å; V31-L49 HydrophobicContact CG2-CD1 3.66Å; V31-L49 HydrophobicContact CG2-CG 3.94Å |
| 32 | S | 94.6 | Very high | 93.3 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 177.8 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | N30 I34 S35 D36 | N30-S32 PolarHBondContact O-N 2.83Å; S32-I34 PolarHBondContact O-N 3.26Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 3.38Å; S32-D36 PolarHBondContact O-N 2.92Å; S32-D36 VanDerWaalsContact O-OD2 3.13Å |
| 33 | M | 93.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 30% | 0.3 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | -176.4 | -58.2 | -175.6 | 69 | 0 | 0 | 111.9 | M29 N30 V31 S35 D36 I37 W95 | M29-M33 HydrophobicContact CE-CB 4.22Å; N30-M33 HydrophobicContact CB-CG 4.43Å; N30-M33 PolarHBondContact O-N 3.42Å; V31-M33 PolarHBondContact O-N 3.43Å; M33-S35 VanDerWaalsContact C-N 3.35Å; M33-D36 PolarHBondContact O-N 3.37Å; M33-I37 WeakPolarHBondContact O-CD1 3.44Å; M33-I37 VanDerWaalsContact O-CG1 3.3Å; M33-I37 WeakPolarHBondContact O-CG1 3.43Å; M33-I37 PolarHBondContact O-N 3.4Å; M33-W95 HydrophobicContact CE-CH2 3.31Å; M33-W95 HydrophobicContact CE-CZ2 3.3Å; M33-W95 HydrophobicContact CE-CZ3 4.34Å; M33-W95 HydrophobicContact SD-CH2 3.94Å; M33-W95 HydrophobicContact SD-CZ2 4.44Å |
| 34 | I | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.3 | -61.6 | -178.5 | 0 | 0 | 0 | 109.7 | L22 I25 M29 N30 V31 S32 D36 I37 M38 L49 V67 W100 | L22-I34 HydrophobicContact CD1-CD1 4.29Å; L22-I34 HydrophobicContact CD1-CG2 3.97Å; I25-I34 HydrophobicContact CD1-CD1 4.05Å; I25-I34 HydrophobicContact CG2-CD1 3.68Å; M29-I34 HydrophobicContact CB-CD1 4.43Å; M29-I34 HydrophobicContact CB-CG1 4.26Å; M29-I34 HydrophobicContact CE-CG1 3.66Å; M29-I34 HydrophobicContact SD-CG1 4.4Å; N30-I34 PolarHBondContact O-N 3.32Å; N30-I34 VanDerWaalsContact O-N 3.15Å; V31-I34 PolarHBondContact O-N 3.22Å; S32-I34 PolarHBondContact O-N 3.26Å; I34-D36 PolarHBondContact O-N 2.66Å; I34-I37 PolarHBondContact O-N 2.81Å; I34-M38 HydrophobicContact CG2-CE 4.47Å; I34-M38 HydrophobicContact CG2-CG 4.04Å; I34-M38 VanDerWaalsContact O-CB 3.29Å; I34-M38 WeakPolarHBondContact O-CB 3.48Å; I34-M38 WeakPolarHBondContact O-CG 3.42Å; I34-M38 PolarHBondContact O-N 3.27Å; I34-L49 HydrophobicContact CD1-CD1 3.68Å; I34-L49 HydrophobicContact CD1-CD2 4.03Å; I34-V67 HydrophobicContact CG2-CG2 4.18Å; I34-W100 HydrophobicContact CG1-CH2 4.38Å |
| 35 | S | 95 | Very high | 93.2 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.6 | -50.7 | 174.4 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | V31 S32 M33 I37 M38 Q39 I44 | V31-S35 WeakPolarHBondContact O-CB 3.47Å; V31-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-CB 3.32Å; S32-S35 WeakPolarHBondContact O-CB 3.3Å; S32-S35 PolarHBondContact O-N 3.38Å; M33-S35 VanDerWaalsContact C-N 3.35Å; S35-I37 VanDerWaalsContact C-N 3.35Å; S35-I37 PolarHBondContact O-N 3.28Å; S35-M38 PolarHBondContact O-N 3.03Å; S35-Q39 WeakPolarHBondContact O-CB 3.38Å; S35-Q39 PolarHBondContact O-N 2.88Å; S35-I44 WeakPolarHBondContact O-CD1 3.21Å |
| 36 | D | 94.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | -177.6 | -61.8 | -27.5 | 0 | 0 | 0 | 112.7 | S32 M33 I34 Q40 | S32-D36 PolarHBondContact O-N 2.92Å; S32-D36 VanDerWaalsContact O-OD2 3.13Å; M33-D36 PolarHBondContact O-N 3.37Å; I34-D36 PolarHBondContact O-N 2.66Å; D36-Q40 PolarHBondContact O-NE2 3.38Å |
| 37 | I | 93.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 176.1 | -70.5 | 164.9 | 0 | 0 | 0 | 110.5 | M29 M33 I34 S35 Q39 Q40 F41 W100 | M29-I37 HydrophobicContact CE-CD1 3.43Å; M29-I37 VanDerWaalsContact CE-CD1 3.43Å; M33-I37 WeakPolarHBondContact O-CD1 3.44Å; M33-I37 VanDerWaalsContact O-CG1 3.3Å; M33-I37 WeakPolarHBondContact O-CG1 3.43Å; M33-I37 PolarHBondContact O-N 3.4Å; I34-I37 PolarHBondContact O-N 2.81Å; S35-I37 VanDerWaalsContact C-N 3.35Å; S35-I37 PolarHBondContact O-N 3.28Å; I37-Q39 VanDerWaalsContact C-N 3.29Å; I37-Q39 PolarHBondContact O-N 3.11Å; I37-Q40 WeakPolarHBondContact O-CB 3.38Å; I37-Q40 PolarHBondContact O-N 3.19Å; I37-F41 HydrophobicContact CG2-CE2 4.44Å; I37-F41 WeakPolarHBondContact O-CD2 3.4Å; I37-F41 WeakPolarHBondContact O-CE2 3.49Å; I37-W100 HydrophobicContact CD1-CZ2 4.24Å; I37-W100 HydrophobicContact CG2-CZ2 4.24Å |
| 38 | M | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.9 | -31.9 | -177 | -67 | -64.2 | 171.9 | 0 | 0 | 111.2 | L22 I34 S35 Q40 F41 I44 V67 F69 V78 L82 W100 I102 | L22-M38 HydrophobicContact CD2-CE 4.31Å; I34-M38 HydrophobicContact CG2-CE 4.47Å; I34-M38 HydrophobicContact CG2-CG 4.04Å; I34-M38 VanDerWaalsContact O-CB 3.29Å; I34-M38 WeakPolarHBondContact O-CB 3.48Å; I34-M38 WeakPolarHBondContact O-CG 3.42Å; I34-M38 PolarHBondContact O-N 3.27Å; S35-M38 PolarHBondContact O-N 3.03Å; M38-Q40 PolarHBondContact O-N 2.96Å; M38-F41 PolarHBondContact O-N 3.12Å; M38-I44 VanDerWaalsContact C-CD1 3.48Å; M38-I44 HydrophobicContact CB-CD1 3.31Å; M38-I44 HydrophobicContact CB-CG1 4.33Å; M38-V67 HydrophobicContact CB-CG1 4.38Å; M38-V67 HydrophobicContact CG-CG1 4.4Å; M38-F69 HydrophobicContact CB-CZ 3.95Å; M38-F69 HydrophobicContact SD-CZ 4.31Å; M38-V78 HydrophobicContact SD-CG1 4Å; M38-L82 HydrophobicContact CE-CD1 3.87Å; M38-L82 HydrophobicContact SD-CD1 3.72Å; M38-W100 HydrophobicContact CE-CH2 4.21Å; M38-W100 HydrophobicContact CE-CZ2 4.47Å; M38-W100 HydrophobicContact CE-CZ3 4.23Å; M38-I102 HydrophobicContact CE-CD1 3.71Å |
| 39 | Q | 94.5 | Very high | 94.1 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -26.3 | -177.7 | -170.1 | 75 | 22 | 0 | 0 | 111.6 | S35 I37 F41 G42 I44 | S35-Q39 WeakPolarHBondContact O-CB 3.38Å; S35-Q39 PolarHBondContact O-N 2.88Å; I37-Q39 VanDerWaalsContact C-N 3.29Å; I37-Q39 PolarHBondContact O-N 3.11Å; Q39-F41 PolarHBondContact O-N 3.08Å; Q39-G42 WeakPolarHBondContact CA-O 3.41Å; Q39-G42 PolarHBondContact O-N 3.15Å; Q39-I44 HydrophobicContact CB-CD1 4.11Å; Q39-I44 VanDerWaalsContact N-CD1 3.29Å |
| 40 | Q | 93.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 58.7 Ų | 58.7 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.2 | 175.8 | -67.1 | 170.9 | 60.1 | 0 | 0 | 112.9 | D36 I37 M38 | D36-Q40 PolarHBondContact O-NE2 3.38Å; I37-Q40 WeakPolarHBondContact O-CB 3.38Å; I37-Q40 PolarHBondContact O-N 3.19Å; M38-Q40 PolarHBondContact O-N 2.96Å |
| 41 | F | 92.9 | Very high | 94.2 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -18 | 179.4 | -59.2 | -83.4 | 0 | 0 | 0 | 113.5 | I37 M38 Q39 I74 V78 L82 | I37-F41 HydrophobicContact CG2-CE2 4.44Å; I37-F41 WeakPolarHBondContact O-CD2 3.4Å; I37-F41 WeakPolarHBondContact O-CE2 3.49Å; M38-F41 PolarHBondContact O-N 3.12Å; Q39-F41 PolarHBondContact O-N 3.08Å; F41-I74 WeakPolarHBondContact O-CG2 3.43Å; F41-V78 HydrophobicContact CB-CG2 3.37Å; F41-V78 HydrophobicContact CD1-CG2 4.33Å; F41-V78 HydrophobicContact CG-CG2 3.88Å; F41-L82 HydrophobicContact CD2-CD1 4.24Å; F41-L82 HydrophobicContact CE1-CD2 4.38Å; F41-L82 HydrophobicContact CE2-CD1 3.75Å; F41-L82 HydrophobicContact CE2-CD2 4.17Å; F41-L82 HydrophobicContact CE2-CG 4.32Å; F41-L82 HydrophobicContact CZ-CD1 4.06Å; F41-L82 HydrophobicContact CZ-CD2 3.69Å; F41-L82 HydrophobicContact CZ-CG 4.12Å |
| 42 | G | 92.7 | Very high | 94.1 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 165.5 | 175 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q39 I44 | Q39-G42 WeakPolarHBondContact CA-O 3.41Å; Q39-G42 PolarHBondContact O-N 3.15Å; G42-I44 PolarHBondContact O-N 3.42Å |
| 43 | K | 94.2 | Very high | 93.8 | Very high | 151 Ų | 151 | 65.8 Ų | 65.8 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | trans | -69.2 | 125.6 | -180 | -63.7 | -179.2 | -178.5 | 176.6 | 0 | 111.1 | L70 | K43-L70 HydrophobicContact CB-CB 4.49Å; K43-L70 HydrophobicContact CB-CD1 3.62Å; K43-L70 HydrophobicContact CB-CG 4.12Å; K43-L70 HydrophobicContact CD-CD1 4.17Å; K43-L70 PolarHBondContact O-N 3.46Å | ||
| 44 | I | 94.5 | Very high | 93.4 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 146.9 | 176.8 | -62.1 | 169 | 0 | 0 | 0 | 109.6 | S35 M38 Q39 G42 V47 V67 E68 F69 | S35-I44 WeakPolarHBondContact O-CD1 3.21Å; M38-I44 VanDerWaalsContact C-CD1 3.48Å; M38-I44 HydrophobicContact CB-CD1 3.31Å; M38-I44 HydrophobicContact CB-CG1 4.33Å; Q39-I44 HydrophobicContact CB-CD1 4.11Å; Q39-I44 VanDerWaalsContact N-CD1 3.29Å; G42-I44 PolarHBondContact O-N 3.42Å; I44-V47 HydrophobicContact CG2-CG2 3.74Å; I44-V67 HydrophobicContact CD1-CG1 4.41Å; I44-V67 HydrophobicContact CG1-CG1 4.47Å; I44-V67 HydrophobicContact CG2-CG1 4.14Å; I44-E68 WeakPolarHBondContact CA-O 3.48Å; I44-E68 VanDerWaalsContact CG2-O 3.31Å; I44-E68 WeakPolarHBondContact CG2-O 3.42Å; I44-F69 HydrophobicContact CG1-CD1 4.19Å; I44-F69 HydrophobicContact CG1-CE1 3.95Å; I44-F69 HydrophobicContact CG1-CZ 4.32Å |
| 45 | G | 93.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 79 Ų | 79 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -94.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E68 | G45-E68 PolarHBondContact N-O 3.25Å |
| 46 | R | 94.4 | Very high | 91.9 | Very high | 128 Ų | 128 | 81.7 Ų | 81.7 | 48% | 0.483 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 148 | -173.8 | -59.2 | 167.8 | -172.9 | -178.4 | 3.2 | 112.6 | E68 W110 | R46-E68 HydrophobicContact CB-CB 4.35Å; R46-E68 WeakPolarHBondContact CB-OE2 3.41Å; R46-E68 WeakPolarHBondContact CD-OE2 3.16Å; R46-E68 VanDerWaalsContact CG-OE2 3.31Å; R46-E68 WeakPolarHBondContact CG-OE2 3.46Å; R46-E68 PolarHBondContact N-OE2 2.99Å; R46-E68 IonicContact NE-OE2 3.95Å; R46-E68 PolarHBondContact O-N 3.13Å; R46-W110 HydrophobicContact CB-CD2 3.94Å; R46-W110 HydrophobicContact CB-CE3 3.92Å; R46-W110 HydrophobicContact CB-CH2 3.5Å; R46-W110 HydrophobicContact CB-CZ2 3.53Å; R46-W110 HydrophobicContact CB-CZ3 3.71Å; R46-W110 HydrophobicContact CG-CD2 4.47Å; R46-W110 HydrophobicContact CG-CZ2 4.49Å |
| 47 | V | 96 | Very high | 91.2 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.1 | 172.5 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | V31 I44 L49 W66 V67 | V31-V47 HydrophobicContact CG1-CB 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.85Å; I44-V47 HydrophobicContact CG2-CG2 3.74Å; V47-L49 HydrophobicContact CG1-CD2 4.5Å; V47-W66 WeakPolarHBondContact CA-O 3.41Å; V47-V67 HydrophobicContact CG1-CG2 4.14Å; V47-V67 HydrophobicContact CG2-CG1 4.28Å; V47-V67 HydrophobicContact CG2-CG2 4.43Å |
| 48 | Y | 95.3 | Very high | 90.7 | Very high | 92 Ų | 92 | 86 Ų | 86 | 36% | 0.361 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 131.8 | 177.1 | -178.6 | -108.7 | 0 | 0 | 0 | 110.2 | V50 G65 W66 F114 | Y48-V50 HydrophobicContact CE1-CG2 3.92Å; Y48-G65 CarbonylContact O-C 3.57Å; Y48-G65 WeakPolarHBondContact O-CA 3.29Å; Y48-W66 AromaticContact CD1-CE3 3.62Å; Y48-W66 HydrophobicContact CD1-CE3 3.62Å; Y48-W66 AromaticContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CE1-CE3 4.35Å; Y48-W66 AromaticContact CE1-CZ3 3.85Å; Y48-W66 HydrophobicContact CE1-CZ3 3.85Å; Y48-W66 PolarHBondContact N-O 3.06Å; Y48-W66 PolarHBondContact O-N 3.29Å; Y48-F114 AromaticContact CD1-CE1 3.74Å; Y48-F114 HydrophobicContact CD1-CE1 3.74Å; Y48-F114 AromaticContact CD1-CZ 3.38Å; Y48-F114 HydrophobicContact CD1-CZ 3.38Å; Y48-F114 AromaticContact CE1-CE1 3.58Å; Y48-F114 HydrophobicContact CE1-CE1 3.58Å; Y48-F114 AromaticContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CG-CZ 4.03Å |
| 49 | L | 95.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 91.1 Ų | 91.1 | 4% | 0.042 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130.4 | 178.1 | -55.2 | -178.2 | 0 | 0 | 0 | 108.9 | L22 I25 V31 I34 V47 P51 Y62 E64 | L22-L49 HydrophobicContact CD1-CD2 4.29Å; I25-L49 HydrophobicContact CD1-CD2 3.67Å; I25-L49 HydrophobicContact CG1-CD2 4.14Å; I25-L49 HydrophobicContact CG2-CD1 4.45Å; V31-L49 HydrophobicContact CB-CD1 4.31Å; V31-L49 HydrophobicContact CG2-CB 4.32Å; V31-L49 HydrophobicContact CG2-CD1 3.66Å; V31-L49 HydrophobicContact CG2-CG 3.94Å; I34-L49 HydrophobicContact CD1-CD1 3.68Å; I34-L49 HydrophobicContact CD1-CD2 4.03Å; V47-L49 HydrophobicContact CG1-CD2 4.5Å; L49-P51 WeakPolarHBondContact O-CD 3.4Å; L49-Y62 HydrophobicContact CB-CD1 3.3Å; L49-Y62 HydrophobicContact CB-CD2 4.45Å; L49-Y62 HydrophobicContact CB-CE1 3.76Å; L49-Y62 HydrophobicContact CB-CG 3.68Å; L49-Y62 HydrophobicContact CD1-CD1 4.16Å; L49-Y62 HydrophobicContact CD1-CD2 3.87Å; L49-Y62 HydrophobicContact CD1-CE1 4.31Å; L49-Y62 HydrophobicContact CD1-CE2 4.06Å; L49-Y62 HydrophobicContact CD1-CG 3.92Å; L49-Y62 HydrophobicContact CG-CD1 4.4Å; L49-Y62 HydrophobicContact CG-CG 4.46Å; L49-E64 CarbonylContact C-O 3.58Å; L49-E64 WeakPolarHBondContact CA-O 3.39Å |
| 50 | V | 93.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 93.8 Ų | 93.8 | 19% | 0.188 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 116.2 | 178.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | Y48 Y62 E63 E64 W66 | Y48-V50 HydrophobicContact CE1-CG2 3.92Å; V50-Y62 CarbonylContact O-C 3.46Å; V50-Y62 WeakPolarHBondContact O-CA 3.17Å; V50-Y62 WeakPolarHBondContact O-CB 3.31Å; V50-E63 PolarHBondContact O-N 2.94Å; V50-E64 HydrophobicContact CB-CG 3.99Å; V50-E64 HydrophobicContact CG2-CG 3.61Å; V50-E64 PolarHBondContact N-O 3.49Å; V50-W66 HydrophobicContact CG2-CH2 3.83Å; V50-W66 HydrophobicContact CG2-CZ3 3.48Å; V50-W66 VanDerWaalsContact CG2-CZ3 3.48Å |
| 51 | P | 93.5 | Very high | 89.7 | Confident | 50 Ų | 50 | 89 Ų | 89 | 33% | 0.325 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.6 | 177.9 | 29.9 | -33.8 | 0 | 0 | 0 | 110.8 | L49 K53 Y62 | L49-P51 WeakPolarHBondContact O-CD 3.4Å; P51-K53 PolarHBondContact O-N 2.94Å; P51-Y62 HydrophobicContact CB-CD1 4.35Å; P51-Y62 HydrophobicContact CB-CE1 4.44Å |
| 52 | K | 91.7 | Very high | 89.8 | Confident | 89 Ų | 89 | 87.6 Ų | 87.6 | 39% | 0.387 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.5 | 172.3 | -71.1 | -169.8 | 179.1 | 177.8 | 0 | 110.5 | K54 Q61 Y62 E63 | K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 3.21Å; K52-Q61 HydrophobicContact CB-CB 4.45Å; K52-Q61 HydrophobicContact CD-CB 3.9Å; K52-Q61 HydrophobicContact CG-CB 4.24Å; K52-Q61 PolarHBondContact N-O 3.16Å; K52-Y62 WeakPolarHBondContact CE-O 3.43Å; K52-E63 HydrophobicContact CG-CB 4.06Å |
| 53 | K | 88.3 | Confident | 89.8 | Confident | 213 Ų | 213 | 92 Ų | 92 | 93% | 0.926 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -59.7 | -34.6 | 179.3 | -65.9 | -177.4 | -178.8 | 177.4 | 0 | 113 | P51 | P51-K53 PolarHBondContact O-N 2.94Š|
| 54 | K | 85.1 | Confident | 89.8 | Confident | 172 Ų | 172 | 87.6 Ų | 87.6 | 75% | 0.748 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -103.7 | 122.2 | 177.2 | -64.5 | -175.9 | -178.5 | 180 | 0 | 109.3 | K52 V56 | K52-K54 VanDerWaalsContact C-N 3.26Å; K52-K54 PolarHBondContact O-N 3.21Å; K54-V56 HydrophobicContact CB-CG2 4.45Å; K54-V56 PolarHBondContact O-N 2.66Å; K54-V56 VanDerWaalsContact O-N 3.16Å |
| 55 | K | 80.3 | Confident | 89.9 | Confident | 166 Ų | 166 | 86.5 Ų | 86.5 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | trans | -71.8 | 106.4 | 170.3 | -174.8 | 178.2 | -180 | -178 | 0 | 108.5 | ||||
| 56 | V | 78.3 | Confident | 90 | Very high | 92 Ų | 92 | 86 Ų | 86 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | trans | -107 | 117 | 171.7 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | K54 Q61 | K54-V56 HydrophobicContact CB-CG2 4.45Å; K54-V56 PolarHBondContact O-N 2.66Å; K54-V56 VanDerWaalsContact O-N 3.16Å; V56-Q61 PolarHBondContact O-OE1 2.85Å; V56-Q61 VanDerWaalsContact O-OE1 3.12Å | ||
| 57 | G | 80.1 | Confident | 90.1 | Very high | 57 Ų | 57 | 79.9 Ų | 79.9 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 87.4 | -170.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 58 | K | 83.2 | Confident | 90.1 | Very high | 168 Ų | 168 | 79.2 Ų | 79.2 | 73% | 0.73 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -73.4 | -33.7 | -171.2 | -171.6 | 176.8 | 179.5 | -177.7 | 0 | 112.9 | ||
| 59 | Y | 83.3 | Confident | 90.2 | Very high | 107 Ų | 107 | 74.9 Ų | 74.9 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -100.8 | 158.4 | -170.9 | -50.2 | -71.4 | 0 | 0 | 0 | 111.9 | Q61 P94 | Y59-Q61 PolarHBondContact O-N 2.84Å; Y59-P94 HydrophobicContact CD2-CG 4.09Å; Y59-P94 HydrophobicContact CE2-CB 4.26Å; Y59-P94 HydrophobicContact CE2-CG 3.47Å; Y59-P94 VanDerWaalsContact CE2-CG 3.47Å |
| 60 | R | 86.5 | Confident | 90.1 | Very high | 148 Ų | 148 | 78.3 Ų | 78.3 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | trans | -69.6 | 129.5 | 169 | -171.5 | 170.4 | -177.7 | 170.3 | 0.5 | 107.8 | Y62 | R60-Y62 HydrophobicContact CG-CE2 4.28Š| ||
| 61 | Q | 90.7 | Very high | 90 | Very high | 37 Ų | 37 | 78.2 Ų | 78.2 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | trans | -110.1 | 148.8 | 178.6 | -67.1 | -179.7 | -40.1 | 0 | 0 | 109.6 | N27 K52 V56 Y59 | N27-Q61 PolarHBondContact OD1-NE2 3.06Å; K52-Q61 HydrophobicContact CB-CB 4.45Å; K52-Q61 HydrophobicContact CD-CB 3.9Å; K52-Q61 HydrophobicContact CG-CB 4.24Å; K52-Q61 PolarHBondContact N-O 3.16Å; V56-Q61 PolarHBondContact O-OE1 2.85Å; V56-Q61 VanDerWaalsContact O-OE1 3.12Å; Y59-Q61 PolarHBondContact O-N 2.84Å | ||
| 62 | Y | 94.5 | Very high | 90 | Very high | 18 Ų | 18 | 80.3 Ų | 80.3 | 7% | 0.071 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.9 | 177.4 | -58.7 | -85.9 | 0 | 0 | 0 | 108.9 | I25 M29 L49 V50 P51 K52 R60 | I25-Y62 HydrophobicContact CG2-CD2 4.26Å; M29-Y62 WeakPolarHBondContact O-CE2 3.29Å; L49-Y62 HydrophobicContact CB-CD1 3.3Å; L49-Y62 HydrophobicContact CB-CD2 4.45Å; L49-Y62 HydrophobicContact CB-CE1 3.76Å; L49-Y62 HydrophobicContact CB-CG 3.68Å; L49-Y62 HydrophobicContact CD1-CD1 4.16Å; L49-Y62 HydrophobicContact CD1-CD2 3.87Å; L49-Y62 HydrophobicContact CD1-CE1 4.31Å; L49-Y62 HydrophobicContact CD1-CE2 4.06Å; L49-Y62 HydrophobicContact CD1-CG 3.92Å; L49-Y62 HydrophobicContact CG-CD1 4.4Å; L49-Y62 HydrophobicContact CG-CG 4.46Å; V50-Y62 CarbonylContact O-C 3.46Å; V50-Y62 WeakPolarHBondContact O-CA 3.17Å; V50-Y62 WeakPolarHBondContact O-CB 3.31Å; P51-Y62 HydrophobicContact CB-CD1 4.35Å; P51-Y62 HydrophobicContact CB-CE1 4.44Å; K52-Y62 WeakPolarHBondContact CE-O 3.43Å; R60-Y62 HydrophobicContact CG-CE2 4.28Å |
| 63 | E | 93.3 | Very high | 90.1 | Very high | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -56.9 | -179.8 | -170.1 | 162.6 | -178.9 | 0 | 0 | 109.7 | V50 K52 | V50-E63 PolarHBondContact O-N 2.94Å; K52-E63 HydrophobicContact CG-CB 4.06Å |
| 64 | E | 94.4 | Very high | 90.4 | Very high | 57 Ų | 57 | 72.9 Ų | 72.9 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 174.1 | -179.3 | 62.7 | -177 | 174.3 | 0 | 0 | 110.6 | Y21 L22 L49 V50 W66 | Y21-E64 HydrophobicContact CE2-CB 3.95Å; Y21-E64 HydrophobicContact CE2-CG 4.43Å; Y21-E64 VanDerWaalsContact CE2-OE2 3.3Å; Y21-E64 WeakPolarHBondContact CE2-OE2 3.46Å; Y21-E64 PolarHBondContact OH-OE2 3.34Å; L22-E64 CarbonylContact O-C 3.43Å; L22-E64 VanDerWaalsContact O-CA 3.32Å; L22-E64 WeakPolarHBondContact O-CA 3.47Å; L49-E64 CarbonylContact C-O 3.58Å; L49-E64 WeakPolarHBondContact CA-O 3.39Å; V50-E64 HydrophobicContact CB-CG 3.99Å; V50-E64 HydrophobicContact CG2-CG 3.61Å; V50-E64 PolarHBondContact N-O 3.49Å; E64-W66 HydrophobicContact CG-CH2 3.9Å; E64-W66 HydrophobicContact CG-CZ2 4.46Å; E64-W66 HydrophobicContact CG-CZ3 4.3Å; E64-W66 WeakPolarHBondContact OE1-CH2 3.49Å |
| 65 | G | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y21 L22 Y48 | Y21-G65 WeakPolarHBondContact CD2-O 3.37Å; L22-G65 PolarHBondContact N-O 2.83Å; L22-G65 PolarHBondContact O-N 3.46Å; Y48-G65 CarbonylContact O-C 3.57Å; Y48-G65 WeakPolarHBondContact O-CA 3.29Å |
| 66 | W | 96.6 | Very high | 91.6 | Very high | 29 Ų | 29 | 62.2 Ų | 62.2 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.3 | 178.9 | -57.8 | -97.3 | 0 | 0 | 0 | 110.3 | I19 I20 Y21 V47 Y48 V50 E64 W110 L113 F114 | I19-W66 HydrophobicContact CG2-CB 4.13Å; I19-W66 HydrophobicContact CG2-CG 4.48Å; I20-W66 CarbonylContact O-C 3.59Å; I20-W66 VanDerWaalsContact O-CA 3.3Å; I20-W66 WeakPolarHBondContact O-CA 3.46Å; Y21-W66 AromaticContact CD2-CD1 3.89Å; Y21-W66 HydrophobicContact CD2-CD2 4.5Å; Y21-W66 AromaticContact CD2-CE2 3.87Å; Y21-W66 HydrophobicContact CD2-CZ2 4.35Å; Y21-W66 AromaticContact CD2-NE1 3.44Å; Y21-W66 HydrophobicContact CE2-CZ2 4.11Å; V47-W66 WeakPolarHBondContact CA-O 3.41Å; Y48-W66 AromaticContact CD1-CE3 3.62Å; Y48-W66 HydrophobicContact CD1-CE3 3.62Å; Y48-W66 AromaticContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CD1-CZ3 3.59Å; Y48-W66 HydrophobicContact CE1-CE3 4.35Å; Y48-W66 AromaticContact CE1-CZ3 3.85Å; Y48-W66 HydrophobicContact CE1-CZ3 3.85Å; Y48-W66 PolarHBondContact N-O 3.06Å; Y48-W66 PolarHBondContact O-N 3.29Å; V50-W66 HydrophobicContact CG2-CH2 3.83Å; V50-W66 HydrophobicContact CG2-CZ3 3.48Å; V50-W66 VanDerWaalsContact CG2-CZ3 3.48Å; E64-W66 HydrophobicContact CG-CH2 3.9Å; E64-W66 HydrophobicContact CG-CZ2 4.46Å; E64-W66 HydrophobicContact CG-CZ3 4.3Å; E64-W66 WeakPolarHBondContact OE1-CH2 3.49Å; W66-W110 HydrophobicContact CB-CH2 4.39Å; W66-W110 HydrophobicContact CB-CZ3 4.17Å; W66-L113 HydrophobicContact CB-CD1 3.85Å; W66-L113 HydrophobicContact CD2-CD1 4.2Å; W66-L113 HydrophobicContact CG-CD1 3.59Å; W66-L113 HydrophobicContact CG-CD2 4.44Å; W66-F114 HydrophobicContact CE3-CZ 4.21Å; W66-F114 HydrophobicContact CZ3-CE1 4.28Å; W66-F114 HydrophobicContact CZ3-CZ 4.32Å |
| 67 | V | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.6 | 176.6 | 178.9 | 0 | 0 | 0 | 0 | 108 | I19 I20 L22 I34 M38 I44 V47 F69 | I19-V67 WeakPolarHBondContact CA-O 3.26Å; I20-V67 HydrophobicContact CB-CB 4.48Å; I20-V67 PolarHBondContact N-O 3.21Å; I20-V67 PolarHBondContact O-N 3.11Å; L22-V67 HydrophobicContact CD1-CG2 3.89Å; L22-V67 HydrophobicContact CG-CG2 4.44Å; I34-V67 HydrophobicContact CG2-CG2 4.18Å; M38-V67 HydrophobicContact CB-CG1 4.38Å; M38-V67 HydrophobicContact CG-CG1 4.4Å; I44-V67 HydrophobicContact CD1-CG1 4.41Å; I44-V67 HydrophobicContact CG1-CG1 4.47Å; I44-V67 HydrophobicContact CG2-CG1 4.14Å; V47-V67 HydrophobicContact CG1-CG2 4.14Å; V47-V67 HydrophobicContact CG2-CG1 4.28Å; V47-V67 HydrophobicContact CG2-CG2 4.43Å; V67-F69 HydrophobicContact CG1-CD2 4.18Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CZ 4.38Å |
| 68 | E | 96 | Very high | 93.1 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 9% | 0.089 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121 | 175.5 | 179.4 | -176.8 | -129.5 | 0 | 0 | 110 | P17 I19 I44 G45 R46 W110 | P17-E68 HydrophobicContact CB-CG 4.03Å; I19-E68 HydrophobicContact CG1-CB 4.4Å; I19-E68 HydrophobicContact CG1-CG 4.5Å; I44-E68 WeakPolarHBondContact CA-O 3.48Å; I44-E68 VanDerWaalsContact CG2-O 3.31Å; I44-E68 WeakPolarHBondContact CG2-O 3.42Å; G45-E68 PolarHBondContact N-O 3.25Å; R46-E68 HydrophobicContact CB-CB 4.35Å; R46-E68 WeakPolarHBondContact CB-OE2 3.41Å; R46-E68 WeakPolarHBondContact CD-OE2 3.16Å; R46-E68 VanDerWaalsContact CG-OE2 3.31Å; R46-E68 WeakPolarHBondContact CG-OE2 3.46Å; R46-E68 PolarHBondContact N-OE2 2.99Å; R46-E68 IonicContact NE-OE2 3.95Å; R46-E68 PolarHBondContact O-N 3.13Å; E68-W110 HydrophobicContact CB-CE3 3.71Å; E68-W110 HydrophobicContact CB-CZ3 3.77Å; E68-W110 HydrophobicContact CG-CE3 4.45Å |
| 69 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 144.1 | 165.5 | -73.6 | -95 | 0 | 0 | 0 | 109.5 | P17 G18 I20 M38 I44 V67 N71 I74 A75 V78 | P17-F69 VanDerWaalsContact CA-O 3.29Å; P17-F69 WeakPolarHBondContact CA-O 3Å; G18-F69 PolarHBondContact N-O 3.44Å; G18-F69 PolarHBondContact O-N 3.05Å; I20-F69 HydrophobicContact CD1-CD2 3.82Å; I20-F69 HydrophobicContact CD1-CE2 3.4Å; I20-F69 VanDerWaalsContact CD1-CE2 3.4Å; I20-F69 HydrophobicContact CD1-CZ 4.36Å; I20-F69 HydrophobicContact CG1-CD2 4.04Å; I20-F69 HydrophobicContact CG1-CE2 4.04Å; M38-F69 HydrophobicContact CB-CZ 3.95Å; M38-F69 HydrophobicContact SD-CZ 4.31Å; I44-F69 HydrophobicContact CG1-CD1 4.19Å; I44-F69 HydrophobicContact CG1-CE1 3.95Å; I44-F69 HydrophobicContact CG1-CZ 4.32Å; V67-F69 HydrophobicContact CG1-CD2 4.18Å; V67-F69 HydrophobicContact CG1-CE2 3.73Å; V67-F69 HydrophobicContact CG1-CZ 4.38Å; F69-N71 PolarHBondContact O-N 3.01Å; F69-I74 HydrophobicContact CD1-CG2 3.66Å; F69-I74 HydrophobicContact CE1-CG2 4.01Å; F69-I74 HydrophobicContact CG-CG2 4.34Å; F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 4.07Å; F69-A75 HydrophobicContact CG-CB 4.31Å; F69-V78 HydrophobicContact CE1-CG2 4.25Å; F69-V78 HydrophobicContact CE2-CG1 4.3Å; F69-V78 HydrophobicContact CZ-CB 4.33Å; F69-V78 HydrophobicContact CZ-CG1 4.02Å; F69-V78 HydrophobicContact CZ-CG2 4.07Å |
| 70 | L | 93.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 55 Ų | 55 | 42% | 0.424 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -62.1 | -24.9 | 176.2 | -62.7 | -175.8 | 0 | 0 | 0 | 112.6 | V16 K43 | V16-L70 CarbonylContact C-O 3.54Å; K43-L70 HydrophobicContact CB-CB 4.49Å; K43-L70 HydrophobicContact CB-CD1 3.62Å; K43-L70 HydrophobicContact CB-CG 4.12Å; K43-L70 HydrophobicContact CD-CD1 4.17Å; K43-L70 PolarHBondContact O-N 3.46Å |
| 71 | N | 93 | Very high | 94.6 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 15% | 0.15 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -122.3 | 121.1 | 178 | -171.5 | -30 | 0 | 0 | 0 | 111.4 | V12 F69 K73 I74 A75 | V12-N71 PolarHBondContact O-ND2 3.47Å; F69-N71 PolarHBondContact O-N 3.01Å; N71-K73 PolarHBondContact O-N 2.89Å; N71-K73 WeakPolarHBondContact OD1-CB 3.44Å; N71-K73 PolarHBondContact OD1-N 3.24Å; N71-I74 HydrophobicContact CB-CB 4.45Å; N71-I74 HydrophobicContact CB-CD1 4.06Å; N71-I74 HydrophobicContact CB-CG1 4.14Å; N71-I74 WeakPolarHBondContact O-CB 3.44Å; N71-I74 PolarHBondContact O-N 2.89Å; N71-I74 VanDerWaalsContact O-N 3.13Å; N71-A75 PolarHBondContact O-N 2.81Å; N71-A75 VanDerWaalsContact O-N 3.11Å |
| 72 | K | 93.6 | Very high | 94.8 | Very high | 95 Ų | 95 | 53.6 Ų | 53.6 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -29.4 | 178.3 | 76.4 | -178.7 | -178.5 | -173.7 | 0 | 114.7 | V16 A75 K76 | V16-K72 HydrophobicContact CB-CD 4.26Å; V16-K72 HydrophobicContact CG1-CD 4.08Å; V16-K72 PolarHBondContact O-N 2.89Å; K72-A75 PolarHBondContact O-N 3.03Å; K72-K76 WeakPolarHBondContact O-CB 3.19Å; K72-K76 PolarHBondContact O-N 3.31Å |
| 73 | K | 92.9 | Very high | 94.8 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.9 | -67.6 | -172.8 | 175.9 | -175.9 | 0 | 110.7 | V12 N71 K76 R77 | V12-K73 HydrophobicContact CB-CD 4.08Å; V12-K73 HydrophobicContact CG1-CD 3.85Å; V12-K73 VanDerWaalsContact CG1-CE 3.48Å; V12-K73 HydrophobicContact CG2-CD 4Å; N71-K73 PolarHBondContact O-N 2.89Å; N71-K73 WeakPolarHBondContact OD1-CB 3.44Å; N71-K73 PolarHBondContact OD1-N 3.24Å; K73-K76 PolarHBondContact O-N 2.82Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.03Å |
| 74 | I | 93.9 | Very high | 94.8 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 174.5 | -62.5 | 178.8 | 0 | 0 | 0 | 109.3 | F41 F69 N71 K76 R77 V78 | F41-I74 WeakPolarHBondContact O-CG2 3.43Å; F69-I74 HydrophobicContact CD1-CG2 3.66Å; F69-I74 HydrophobicContact CE1-CG2 4.01Å; F69-I74 HydrophobicContact CG-CG2 4.34Å; N71-I74 HydrophobicContact CB-CB 4.45Å; N71-I74 HydrophobicContact CB-CD1 4.06Å; N71-I74 HydrophobicContact CB-CG1 4.14Å; N71-I74 WeakPolarHBondContact O-CB 3.44Å; N71-I74 PolarHBondContact O-N 2.89Å; N71-I74 VanDerWaalsContact O-N 3.13Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.42Å; I74-R77 PolarHBondContact O-N 2.85Å; I74-V78 HydrophobicContact CG2-CG2 3.95Å; I74-V78 WeakPolarHBondContact O-CB 3.31Å; I74-V78 VanDerWaalsContact O-CG2 3.29Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 2.85Å |
| 75 | A | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -52.2 | -47.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I20 F69 N71 K72 R77 V78 A79 F104 | I20-A75 HydrophobicContact CD1-CB 4.35Å; I20-A75 VanDerWaalsContact CD1-O 3.23Å; I20-A75 WeakPolarHBondContact CD1-O 3.05Å; I20-A75 HydrophobicContact CG1-CB 3.96Å; F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 4.07Å; F69-A75 HydrophobicContact CG-CB 4.31Å; N71-A75 PolarHBondContact O-N 2.81Å; N71-A75 VanDerWaalsContact O-N 3.11Å; K72-A75 PolarHBondContact O-N 3.03Å; A75-R77 PolarHBondContact O-N 3.32Å; A75-V78 PolarHBondContact O-N 3.2Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 2.93Å; A75-F104 HydrophobicContact CB-CD2 3.79Å; A75-F104 HydrophobicContact CB-CE2 3.79Å |
| 76 | K | 95.1 | Very high | 94.7 | Very high | 113 Ų | 113 | 60.2 Ų | 60.2 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 178.7 | -170.5 | 176.9 | -176.4 | 176.4 | 0 | 112.6 | K72 K73 I74 K80 F104 | K72-K76 WeakPolarHBondContact O-CB 3.19Å; K72-K76 PolarHBondContact O-N 3.31Å; K73-K76 PolarHBondContact O-N 2.82Å; I74-K76 VanDerWaalsContact C-N 3.29Å; I74-K76 PolarHBondContact O-N 3.42Å; K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.88Å; K76-F104 HydrophobicContact CB-CD1 4.41Å; K76-F104 HydrophobicContact CB-CD2 4.37Å; K76-F104 HydrophobicContact CB-CG 4.3Å; K76-F104 HydrophobicContact CG-CD1 4.34Å |
| 77 | R | 94.9 | Very high | 94.5 | Very high | 104 Ų | 104 | 59 Ų | 59 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 177.5 | -175.7 | -174.8 | -63.6 | 168 | -2.8 | 111.2 | D10 K73 I74 A75 K80 R81 | D10-R77 IonicContact OD2-CZ 3.8Å; D10-R77 IonicContact OD2-NH2 2.66Å; D10-R77 PolarHBondContact OD2-NH2 2.82Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.03Å; I74-R77 PolarHBondContact O-N 2.85Å; A75-R77 PolarHBondContact O-N 3.32Å; R77-K80 PolarHBondContact O-N 3.09Å; R77-R81 WeakPolarHBondContact O-CB 3.23Å; R77-R81 PolarHBondContact O-N 3.49Å |
| 78 | V | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -48.4 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | I20 M38 F41 F69 I74 A75 K80 R81 L82 | I20-V78 HydrophobicContact CD1-CB 3.8Å; I20-V78 HydrophobicContact CD1-CG1 3.68Å; M38-V78 HydrophobicContact SD-CG1 4Å; F41-V78 HydrophobicContact CB-CG2 3.37Å; F41-V78 HydrophobicContact CD1-CG2 4.33Å; F41-V78 HydrophobicContact CG-CG2 3.88Å; F69-V78 HydrophobicContact CE1-CG2 4.25Å; F69-V78 HydrophobicContact CE2-CG1 4.3Å; F69-V78 HydrophobicContact CZ-CB 4.33Å; F69-V78 HydrophobicContact CZ-CG1 4.02Å; F69-V78 HydrophobicContact CZ-CG2 4.07Å; I74-V78 HydrophobicContact CG2-CG2 3.95Å; I74-V78 WeakPolarHBondContact O-CB 3.31Å; I74-V78 VanDerWaalsContact O-CG2 3.29Å; I74-V78 WeakPolarHBondContact O-CG2 3.49Å; I74-V78 PolarHBondContact O-N 2.85Å; A75-V78 PolarHBondContact O-N 3.2Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.81Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.16Å; V78-L82 HydrophobicContact CG1-CD1 3.62Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 PolarHBondContact O-N 2.93Å |
| 79 | A | 96.1 | Very high | 93.7 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I20 A75 R81 N83 I102 F104 | I20-A79 HydrophobicContact CD1-CB 4.27Å; A75-A79 WeakPolarHBondContact O-CB 3.44Å; A75-A79 PolarHBondContact O-N 2.93Å; A79-R81 PolarHBondContact O-N 3.23Å; A79-N83 WeakPolarHBondContact O-CB 3.29Å; A79-N83 PolarHBondContact O-N 3.18Å; A79-N83 VanDerWaalsContact O-N 3.09Å; A79-I102 HydrophobicContact CB-CG2 4.19Å; A79-F104 HydrophobicContact CB-CB 3.75Å |
| 80 | K | 95.5 | Very high | 93.4 | Very high | 161 Ų | 161 | 69.8 Ų | 69.8 | 70% | 0.7 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.5 | -37.4 | 177.2 | -74.9 | -178 | 175.4 | -165.4 | 0 | 113.6 | K76 R77 V78 | K76-K80 WeakPolarHBondContact O-CG 3.48Å; K76-K80 PolarHBondContact O-N 2.88Å; R77-K80 PolarHBondContact O-N 3.09Å; V78-K80 VanDerWaalsContact C-N 3.31Å; V78-K80 PolarHBondContact O-N 2.81Å |
| 81 | R | 94.2 | Very high | 93.2 | Very high | 140 Ų | 140 | 74.3 Ų | 74.3 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -80.5 | -39.2 | -175.2 | -175.7 | 174.3 | -179.2 | 164 | 1.5 | 112.6 | R77 V78 A79 T85 | R77-R81 WeakPolarHBondContact O-CB 3.23Å; R77-R81 PolarHBondContact O-N 3.49Å; V78-R81 PolarHBondContact O-N 2.97Å; V78-R81 VanDerWaalsContact O-N 3.16Å; A79-R81 PolarHBondContact O-N 3.23Å; R81-T85 WeakPolarHBondContact O-CG2 3.42Å |
| 82 | L | 93.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 84 Ų | 84 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -90.8 | -25 | -175.1 | -71.4 | -176.9 | 0 | 0 | 0 | 113.4 | M38 F41 V78 C84 T85 W100 I102 | M38-L82 HydrophobicContact CE-CD1 3.87Å; M38-L82 HydrophobicContact SD-CD1 3.72Å; F41-L82 HydrophobicContact CD2-CD1 4.24Å; F41-L82 HydrophobicContact CE1-CD2 4.38Å; F41-L82 HydrophobicContact CE2-CD1 3.75Å; F41-L82 HydrophobicContact CE2-CD2 4.17Å; F41-L82 HydrophobicContact CE2-CG 4.32Å; F41-L82 HydrophobicContact CZ-CD1 4.06Å; F41-L82 HydrophobicContact CZ-CD2 3.69Å; F41-L82 HydrophobicContact CZ-CG 4.12Å; V78-L82 HydrophobicContact CG1-CD1 3.62Å; V78-L82 HydrophobicContact CG1-CG 4.21Å; V78-L82 WeakPolarHBondContact O-CB 3.38Å; V78-L82 PolarHBondContact O-N 2.93Å; L82-C84 PolarHBondContact O-N 2.85Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 WeakPolarHBondContact O-CB 3.26Å; L82-T85 PolarHBondContact O-N 2.99Å; L82-T85 PolarHBondContact O-OG1 3.12Å; L82-W100 WeakPolarHBondContact O-CB 3.3Å; L82-I102 HydrophobicContact CB-CD1 3.86Å; L82-I102 HydrophobicContact CD1-CD1 4.31Å |
| 83 | N | 95.4 | Very high | 93 | Very high | 63 Ų | 63 | 81.9 Ų | 81.9 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 133.3 | 179.7 | -173.7 | 53.7 | 0 | 0 | 0 | 111.1 | A79 T85 I102 | A79-N83 WeakPolarHBondContact O-CB 3.29Å; A79-N83 PolarHBondContact O-N 3.18Å; A79-N83 VanDerWaalsContact O-N 3.09Å; N83-T85 PolarHBondContact O-N 3.41Å; N83-I102 HydrophobicContact CB-CB 4.41Å; N83-I102 WeakPolarHBondContact CB-O 3.45Å; N83-I102 VanDerWaalsContact CG-O 3.3Å; N83-I102 PolarHBondContact OD1-N 3.29Å; N83-I102 PolarHBondContact OD1-O 3.46Å; N83-I102 VanDerWaalsContact OD1-O 3.11Å |
| 84 | C | 93.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 79.8 Ų | 79.8 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 22.8 | -175.2 | -55.1 | 0 | 0 | 0 | 0 | 115.1 | L82 W100 | L82-C84 PolarHBondContact O-N 2.85Å; C84-W100 PolarHBondContact N-O 3.06Å |
| 85 | T | 94.5 | Very high | 92.7 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 31% | 0.307 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -101.9 | 150.9 | 171.2 | 65.7 | 0 | 0 | 0 | 0 | 111.2 | R81 L82 N83 L99 W100 | R81-T85 WeakPolarHBondContact O-CG2 3.42Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 WeakPolarHBondContact O-CB 3.26Å; L82-T85 PolarHBondContact O-N 2.99Å; L82-T85 PolarHBondContact O-OG1 3.12Å; N83-T85 PolarHBondContact O-N 3.41Å; T85-L99 WeakPolarHBondContact O-CA 3.45Å; T85-W100 PolarHBondContact O-N 2.92Å |
| 86 | E | 93.8 | Very high | 92.5 | Very high | 123 Ų | 123 | 83.2 Ų | 83.2 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -66.9 | 141.6 | 176.1 | -68.4 | 179.9 | -175.4 | 0 | 0 | 111.5 | L88 E98 L99 | E86-L88 PolarHBondContact O-N 3.16Å; E86-E98 WeakPolarHBondContact CA-O 3.3Å; E86-L99 HydrophobicContact CB-CD2 4.4Å; E86-L99 HydrophobicContact CG-CD2 3.63Å |
| 87 | V | 92.2 | Very high | 92.3 | Very high | 4 Ų | 4 | 79.8 Ų | 79.8 | 2% | 0.024 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 118 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | P26 M29 G89 W95 E98 W100 | P26-V87 HydrophobicContact CB-CG2 4.09Å; P26-V87 HydrophobicContact CG-CG2 3.51Å; M29-V87 HydrophobicContact CE-CG1 4.43Å; M29-V87 HydrophobicContact SD-CG1 3.95Å; V87-G89 PolarHBondContact O-N 2.83Å; V87-W95 VanDerWaalsContact CG1-CD1 3.43Å; V87-W95 HydrophobicContact CG1-CG 4.33Å; V87-E98 WeakPolarHBondContact CG2-O 3.14Å; V87-E98 PolarHBondContact N-O 2.85Å; V87-W100 HydrophobicContact CB-CZ2 4.5Å; V87-W100 HydrophobicContact CG1-CZ2 3.88Å; V87-W100 HydrophobicContact CG2-CD2 3.89Å; V87-W100 HydrophobicContact CG2-CE3 4.49Å; V87-W100 HydrophobicContact CG2-CG 4.14Å; V87-W100 HydrophobicContact CG2-CZ2 4.06Å |
| 88 | L | 88 | Confident | 92.2 | Very high | 139 Ų | 139 | 77.1 Ų | 77.1 | 73% | 0.728 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129.7 | 176.9 | -65.3 | 176.2 | 0 | 0 | 0 | 110.6 | E86 | E86-L88 PolarHBondContact O-N 3.16Š|
| 89 | G | 86.8 | Confident | 92.2 | Very high | 40 Ų | 40 | 81.8 Ų | 81.8 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | trans | -179.8 | 167.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V87 | V87-G89 PolarHBondContact O-N 2.83Š| ||
| 90 | S | 89.7 | Confident | 92.1 | Very high | 65 Ų | 65 | 81.8 Ų | 81.8 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | trans | -71.8 | 150.5 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | R92 N93 | S90-R92 PolarHBondContact O-N 2.82Å; S90-N93 PolarHBondContact N-ND2 2.98Å; S90-N93 WeakPolarHBondContact O-CB 3.36Å; S90-N93 PolarHBondContact O-N 2.96Å | ||
| 91 | K | 90.5 | Very high | 92.1 | Very high | 176 Ų | 176 | 77.6 Ų | 77.6 | 77% | 0.765 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -16 | 173.2 | -65.8 | -171.9 | 176.9 | -175.3 | 0 | 114.1 | F96 | K91-F96 HydrophobicContact CB-CE2 4.48Å; K91-F96 HydrophobicContact CD-CZ 4.42Å; K91-F96 HydrophobicContact CG-CD1 4.48Å; K91-F96 HydrophobicContact CG-CD2 4.24Å; K91-F96 HydrophobicContact CG-CE1 4.01Å; K91-F96 HydrophobicContact CG-CE2 3.75Å; K91-F96 HydrophobicContact CG-CZ 3.64Å |
| 92 | R | 91.5 | Very high | 92.1 | Very high | 231 Ų | 231 | 71.1 Ų | 71.1 | 87% | 0.872 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -14.3 | 177.3 | -61.6 | -176.4 | -178.4 | 178.3 | 0.4 | 113.4 | S90 | S90-R92 PolarHBondContact O-N 2.82Š|
| 93 | N | 90.1 | Very high | 92.3 | Very high | 52 Ų | 52 | 77.3 Ų | 77.3 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -78.2 | 141.5 | -176.1 | -67.3 | -9.1 | 0 | 0 | 0 | 110.4 | S90 W95 F96 | S90-N93 PolarHBondContact N-ND2 2.98Å; S90-N93 WeakPolarHBondContact O-CB 3.36Å; S90-N93 PolarHBondContact O-N 2.96Å; N93-W95 HydrophobicContact CB-CD2 3.88Å; N93-W95 HydrophobicContact CB-CE3 4.29Å; N93-W95 HydrophobicContact CB-CG 4.37Å; N93-W95 HydrophobicContact CB-CH2 4.16Å; N93-W95 HydrophobicContact CB-CZ2 3.72Å; N93-W95 HydrophobicContact CB-CZ3 4.45Å; N93-W95 WeakPolarHBondContact ND2-CZ2 3.39Å; N93-W95 PolarHBondContact O-N 3.47Å; N93-F96 VanDerWaalsContact O-CB 3.31Å; N93-F96 WeakPolarHBondContact O-CB 3.09Å; N93-F96 PolarHBondContact O-N 2.79Å; N93-F96 VanDerWaalsContact O-N 3.11Å |
| 94 | P | 89.3 | Confident | 92.3 | Very high | 57 Ų | 57 | 76.9 Ų | 76.9 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28.5 | 179.6 | -23.9 | 32 | 0 | 0 | 0 | 114.7 | Y59 F96 | Y59-P94 HydrophobicContact CD2-CG 4.09Å; Y59-P94 HydrophobicContact CE2-CB 4.26Å; Y59-P94 HydrophobicContact CE2-CG 3.47Å; Y59-P94 VanDerWaalsContact CE2-CG 3.47Å; P94-F96 VanDerWaalsContact C-N 3.34Å |
| 95 | W | 90.3 | Very high | 92.4 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 8% | 0.08 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 9 | 179.9 | 56.3 | 86.8 | 0 | 0 | 0 | 114 | P26 N27 G28 M29 M33 V87 N93 G97 E98 | P26-W95 HydrophobicContact CB-CB 3.58Å; P26-W95 HydrophobicContact CB-CG 4.46Å; N27-W95 VanDerWaalsContact O-CE3 3.27Å; G28-W95 WeakPolarHBondContact O-CZ3 3.32Å; M29-W95 HydrophobicContact CG-CD2 3.88Å; M29-W95 HydrophobicContact CG-CE3 4.01Å; M29-W95 HydrophobicContact CG-CG 4.12Å; M33-W95 HydrophobicContact CE-CH2 3.31Å; M33-W95 HydrophobicContact CE-CZ2 3.3Å; M33-W95 HydrophobicContact CE-CZ3 4.34Å; M33-W95 HydrophobicContact SD-CH2 3.94Å; M33-W95 HydrophobicContact SD-CZ2 4.44Å; V87-W95 VanDerWaalsContact CG1-CD1 3.43Å; V87-W95 HydrophobicContact CG1-CG 4.33Å; N93-W95 HydrophobicContact CB-CD2 3.88Å; N93-W95 HydrophobicContact CB-CE3 4.29Å; N93-W95 HydrophobicContact CB-CG 4.37Å; N93-W95 HydrophobicContact CB-CH2 4.16Å; N93-W95 HydrophobicContact CB-CZ2 3.72Å; N93-W95 HydrophobicContact CB-CZ3 4.45Å; N93-W95 WeakPolarHBondContact ND2-CZ2 3.39Å; N93-W95 PolarHBondContact O-N 3.47Å; W95-G97 PolarHBondContact O-N 2.78Å; W95-E98 WeakPolarHBondContact O-CB 3.44Å; W95-E98 PolarHBondContact O-N 3.05Å; W95-E98 VanDerWaalsContact O-N 3.08Å |
| 96 | F | 92 | Very high | 92.3 | Very high | 96 Ų | 96 | 78.6 Ų | 78.6 | 42% | 0.421 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 124.6 | 179.3 | -179.2 | -96.6 | 0 | 0 | 0 | 110.7 | K91 N93 P94 E98 | K91-F96 HydrophobicContact CB-CE2 4.48Å; K91-F96 HydrophobicContact CD-CZ 4.42Å; K91-F96 HydrophobicContact CG-CD1 4.48Å; K91-F96 HydrophobicContact CG-CD2 4.24Å; K91-F96 HydrophobicContact CG-CE1 4.01Å; K91-F96 HydrophobicContact CG-CE2 3.75Å; K91-F96 HydrophobicContact CG-CZ 3.64Å; N93-F96 VanDerWaalsContact O-CB 3.31Å; N93-F96 WeakPolarHBondContact O-CB 3.09Å; N93-F96 PolarHBondContact O-N 2.79Å; N93-F96 VanDerWaalsContact O-N 3.11Å; P94-F96 VanDerWaalsContact C-N 3.34Å; F96-E98 VanDerWaalsContact C-N 3.29Å |
| 97 | G | 91.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 80.2 Ų | 80.2 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -1.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | W95 | W95-G97 PolarHBondContact O-N 2.78Š|
| 98 | E | 93 | Very high | 92.1 | Very high | 48 Ų | 48 | 82.1 Ų | 82.1 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 143.7 | 170.8 | -64.3 | -169.1 | -165.8 | 0 | 0 | 110.5 | P26 N27 E86 V87 W95 F96 | P26-E98 WeakPolarHBondContact CA-OE2 3.49Å; P26-E98 HydrophobicContact CB-CB 4.28Å; P26-E98 VanDerWaalsContact CB-OE2 3.26Å; P26-E98 WeakPolarHBondContact CB-OE2 3.41Å; N27-E98 WeakPolarHBondContact CB-OE1 3.31Å; N27-E98 PolarHBondContact N-OE2 2.85Å; N27-E98 PolarHBondContact ND2-OE1 3.11Å; E86-E98 WeakPolarHBondContact CA-O 3.3Å; V87-E98 WeakPolarHBondContact CG2-O 3.14Å; V87-E98 PolarHBondContact N-O 2.85Å; W95-E98 WeakPolarHBondContact O-CB 3.44Å; W95-E98 PolarHBondContact O-N 3.05Å; W95-E98 VanDerWaalsContact O-N 3.08Å; F96-E98 VanDerWaalsContact C-N 3.29Å |
| 99 | L | 94.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 77.5 Ų | 77.5 | 53% | 0.534 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -96.9 | 141.7 | 179.5 | -61.5 | 175.9 | 0 | 0 | 0 | 110.9 | T85 E86 N101 | T85-L99 WeakPolarHBondContact O-CA 3.45Å; E86-L99 HydrophobicContact CB-CD2 4.4Å; E86-L99 HydrophobicContact CG-CD2 3.63Å; L99-N101 PolarHBondContact O-N 2.77Å |
| 100 | W | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 77.1 Ų | 77.1 | 2% | 0.023 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -67 | 122.8 | 169 | -78.8 | 119.6 | 0 | 0 | 0 | 111.1 | P26 M29 I34 I37 M38 L82 C84 T85 V87 I102 | P26-W100 HydrophobicContact CG-CE3 4.27Å; P26-W100 HydrophobicContact CG-CH2 4.43Å; P26-W100 HydrophobicContact CG-CZ3 4.07Å; M29-W100 HydrophobicContact CE-CH2 3.68Å; M29-W100 HydrophobicContact CE-CZ2 4.06Å; M29-W100 HydrophobicContact SD-CH2 3.75Å; M29-W100 HydrophobicContact SD-CZ2 4.22Å; M29-W100 HydrophobicContact SD-CZ3 4.44Å; I34-W100 HydrophobicContact CG1-CH2 4.38Å; I37-W100 HydrophobicContact CD1-CZ2 4.24Å; I37-W100 HydrophobicContact CG2-CZ2 4.24Å; M38-W100 HydrophobicContact CE-CH2 4.21Å; M38-W100 HydrophobicContact CE-CZ2 4.47Å; M38-W100 HydrophobicContact CE-CZ3 4.23Å; L82-W100 WeakPolarHBondContact O-CB 3.3Å; C84-W100 PolarHBondContact N-O 3.06Å; T85-W100 PolarHBondContact O-N 2.92Å; V87-W100 HydrophobicContact CB-CZ2 4.5Å; V87-W100 HydrophobicContact CG1-CZ2 3.88Å; V87-W100 HydrophobicContact CG2-CD2 3.89Å; V87-W100 HydrophobicContact CG2-CE3 4.49Å; V87-W100 HydrophobicContact CG2-CG 4.14Å; V87-W100 HydrophobicContact CG2-CZ2 4.06Å; W100-I102 HydrophobicContact CB-CD1 3.8Å; W100-I102 HydrophobicContact CB-CG1 3.9Å; W100-I102 HydrophobicContact CD2-CD1 3.89Å; W100-I102 HydrophobicContact CE3-CD1 3.76Å; W100-I102 HydrophobicContact CE3-CG1 4.23Å; W100-I102 HydrophobicContact CG-CD1 3.95Å |
| 101 | N | 95.2 | Very high | 92.5 | Very high | 72 Ų | 72 | 78.4 Ų | 78.4 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 96.8 | 171.3 | -172.4 | -11.2 | 0 | 0 | 0 | 109.7 | S23 L99 | S23-N101 PolarHBondContact N-O 2.98Å; L99-N101 PolarHBondContact O-N 2.77Å |
| 102 | I | 95.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131.3 | -163 | -56.4 | -167.6 | 0 | 0 | 0 | 110.7 | I20 Y21 L22 M38 A79 L82 N83 W100 | I20-I102 HydrophobicContact CG2-CB 4.46Å; I20-I102 HydrophobicContact CG2-CG2 3.05Å; Y21-I102 CarbonylContact O-C 3.58Å; Y21-I102 WeakPolarHBondContact O-CA 3.43Å; L22-I102 HydrophobicContact CD2-CB 4.28Å; L22-I102 HydrophobicContact CD2-CD1 3.67Å; L22-I102 HydrophobicContact CD2-CG1 3.52Å; L22-I102 HydrophobicContact CD2-CG2 4.09Å; M38-I102 HydrophobicContact CE-CD1 3.71Å; A79-I102 HydrophobicContact CB-CG2 4.19Å; L82-I102 HydrophobicContact CB-CD1 3.86Å; L82-I102 HydrophobicContact CD1-CD1 4.31Å; N83-I102 HydrophobicContact CB-CB 4.41Å; N83-I102 WeakPolarHBondContact CB-O 3.45Å; N83-I102 VanDerWaalsContact CG-O 3.3Å; N83-I102 PolarHBondContact OD1-N 3.29Å; N83-I102 PolarHBondContact OD1-O 3.46Å; N83-I102 VanDerWaalsContact OD1-O 3.11Å; W100-I102 HydrophobicContact CB-CD1 3.8Å; W100-I102 HydrophobicContact CB-CG1 3.9Å; W100-I102 HydrophobicContact CD2-CD1 3.89Å; W100-I102 HydrophobicContact CE3-CD1 3.76Å; W100-I102 HydrophobicContact CE3-CG1 4.23Å; W100-I102 HydrophobicContact CG-CD1 3.95Å |
| 103 | R | 96.5 | Very high | 92.2 | Very high | 145 Ų | 145 | 65.8 Ų | 65.8 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.4 | 178.3 | -172.3 | 173 | 68.7 | 95.9 | -5.1 | 111.6 | Y21 | Y21-R103 PolarHBondContact N-O 3.43Å; Y21-R103 PolarHBondContact O-N 2.64Å |
| 104 | F | 96.7 | Very high | 92 | Very high | 53 Ų | 53 | 65 Ų | 65 | 23% | 0.232 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.5 | 169.1 | 173.9 | -106.1 | 0 | 0 | 0 | 110.5 | I19 A75 K76 A79 K106 | I19-F104 WeakPolarHBondContact O-CD2 3.36Å; A75-F104 HydrophobicContact CB-CD2 3.79Å; A75-F104 HydrophobicContact CB-CE2 3.79Å; K76-F104 HydrophobicContact CB-CD1 4.41Å; K76-F104 HydrophobicContact CB-CD2 4.37Å; K76-F104 HydrophobicContact CB-CG 4.3Å; K76-F104 HydrophobicContact CG-CD1 4.34Å; A79-F104 HydrophobicContact CB-CB 3.75Å; F104-K106 HydrophobicContact CE1-CB 4.33Å |
| 105 | L | 95.6 | Very high | 91.9 | Very high | 15 Ų | 15 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.1 | 174.8 | -57.6 | -174 | 0 | 0 | 0 | 109.6 | I19 T108 L113 | I19-L105 HydrophobicContact CG2-CD1 3.99Å; I19-L105 PolarHBondContact O-N 3.32Å; L105-T108 HydrophobicContact CD1-CG2 4.21Å; L105-L113 HydrophobicContact CD1-CD2 3.97Å |
| 106 | K | 92.6 | Very high | 91.5 | Very high | 161 Ų | 161 | 66.5 Ų | 66.5 | 70% | 0.7 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 142.8 | 173.4 | 62.9 | 173.4 | -176 | 171.2 | 0 | 109.9 | F104 T108 | F104-K106 HydrophobicContact CE1-CB 4.33Å; K106-T108 PolarHBondContact O-N 3.22Å; K106-T108 PolarHBondContact O-OG1 3.37Å |
| 107 | D | 89.6 | Confident | 91.1 | Very high | 156 Ų | 156 | 67 Ų | 67 | 83% | 0.834 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33.6 | 170.4 | -46.3 | -40.9 | 0 | 0 | 0 | 114.6 | ||
| 108 | T | 91.8 | Very high | 90.7 | Very high | 44 Ų | 44 | 71.3 Ų | 71.3 | 27% | 0.27 | 36% | 0.363 | S | S | . | . | trans | -115.8 | 123.6 | -179.7 | -52.1 | 0 | 0 | 0 | 0 | 109.2 | I19 L105 K106 L113 | I19-T108 HydrophobicContact CD1-CG2 4.47Å; L105-T108 HydrophobicContact CD1-CG2 4.21Å; K106-T108 PolarHBondContact O-N 3.22Å; K106-T108 PolarHBondContact O-OG1 3.37Å; T108-L113 HydrophobicContact CG2-CD2 3.56Å; T108-L113 HydrophobicContact CG2-CG 4.06Å | ||
| 109 | S | 90.9 | Very high | 90.5 | Very high | 42 Ų | 42 | 74.5 Ų | 74.5 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -95.3 | 162.6 | 170.6 | 82.6 | 0 | 0 | 0 | 0 | 111.5 | I19 N111 D112 L113 | I19-S109 VanDerWaalsContact CD1-C 3.46Å; S109-N111 PolarHBondContact O-N 3.49Å; S109-N111 PolarHBondContact OG-N 3.28Å; S109-D112 VanDerWaalsContact CB-OD2 3.24Å; S109-D112 WeakPolarHBondContact CB-OD2 3.24Å; S109-D112 PolarHBondContact N-OD2 3.37Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.91Å; S109-D112 PolarHBondContact OG-OD1 3.21Å; S109-D112 PolarHBondContact OG-OD2 3.11Å; S109-L113 PolarHBondContact O-N 2.99Å | ||
| 110 | W | 90.8 | Very high | 90.4 | Very high | 33 Ų | 33 | 74.8 Ų | 74.8 | 13% | 0.125 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -30.5 | 179.3 | -167.8 | -83.4 | 0 | 0 | 0 | 112.3 | I19 R46 W66 E68 D112 L113 F114 | I19-W110 HydrophobicContact CD1-CB 4.28Å; I19-W110 HydrophobicContact CD1-CE3 4.14Å; I19-W110 HydrophobicContact CG1-CE3 4.48Å; R46-W110 HydrophobicContact CB-CD2 3.94Å; R46-W110 HydrophobicContact CB-CE3 3.92Å; R46-W110 HydrophobicContact CB-CH2 3.5Å; R46-W110 HydrophobicContact CB-CZ2 3.53Å; R46-W110 HydrophobicContact CB-CZ3 3.71Å; R46-W110 HydrophobicContact CG-CD2 4.47Å; R46-W110 HydrophobicContact CG-CZ2 4.49Å; W66-W110 HydrophobicContact CB-CH2 4.39Å; W66-W110 HydrophobicContact CB-CZ3 4.17Å; E68-W110 HydrophobicContact CB-CE3 3.71Å; E68-W110 HydrophobicContact CB-CZ3 3.77Å; E68-W110 HydrophobicContact CG-CE3 4.45Å; W110-D112 VanDerWaalsContact C-N 3.32Å; W110-L113 HydrophobicContact CE3-CD1 4.27Å; W110-F114 HydrophobicContact CZ2-CE2 4.22Å; W110-F114 AromaticContact NE1-CE2 3.84Å |
| 111 | N | 89.7 | Confident | 90.3 | Very high | 91 Ų | 91 | 79.4 Ų | 79.4 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.5 | -31.1 | 177.4 | -63.9 | -41.4 | 0 | 0 | 0 | 111.5 | S109 G115 | S109-N111 PolarHBondContact O-N 3.49Å; S109-N111 PolarHBondContact OG-N 3.28Å; N111-G115 WeakPolarHBondContact O-CA 3.45Å; N111-G115 PolarHBondContact O-N 3.42Å; N111-G115 VanDerWaalsContact O-N 3.13Å |
| 112 | D | 89.7 | Confident | 90.2 | Very high | 100 Ų | 100 | 80.7 Ų | 80.7 | 54% | 0.535 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.4 | -34 | -179.4 | -52.9 | -32.1 | 0 | 0 | 0 | 111.7 | S109 W110 F114 G115 | S109-D112 VanDerWaalsContact CB-OD2 3.24Å; S109-D112 WeakPolarHBondContact CB-OD2 3.24Å; S109-D112 PolarHBondContact N-OD2 3.37Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.11Å; S109-D112 PolarHBondContact OG-N 2.91Å; S109-D112 PolarHBondContact OG-OD1 3.21Å; S109-D112 PolarHBondContact OG-OD2 3.11Å; W110-D112 VanDerWaalsContact C-N 3.32Å; D112-F114 PolarHBondContact O-N 3.06Å; D112-G115 PolarHBondContact O-N 2.91Å; D112-G115 VanDerWaalsContact O-N 3.17Å |
| 113 | L | 87.8 | Confident | 90.2 | Very high | 42 Ų | 42 | 85.6 Ų | 85.6 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -55.6 | -38.2 | -179.5 | -71.3 | -178.4 | 0 | 0 | 0 | 113.3 | I19 W66 L105 T108 S109 W110 | I19-L113 HydrophobicContact CD1-CD1 3.87Å; I19-L113 HydrophobicContact CD1-CG 4.21Å; I19-L113 HydrophobicContact CG2-CD1 4.14Å; W66-L113 HydrophobicContact CB-CD1 3.85Å; W66-L113 HydrophobicContact CD2-CD1 4.2Å; W66-L113 HydrophobicContact CG-CD1 3.59Å; W66-L113 HydrophobicContact CG-CD2 4.44Å; L105-L113 HydrophobicContact CD1-CD2 3.97Å; T108-L113 HydrophobicContact CG2-CD2 3.56Å; T108-L113 HydrophobicContact CG2-CG 4.06Å; S109-L113 PolarHBondContact O-N 2.99Å; W110-L113 HydrophobicContact CE3-CD1 4.27Å |
| 114 | F | 85.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 84.8 Ų | 84.8 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 14.4 | -178.1 | -50.9 | -73.4 | 0 | 0 | 0 | 111.7 | Y48 W66 W110 D112 A116 E117 R118 | Y48-F114 AromaticContact CD1-CE1 3.74Å; Y48-F114 HydrophobicContact CD1-CE1 3.74Å; Y48-F114 AromaticContact CD1-CZ 3.38Å; Y48-F114 HydrophobicContact CD1-CZ 3.38Å; Y48-F114 AromaticContact CE1-CE1 3.58Å; Y48-F114 HydrophobicContact CE1-CE1 3.58Å; Y48-F114 AromaticContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CE1-CZ 3.75Å; Y48-F114 HydrophobicContact CG-CZ 4.03Å; W66-F114 HydrophobicContact CE3-CZ 4.21Å; W66-F114 HydrophobicContact CZ3-CE1 4.28Å; W66-F114 HydrophobicContact CZ3-CZ 4.32Å; W110-F114 HydrophobicContact CZ2-CE2 4.22Å; W110-F114 AromaticContact NE1-CE2 3.84Å; D112-F114 PolarHBondContact O-N 3.06Å; F114-A116 PolarHBondContact O-N 3.26Å; F114-E117 PolarHBondContact O-N 3.46Å; F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.48Å; F114-R118 PolarHBondContact O-N 2.89Å |
| 115 | G | 86 | Confident | 90.1 | Very high | 29 Ų | 29 | 89.8 Ų | 89.8 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | N111 D112 R118 E119 | N111-G115 WeakPolarHBondContact O-CA 3.45Å; N111-G115 PolarHBondContact O-N 3.42Å; N111-G115 VanDerWaalsContact O-N 3.13Å; D112-G115 PolarHBondContact O-N 2.91Å; D112-G115 VanDerWaalsContact O-N 3.17Å; G115-R118 PolarHBondContact O-N 2.93Å; G115-E119 WeakPolarHBondContact O-CB 3.41Å; G115-E119 PolarHBondContact O-N 3.13Å |
| 116 | A | 82.7 | Confident | 90.1 | Very high | 80 Ų | 80 | 91.9 Ų | 91.9 | 66% | 0.661 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64.1 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F114 E119 E120 | F114-A116 PolarHBondContact O-N 3.26Å; A116-E119 PolarHBondContact O-N 3.17Å; A116-E120 WeakPolarHBondContact O-CB 3.39Å; A116-E120 PolarHBondContact O-N 3Å |
| 117 | E | 82.8 | Confident | 90.3 | Very high | 106 Ų | 106 | 86.3 Ų | 86.3 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 179.1 | -172.6 | 166.8 | -144.3 | 0 | 0 | 111.4 | F114 E120 E121 | F114-E117 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 2.85Å; E117-E121 WeakPolarHBondContact O-CB 3.28Å; E117-E121 WeakPolarHBondContact O-CG 3.42Å; E117-E121 PolarHBondContact O-N 3.44Å |
| 118 | R | 84.7 | Confident | 90.7 | Very high | 131 Ų | 131 | 84.2 Ų | 84.2 | 49% | 0.494 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.1 | -176.4 | -176.1 | -65.2 | -173 | 2.1 | 111.7 | F114 G115 E120 E121 E122 | F114-R118 VanDerWaalsContact O-CB 3.31Å; F114-R118 WeakPolarHBondContact O-CB 3.48Å; F114-R118 PolarHBondContact O-N 2.89Å; G115-R118 PolarHBondContact O-N 2.93Å; R118-E120 VanDerWaalsContact C-N 3.31Å; R118-E120 PolarHBondContact O-N 3.41Å; R118-E121 PolarHBondContact O-N 3.39Å; R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.43Å; R118-E122 WeakPolarHBondContact O-CB 3.33Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.47Å |
| 119 | E | 88.7 | Confident | 90.9 | Very high | 114 Ų | 114 | 85.3 Ų | 85.3 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 177.9 | -172.5 | -179.3 | 175.7 | 0 | 0 | 110.6 | G115 A116 E121 E122 Q123 | G115-E119 WeakPolarHBondContact O-CB 3.41Å; G115-E119 PolarHBondContact O-N 3.13Å; A116-E119 PolarHBondContact O-N 3.17Å; E119-E121 PolarHBondContact O-N 2.79Å; E119-E122 PolarHBondContact O-N 3.45Å; E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 VanDerWaalsContact O-CG 3.25Å; E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.86Å; E119-Q123 PolarHBondContact OE1-NE2 3.37Å |
| 120 | E | 91.3 | Very high | 91.2 | Very high | 109 Ų | 109 | 91.4 Ų | 91.4 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.9 | -161.9 | -163.5 | 151 | 0 | 0 | 112 | A116 E117 R118 Q123 R124 | A116-E120 WeakPolarHBondContact O-CB 3.39Å; A116-E120 PolarHBondContact O-N 3Å; E117-E120 PolarHBondContact O-N 2.85Å; R118-E120 VanDerWaalsContact C-N 3.31Å; R118-E120 PolarHBondContact O-N 3.41Å; E120-Q123 PolarHBondContact O-N 3.48Å; E120-R124 VanDerWaalsContact O-CB 3.3Å; E120-R124 WeakPolarHBondContact O-CB 3.32Å; E120-R124 PolarHBondContact O-N 2.84Å; E120-R124 IonicContact OE1-CZ 3.95Å; E120-R124 IonicContact OE1-NH2 2.79Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-NH2 3.89Å |
| 121 | E | 92 | Very high | 91.5 | Very high | 102 Ų | 102 | 95 Ų | 95 | 48% | 0.477 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.3 | -79.9 | 179.3 | -170 | 0 | 0 | 112.9 | E117 R118 E119 R124 R125 | E117-E121 WeakPolarHBondContact O-CB 3.28Å; E117-E121 WeakPolarHBondContact O-CG 3.42Å; E117-E121 PolarHBondContact O-N 3.44Å; R118-E121 PolarHBondContact O-N 3.39Å; E119-E121 PolarHBondContact O-N 2.79Å; E121-R124 VanDerWaalsContact CG-NH1 3.33Å; E121-R124 PolarHBondContact O-N 3.49Å; E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.43Å |
| 122 | E | 93 | Very high | 91.9 | Very high | 100 Ų | 100 | 93.6 Ų | 93.6 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176.7 | -75 | 176.9 | -170.8 | 0 | 0 | 111.4 | R118 E119 R125 T126 | R118-E122 HydrophobicContact CG-CG 4.36Å; R118-E122 WeakPolarHBondContact CG-OE1 3.43Å; R118-E122 WeakPolarHBondContact O-CB 3.33Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.47Å; E119-E122 PolarHBondContact O-N 3.45Å; E122-R125 PolarHBondContact O-N 2.87Å; E122-T126 WeakPolarHBondContact O-CB 3.3Å; E122-T126 VanDerWaalsContact O-CG2 3.26Å; E122-T126 WeakPolarHBondContact O-CG2 3.45Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 2.86Å |
| 123 | Q | 95.1 | Very high | 92.2 | Very high | 107 Ų | 107 | 93.5 Ų | 93.5 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 173.1 | -71.8 | 176.7 | 15.9 | 0 | 0 | 111.3 | E119 E120 R125 T126 A127 | E119-Q123 WeakPolarHBondContact O-CB 3.44Å; E119-Q123 VanDerWaalsContact O-CG 3.25Å; E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.86Å; E119-Q123 PolarHBondContact OE1-NE2 3.37Å; E120-Q123 PolarHBondContact O-N 3.48Å; Q123-R125 PolarHBondContact O-N 2.91Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.42Å; Q123-T126 PolarHBondContact O-N 2.88Å; Q123-T126 PolarHBondContact O-OG1 3.46Å; Q123-A127 WeakPolarHBondContact O-CB 3.25Å; Q123-A127 PolarHBondContact O-N 3.39Å |
| 124 | R | 95.6 | Very high | 92.6 | Very high | 128 Ų | 128 | 95.1 Ų | 95.1 | 48% | 0.483 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 176.9 | -166.3 | -176.4 | -52 | 113 | 2.3 | 111.9 | E120 E121 H128 | E120-R124 VanDerWaalsContact O-CB 3.3Å; E120-R124 WeakPolarHBondContact O-CB 3.32Å; E120-R124 PolarHBondContact O-N 2.84Å; E120-R124 IonicContact OE1-CZ 3.95Å; E120-R124 IonicContact OE1-NH2 2.79Å; E120-R124 PolarHBondContact OE1-NH2 2.88Å; E120-R124 IonicContact OE2-NH2 3.89Å; E121-R124 VanDerWaalsContact CG-NH1 3.33Å; E121-R124 PolarHBondContact O-N 3.49Å; R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 3.36Å |
| 125 | R | 96.2 | Very high | 93.2 | Very high | 159 Ų | 159 | 95.9 Ų | 95.9 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -46.3 | 177.8 | -174.2 | -176.3 | 126.6 | -136.1 | -1.3 | 111.4 | E121 E122 Q123 A127 H128 D129 | E121-R125 WeakPolarHBondContact O-CB 3.26Å; E121-R125 PolarHBondContact O-N 3.43Å; E122-R125 PolarHBondContact O-N 2.87Å; Q123-R125 PolarHBondContact O-N 2.91Å; R125-A127 VanDerWaalsContact C-N 3.35Å; R125-A127 PolarHBondContact O-N 3.28Å; R125-H128 PolarHBondContact O-N 3.42Å; R125-D129 IonicContact NE-OD2 3.86Å; R125-D129 WeakPolarHBondContact O-CB 3.34Å; R125-D129 PolarHBondContact O-N 3.47Å |
| 126 | T | 96.5 | Very high | 93.7 | Very high | 59 Ų | 59 | 100.7 Ų | 100.7 | 36% | 0.362 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | E122 Q123 R130 | E122-T126 WeakPolarHBondContact O-CB 3.3Å; E122-T126 VanDerWaalsContact O-CG2 3.26Å; E122-T126 WeakPolarHBondContact O-CG2 3.45Å; E122-T126 PolarHBondContact O-N 2.98Å; E122-T126 PolarHBondContact O-OG1 2.86Å; Q123-T126 WeakPolarHBondContact CA-OG1 3.42Å; Q123-T126 PolarHBondContact O-N 2.88Å; Q123-T126 PolarHBondContact O-OG1 3.46Å; T126-R130 VanDerWaalsContact O-CG 3.24Å; T126-R130 WeakPolarHBondContact O-CG 3.45Å; T126-R130 PolarHBondContact O-N 3.26Å |
| 127 | A | 96.8 | Very high | 94.3 | Very high | 44 Ų | 44 | 101.9 Ų | 101.9 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q123 R125 D129 R130 D131 | Q123-A127 WeakPolarHBondContact O-CB 3.25Å; Q123-A127 PolarHBondContact O-N 3.39Å; R125-A127 VanDerWaalsContact C-N 3.35Å; R125-A127 PolarHBondContact O-N 3.28Å; A127-D129 PolarHBondContact O-N 3.37Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 3.49Å; A127-D131 PolarHBondContact O-N 3.26Å |
| 128 | H | 96.6 | Very high | 94.9 | Very high | 111 Ų | 111 | 102.3 Ų | 102.3 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 177.4 | 178.4 | -96.1 | 0 | 0 | 0 | 112.9 | R124 R125 R130 D131 I132 | R124-H128 WeakPolarHBondContact O-CB 3.44Å; R124-H128 PolarHBondContact O-N 3.36Å; R125-H128 PolarHBondContact O-N 3.42Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 3Å; H128-D131 PolarHBondContact O-N 3.44Å; H128-I132 WeakPolarHBondContact CE1-CD1 3.41Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 2.99Å |
| 129 | D | 97.2 | Very high | 95.4 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.4 | -72.9 | -19.8 | 0 | 0 | 0 | 111.6 | R125 A127 I132 V133 | R125-D129 IonicContact NE-OD2 3.86Å; R125-D129 WeakPolarHBondContact O-CB 3.34Å; R125-D129 PolarHBondContact O-N 3.47Å; A127-D129 PolarHBondContact O-N 3.37Å; D129-I132 PolarHBondContact O-N 3.2Å; D129-V133 WeakPolarHBondContact O-CG2 3.34Å; D129-V133 PolarHBondContact O-N 2.93Å |
| 130 | R | 96.6 | Very high | 95.7 | Very high | 169 Ų | 169 | 103.3 Ų | 103.3 | 64% | 0.638 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 172.8 | -73.2 | 168.7 | -175.7 | 167.6 | 2.7 | 111.2 | T126 A127 H128 I132 V133 V134 | T126-R130 VanDerWaalsContact O-CG 3.24Å; T126-R130 WeakPolarHBondContact O-CG 3.45Å; T126-R130 PolarHBondContact O-N 3.26Å; A127-R130 WeakPolarHBondContact O-CB 3.36Å; A127-R130 PolarHBondContact O-N 3.49Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 PolarHBondContact O-N 3Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.02Å; R130-V133 PolarHBondContact O-N 2.91Å; R130-V133 VanDerWaalsContact O-N 3.16Å; R130-V134 WeakPolarHBondContact O-CG2 3.35Å; R130-V134 PolarHBondContact O-N 3.24Å |
| 131 | D | 97.2 | Very high | 95.9 | Very high | 110 Ų | 110 | 103.4 Ų | 103.4 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 178 | -69.8 | -17.1 | 0 | 0 | 0 | 111.7 | A127 H128 V133 V134 A135 | A127-D131 PolarHBondContact O-N 3.26Å; H128-D131 PolarHBondContact O-N 3.44Å; D131-V133 VanDerWaalsContact C-N 3.34Å; D131-V133 PolarHBondContact O-N 3.02Å; D131-V134 PolarHBondContact O-N 3.16Å; D131-A135 WeakPolarHBondContact O-CB 3.34Å; D131-A135 PolarHBondContact O-N 3.21Å |
| 132 | I | 97 | Very high | 96.1 | Very high | 61 Ų | 61 | 105 Ų | 105 | 31% | 0.313 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 174.5 | -71.3 | 169 | 0 | 0 | 0 | 111.2 | H128 D129 R130 A135 K136 | H128-I132 WeakPolarHBondContact CE1-CD1 3.41Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 2.99Å; D129-I132 PolarHBondContact O-N 3.2Å; R130-I132 VanDerWaalsContact C-N 3.34Å; R130-I132 PolarHBondContact O-N 3.02Å; I132-A135 PolarHBondContact O-N 3.42Å; I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.34Å; I132-K136 WeakPolarHBondContact O-CG 3.45Å; I132-K136 PolarHBondContact O-N 3.47Å |
| 133 | V | 96.5 | Very high | 96.2 | Very high | 97 Ų | 97 | 103.1 Ų | 103.1 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 179.7 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | D129 R130 D131 K136 H137 | D129-V133 WeakPolarHBondContact O-CG2 3.34Å; D129-V133 PolarHBondContact O-N 2.93Å; R130-V133 PolarHBondContact O-N 2.91Å; R130-V133 VanDerWaalsContact O-N 3.16Å; D131-V133 VanDerWaalsContact C-N 3.34Å; D131-V133 PolarHBondContact O-N 3.02Å; V133-K136 PolarHBondContact O-N 3.46Å; V133-H137 WeakPolarHBondContact O-CB 3.39Å; V133-H137 PolarHBondContact O-N 2.93Å |
| 134 | V | 96.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 100.9 Ų | 100.9 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | R130 D131 K136 H137 Q138 | R130-V134 WeakPolarHBondContact O-CG2 3.35Å; R130-V134 PolarHBondContact O-N 3.24Å; D131-V134 PolarHBondContact O-N 3.16Å; V134-K136 PolarHBondContact O-N 2.95Å; V134-H137 WeakPolarHBondContact O-CB 3.39Å; V134-H137 PolarHBondContact O-N 2.96Å; V134-Q138 HydrophobicContact CG1-CG 4.45Å; V134-Q138 WeakPolarHBondContact O-CG 3.3Å; V134-Q138 PolarHBondContact O-N 3.39Å |
| 135 | A | 97.1 | Very high | 96 | Very high | 53 Ų | 53 | 97.7 Ų | 97.7 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D131 I132 H137 Q138 S139 | D131-A135 WeakPolarHBondContact O-CB 3.34Å; D131-A135 PolarHBondContact O-N 3.21Å; I132-A135 PolarHBondContact O-N 3.42Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.4Å; A135-Q138 PolarHBondContact O-N 3.33Å; A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.39Å; A135-S139 PolarHBondContact O-N 2.99Å |
| 136 | K | 97.2 | Very high | 95.9 | Very high | 131 Ų | 131 | 93.5 Ų | 93.5 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 174 | -79.2 | 176 | 177.2 | 172.2 | 0 | 111.7 | I132 V133 V134 S139 R140 | I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.34Å; I132-K136 WeakPolarHBondContact O-CG 3.45Å; I132-K136 PolarHBondContact O-N 3.47Å; V133-K136 PolarHBondContact O-N 3.46Å; V134-K136 PolarHBondContact O-N 2.95Å; K136-S139 PolarHBondContact O-N 3.44Å; K136-R140 VanDerWaalsContact O-CG 3.32Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 3.43Å |
| 137 | H | 95.5 | Very high | 95.8 | Very high | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 176.8 | -177.4 | 74 | 0 | 0 | 0 | 111.1 | V133 V134 A135 S139 R140 Q141 | V133-H137 WeakPolarHBondContact O-CB 3.39Å; V133-H137 PolarHBondContact O-N 2.93Å; V134-H137 WeakPolarHBondContact O-CB 3.39Å; V134-H137 PolarHBondContact O-N 2.96Å; A135-H137 VanDerWaalsContact C-N 3.35Å; A135-H137 PolarHBondContact O-N 3.4Å; H137-S139 PolarHBondContact O-N 3.48Å; H137-R140 PolarHBondContact O-N 2.91Å; H137-Q141 VanDerWaalsContact NE2-CD 3.33Å; H137-Q141 PolarHBondContact NE2-NE2 2.88Å; H137-Q141 WeakPolarHBondContact O-CG 3.32Å; H137-Q141 PolarHBondContact O-N 3.5Å |
| 138 | Q | 95.3 | Very high | 95.5 | Very high | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 176.9 | -70.2 | 175.3 | -4.1 | 0 | 0 | 112 | V134 A135 Q141 F142 | V134-Q138 HydrophobicContact CG1-CG 4.45Å; V134-Q138 WeakPolarHBondContact O-CG 3.3Å; V134-Q138 PolarHBondContact O-N 3.39Å; A135-Q138 PolarHBondContact O-N 3.33Å; Q138-Q141 PolarHBondContact O-N 3.27Å; Q138-F142 WeakPolarHBondContact O-CB 3.38Å; Q138-F142 PolarHBondContact O-N 3.2Å |
| 139 | S | 95.2 | Very high | 95.3 | Very high | 78 Ų | 78 | 96.6 Ų | 96.6 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | A135 K136 H137 F142 S143 | A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.39Å; A135-S139 PolarHBondContact O-N 2.99Å; K136-S139 PolarHBondContact O-N 3.44Å; H137-S139 PolarHBondContact O-N 3.48Å; S139-F142 PolarHBondContact O-N 2.87Å; S139-S143 PolarHBondContact O-N 3.36Å |
| 140 | R | 95.9 | Very high | 95.1 | Very high | 188 Ų | 188 | 99.3 Ų | 99.3 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -44.9 | 175.3 | -73.7 | 175.3 | -175.6 | -106.6 | 3 | 111.9 | K136 H137 F142 S143 A144 | K136-R140 VanDerWaalsContact O-CG 3.32Å; K136-R140 WeakPolarHBondContact O-CG 3.41Å; K136-R140 PolarHBondContact O-N 3.43Å; H137-R140 PolarHBondContact O-N 2.91Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.45Å; R140-S143 PolarHBondContact O-N 2.93Å; R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å |
| 141 | Q | 95 | Very high | 94.8 | Very high | 111 Ų | 111 | 95.8 Ų | 95.8 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 176.1 | -75.3 | -175.7 | -28 | 0 | 0 | 111.4 | H137 Q138 A144 A145 | H137-Q141 VanDerWaalsContact NE2-CD 3.33Å; H137-Q141 PolarHBondContact NE2-NE2 2.88Å; H137-Q141 WeakPolarHBondContact O-CG 3.32Å; H137-Q141 PolarHBondContact O-N 3.5Å; Q138-Q141 PolarHBondContact O-N 3.27Å; Q141-A144 PolarHBondContact O-N 2.9Å; Q141-A145 WeakPolarHBondContact O-CB 3.41Å; Q141-A145 PolarHBondContact O-N 3.31Å |
| 142 | F | 95.2 | Very high | 94.5 | Very high | 137 Ų | 137 | 93.7 Ų | 93.7 | 60% | 0.601 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 177.6 | -177.9 | -102.6 | 0 | 0 | 0 | 112.1 | Q138 S139 R140 A144 A145 L146 | Q138-F142 WeakPolarHBondContact O-CB 3.38Å; Q138-F142 PolarHBondContact O-N 3.2Å; S139-F142 PolarHBondContact O-N 2.87Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 3.45Å; F142-A144 PolarHBondContact O-N 3.34Å; F142-A145 PolarHBondContact O-N 2.94Å; F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.34Å; F142-L146 HydrophobicContact CE1-CD1 3.36Å; F142-L146 HydrophobicContact CE1-CG 3.98Å; F142-L146 HydrophobicContact CE2-CG 4.49Å; F142-L146 HydrophobicContact CZ-CD1 3.79Å; F142-L146 HydrophobicContact CZ-CD2 4.19Å; F142-L146 HydrophobicContact CZ-CG 4.06Å; F142-L146 WeakPolarHBondContact O-CG 3.34Å; F142-L146 PolarHBondContact O-N 2.92Å |
| 143 | S | 95 | Very high | 94.2 | Very high | 59 Ų | 59 | 97.7 Ų | 97.7 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 176.1 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | S139 R140 A145 L146 D147 | S139-S143 PolarHBondContact O-N 3.36Å; R140-S143 PolarHBondContact O-N 2.93Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.9Å; S143-L146 PolarHBondContact O-N 2.94Å; S143-D147 PolarHBondContact O-N 3.1Å |
| 144 | A | 94.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 101.4 Ų | 101.4 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R140 Q141 F142 D147 A148 | R140-A144 WeakPolarHBondContact O-CB 3.39Å; R140-A144 PolarHBondContact O-N 3.4Å; Q141-A144 PolarHBondContact O-N 2.9Å; F142-A144 PolarHBondContact O-N 3.34Å; A144-D147 PolarHBondContact O-N 3.3Å; A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.46Å; A144-A148 PolarHBondContact O-N 3Å |
| 145 | A | 92.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q141 F142 S143 K149 | Q141-A145 WeakPolarHBondContact O-CB 3.41Å; Q141-A145 PolarHBondContact O-N 3.31Å; F142-A145 PolarHBondContact O-N 2.94Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CB 3.44Å; A145-K149 PolarHBondContact O-N 3.47Å |
| 146 | L | 94.7 | Very high | 93.2 | Very high | 71 Ų | 71 | 104 Ų | 104 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.6 | -73.4 | -176.2 | 0 | 0 | 0 | 112 | F142 S143 K149 K150 | F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.34Å; F142-L146 HydrophobicContact CE1-CD1 3.36Å; F142-L146 HydrophobicContact CE1-CG 3.98Å; F142-L146 HydrophobicContact CE2-CG 4.49Å; F142-L146 HydrophobicContact CZ-CD1 3.79Å; F142-L146 HydrophobicContact CZ-CD2 4.19Å; F142-L146 HydrophobicContact CZ-CG 4.06Å; F142-L146 WeakPolarHBondContact O-CG 3.34Å; F142-L146 PolarHBondContact O-N 2.92Å; S143-L146 PolarHBondContact O-N 2.94Å; L146-K149 PolarHBondContact O-N 3.45Å; L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.25Å |
| 147 | D | 94.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 104.7 Ų | 104.7 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 179.1 | -68.7 | -27.2 | 0 | 0 | 0 | 111.6 | S143 A144 K149 K150 L151 | S143-D147 PolarHBondContact O-N 3.1Å; A144-D147 PolarHBondContact O-N 3.3Å; D147-K149 PolarHBondContact O-N 2.94Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.79Å; D147-L151 WeakPolarHBondContact O-CB 3.31Å; D147-L151 PolarHBondContact O-N 3.34Å |
| 148 | A | 90.9 | Very high | 92.7 | Very high | 43 Ų | 43 | 105.5 Ų | 105.5 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A144 L151 E152 | A144-A148 VanDerWaalsContact O-CB 3.31Å; A144-A148 WeakPolarHBondContact O-CB 3.46Å; A144-A148 PolarHBondContact O-N 3Å; A148-L151 PolarHBondContact O-N 2.9Å; A148-E152 WeakPolarHBondContact O-CB 3.45Å; A148-E152 PolarHBondContact O-N 3.18Å |
| 149 | K | 90.9 | Very high | 92.3 | Very high | 151 Ų | 151 | 105.7 Ų | 105.7 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 176.8 | -173.3 | 179.1 | -177.9 | 177.6 | 0 | 112.4 | A145 L146 D147 E152 K153 | A145-K149 WeakPolarHBondContact O-CB 3.44Å; A145-K149 PolarHBondContact O-N 3.47Å; L146-K149 PolarHBondContact O-N 3.45Å; D147-K149 PolarHBondContact O-N 2.94Å; K149-E152 PolarHBondContact O-N 3.02Å; K149-K153 PolarHBondContact O-N 3.17Å |
| 150 | K | 93.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.7 | -72.7 | 172.6 | -173.9 | 167.7 | 0 | 111.2 | L146 D147 K153 R154 | L146-K150 WeakPolarHBondContact O-CG 3.38Å; L146-K150 PolarHBondContact O-N 3.25Å; D147-K150 PolarHBondContact O-N 2.93Å; D147-K150 IonicContact OD1-NZ 3.79Å; K150-K153 PolarHBondContact O-N 3.47Å; K150-R154 PolarHBondContact O-N 2.88Å; K150-R154 VanDerWaalsContact O-N 3.1Å |
| 151 | L | 91 | Very high | 91.1 | Very high | 94 Ų | 94 | 105.7 Ų | 105.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.7 | -178.9 | 63.2 | 0 | 0 | 0 | 111.5 | D147 A148 K153 R154 M155 | D147-L151 WeakPolarHBondContact O-CB 3.31Å; D147-L151 PolarHBondContact O-N 3.34Å; A148-L151 PolarHBondContact O-N 2.9Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.44Å; L151-R154 PolarHBondContact O-N 3.44Å; L151-M155 HydrophobicContact CD1-CE 4.11Å; L151-M155 HydrophobicContact CD1-CG 4.34Å; L151-M155 HydrophobicContact CG-CG 4.42Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 WeakPolarHBondContact O-CG 3.44Å; L151-M155 PolarHBondContact O-N 3.45Å |
| 152 | E | 89.2 | Confident | 90.5 | Very high | 66 Ų | 66 | 111.2 Ų | 111.2 | 31% | 0.308 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.5 | -159 | 179.5 | -171.6 | 0 | 0 | 111.4 | A148 K149 R154 M155 K156 F163 | A148-E152 WeakPolarHBondContact O-CB 3.45Å; A148-E152 PolarHBondContact O-N 3.18Å; K149-E152 PolarHBondContact O-N 3.02Å; E152-R154 PolarHBondContact O-N 3.21Å; E152-M155 PolarHBondContact O-N 3.06Å; E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.37Å; E152-F163 HydrophobicContact CG-CE1 3.96Å; E152-F163 HydrophobicContact CG-CZ 3.48Å; E152-F163 VanDerWaalsContact CG-CZ 3.48Å |
| 153 | K | 90.7 | Very high | 90 | Very high | 146 Ų | 146 | 106.6 Ų | 106.6 | 64% | 0.635 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.4 | -44.1 | 175.3 | -172 | 179.2 | 179.6 | -178.8 | 0 | 112.1 | K149 K150 L151 K156 Q157 | K149-K153 PolarHBondContact O-N 3.17Å; K150-K153 PolarHBondContact O-N 3.47Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.44Å; K153-K156 PolarHBondContact O-N 3.28Å; K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.86Å |
| 154 | R | 91.8 | Very high | 89.4 | Confident | 174 Ų | 174 | 109.6 Ų | 109.6 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 176.1 | -72.1 | -179.2 | 179.3 | 175.4 | -0.2 | 111.8 | K150 L151 E152 K156 Q157 V158 | K150-R154 PolarHBondContact O-N 2.88Å; K150-R154 VanDerWaalsContact O-N 3.1Å; L151-R154 PolarHBondContact O-N 3.44Å; E152-R154 PolarHBondContact O-N 3.21Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 3.48Å; R154-Q157 WeakPolarHBondContact O-CB 3.49Å; R154-Q157 PolarHBondContact O-N 3.21Å; R154-Q157 VanDerWaalsContact O-N 3.17Å; R154-V158 WeakPolarHBondContact O-CG2 3.32Å; R154-V158 PolarHBondContact O-N 2.87Å |
| 155 | M | 89.5 | Confident | 88.7 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 38% | 0.379 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 179 | -74.3 | -71.4 | 177.1 | 0 | 0 | 112.4 | L151 E152 Q157 V158 K159 F163 | L151-M155 HydrophobicContact CD1-CE 4.11Å; L151-M155 HydrophobicContact CD1-CG 4.34Å; L151-M155 HydrophobicContact CG-CG 4.42Å; L151-M155 WeakPolarHBondContact O-CB 3.43Å; L151-M155 WeakPolarHBondContact O-CG 3.44Å; L151-M155 PolarHBondContact O-N 3.45Å; E152-M155 PolarHBondContact O-N 3.06Å; M155-Q157 VanDerWaalsContact C-N 3.31Å; M155-Q157 PolarHBondContact O-N 3.43Å; M155-V158 PolarHBondContact O-N 2.94Å; M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 PolarHBondContact O-N 2.83Å; M155-F163 HydrophobicContact CB-CD2 3.87Å; M155-F163 HydrophobicContact CB-CE2 3.51Å; M155-F163 HydrophobicContact CB-CZ 4.43Å |
| 156 | K | 89.7 | Confident | 88 | Confident | 108 Ų | 108 | 119.2 Ų | 119.2 | 47% | 0.47 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.1 | -38.2 | 173.5 | -171.5 | 169.6 | -179.5 | 167.2 | 0 | 112 | E152 K153 R154 G160 F163 E165 | E152-K156 WeakPolarHBondContact O-CB 3.43Å; E152-K156 PolarHBondContact O-N 3.37Å; K153-K156 PolarHBondContact O-N 3.28Å; R154-K156 VanDerWaalsContact C-N 3.33Å; R154-K156 PolarHBondContact O-N 3.48Å; K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.14Å; K156-G160 VanDerWaalsContact O-N 3.1Å; K156-F163 HydrophobicContact CB-CD1 3.75Å; K156-F163 HydrophobicContact CB-CE1 4.06Å; K156-F163 HydrophobicContact CB-CG 4.04Å; K156-F163 HydrophobicContact CD-CD1 4.26Å; K156-F163 HydrophobicContact CG-CD1 3.86Å; K156-F163 HydrophobicContact CG-CE1 4.47Å; K156-F163 HydrophobicContact CG-CG 4.35Å; K156-E165 IonicContact NZ-OE1 2.68Å; K156-E165 PolarHBondContact NZ-OE1 2.91Å |
| 157 | Q | 90.3 | Very high | 87.3 | Confident | 144 Ų | 144 | 124.9 Ų | 124.9 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.9 | -44.4 | 174.8 | -70.1 | 174.3 | -20.3 | 0 | 0 | 112.4 | K153 R154 M155 | K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.86Å; R154-Q157 WeakPolarHBondContact O-CB 3.49Å; R154-Q157 PolarHBondContact O-N 3.21Å; R154-Q157 VanDerWaalsContact O-N 3.17Å; M155-Q157 VanDerWaalsContact C-N 3.31Å; M155-Q157 PolarHBondContact O-N 3.43Å |
| 158 | V | 90.4 | Very high | 86.3 | Confident | 123 Ų | 123 | 126.3 Ų | 126.3 | 75% | 0.745 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.8 | -43.5 | -177.7 | 175.2 | 0 | 0 | 0 | 0 | 112.5 | R154 M155 | R154-V158 WeakPolarHBondContact O-CG2 3.32Å; R154-V158 PolarHBondContact O-N 2.87Å; M155-V158 PolarHBondContact O-N 2.94Å |
| 159 | K | 87.7 | Confident | 85.4 | Confident | 117 Ų | 117 | 130.1 Ų | 130.1 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -88.1 | -16.1 | -175.2 | -67.2 | -173.5 | 178 | -175.4 | 0 | 113.8 | M155 K161 R162 F163 | M155-K159 WeakPolarHBondContact O-CB 3.37Å; M155-K159 PolarHBondContact O-N 2.83Å; K159-K161 PolarHBondContact O-N 3.43Å; K159-R162 HydrophobicContact CB-CB 4.45Å; K159-R162 PolarHBondContact O-N 2.92Å; K159-F163 HydrophobicContact CB-CB 4.01Å; K159-F163 HydrophobicContact CD-CD2 4.36Å |
| 160 | G | 83.7 | Confident | 84.3 | Confident | 43 Ų | 43 | 132.7 Ų | 132.7 | 44% | 0.443 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | 50.9 | -122.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | K156 R162 F163 | K156-G160 WeakPolarHBondContact O-CA 3.4Å; K156-G160 PolarHBondContact O-N 3.14Å; K156-G160 VanDerWaalsContact O-N 3.1Å; G160-R162 PolarHBondContact O-N 3.19Å; G160-F163 WeakPolarHBondContact O-CB 3.21Å; G160-F163 PolarHBondContact O-N 2.91Å; G160-F163 VanDerWaalsContact O-N 3.16Å |
| 161 | K | 81.7 | Confident | 83 | Confident | 223 Ų | 223 | 133.9 Ų | 133.9 | 97% | 0.97 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -64.5 | -18.9 | -179.2 | -63.3 | -176.1 | -179.5 | -179 | 0 | 114.5 | K159 F163 | K159-K161 PolarHBondContact O-N 3.43Å; K161-F163 VanDerWaalsContact C-N 3.29Å |
| 162 | R | 82 | Confident | 81.7 | Confident | 228 Ų | 228 | 136.8 Ų | 136.8 | 86% | 0.86 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -84.6 | -0.8 | 177.6 | -65 | -175.9 | 177.5 | -176.6 | -0.3 | 113.1 | K159 G160 T164 | K159-R162 HydrophobicContact CB-CB 4.45Å; K159-R162 PolarHBondContact O-N 2.92Å; G160-R162 PolarHBondContact O-N 3.19Å; R162-T164 PolarHBondContact O-N 2.88Å |
| 163 | F | 84.4 | Confident | 80.3 | Confident | 40 Ų | 40 | 144 Ų | 144 | 18% | 0.175 | 67% | 0.673 | C | S | . | * | trans | -77.7 | 119.2 | 179.1 | -174 | -107 | 0 | 0 | 0 | 111.3 | E152 M155 K156 K159 G160 K161 E165 | E152-F163 HydrophobicContact CG-CE1 3.96Å; E152-F163 HydrophobicContact CG-CZ 3.48Å; E152-F163 VanDerWaalsContact CG-CZ 3.48Å; M155-F163 HydrophobicContact CB-CD2 3.87Å; M155-F163 HydrophobicContact CB-CE2 3.51Å; M155-F163 HydrophobicContact CB-CZ 4.43Å; K156-F163 HydrophobicContact CB-CD1 3.75Å; K156-F163 HydrophobicContact CB-CE1 4.06Å; K156-F163 HydrophobicContact CB-CG 4.04Å; K156-F163 HydrophobicContact CD-CD1 4.26Å; K156-F163 HydrophobicContact CG-CD1 3.86Å; K156-F163 HydrophobicContact CG-CE1 4.47Å; K156-F163 HydrophobicContact CG-CG 4.35Å; K159-F163 HydrophobicContact CB-CB 4.01Å; K159-F163 HydrophobicContact CD-CD2 4.36Å; G160-F163 WeakPolarHBondContact O-CB 3.21Å; G160-F163 PolarHBondContact O-N 2.91Å; G160-F163 VanDerWaalsContact O-N 3.16Å; K161-F163 VanDerWaalsContact C-N 3.29Å; F163-E165 HydrophobicContact CD1-CG 3.97Å; F163-E165 HydrophobicContact CE1-CB 4.41Å; F163-E165 HydrophobicContact CE1-CG 3.7Å | ||
| 164 | T | 82.9 | Confident | 78.8 | Confident | 122 Ų | 122 | 148.4 Ų | 148.4 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -94.2 | 111.2 | 172 | 44.6 | 0 | 0 | 0 | 0 | 110 | R162 | R162-T164 PolarHBondContact O-N 2.88Š| ||
| 165 | E | 80.9 | Confident | 77.9 | Confident | 122 Ų | 122 | 148.9 Ų | 148.9 | 57% | 0.57 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140 | 176.8 | -74.4 | -179.7 | 179.6 | 0 | 0 | 111.1 | K156 F163 K167 | K156-E165 IonicContact NZ-OE1 2.68Å; K156-E165 PolarHBondContact NZ-OE1 2.91Å; F163-E165 HydrophobicContact CD1-CG 3.97Å; F163-E165 HydrophobicContact CE1-CB 4.41Å; F163-E165 HydrophobicContact CE1-CG 3.7Å; E165-K167 PolarHBondContact O-N 3.35Å |
| 166 | R | 78.1 | Confident | 77.1 | Confident | 200 Ų | 200 | 154.5 Ų | 154.5 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 123.3 | 176.3 | -72 | -178.3 | 172 | 178.4 | -2.2 | 108.6 | ||
| 167 | K | 78.9 | Confident | 76.4 | Confident | 191 Ų | 191 | 152.6 Ų | 152.6 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 135.7 | 171.7 | -67 | -179.1 | -179.5 | 177.7 | 0 | 108.9 | E165 V169 | E165-K167 PolarHBondContact O-N 3.35Å; K167-V169 PolarHBondContact O-N 3.37Å |
| 168 | P | 74.3 | Confident | 76 | Confident | 116 Ų | 116 | 149.4 Ų | 149.4 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.9 | 178.5 | 24.2 | -33.2 | 0 | 0 | 0 | 109.7 | R170 | P168-R170 PolarHBondContact O-N 2.85Å; P168-R170 VanDerWaalsContact O-N 3.13Å |
| 169 | V | 70.6 | Confident | 75.6 | Confident | 123 Ų | 123 | 150.6 Ų | 150.6 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 116.3 | 172.6 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | K167 L171 | K167-V169 PolarHBondContact O-N 3.37Å; V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 PolarHBondContact O-N 3.01Å |
| 170 | R | 67.7 | Low | 75.3 | Confident | 205 Ų | 205 | 150.5 Ų | 150.5 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | trans | -70.6 | 93.4 | 175.2 | -67.5 | -158.6 | -176.4 | -156 | 2.9 | 109 | P168 N172 R173 | P168-R170 PolarHBondContact O-N 2.85Å; P168-R170 VanDerWaalsContact O-N 3.13Å; R170-N172 PolarHBondContact O-N 3.27Å; R170-N172 VanDerWaalsContact O-N 3.1Å; R170-R173 PolarHBondContact O-N 3.09Å | ||
| 171 | L | 67.4 | Low | 75.3 | Confident | 149 Ų | 149 | 152.6 Ų | 152.6 | 78% | 0.78 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -13.2 | 176.2 | -62.7 | 178.4 | 0 | 0 | 0 | 113 | V169 R173 | V169-L171 VanDerWaalsContact C-N 3.35Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 PolarHBondContact O-N 3.01Å; L171-R173 PolarHBondContact O-N 3.38Å |
| 172 | N | 63.1 | Low | 75.4 | Confident | 155 Ų | 155 | 146.1 Ų | 146.1 | 83% | 0.829 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -8.5 | 176.3 | -59 | 11.6 | 0 | 0 | 0 | 113.5 | R170 R174 | R170-N172 PolarHBondContact O-N 3.27Å; R170-N172 VanDerWaalsContact O-N 3.1Å; N172-R174 PolarHBondContact O-N 2.79Å; N172-R174 VanDerWaalsContact O-N 3.14Å |
| 173 | R | 61.1 | Low | 75.5 | Confident | 218 Ų | 218 | 141.5 Ų | 141.5 | 82% | 0.823 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -71.6 | 107.9 | 168.9 | -70.2 | -167.5 | -179.1 | -162.8 | 0.4 | 107.6 | R170 L171 Q175 | R170-R173 PolarHBondContact O-N 3.09Å; L171-R173 PolarHBondContact O-N 3.38Å; R173-Q175 PolarHBondContact O-N 2.84Å; R173-Q175 VanDerWaalsContact O-N 3.11Å |
| 174 | R | 59.8 | Low | 75.4 | Confident | 239 Ų | 239 | 145.4 Ų | 145.4 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | trans | -30.8 | 113.9 | -179.4 | -67.9 | -175.9 | 171.7 | -162.4 | -3.9 | 110.8 | N172 K176 | N172-R174 PolarHBondContact O-N 2.79Å; N172-R174 VanDerWaalsContact O-N 3.14Å; R174-K176 PolarHBondContact O-N 3.16Å | ||
| 175 | Q | 71.1 | Confident | 75.4 | Confident | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 128.6 | 170.4 | -176.1 | 150.7 | -10.7 | 0 | 0 | 107.9 | R173 L177 | R173-Q175 PolarHBondContact O-N 2.84Å; R173-Q175 VanDerWaalsContact O-N 3.11Å; Q175-L177 PolarHBondContact O-N 3.08Å |
| 176 | K | 73 | Confident | 75.4 | Confident | 195 Ų | 195 | 145.2 Ų | 145.2 | 85% | 0.848 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 132.8 | 172.7 | -74.3 | -174.9 | 176.5 | -176.5 | 0 | 106.7 | R174 | R174-K176 PolarHBondContact O-N 3.16Š|
| 177 | L | 74.9 | Confident | 75.4 | Confident | 69 Ų | 69 | 138.9 Ų | 138.9 | 36% | 0.361 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 144.1 | 173 | -68.1 | 161.5 | 0 | 0 | 0 | 108.8 | Q175 E181 I182 K185 | Q175-L177 PolarHBondContact O-N 3.08Å; L177-E181 VanDerWaalsContact CA-OE2 3.32Å; L177-E181 WeakPolarHBondContact CA-OE2 3.33Å; L177-E181 HydrophobicContact CB-CB 3.96Å; L177-E181 HydrophobicContact CD2-CB 4.08Å; L177-E181 HydrophobicContact CD2-CG 4.49Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.45Å; L177-I182 HydrophobicContact CB-CD1 4.45Å; L177-I182 HydrophobicContact CB-CG1 3.76Å; L177-I182 WeakPolarHBondContact O-CD1 3.41Å; L177-K185 HydrophobicContact CD1-CD 3.87Å |
| 178 | T | 81.5 | Confident | 75.2 | Confident | 76 Ų | 76 | 137 Ų | 137 | 47% | 0.466 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 156.6 | 172.3 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | D180 E181 I182 | T178-D180 PolarHBondContact O-N 3.05Å; T178-E181 PolarHBondContact N-OE2 2.99Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 WeakPolarHBondContact OG1-CG 3.35Å; T178-E181 PolarHBondContact OG1-OE2 3.05Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.04Å |
| 179 | E | 83.8 | Confident | 75.4 | Confident | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -55.9 | -35.5 | -178.7 | -68.3 | -175.9 | 179.6 | 0 | 0 | 112.3 | I182 K183 | E179-I182 PolarHBondContact O-N 3.46Å; E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 3.01Å |
| 180 | D | 81.6 | Confident | 75.6 | Confident | 116 Ų | 116 | 133.5 Ų | 133.5 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.6 | -46.3 | 177.6 | -61.1 | -31.4 | 0 | 0 | 0 | 111.6 | T178 I182 K183 E184 | T178-D180 PolarHBondContact O-N 3.05Å; D180-I182 VanDerWaalsContact C-N 3.27Å; D180-I182 PolarHBondContact O-N 3.1Å; D180-K183 PolarHBondContact O-N 2.91Å; D180-E184 WeakPolarHBondContact O-CB 3.36Å; D180-E184 PolarHBondContact O-N 3.34Å |
| 181 | E | 83.7 | Confident | 75.7 | Confident | 87 Ų | 87 | 134.4 Ų | 134.4 | 41% | 0.407 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.4 | -33.8 | 173.9 | -72.4 | 170.4 | 149.7 | 0 | 0 | 112.4 | L177 T178 K185 | L177-E181 VanDerWaalsContact CA-OE2 3.32Å; L177-E181 WeakPolarHBondContact CA-OE2 3.33Å; L177-E181 HydrophobicContact CB-CB 3.96Å; L177-E181 HydrophobicContact CD2-CB 4.08Å; L177-E181 HydrophobicContact CD2-CG 4.49Å; L177-E181 WeakPolarHBondContact CD2-OE2 3.45Å; T178-E181 PolarHBondContact N-OE2 2.99Å; T178-E181 PolarHBondContact O-N 3.3Å; T178-E181 VanDerWaalsContact O-N 3.14Å; T178-E181 WeakPolarHBondContact OG1-CG 3.35Å; T178-E181 PolarHBondContact OG1-OE2 3.05Å; E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 PolarHBondContact O-N 3.29Å |
| 182 | I | 83.5 | Confident | 75.7 | Confident | 87 Ų | 87 | 129.7 Ų | 129.7 | 45% | 0.446 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.9 | -47.5 | 174.4 | -66.1 | 168.5 | 0 | 0 | 0 | 109.8 | L177 T178 E179 D180 K185 L186 | L177-I182 HydrophobicContact CB-CD1 4.45Å; L177-I182 HydrophobicContact CB-CG1 3.76Å; L177-I182 WeakPolarHBondContact O-CD1 3.41Å; T178-I182 WeakPolarHBondContact O-CG1 3.47Å; T178-I182 PolarHBondContact O-N 3.04Å; E179-I182 PolarHBondContact O-N 3.46Å; D180-I182 VanDerWaalsContact C-N 3.27Å; D180-I182 PolarHBondContact O-N 3.1Å; I182-K185 PolarHBondContact O-N 2.9Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.48Å |
| 183 | K | 82.7 | Confident | 75.9 | Confident | 131 Ų | 131 | 125.4 Ų | 125.4 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.5 | -43.9 | 177.9 | -75.3 | 173.8 | -173.4 | 169.2 | 0 | 111.5 | E179 D180 L186 A187 | E179-K183 WeakPolarHBondContact O-CG 3.35Å; E179-K183 PolarHBondContact O-N 3.01Å; D180-K183 PolarHBondContact O-N 2.91Å; K183-L186 WeakPolarHBondContact O-CB 3.36Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-L186 VanDerWaalsContact O-N 3.16Å; K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 2.9Å |
| 184 | E | 82.8 | Confident | 76.3 | Confident | 122 Ų | 122 | 119.4 Ų | 119.4 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.7 | -44.8 | 179 | -169.1 | 177.4 | -161.7 | 0 | 0 | 111.4 | D180 L186 A187 H188 | D180-E184 WeakPolarHBondContact O-CB 3.36Å; D180-E184 PolarHBondContact O-N 3.34Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 3.19Å; E184-A187 PolarHBondContact O-N 3.11Å; E184-H188 PolarHBondContact O-N 3.24Å; E184-H188 VanDerWaalsContact O-N 3.09Å; E184-H188 PolarHBondContact O-ND1 3.29Å |
| 185 | K | 82.3 | Confident | 76.8 | Confident | 134 Ų | 134 | 117.7 Ų | 117.7 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.2 | -36.5 | 171.6 | -89.1 | -168.3 | 175.2 | 175.3 | 0 | 113.1 | L177 E181 I182 S189 | L177-K185 HydrophobicContact CD1-CD 3.87Å; E181-K185 WeakPolarHBondContact O-CB 3.4Å; E181-K185 PolarHBondContact O-N 3.29Å; I182-K185 PolarHBondContact O-N 2.9Å; K185-S189 PolarHBondContact O-N 3.11Å; K185-S189 VanDerWaalsContact O-N 3.11Å |
| 186 | L | 81 | Confident | 76.6 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 55% | 0.55 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.4 | -44.3 | 177.8 | -153.1 | 75 | 0 | 0 | 0 | 110 | I182 K183 E184 H188 S189 T192 | I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.48Å; K183-L186 WeakPolarHBondContact O-CB 3.36Å; K183-L186 PolarHBondContact O-N 3.26Å; K183-L186 VanDerWaalsContact O-N 3.16Å; E184-L186 VanDerWaalsContact C-N 3.27Å; E184-L186 PolarHBondContact O-N 3.19Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.82Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.05Å; L186-T192 HydrophobicContact CG-CG2 4.33Å; L186-T192 WeakPolarHBondContact O-CG2 3.45Å; L186-T192 PolarHBondContact O-OG1 3.04Å |
| 187 | A | 78.7 | Confident | 76.1 | Confident | 68 Ų | 68 | 105 Ų | 105 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.6 | -32.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K183 E184 T192 | K183-A187 WeakPolarHBondContact O-CB 3.4Å; K183-A187 PolarHBondContact O-N 2.9Å; E184-A187 PolarHBondContact O-N 3.11Å; A187-T192 PolarHBondContact O-OG1 3.06Å; A187-T192 VanDerWaalsContact O-OG1 3.05Å |
| 188 | H | 74.3 | Confident | 75.3 | Confident | 152 Ų | 152 | 108 Ų | 108 | 70% | 0.704 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -0.1 | 174.5 | -65.3 | 84.7 | 0 | 0 | 0 | 113.3 | E184 L186 | E184-H188 PolarHBondContact O-N 3.24Å; E184-H188 VanDerWaalsContact O-N 3.09Å; E184-H188 PolarHBondContact O-ND1 3.29Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 2.82Å |
| 189 | S | 79.6 | Confident | 74.3 | Confident | 37 Ų | 37 | 106.7 Ų | 106.7 | 26% | 0.259 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -72.6 | 140.9 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 109.3 | K185 L186 R191 T192 | K185-S189 PolarHBondContact O-N 3.11Å; K185-S189 VanDerWaalsContact O-N 3.11Å; L186-S189 WeakPolarHBondContact O-CB 3.1Å; L186-S189 PolarHBondContact O-N 3.05Å; S189-R191 PolarHBondContact O-N 2.99Å; S189-R191 PolarHBondContact OG-N 2.9Å; S189-T192 PolarHBondContact O-N 3.35Å; S189-T192 PolarHBondContact O-OG1 3.34Å |
| 190 | S | 74.6 | Confident | 73.2 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 90% | 0.895 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -6.9 | 168.2 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 191 | R | 70.2 | Confident | 72.5 | Confident | 224 Ų | 224 | 105.8 Ų | 105.8 | 85% | 0.845 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -19.2 | 175.9 | -66.7 | 179.1 | 166.4 | 160.3 | -3.4 | 114 | S189 | S189-R191 PolarHBondContact O-N 2.99Å; S189-R191 PolarHBondContact OG-N 2.9Å |
| 192 | T | 67.2 | Low | 71.6 | Confident | 50 Ų | 50 | 104.2 Ų | 104.2 | 31% | 0.307 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -80.3 | 126 | 174.9 | 32.8 | 0 | 0 | 0 | 0 | 109.9 | L186 A187 S189 | L186-T192 HydrophobicContact CG-CG2 4.33Å; L186-T192 WeakPolarHBondContact O-CG2 3.45Å; L186-T192 PolarHBondContact O-OG1 3.04Å; A187-T192 PolarHBondContact O-OG1 3.06Å; A187-T192 VanDerWaalsContact O-OG1 3.05Å; S189-T192 PolarHBondContact O-N 3.35Å; S189-T192 PolarHBondContact O-OG1 3.34Å |
| 193 | P | 66.7 | Low | 70.9 | Confident | 65 Ų | 65 | 105.6 Ų | 105.6 | 42% | 0.422 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -62.5 | 139.8 | 177 | -14 | 25.7 | 0 | 0 | 0 | 110.3 | C197 | P193-C197 HydrophobicContact CB-CB 4.46Š|
| 194 | P | 70.4 | Confident | 70.1 | Confident | 91 Ų | 91 | 100.1 Ų | 100.1 | 59% | 0.591 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 147 | 172.7 | 17.7 | -22.4 | 0 | 0 | 0 | 110.8 | G196 C197 | P194-G196 PolarHBondContact O-N 3.38Å; P194-C197 HydrophobicContact CG-CB 4.38Å; P194-C197 WeakPolarHBondContact O-CB 3.04Å; P194-C197 PolarHBondContact O-N 3.2Å; P194-C197 VanDerWaalsContact O-N 3.08Å |
| 195 | E | 69.2 | Low | 69.5 | Low | 204 Ų | 204 | 96.9 Ų | 96.9 | 95% | 0.953 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 129.6 | 177 | -73.4 | -172.7 | 157.8 | 0 | 0 | 110.2 | ||
| 196 | G | 67 | Low | 69 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 62% | 0.619 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.1 | -7.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P194 | P194-G196 PolarHBondContact O-N 3.38Š|
| 197 | C | 63.5 | Low | 68.7 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 34% | 0.338 | 57% | 0.567 | S | S | . | * | trans | -89.8 | -0.6 | 174.6 | -72.9 | 0 | 0 | 0 | 0 | 114.6 | P193 P194 G199 F200 S204 | P193-C197 HydrophobicContact CB-CB 4.46Å; P194-C197 HydrophobicContact CG-CB 4.38Å; P194-C197 WeakPolarHBondContact O-CB 3.04Å; P194-C197 PolarHBondContact O-N 3.2Å; P194-C197 VanDerWaalsContact O-N 3.08Å; C197-G199 PolarHBondContact O-N 3.49Å; C197-F200 PolarHBondContact O-N 2.87Å; C197-F200 VanDerWaalsContact O-N 3.1Å; C197-S204 PolarHBondContact O-OG 3.1Å | ||
| 198 | L | 57.6 | Low | 68.5 | Low | 133 Ų | 133 | 98.9 Ų | 98.9 | 70% | 0.696 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 110 | 178.2 | -65.2 | 178.2 | 0 | 0 | 0 | 109.8 | ||
| 199 | G | 59.7 | Low | 68.5 | Low | 49 Ų | 49 | 95.1 Ų | 95.1 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.2 | -9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | C197 | C197-G199 PolarHBondContact O-N 3.49Š|
| 200 | F | 61.2 | Low | 68.2 | Low | 184 Ų | 184 | 95.7 Ų | 95.7 | 81% | 0.807 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -20.5 | 178.4 | -78.6 | -84.3 | 0 | 0 | 0 | 114 | C197 | C197-F200 PolarHBondContact O-N 2.87Å; C197-F200 VanDerWaalsContact O-N 3.1Å |
| 201 | S | 66.1 | Low | 68.3 | Low | 61 Ų | 61 | 93 Ų | 93 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -124.7 | 139.1 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | V203 S204 N205 | S201-V203 PolarHBondContact O-N 2.69Å; S201-V203 VanDerWaalsContact O-N 3.11Å; S201-V203 PolarHBondContact OG-N 3.15Å; S201-S204 WeakPolarHBondContact CB-OG 3.1Å; S201-S204 PolarHBondContact N-OG 3.27Å; S201-S204 VanDerWaalsContact N-OG 3.15Å; S201-S204 WeakPolarHBondContact O-CA 3.48Å; S201-S204 PolarHBondContact O-N 3.26Å; S201-S204 PolarHBondContact O-OG 3.44Å; S201-N205 PolarHBondContact O-N 3.32Å |
| 202 | A | 66.4 | Low | 68.5 | Low | 54 Ų | 54 | 87 Ų | 87 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -51.4 | -34.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S204 F208 | A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.11Å; A202-F208 HydrophobicContact CB-CD1 4.06Å; A202-F208 HydrophobicContact CB-CE1 3.77Å; A202-F208 HydrophobicContact CB-CZ 4.15Å; A202-F208 WeakPolarHBondContact O-CD1 3.49Å |
| 203 | V | 67.9 | Low | 68.6 | Low | 115 Ų | 115 | 92.4 Ų | 92.4 | 70% | 0.697 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -74.8 | -23.8 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | S201 | S201-V203 PolarHBondContact O-N 2.69Å; S201-V203 VanDerWaalsContact O-N 3.11Å; S201-V203 PolarHBondContact OG-N 3.15Å |
| 204 | S | 66.3 | Low | 68.8 | Low | 16 Ų | 16 | 93 Ų | 93 | 11% | 0.112 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -93.8 | -8.4 | -178.7 | 68.1 | 0 | 0 | 0 | 0 | 114 | C197 S201 A202 P206 | C197-S204 PolarHBondContact O-OG 3.1Å; S201-S204 WeakPolarHBondContact CB-OG 3.1Å; S201-S204 PolarHBondContact N-OG 3.27Å; S201-S204 VanDerWaalsContact N-OG 3.15Å; S201-S204 WeakPolarHBondContact O-CA 3.48Å; S201-S204 PolarHBondContact O-N 3.26Å; S201-S204 PolarHBondContact O-OG 3.44Å; A202-S204 VanDerWaalsContact C-N 3.34Å; A202-S204 PolarHBondContact O-N 3.11Å; S204-P206 WeakPolarHBondContact O-CD 3.5Å |
| 205 | N | 69.7 | Low | 68.2 | Low | 55 Ų | 55 | 91.6 Ų | 91.6 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | trans | -90.4 | 111.4 | -177.2 | -176.9 | -13.7 | 0 | 0 | 0 | 110 | S201 E207 F208 M209 | S201-N205 PolarHBondContact O-N 3.32Å; N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 2.98Å; N205-E207 PolarHBondContact OD1-N 2.68Å; N205-F208 HydrophobicContact CB-CB 3.89Å; N205-F208 PolarHBondContact O-N 3.25Å; N205-F208 PolarHBondContact OD1-N 3.45Å; N205-M209 WeakPolarHBondContact O-CG 3.34Å; N205-M209 PolarHBondContact O-N 2.88Å | ||
| 206 | P | 72.5 | Confident | 67.6 | Low | 101 Ų | 101 | 85.3 Ų | 85.3 | 66% | 0.656 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -31.2 | -177.3 | 25.5 | -32.6 | 0 | 0 | 0 | 113 | S204 G210 | S204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-G210 PolarHBondContact O-N 3.43Å |
| 207 | E | 74.1 | Confident | 66.4 | Low | 164 Ų | 164 | 94.3 Ų | 94.3 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.5 | -44.7 | 176.6 | -67.6 | -155.6 | 153 | 0 | 0 | 111.6 | N205 G210 S211 | N205-E207 VanDerWaalsContact C-N 3.3Å; N205-E207 PolarHBondContact O-N 2.98Å; N205-E207 PolarHBondContact OD1-N 2.68Å; E207-G210 PolarHBondContact O-N 3.21Å; E207-S211 PolarHBondContact O-N 3.16Å; E207-S211 PolarHBondContact O-OG 3.21Å |
| 208 | F | 74.4 | Confident | 66.6 | Low | 84 Ų | 84 | 96.6 Ų | 96.6 | 37% | 0.368 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.4 | -45.3 | 177.6 | 176.5 | -93.1 | 0 | 0 | 0 | 112.1 | A202 N205 G210 S211 L212 | A202-F208 HydrophobicContact CB-CD1 4.06Å; A202-F208 HydrophobicContact CB-CE1 3.77Å; A202-F208 HydrophobicContact CB-CZ 4.15Å; A202-F208 WeakPolarHBondContact O-CD1 3.49Å; N205-F208 HydrophobicContact CB-CB 3.89Å; N205-F208 PolarHBondContact O-N 3.25Å; N205-F208 PolarHBondContact OD1-N 3.45Å; F208-G210 VanDerWaalsContact C-N 3.3Å; F208-G210 PolarHBondContact O-N 3.47Å; F208-S211 PolarHBondContact O-N 3.33Å; F208-S211 PolarHBondContact O-OG 3.13Å; F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE2-CD1 4.35Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 PolarHBondContact O-N 3.1Å |
| 209 | M | 73.8 | Confident | 67 | Low | 73 Ų | 73 | 94.6 Ų | 94.6 | 36% | 0.36 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.5 | -32.1 | 178.8 | -70.9 | -63.8 | -67.6 | 0 | 0 | 112 | N205 F213 | N205-M209 WeakPolarHBondContact O-CG 3.34Å; N205-M209 PolarHBondContact O-N 2.88Å; M209-F213 HydrophobicContact CE-CE2 4.22Å |
| 210 | G | 73.6 | Confident | 67.4 | Low | 49 Ų | 49 | 97.2 Ų | 97.2 | 51% | 0.505 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -41 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P206 E207 F208 A214 | P206-G210 PolarHBondContact O-N 3.43Å; E207-G210 PolarHBondContact O-N 3.21Å; F208-G210 VanDerWaalsContact C-N 3.3Å; F208-G210 PolarHBondContact O-N 3.47Å; G210-A214 WeakPolarHBondContact O-CB 3.38Å |
| 211 | S | 76.6 | Confident | 67.8 | Low | 72 Ų | 72 | 92.1 Ų | 92.1 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.9 | -28.8 | 179.1 | 61.4 | 0 | 0 | 0 | 0 | 114 | E207 F208 F213 A214 | E207-S211 PolarHBondContact O-N 3.16Å; E207-S211 PolarHBondContact O-OG 3.21Å; F208-S211 PolarHBondContact O-N 3.33Å; F208-S211 PolarHBondContact O-OG 3.13Å; S211-F213 VanDerWaalsContact C-N 3.29Å; S211-F213 PolarHBondContact O-N 3.26Å; S211-A214 PolarHBondContact O-N 3.42Å |
| 212 | L | 75 | Confident | 67.9 | Low | 97 Ų | 97 | 94 Ų | 94 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.7 | -33.9 | -175.8 | -158.4 | 96.1 | 0 | 0 | 0 | 113.2 | F208 | F208-L212 HydrophobicContact CE1-CD1 3.71Å; F208-L212 HydrophobicContact CE2-CD1 4.35Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 PolarHBondContact O-N 3.1Å |
| 213 | F | 69 | Low | 68 | Low | 163 Ų | 163 | 96.7 Ų | 96.7 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -106.2 | -7.8 | -177.8 | -64.5 | -73.5 | 0 | 0 | 0 | 113.7 | M209 S211 G215 | M209-F213 HydrophobicContact CE-CE2 4.22Å; S211-F213 VanDerWaalsContact C-N 3.29Å; S211-F213 PolarHBondContact O-N 3.26Å; F213-G215 PolarHBondContact O-N 3.14Å |
| 214 | A | 70.1 | Confident | 68 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -75.4 | -3.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G210 S211 | G210-A214 WeakPolarHBondContact O-CB 3.38Å; S211-A214 PolarHBondContact O-N 3.42Å |
| 215 | G | 57.9 | Low | 68.2 | Low | 63 Ų | 63 | 101.5 Ų | 101.5 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | trans | 58.2 | 66.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111 | F213 L217 | F213-G215 PolarHBondContact O-N 3.14Å; G215-L217 PolarHBondContact O-N 3.32Å | ||
| 216 | G | 57.2 | Low | 68 | Low | 72 Ų | 72 | 105.3 Ų | 105.3 | 74% | 0.742 | 64% | 0.643 | S | S | * | * | trans | -62.5 | 130.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 217 | L | 42.3 | Very low | 67.6 | Low | 249 Ų | 249 | 105.7 Ų | 105.7 | 100% | 1.304 | 64% | 0.642 | S | S | * | * | trans | -51.8 | 0 | 165.9 | -92.7 | 95.2 | 0 | 0 | 0 | 112.3 | G215 | G215-L217 PolarHBondContact O-N 3.32Š|
Retrieved 217 of 217 residues in 46.2 ms
(Link to these results)