| 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 | 37.6 | Very low | 55.9 | Low | 233 Ų | 233 | 128.1 Ų | 128.1 | 100% | 1.148 | 70% | 0.702 | S | S | * | * | 0 | 103.6 | 0 | -157.7 | 170.5 | -169.7 | 0 | 0 | 105.1 | I3 | M1-I3 PolarHBondContact O-N 2.61Å; M1-I3 VanDerWaalsContact O-N 3.08Å | |||
| 2 | N | 35.5 | Very low | 59.3 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 86% | 0.856 | 65% | 0.646 | S | S | * | * | trans | -71.2 | 106.6 | -177.9 | -73.2 | -12.6 | 0 | 0 | 0 | 107.4 | V4 | N2-V4 VanDerWaalsContact C-N 3.29Å; N2-V4 PolarHBondContact O-N 2.96Å | ||
| 3 | I | 40 | Very low | 62.2 | Low | 150 Ų | 150 | 108.8 Ų | 108.8 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -67 | 99.3 | 164.2 | -59.6 | 170.1 | 0 | 0 | 0 | 104 | M1 N5 | M1-I3 PolarHBondContact O-N 2.61Å; M1-I3 VanDerWaalsContact O-N 3.08Å; I3-N5 PolarHBondContact O-N 3.27Å | ||
| 4 | V | 42.8 | Very low | 64.7 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 73% | 0.733 | 55% | 0.554 | S | S | * | * | trans | -64.4 | 107.7 | 164.9 | -179.5 | 0 | 0 | 0 | 0 | 104.3 | N2 T6 | N2-V4 VanDerWaalsContact C-N 3.29Å; N2-V4 PolarHBondContact O-N 2.96Å; V4-T6 PolarHBondContact O-N 3.17Å | ||
| 5 | N | 38.3 | Very low | 66.8 | Low | 127 Ų | 127 | 94.3 Ų | 94.3 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | trans | -50.9 | 116.9 | 170.9 | -92.3 | -8.9 | 0 | 0 | 0 | 107.6 | I3 E7 | I3-N5 PolarHBondContact O-N 3.27Å; N5-E7 PolarHBondContact O-N 3.26Å; N5-E7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | T | 46.9 | Very low | 68.7 | Low | 118 Ų | 118 | 88.4 Ų | 88.4 | 72% | 0.724 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -73.7 | 13 | 175.2 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | V4 | V4-T6 PolarHBondContact O-N 3.17Š|
| 7 | E | 49.6 | Very low | 70.2 | Confident | 155 Ų | 155 | 84.6 Ų | 84.6 | 72% | 0.724 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -94.4 | -1.3 | -161.7 | -80.5 | -167.9 | 161.9 | 0 | 0 | 117.1 | N5 | N5-E7 PolarHBondContact O-N 3.26Å; N5-E7 VanDerWaalsContact O-N 3.12Å |
| 8 | D | 63.6 | Low | 71.6 | Confident | 158 Ų | 158 | 80.3 Ų | 80.3 | 85% | 0.845 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -141.5 | 45 | 172.8 | -69.2 | -52.2 | 0 | 0 | 0 | 112.9 | ||
| 9 | T | 75.8 | Confident | 72.8 | Confident | 86 Ų | 86 | 78.8 Ų | 78.8 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 123.3 | 162.1 | 51.5 | 0 | 0 | 0 | 0 | 108.1 | S72 | T9-S72 VanDerWaalsContact OG1-CB 3.25Å; T9-S72 WeakPolarHBondContact OG1-CB 3.42Å |
| 10 | P | 89.4 | Confident | 73.9 | Confident | 70 Ų | 70 | 79.6 Ų | 79.6 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 152 | -178.8 | 27.5 | -34.9 | 0 | 0 | 0 | 110.3 | P101 | P10-P101 HydrophobicContact CB-CB 4.48Å; P10-P101 HydrophobicContact CG-CB 3.85Å |
| 11 | A | 95.7 | Very high | 74.8 | Confident | 31 Ų | 31 | 83.4 Ų | 83.4 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 151.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F70 L102 | A11-F70 CarbonylContact C-O 3.59Å; A11-F70 WeakPolarHBondContact CA-O 3.24Å; A11-L102 HydrophobicContact CB-CD1 4.16Å; A11-L102 WeakPolarHBondContact O-CB 3.2Å; A11-L102 PolarHBondContact O-N 2.98Å |
| 12 | V | 97 | Very high | 77.5 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 4% | 0.036 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.3 | -176.3 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | H69 F70 A73 A76 I99 V100 | V12-H69 WeakPolarHBondContact O-CA 3.13Å; V12-F70 HydrophobicContact CG2-CB 3.87Å; V12-F70 PolarHBondContact N-O 3.49Å; V12-F70 PolarHBondContact O-N 3.09Å; V12-A73 HydrophobicContact CG1-CB 4.05Å; V12-A76 HydrophobicContact CG2-CB 4.07Å; V12-I99 HydrophobicContact CB-CG2 3.75Å; V12-I99 HydrophobicContact CG1-CG2 4.08Å; V12-I99 HydrophobicContact CG2-CG2 3.78Å; V12-V100 CarbonylContact C-O 3.59Å; V12-V100 VanDerWaalsContact CA-O 3.23Å; V12-V100 WeakPolarHBondContact CA-O 3.42Å; V12-V100 WeakPolarHBondContact CB-O 3.27Å |
| 13 | L | 96.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.9 | 166.5 | -158 | 70.9 | 0 | 0 | 0 | 109.1 | I15 V46 F67 L68 I99 V100 L102 I106 I166 | L13-I15 HydrophobicContact CD2-CG1 4.16Å; L13-I15 HydrophobicContact CG-CG1 4.34Å; L13-V46 HydrophobicContact CD1-CB 4.5Å; L13-V46 HydrophobicContact CD1-CG2 3.82Å; L13-F67 HydrophobicContact CD1-CB 4.24Å; L13-F67 HydrophobicContact CD2-CD1 3.49Å; L13-F67 VanDerWaalsContact CD2-CD1 3.49Å; L13-F67 HydrophobicContact CD2-CE1 4.05Å; L13-F67 HydrophobicContact CD2-CG 4.41Å; L13-F67 HydrophobicContact CG-CD1 4.02Å; L13-L68 CarbonylContact C-O 3.56Å; L13-L68 WeakPolarHBondContact CA-O 3.44Å; L13-I99 WeakPolarHBondContact O-CA 3.24Å; L13-V100 HydrophobicContact CB-CG2 4.05Å; L13-V100 PolarHBondContact N-O 2.88Å; L13-V100 PolarHBondContact O-N 3.03Å; L13-L102 HydrophobicContact CB-CD2 4.16Å; L13-L102 HydrophobicContact CB-CG 4.44Å; L13-I106 HydrophobicContact CD1-CD1 4.31Å; L13-I166 HydrophobicContact CD2-CD1 3.51Å |
| 14 | V | 96.6 | Very high | 82.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.5 | 168.1 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | F16 F67 L68 F70 A76 I97 W98 I99 | V14-F16 HydrophobicContact CB-CE2 4.01Å; V14-F16 HydrophobicContact CG1-CD2 4.27Å; V14-F16 HydrophobicContact CG1-CE1 4.5Å; V14-F16 HydrophobicContact CG1-CE2 3.47Å; V14-F16 VanDerWaalsContact CG1-CE2 3.47Å; V14-F16 HydrophobicContact CG1-CZ 3.62Å; V14-F67 WeakPolarHBondContact O-CA 3.12Å; V14-L68 HydrophobicContact CB-CB 4.25Å; V14-L68 PolarHBondContact N-O 3.18Å; V14-L68 PolarHBondContact O-N 2.96Å; V14-F70 HydrophobicContact CG2-CD2 3.66Å; V14-F70 HydrophobicContact CG2-CE2 3.91Å; V14-A76 HydrophobicContact CG2-CB 3.64Å; V14-I97 HydrophobicContact CG1-CG2 3.71Å; V14-W98 CarbonylContact C-O 3.55Å; V14-W98 WeakPolarHBondContact CA-O 3.49Å; V14-I99 HydrophobicContact CG1-CG1 4.43Å; V14-I99 HydrophobicContact CG2-CG1 4.29Å |
| 15 | I | 96.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.9 | -178 | -52.5 | 172.7 | 0 | 0 | 0 | 107.9 | L13 V65 G66 F67 I97 W98 V100 L114 L164 I166 | L13-I15 HydrophobicContact CD2-CG1 4.16Å; L13-I15 HydrophobicContact CG-CG1 4.34Å; I15-V65 HydrophobicContact CG2-CG1 4.49Å; I15-G66 CarbonylContact C-O 3.59Å; I15-G66 WeakPolarHBondContact CA-O 3.24Å; I15-F67 HydrophobicContact CB-CE1 4.42Å; I15-F67 HydrophobicContact CD1-CE1 4.45Å; I15-F67 HydrophobicContact CG1-CD1 4Å; I15-F67 HydrophobicContact CG1-CE1 3.97Å; I15-F67 HydrophobicContact CG2-CD1 4.35Å; I15-F67 HydrophobicContact CG2-CE1 3.88Å; I15-I97 CarbonylContact O-C 3.59Å; I15-I97 VanDerWaalsContact O-CA 3.31Å; I15-I97 WeakPolarHBondContact O-CA 3.48Å; I15-W98 HydrophobicContact CB-CB 4.43Å; I15-W98 HydrophobicContact CB-CE3 4.05Å; I15-W98 HydrophobicContact CD1-CE3 4.37Å; I15-W98 HydrophobicContact CG2-CE3 3.83Å; I15-W98 HydrophobicContact CG2-CZ3 4.13Å; I15-W98 PolarHBondContact N-O 2.88Å; I15-W98 PolarHBondContact O-N 2.88Å; I15-V100 HydrophobicContact CD1-CG2 3.93Å; I15-L114 HydrophobicContact CD1-CD2 4.3Å; I15-L114 HydrophobicContact CG2-CD2 4.01Å; I15-L164 HydrophobicContact CD1-CD1 3.92Å; I15-L164 HydrophobicContact CD1-CD2 4.48Å; I15-I166 HydrophobicContact CD1-CD1 3.92Å |
| 16 | F | 96 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.6 | 173.6 | -61 | -99.1 | 0 | 0 | 0 | 107.8 | V14 F18 F26 V65 G66 L68 W79 L80 W91 E96 I97 | V14-F16 HydrophobicContact CB-CE2 4.01Å; V14-F16 HydrophobicContact CG1-CD2 4.27Å; V14-F16 HydrophobicContact CG1-CE1 4.5Å; V14-F16 HydrophobicContact CG1-CE2 3.47Å; V14-F16 VanDerWaalsContact CG1-CE2 3.47Å; V14-F16 HydrophobicContact CG1-CZ 3.62Å; F16-F18 HydrophobicContact CB-CD1 3.8Å; F16-F18 HydrophobicContact CB-CE1 4.01Å; F16-F26 HydrophobicContact CB-CE2 4.1Å; F16-F26 HydrophobicContact CD1-CE2 4.26Å; F16-F26 AromaticContact CD2-CE2 3.7Å; F16-F26 HydrophobicContact CD2-CE2 3.7Å; F16-F26 HydrophobicContact CD2-CZ 4.13Å; F16-F26 HydrophobicContact CE2-CE2 4.2Å; F16-F26 AromaticContact CG-CE2 3.74Å; F16-F26 HydrophobicContact CG-CE2 3.74Å; F16-V65 CarbonylContact O-C 3.43Å; F16-V65 WeakPolarHBondContact O-CA 3.39Å; F16-G66 PolarHBondContact N-O 2.9Å; F16-G66 PolarHBondContact O-N 2.92Å; F16-L68 HydrophobicContact CE2-CB 4.41Å; F16-L68 HydrophobicContact CE2-CD1 3.55Å; F16-L68 HydrophobicContact CE2-CG 3.73Å; F16-L68 HydrophobicContact CZ-CD1 3.79Å; F16-L68 HydrophobicContact CZ-CG 4.47Å; F16-W79 HydrophobicContact CZ-CH2 4.27Å; F16-W79 HydrophobicContact CZ-CZ3 4.06Å; F16-L80 HydrophobicContact CE1-CD2 4.43Å; F16-L80 HydrophobicContact CZ-CD2 4.31Å; F16-W91 HydrophobicContact CD1-CH2 4.09Å; F16-W91 AromaticContact CD1-CZ3 3.91Å; F16-W91 HydrophobicContact CD1-CZ3 3.91Å; F16-W91 AromaticContact CE1-CH2 3.88Å; F16-W91 HydrophobicContact CE1-CH2 3.88Å; F16-W91 AromaticContact CE1-CZ3 3.69Å; F16-W91 HydrophobicContact CE1-CZ3 3.69Å; F16-E96 CarbonylContact C-O 3.55Å; F16-E96 WeakPolarHBondContact CA-O 3.4Å; F16-I97 HydrophobicContact CD1-CD1 4.06Å; F16-I97 HydrophobicContact CD1-CG1 3.8Å; F16-I97 HydrophobicContact CE1-CD1 3.79Å; F16-I97 HydrophobicContact CE1-CG1 3.97Å; F16-I97 HydrophobicContact CE1-CG2 4.32Å |
| 17 | Q | 95.4 | Very high | 90.1 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.3 | 170.5 | -175.6 | -161.2 | -80.7 | 0 | 0 | 108.6 | W59 T63 T64 V65 A95 E96 W98 | Q17-W59 HydrophobicContact CG-CH2 3.85Å; Q17-W59 HydrophobicContact CG-CZ2 3.79Å; Q17-T63 HydrophobicContact CG-CG2 3.21Å; Q17-T64 WeakPolarHBondContact CA-O 3.42Å; Q17-V65 HydrophobicContact CB-CG1 4.45Å; Q17-A95 CarbonylContact O-C 3.56Å; Q17-A95 WeakPolarHBondContact O-CA 3.5Å; Q17-A95 WeakPolarHBondContact O-CB 3.46Å; Q17-E96 HydrophobicContact CB-CB 4.13Å; Q17-E96 PolarHBondContact N-O 3.02Å; Q17-E96 PolarHBondContact O-N 3.01Å; Q17-W98 HydrophobicContact CB-CH2 4.24Å; Q17-W98 VanDerWaalsContact OE1-CH2 3.27Å |
| 18 | F | 95.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 174.5 | -170.7 | 59.8 | -88.6 | 0 | 0 | 0 | 112.1 | F16 L22 F26 T63 T64 L92 A95 | F16-F18 HydrophobicContact CB-CD1 3.8Å; F16-F18 HydrophobicContact CB-CE1 4.01Å; F18-L22 HydrophobicContact CD2-CB 4.08Å; F18-F26 HydrophobicContact CE1-CB 4.33Å; F18-F26 AromaticContact CE1-CD2 3.86Å; F18-F26 HydrophobicContact CE1-CD2 3.86Å; F18-F26 HydrophobicContact CE1-CE2 4.32Å; F18-F26 AromaticContact CE1-CG 4Å; F18-F26 HydrophobicContact CE1-CG 4Å; F18-F26 HydrophobicContact CE2-CB 4.02Å; F18-F26 HydrophobicContact CZ-CB 3.71Å; F18-F26 HydrophobicContact CZ-CD1 4.22Å; F18-F26 HydrophobicContact CZ-CD2 4.08Å; F18-F26 AromaticContact CZ-CG 3.74Å; F18-F26 HydrophobicContact CZ-CG 3.74Å; F18-T63 WeakPolarHBondContact O-CA 3.33Å; F18-T64 HydrophobicContact CD2-CG2 3.9Å; F18-T64 HydrophobicContact CE1-CG2 4.25Å; F18-T64 HydrophobicContact CE2-CG2 3.46Å; F18-T64 VanDerWaalsContact CE2-CG2 3.46Å; F18-T64 HydrophobicContact CG-CG2 4.43Å; F18-T64 HydrophobicContact CZ-CG2 3.66Å; F18-T64 PolarHBondContact N-O 2.9Å; F18-T64 VanDerWaalsContact N-O 3.07Å; F18-T64 PolarHBondContact O-N 3.4Å; F18-L92 HydrophobicContact CB-CB 4.07Å; F18-L92 HydrophobicContact CB-CD1 4.32Å; F18-L92 HydrophobicContact CD1-CD1 4.1Å; F18-L92 HydrophobicContact CD2-CD2 4.3Å; F18-L92 HydrophobicContact CG-CD1 4.08Å; F18-A95 HydrophobicContact CB-CB 3.75Å |
| 19 | D | 94.2 | Very high | 93.5 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134 | 178.2 | -166.8 | -67.5 | 0 | 0 | 0 | 112 | E21 L22 N62 | D19-E21 PolarHBondContact O-N 3.21Å; D19-E21 VanDerWaalsContact O-N 3.15Å; D19-E21 WeakPolarHBondContact OD1-CB 3.28Å; D19-E21 WeakPolarHBondContact OD1-CG 3.39Å; D19-E21 PolarHBondContact OD1-N 3.01Å; D19-L22 HydrophobicContact CB-CD1 4.1Å; D19-L22 HydrophobicContact CB-CG 4.28Å; D19-L22 WeakPolarHBondContact O-CB 3.31Å; D19-L22 PolarHBondContact O-N 3.31Å; D19-N62 CarbonylContact C-O 3.56Å; D19-N62 WeakPolarHBondContact CA-O 3.34Å; D19-N62 PolarHBondContact OD1-ND2 2.76Å; D19-N62 PolarHBondContact OD2-ND2 2.87Å |
| 20 | K | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 38.9 Ų | 38.9 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.6 | -30 | -179.5 | 177.6 | 171.7 | 167 | 158 | 0 | 113.3 | L22 C23 E50 N62 T64 | K20-L22 PolarHBondContact O-N 3.34Å; K20-C23 WeakPolarHBondContact O-CB 3.03Å; K20-C23 PolarHBondContact O-N 3.25Å; K20-C23 PolarHBondContact O-SG 3.49Å; K20-E50 WeakPolarHBondContact CD-O 3.48Å; K20-E50 WeakPolarHBondContact CE-O 3.29Å; K20-E50 PolarHBondContact NZ-O 2.9Å; K20-N62 PolarHBondContact N-O 3.11Å; K20-T64 HydrophobicContact CB-CG2 4.43Å |
| 21 | E | 93.5 | Very high | 94.4 | Very high | 160 Ų | 160 | 38.5 Ų | 38.5 | 75% | 0.748 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -63.6 | -22.6 | 176.3 | -63.3 | -171 | 173.9 | 0 | 0 | 112.5 | D19 | D19-E21 PolarHBondContact O-N 3.21Å; D19-E21 VanDerWaalsContact O-N 3.15Å; D19-E21 WeakPolarHBondContact OD1-CB 3.28Å; D19-E21 WeakPolarHBondContact OD1-CG 3.39Å; D19-E21 PolarHBondContact OD1-N 3.01Å |
| 22 | L | 94.5 | Very high | 94.2 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -90.7 | 3.8 | -178.9 | -54.7 | 172.8 | 0 | 0 | 0 | 113.4 | F18 D19 K20 K24 T25 F26 L92 D93 | F18-L22 HydrophobicContact CD2-CB 4.08Å; D19-L22 HydrophobicContact CB-CD1 4.1Å; D19-L22 HydrophobicContact CB-CG 4.28Å; D19-L22 WeakPolarHBondContact O-CB 3.31Å; D19-L22 PolarHBondContact O-N 3.31Å; K20-L22 PolarHBondContact O-N 3.34Å; L22-K24 PolarHBondContact O-N 3.33Å; L22-T25 CarbonylContact O-C 3.46Å; L22-T25 WeakPolarHBondContact O-CA 3.41Å; L22-T25 VanDerWaalsContact O-CB 3.31Å; L22-T25 WeakPolarHBondContact O-CB 3.35Å; L22-T25 PolarHBondContact O-N 2.93Å; L22-F26 PolarHBondContact O-N 3.49Å; L22-L92 HydrophobicContact CB-CD2 3.76Å; L22-L92 VanDerWaalsContact CD1-C 3.49Å; L22-L92 HydrophobicContact CD1-CB 4.3Å; L22-L92 HydrophobicContact CD1-CD2 4.46Å; L22-D93 HydrophobicContact CD1-CB 3.93Å; L22-D93 WeakPolarHBondContact CD1-OD2 3.43Å |
| 23 | C | 94.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -50.7 | -43.2 | 176.9 | -83.1 | 0 | 0 | 0 | 0 | 113.2 | K20 T25 F26 N27 F48 A49 | K20-C23 WeakPolarHBondContact O-CB 3.03Å; K20-C23 PolarHBondContact O-N 3.25Å; K20-C23 PolarHBondContact O-SG 3.49Å; C23-T25 VanDerWaalsContact C-N 3.33Å; C23-T25 PolarHBondContact O-N 3.06Å; C23-F26 PolarHBondContact O-N 2.97Å; C23-N27 PolarHBondContact O-N 3.43Å; C23-F48 HydrophobicContact CB-CD2 4Å; C23-F48 HydrophobicContact CB-CE2 3.69Å; C23-A49 PolarHBondContact SG-O 3.43Å |
| 24 | K | 92.9 | Very high | 93.6 | Very high | 156 Ų | 156 | 53 Ų | 53 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.4 | -37.8 | 178.6 | -173 | 175.1 | -179.3 | 179.1 | 0 | 111.6 | L22 N28 | L22-K24 PolarHBondContact O-N 3.33Å; K24-N28 VanDerWaalsContact O-CB 3.3Å; K24-N28 WeakPolarHBondContact O-CB 3.1Å; K24-N28 PolarHBondContact O-N 3.14Å; K24-N28 PolarHBondContact O-ND2 3.46Å; K24-N28 VanDerWaalsContact O-ND2 3.17Å |
| 25 | T | 93.3 | Very high | 93.4 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 39% | 0.387 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | L22 C23 N28 S29 L92 | L22-T25 CarbonylContact O-C 3.46Å; L22-T25 WeakPolarHBondContact O-CA 3.41Å; L22-T25 VanDerWaalsContact O-CB 3.31Å; L22-T25 WeakPolarHBondContact O-CB 3.35Å; L22-T25 PolarHBondContact O-N 2.93Å; C23-T25 VanDerWaalsContact C-N 3.33Å; C23-T25 PolarHBondContact O-N 3.06Å; T25-N28 PolarHBondContact O-N 2.65Å; T25-S29 PolarHBondContact O-N 2.92Å; T25-S29 PolarHBondContact O-OG 3.49Å; T25-L92 HydrophobicContact CG2-CD2 4.17Å |
| 26 | F | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -57 | 174.6 | 178.2 | -95.5 | 0 | 0 | 0 | 111.4 | F16 F18 L22 C23 N28 S29 V30 F48 L68 W91 L92 | F16-F26 HydrophobicContact CB-CE2 4.1Å; F16-F26 HydrophobicContact CD1-CE2 4.26Å; F16-F26 AromaticContact CD2-CE2 3.7Å; F16-F26 HydrophobicContact CD2-CE2 3.7Å; F16-F26 HydrophobicContact CD2-CZ 4.13Å; F16-F26 HydrophobicContact CE2-CE2 4.2Å; F16-F26 AromaticContact CG-CE2 3.74Å; F16-F26 HydrophobicContact CG-CE2 3.74Å; F18-F26 HydrophobicContact CE1-CB 4.33Å; F18-F26 AromaticContact CE1-CD2 3.86Å; F18-F26 HydrophobicContact CE1-CD2 3.86Å; F18-F26 HydrophobicContact CE1-CE2 4.32Å; F18-F26 AromaticContact CE1-CG 4Å; F18-F26 HydrophobicContact CE1-CG 4Å; F18-F26 HydrophobicContact CE2-CB 4.02Å; F18-F26 HydrophobicContact CZ-CB 3.71Å; F18-F26 HydrophobicContact CZ-CD1 4.22Å; F18-F26 HydrophobicContact CZ-CD2 4.08Å; F18-F26 AromaticContact CZ-CG 3.74Å; F18-F26 HydrophobicContact CZ-CG 3.74Å; L22-F26 PolarHBondContact O-N 3.49Å; C23-F26 PolarHBondContact O-N 2.97Å; F26-N28 VanDerWaalsContact C-N 3.35Å; F26-N28 PolarHBondContact O-N 2.83Å; F26-S29 WeakPolarHBondContact O-CB 3.36Å; F26-S29 PolarHBondContact O-N 2.84Å; F26-S29 VanDerWaalsContact O-N 3.14Å; F26-V30 HydrophobicContact CD1-CG2 4.16Å; F26-V30 HydrophobicContact CD2-CG2 4.38Å; F26-V30 HydrophobicContact CE1-CG2 3.77Å; F26-V30 HydrophobicContact CE2-CG2 4.01Å; F26-V30 HydrophobicContact CG-CG2 4.45Å; F26-V30 HydrophobicContact CZ-CG2 3.69Å; F26-V30 WeakPolarHBondContact O-CG2 3.43Å; F26-V30 PolarHBondContact O-N 2.87Å; F26-F48 HydrophobicContact CD1-CB 3.81Å; F26-F48 HydrophobicContact CD1-CD1 4.18Å; F26-F48 HydrophobicContact CD1-CG 4.05Å; F26-F48 HydrophobicContact CE1-CB 3.74Å; F26-F48 HydrophobicContact CE1-CD1 4.39Å; F26-F48 HydrophobicContact CE1-CG 4.35Å; F26-L68 HydrophobicContact CZ-CD2 4.47Å; F26-W91 HydrophobicContact CD2-CH2 4.19Å; F26-W91 HydrophobicContact CD2-CZ2 4.35Å; F26-W91 HydrophobicContact CE2-CH2 4.46Å; F26-L92 HydrophobicContact CB-CD1 4.46Å; F26-L92 HydrophobicContact CB-CD2 4.1Å; F26-L92 HydrophobicContact CD2-CD1 3.85Å |
| 27 | N | 94.2 | Very high | 93 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -47.1 | -179.8 | 175.1 | 61.3 | 0 | 0 | 0 | 111.7 | C23 S29 V30 V31 F48 N207 | C23-N27 PolarHBondContact O-N 3.43Å; N27-S29 VanDerWaalsContact C-N 3.31Å; N27-S29 PolarHBondContact O-N 2.98Å; N27-V30 PolarHBondContact O-N 3.3Å; N27-V31 WeakPolarHBondContact O-CB 3.45Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.46Å; N27-V31 PolarHBondContact O-N 3.43Å; N27-F48 HydrophobicContact CB-CD1 4.48Å; N27-F48 HydrophobicContact CB-CE1 3.83Å; N27-F48 HydrophobicContact CB-CZ 4.17Å; N27-N207 PolarHBondContact OD1-OD1 3.34Å |
| 28 | N | 92.6 | Very high | 93 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 179 | -71.7 | -19.6 | 0 | 0 | 0 | 112.7 | K24 T25 F26 R32 | K24-N28 VanDerWaalsContact O-CB 3.3Å; K24-N28 WeakPolarHBondContact O-CB 3.1Å; K24-N28 PolarHBondContact O-N 3.14Å; K24-N28 PolarHBondContact O-ND2 3.46Å; K24-N28 VanDerWaalsContact O-ND2 3.17Å; T25-N28 PolarHBondContact O-N 2.65Å; F26-N28 VanDerWaalsContact C-N 3.35Å; F26-N28 PolarHBondContact O-N 2.83Å; N28-R32 WeakPolarHBondContact O-CB 3.41Å; N28-R32 WeakPolarHBondContact O-CD 3.04Å; N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 3.27Å; N28-R32 VanDerWaalsContact O-N 3.13Å |
| 29 | S | 91.7 | Very high | 92.9 | Very high | 12 Ų | 12 | 69.1 Ų | 69.1 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.8 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | T25 F26 N27 V31 R32 Q33 W91 | T25-S29 PolarHBondContact O-N 2.92Å; T25-S29 PolarHBondContact O-OG 3.49Å; F26-S29 WeakPolarHBondContact O-CB 3.36Å; F26-S29 PolarHBondContact O-N 2.84Å; F26-S29 VanDerWaalsContact O-N 3.14Å; N27-S29 VanDerWaalsContact C-N 3.31Å; N27-S29 PolarHBondContact O-N 2.98Å; S29-V31 PolarHBondContact O-N 3.16Å; S29-R32 PolarHBondContact O-N 3.19Å; S29-Q33 WeakPolarHBondContact O-CB 3.39Å; S29-Q33 WeakPolarHBondContact O-CG 3.32Å; S29-Q33 PolarHBondContact O-N 2.95Å; S29-W91 PolarHBondContact OG-NE1 2.79Å |
| 30 | V | 92.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -43.2 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | F26 N27 R32 Q33 K34 M37 L68 N207 | F26-V30 HydrophobicContact CD1-CG2 4.16Å; F26-V30 HydrophobicContact CD2-CG2 4.38Å; F26-V30 HydrophobicContact CE1-CG2 3.77Å; F26-V30 HydrophobicContact CE2-CG2 4.01Å; F26-V30 HydrophobicContact CG-CG2 4.45Å; F26-V30 HydrophobicContact CZ-CG2 3.69Å; F26-V30 WeakPolarHBondContact O-CG2 3.43Å; F26-V30 PolarHBondContact O-N 2.87Å; N27-V30 PolarHBondContact O-N 3.3Å; V30-R32 PolarHBondContact O-N 2.95Å; V30-Q33 CarbonylContact O-C 3.59Å; V30-Q33 PolarHBondContact O-N 3.22Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; V30-K34 PolarHBondContact O-N 3.47Å; V30-M37 HydrophobicContact CG1-CE 3.71Å; V30-M37 HydrophobicContact CG1-SD 4.4Å; V30-L68 HydrophobicContact CG1-CD2 3.82Å; V30-L68 HydrophobicContact CG2-CD2 4Å; V30-N207 WeakPolarHBondContact CG1-ND2 3.21Å |
| 31 | V | 92.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.376 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 177.3 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | N27 S29 Q33 K34 Y208 | N27-V31 WeakPolarHBondContact O-CB 3.45Å; N27-V31 VanDerWaalsContact O-CG2 3.25Å; N27-V31 WeakPolarHBondContact O-CG2 3.46Å; N27-V31 PolarHBondContact O-N 3.43Å; S29-V31 PolarHBondContact O-N 3.16Å; V31-Q33 PolarHBondContact O-N 2.92Å; V31-K34 WeakPolarHBondContact O-CB 3.28Å; V31-K34 PolarHBondContact O-N 3.21Å; V31-Y208 WeakPolarHBondContact CG2-O 3.39Å |
| 32 | R | 90.7 | Very high | 92.5 | Very high | 183 Ų | 183 | 62.9 Ų | 62.9 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63 | -31.7 | 176.7 | -74.1 | 172.2 | -179.4 | -170.9 | 0.8 | 112.5 | N28 S29 V30 | N28-R32 WeakPolarHBondContact O-CB 3.41Å; N28-R32 WeakPolarHBondContact O-CD 3.04Å; N28-R32 WeakPolarHBondContact O-CG 3.42Å; N28-R32 PolarHBondContact O-N 3.27Å; N28-R32 VanDerWaalsContact O-N 3.13Å; S29-R32 PolarHBondContact O-N 3.19Å; V30-R32 PolarHBondContact O-N 2.95Å |
| 33 | Q | 89.5 | Confident | 92.5 | Very high | 26 Ų | 26 | 61.7 Ų | 61.7 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.8 | -176.3 | -64.6 | -58.3 | -19.8 | 0 | 0 | 114.4 | S29 V30 V31 S35 V36 M37 D83 | S29-Q33 WeakPolarHBondContact O-CB 3.39Å; S29-Q33 WeakPolarHBondContact O-CG 3.32Å; S29-Q33 PolarHBondContact O-N 2.95Å; V30-Q33 CarbonylContact O-C 3.59Å; V30-Q33 PolarHBondContact O-N 3.22Å; V30-Q33 VanDerWaalsContact O-N 3.17Å; V31-Q33 PolarHBondContact O-N 2.92Å; Q33-S35 VanDerWaalsContact C-N 3.32Å; Q33-S35 PolarHBondContact O-N 3.26Å; Q33-V36 PolarHBondContact O-N 3.38Å; Q33-V36 VanDerWaalsContact OE1-CB 3.24Å; Q33-M37 HydrophobicContact CB-CG 4.38Å; Q33-M37 WeakPolarHBondContact O-CG 3.35Å; Q33-M37 PolarHBondContact O-N 2.7Å; Q33-D83 VanDerWaalsContact CG-OD2 3.25Å; Q33-D83 WeakPolarHBondContact CG-OD2 3.46Å; Q33-D83 PolarHBondContact NE2-OD2 3.3Å; Q33-D83 PolarHBondContact OE1-OD2 3.42Å |
| 34 | K | 91.1 | Very high | 92.5 | Very high | 134 Ų | 134 | 65.9 Ų | 65.9 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -52.6 | -44.8 | -175.9 | -171.2 | 174.7 | -174.6 | 169.2 | 0 | 113.8 | V30 V31 K38 | V30-K34 PolarHBondContact O-N 3.47Å; V31-K34 WeakPolarHBondContact O-CB 3.28Å; V31-K34 PolarHBondContact O-N 3.21Å; K34-K38 PolarHBondContact O-N 2.88Å |
| 35 | S | 92 | Very high | 92.6 | Very high | 93 Ų | 93 | 60.1 Ų | 60.1 | 65% | 0.65 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -72.5 | -32.3 | 178.6 | 55.1 | 0 | 0 | 0 | 0 | 113 | Q33 S39 | Q33-S35 VanDerWaalsContact C-N 3.32Å; Q33-S35 PolarHBondContact O-N 3.26Å; S35-S39 PolarHBondContact O-N 3.2Å |
| 36 | V | 92.3 | Very high | 92.6 | Very high | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.5 | -47.2 | 179 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | Q33 K38 S39 Y40 | Q33-V36 PolarHBondContact O-N 3.38Å; Q33-V36 VanDerWaalsContact OE1-CB 3.24Å; V36-K38 PolarHBondContact O-N 3.12Å; V36-S39 PolarHBondContact O-N 3.44Å; V36-S39 PolarHBondContact O-OG 3.2Å; V36-Y40 HydrophobicContact CG1-CD2 4.1Å; V36-Y40 HydrophobicContact CG1-CE2 3.79Å; V36-Y40 VanDerWaalsContact O-CD2 3.27Å; V36-Y40 WeakPolarHBondContact O-CD2 3.23Å; V36-Y40 PolarHBondContact O-N 2.88Å |
| 37 | M | 93.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.5 | -42.7 | 173.9 | -68.7 | -173.9 | -61.2 | 0 | 0 | 111 | V30 Q33 S39 Y40 G43 L68 F70 W79 | V30-M37 HydrophobicContact CG1-CE 3.71Å; V30-M37 HydrophobicContact CG1-SD 4.4Å; Q33-M37 HydrophobicContact CB-CG 4.38Å; Q33-M37 WeakPolarHBondContact O-CG 3.35Å; Q33-M37 PolarHBondContact O-N 2.7Å; M37-S39 VanDerWaalsContact C-N 3.25Å; M37-S39 PolarHBondContact O-N 3.47Å; M37-Y40 CarbonylContact O-C 3.53Å; M37-Y40 PolarHBondContact O-N 3.07Å; M37-Y40 VanDerWaalsContact O-O 3.1Å; M37-G43 CarbonylContact C-O 3.59Å; M37-G43 WeakPolarHBondContact CB-O 3.44Å; M37-G43 VanDerWaalsContact O-CA 3.3Å; M37-G43 WeakPolarHBondContact O-CA 3.41Å; M37-G43 PolarHBondContact O-N 2.61Å; M37-L68 HydrophobicContact SD-CD1 3.88Å; M37-L68 HydrophobicContact SD-CD2 4.01Å; M37-L68 HydrophobicContact SD-CG 4.49Å; M37-F70 HydrophobicContact CB-CE1 4.42Å; M37-F70 HydrophobicContact CB-CZ 4.33Å; M37-F70 HydrophobicContact CG-CZ 4.15Å; M37-F70 HydrophobicContact SD-CZ 4.45Å; M37-W79 HydrophobicContact CG-CD2 4.21Å; M37-W79 HydrophobicContact CG-CG 4.47Å; M37-W79 HydrophobicContact CG-CZ2 3.83Å; M37-W79 HydrophobicContact SD-CH2 4.47Å; M37-W79 HydrophobicContact SD-CZ2 3.98Å |
| 38 | K | 94.4 | Very high | 92.7 | Very high | 138 Ų | 138 | 57.2 Ų | 57.2 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.7 | -31.1 | 178.4 | -167 | 170 | -174.3 | 173.2 | 0 | 113.7 | K34 V36 Y40 N42 G43 | K34-K38 PolarHBondContact O-N 2.88Å; V36-K38 PolarHBondContact O-N 3.12Å; K38-Y40 VanDerWaalsContact C-N 3.3Å; K38-N42 WeakPolarHBondContact O-CA 3.17Å; K38-N42 PolarHBondContact O-N 3Å; K38-G43 PolarHBondContact N-O 3.27Å |
| 39 | S | 93.7 | Very high | 92.9 | Very high | 89 Ų | 89 | 54 Ų | 54 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -77.3 | -16.3 | 176.4 | 70 | 0 | 0 | 0 | 0 | 113.4 | S35 V36 M37 | S35-S39 PolarHBondContact O-N 3.2Å; V36-S39 PolarHBondContact O-N 3.44Å; V36-S39 PolarHBondContact O-OG 3.2Å; M37-S39 VanDerWaalsContact C-N 3.25Å; M37-S39 PolarHBondContact O-N 3.47Å |
| 40 | Y | 91.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 28% | 0.278 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 83.3 | 172.7 | -69.3 | -82.4 | 0 | 0 | 0 | 110.1 | V36 M37 K38 N42 G43 F70 R78 W79 S82 | V36-Y40 HydrophobicContact CG1-CD2 4.1Å; V36-Y40 HydrophobicContact CG1-CE2 3.79Å; V36-Y40 VanDerWaalsContact O-CD2 3.27Å; V36-Y40 WeakPolarHBondContact O-CD2 3.23Å; V36-Y40 PolarHBondContact O-N 2.88Å; M37-Y40 CarbonylContact O-C 3.53Å; M37-Y40 PolarHBondContact O-N 3.07Å; M37-Y40 VanDerWaalsContact O-O 3.1Å; K38-Y40 VanDerWaalsContact C-N 3.3Å; Y40-N42 PolarHBondContact O-N 3.13Å; Y40-G43 PolarHBondContact O-N 2.96Å; Y40-F70 WeakPolarHBondContact O-CD1 3.31Å; Y40-R78 HydrophobicContact CD1-CB 3.76Å; Y40-R78 HydrophobicContact CE1-CB 3.89Å; Y40-W79 HydrophobicContact CD1-CB 4.4Å; Y40-W79 HydrophobicContact CD2-CB 3.97Å; Y40-W79 AromaticContact CD2-CD1 3.84Å; Y40-W79 HydrophobicContact CD2-CG 4.32Å; Y40-W79 HydrophobicContact CG-CB 3.83Å; Y40-S82 WeakPolarHBondContact CE2-OG 3.43Å; Y40-S82 VanDerWaalsContact CZ-OG 3.32Å; Y40-S82 WeakPolarHBondContact OH-CB 3.38Å; Y40-S82 PolarHBondContact OH-OG 3.34Å |
| 41 | G | 87.4 | Confident | 92.7 | Very high | 26 Ų | 26 | 62.1 Ų | 62.1 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 49 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G43 D71 | G41-G43 PolarHBondContact O-N 2.71Å; G41-D71 VanDerWaalsContact C-CG 3.47Å; G41-D71 WeakPolarHBondContact O-CB 3.26Å; G41-D71 PolarHBondContact O-N 3.17Å; G41-D71 VanDerWaalsContact O-OD2 3.09Å |
| 42 | N | 93.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.8 | 175.7 | -152.2 | 24.7 | 0 | 0 | 0 | 114.3 | K38 Y40 Q44 D71 | K38-N42 WeakPolarHBondContact O-CA 3.17Å; K38-N42 PolarHBondContact O-N 3Å; Y40-N42 PolarHBondContact O-N 3.13Å; N42-Q44 PolarHBondContact O-N 2.87Å; N42-D71 WeakPolarHBondContact CB-OD2 3.5Å |
| 43 | G | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 54 Ų | 54 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | trans | -54.1 | 133.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M37 K38 Y40 G41 H69 | M37-G43 CarbonylContact C-O 3.59Å; M37-G43 WeakPolarHBondContact CB-O 3.44Å; M37-G43 VanDerWaalsContact O-CA 3.3Å; M37-G43 WeakPolarHBondContact O-CA 3.41Å; M37-G43 PolarHBondContact O-N 2.61Å; K38-G43 PolarHBondContact N-O 3.27Å; Y40-G43 PolarHBondContact O-N 2.96Å; G41-G43 PolarHBondContact O-N 2.71Å; G43-H69 CarbonylContact C-O 3.54Å; G43-H69 VanDerWaalsContact CA-O 3.25Å; G43-H69 WeakPolarHBondContact CA-O 3.48Å | ||
| 44 | Q | 94.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 55.8 Ų | 55.8 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.3 | -177.9 | 64.6 | -178.4 | -20 | 0 | 0 | 112.3 | N42 L68 H69 | N42-Q44 PolarHBondContact O-N 2.87Å; Q44-L68 CarbonylContact O-C 3.6Å; Q44-L68 WeakPolarHBondContact O-CA 3.44Å; Q44-H69 HydrophobicContact CG-CB 3.91Å; Q44-H69 PolarHBondContact N-O 2.96Å; Q44-H69 PolarHBondContact O-N 3.15Å |
| 45 | S | 94.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.2 | 171.3 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | G47 N207 | S45-G47 PolarHBondContact OG-N 2.89Å; S45-N207 WeakPolarHBondContact CB-ND2 3.44Å; S45-N207 WeakPolarHBondContact OG-CB 3.47Å; S45-N207 PolarHBondContact OG-ND2 3.39Å |
| 46 | V | 94.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -38.7 | 160.6 | 174 | 0 | 0 | 0 | 0 | 110 | L13 F67 H69 I106 H206 | L13-V46 HydrophobicContact CD1-CB 4.5Å; L13-V46 HydrophobicContact CD1-CG2 3.82Å; V46-F67 HydrophobicContact CB-CB 3.73Å; V46-F67 HydrophobicContact CG1-CB 4.01Å; V46-F67 PolarHBondContact N-O 3.02Å; V46-H69 HydrophobicContact CG2-CB 3.77Å; V46-I106 HydrophobicContact CG1-CD1 3.62Å; V46-I106 HydrophobicContact CG1-CG1 4.11Å; V46-I106 HydrophobicContact CG2-CD1 4.31Å; V46-I106 HydrophobicContact CG2-CG2 4.38Å; V46-H206 PolarHBondContact O-ND1 3.13Å |
| 47 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.9 | -167.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | S45 F67 K205 | S45-G47 PolarHBondContact OG-N 2.89Å; G47-F67 PolarHBondContact N-O 3.49Å; G47-F67 PolarHBondContact O-N 3.38Å; G47-K205 WeakPolarHBondContact CA-O 3.25Å |
| 48 | F | 95.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 157.1 | 174.4 | 66.3 | -77.7 | 0 | 0 | 0 | 110.7 | C23 F26 N27 E50 V65 K205 N207 | C23-F48 HydrophobicContact CB-CD2 4Å; C23-F48 HydrophobicContact CB-CE2 3.69Å; F26-F48 HydrophobicContact CD1-CB 3.81Å; F26-F48 HydrophobicContact CD1-CD1 4.18Å; F26-F48 HydrophobicContact CD1-CG 4.05Å; F26-F48 HydrophobicContact CE1-CB 3.74Å; F26-F48 HydrophobicContact CE1-CD1 4.39Å; F26-F48 HydrophobicContact CE1-CG 4.35Å; N27-F48 HydrophobicContact CB-CD1 4.48Å; N27-F48 HydrophobicContact CB-CE1 3.83Å; N27-F48 HydrophobicContact CB-CZ 4.17Å; F48-E50 HydrophobicContact CD2-CG 4.27Å; F48-E50 HydrophobicContact CE2-CG 3.52Å; F48-E50 HydrophobicContact CZ-CG 4.24Å; F48-V65 CarbonylContact C-O 3.58Å; F48-V65 WeakPolarHBondContact CA-O 3.43Å; F48-K205 HydrophobicContact CZ-CD 4.31Å; F48-K205 PolarHBondContact N-O 3.4Å; F48-K205 PolarHBondContact O-N 3.37Å; F48-N207 WeakPolarHBondContact CD1-OD1 3.22Å; F48-N207 WeakPolarHBondContact CE1-OD1 3.48Å |
| 49 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | C23 E51 V52 T64 V65 A202 M203 I204 | C23-A49 PolarHBondContact SG-O 3.43Å; A49-E51 VanDerWaalsContact C-N 3.35Å; A49-V52 HydrophobicContact CB-CG2 3.66Å; A49-T64 WeakPolarHBondContact CB-OG1 3.27Å; A49-T64 PolarHBondContact O-OG1 3.03Å; A49-V65 HydrophobicContact CB-CG2 4.04Å; A49-V65 PolarHBondContact N-O 3.36Å; A49-A202 HydrophobicContact CB-CB 3.96Å; A49-M203 WeakPolarHBondContact CA-O 3.47Å; A49-I204 HydrophobicContact CB-CD1 4.37Å |
| 50 | E | 89 | Confident | 91.8 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 40% | 0.397 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -24.4 | 161.4 | -73.1 | -178.8 | 174.1 | 0 | 0 | 110.4 | K20 F48 K205 | K20-E50 WeakPolarHBondContact CD-O 3.48Å; K20-E50 WeakPolarHBondContact CE-O 3.29Å; K20-E50 PolarHBondContact NZ-O 2.9Å; F48-E50 HydrophobicContact CD2-CG 4.27Å; F48-E50 HydrophobicContact CE2-CG 3.52Å; F48-E50 HydrophobicContact CZ-CG 4.24Å; E50-K205 HydrophobicContact CG-CD 4.32Å; E50-K205 VanDerWaalsContact OE1-CD 3.32Å; E50-K205 WeakPolarHBondContact OE1-CD 3.29Å; E50-K205 IonicContact OE1-NZ 2.71Å; E50-K205 PolarHBondContact OE1-NZ 3.07Å; E50-K205 IonicContact OE2-NZ 3.33Å; E50-K205 PolarHBondContact OE2-NZ 3.23Å |
| 51 | E | 92.4 | Very high | 91.5 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.9 | 179.6 | -170.4 | 168.1 | -179.1 | 0 | 0 | 111 | A49 M203 | A49-E51 VanDerWaalsContact C-N 3.35Å; E51-M203 HydrophobicContact CB-CB 4.4Å; E51-M203 HydrophobicContact CB-CE 4.27Å; E51-M203 HydrophobicContact CB-CG 4.43Å; E51-M203 HydrophobicContact CB-SD 3.91Å; E51-M203 HydrophobicContact CG-CE 3.7Å; E51-M203 HydrophobicContact CG-SD 3.98Å; E51-M203 PolarHBondContact O-N 3.33Å |
| 52 | V | 94.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129.2 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | A49 V65 I200 L201 | A49-V52 HydrophobicContact CB-CG2 3.66Å; V52-V65 HydrophobicContact CG2-CG2 4.38Å; V52-I200 HydrophobicContact CG1-CB 3.55Å; V52-I200 HydrophobicContact CG1-CD1 3.64Å; V52-I200 HydrophobicContact CG1-CG1 4.16Å; V52-I200 HydrophobicContact CG1-CG2 3.77Å; V52-L201 CarbonylContact C-O 3.44Å; V52-L201 VanDerWaalsContact CA-O 3.32Å; V52-L201 WeakPolarHBondContact CA-O 3.37Å |
| 53 | V | 94 | Very high | 91.7 | Very high | 42 Ų | 42 | 62 Ų | 62 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 121.2 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L55 I200 L201 M203 | V53-L55 HydrophobicContact CG1-CD2 4.08Å; V53-L55 PolarHBondContact O-N 2.99Å; V53-I200 CarbonylContact O-C 3.5Å; V53-I200 VanDerWaalsContact O-CA 3.29Å; V53-I200 WeakPolarHBondContact O-CA 3.47Å; V53-L201 HydrophobicContact CB-CB 4.34Å; V53-L201 PolarHBondContact N-O 3.37Å; V53-L201 PolarHBondContact O-N 3.35Å; V53-M203 HydrophobicContact CG2-CE 3.6Å |
| 54 | C | 93.5 | Very high | 91.7 | Very high | 63 Ų | 63 | 61.9 Ų | 61.9 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 114.6 | 169.4 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | G57 W59 | C54-G57 PolarHBondContact SG-O 3.04Å; C54-W59 HydrophobicContact CB-CB 4.12Å; C54-W59 VanDerWaalsContact SG-CB 3.53Å |
| 55 | L | 92.5 | Very high | 91.8 | Very high | 44 Ų | 44 | 57.1 Ų | 57.1 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -36.1 | -179.9 | -64.5 | 171.9 | 0 | 0 | 0 | 111.3 | V53 Q113 N179 T199 L201 | V53-L55 HydrophobicContact CG1-CD2 4.08Å; V53-L55 PolarHBondContact O-N 2.99Å; L55-Q113 HydrophobicContact CD1-CG 4.04Å; L55-N179 WeakPolarHBondContact CD1-ND2 3.34Å; L55-N179 HydrophobicContact CD2-CB 4.39Å; L55-T199 HydrophobicContact CB-CG2 4.2Å; L55-T199 HydrophobicContact CD1-CG2 4.08Å; L55-T199 PolarHBondContact N-O 3.49Å; L55-L201 HydrophobicContact CD1-CB 3.92Å; L55-L201 HydrophobicContact CG-CB 4.31Å |
| 56 | D | 89.8 | Confident | 91.9 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 153.4 | 178.8 | -179.1 | 55 | 0 | 0 | 0 | 111.8 | S197 S198 T199 | D56-S197 PolarHBondContact OD2-OG 2.77Å; D56-S198 WeakPolarHBondContact O-CA 3.4Å; D56-T199 PolarHBondContact N-O 2.67Å; D56-T199 VanDerWaalsContact N-O 3.15Å; D56-T199 PolarHBondContact O-N 3.01Å |
| 57 | G | 88.2 | Confident | 92 | Very high | 33 Ų | 33 | 54.5 Ų | 54.5 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 73.2 | -164.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C54 W59 S197 | C54-G57 PolarHBondContact SG-O 3.04Å; G57-W59 PolarHBondContact O-N 3.32Å; G57-S197 WeakPolarHBondContact CA-O 3.49Å |
| 58 | D | 83.1 | Confident | 92 | Very high | 156 Ų | 156 | 54.5 Ų | 54.5 | 83% | 0.834 | 27% | 0.272 | S | S | * | . | trans | -99.4 | 76.8 | -172.1 | -68.8 | -35.8 | 0 | 0 | 0 | 111.5 | ||||
| 59 | W | 87.5 | Confident | 92.1 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | trans | -87.3 | 129.6 | 167.7 | -161.6 | -96.8 | 0 | 0 | 0 | 111.4 | Q17 C54 G57 R61 T63 V65 L116 I200 | Q17-W59 HydrophobicContact CG-CH2 3.85Å; Q17-W59 HydrophobicContact CG-CZ2 3.79Å; C54-W59 HydrophobicContact CB-CB 4.12Å; C54-W59 VanDerWaalsContact SG-CB 3.53Å; G57-W59 PolarHBondContact O-N 3.32Å; W59-R61 PolarHBondContact O-N 2.79Å; W59-T63 HydrophobicContact CZ2-CG2 3.77Å; W59-T63 PolarHBondContact NE1-O 2.88Å; W59-V65 HydrophobicContact CH2-CG1 4.06Å; W59-V65 HydrophobicContact CZ2-CG1 3.89Å; W59-L116 HydrophobicContact CZ3-CD1 3.84Å; W59-I200 HydrophobicContact CB-CG2 3.82Å; W59-I200 HydrophobicContact CD2-CD1 4.44Å; W59-I200 HydrophobicContact CD2-CG2 3.34Å; W59-I200 HydrophobicContact CE3-CG2 3.6Å; W59-I200 HydrophobicContact CG-CG2 3.42Å; W59-I200 VanDerWaalsContact CG-CG2 3.42Å; W59-I200 HydrophobicContact CH2-CD1 3.78Å; W59-I200 HydrophobicContact CZ2-CD1 3.64Å; W59-I200 HydrophobicContact CZ3-CD1 4.24Å; W59-I200 HydrophobicContact CZ3-CG2 4.28Å | ||
| 60 | K | 87.1 | Confident | 92.1 | Very high | 156 Ų | 156 | 55.3 Ų | 55.3 | 68% | 0.678 | 28% | 0.275 | S | S | * | . | trans | -64.1 | 128.7 | 177.4 | -73.8 | 179.4 | -177 | 178.1 | 0 | 110 | N62 T63 | K60-N62 VanDerWaalsContact C-N 3.27Å; K60-N62 PolarHBondContact O-N 3.03Å; K60-N62 VanDerWaalsContact O-N 3.15Å; K60-T63 VanDerWaalsContact CB-OG1 3.23Å; K60-T63 WeakPolarHBondContact CB-OG1 3.28Å; K60-T63 WeakPolarHBondContact O-CB 3.44Å; K60-T63 PolarHBondContact O-N 3.18Å | ||
| 61 | R | 85.1 | Confident | 92.4 | Very high | 256 Ų | 256 | 54.7 Ų | 54.7 | 97% | 0.966 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.9 | -173.4 | -70.3 | -175.2 | 179.9 | -173.4 | -0.3 | 115.2 | W59 | W59-R61 PolarHBondContact O-N 2.79Š|
| 62 | N | 90.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 14.9 | -179.6 | -150.6 | 34.5 | 0 | 0 | 0 | 113.2 | D19 K20 K60 | D19-N62 CarbonylContact C-O 3.56Å; D19-N62 WeakPolarHBondContact CA-O 3.34Å; D19-N62 PolarHBondContact OD1-ND2 2.76Å; D19-N62 PolarHBondContact OD2-ND2 2.87Å; K20-N62 PolarHBondContact N-O 3.11Å; K60-N62 VanDerWaalsContact C-N 3.27Å; K60-N62 PolarHBondContact O-N 3.03Å; K60-N62 VanDerWaalsContact O-N 3.15Å |
| 63 | T | 93.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.2 | -176.4 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | Q17 F18 W59 K60 | Q17-T63 HydrophobicContact CG-CG2 3.21Å; F18-T63 WeakPolarHBondContact O-CA 3.33Å; W59-T63 HydrophobicContact CZ2-CG2 3.77Å; W59-T63 PolarHBondContact NE1-O 2.88Å; K60-T63 VanDerWaalsContact CB-OG1 3.23Å; K60-T63 WeakPolarHBondContact CB-OG1 3.28Å; K60-T63 WeakPolarHBondContact O-CB 3.44Å; K60-T63 PolarHBondContact O-N 3.18Å |
| 64 | T | 95.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 178.8 | 176.7 | -161 | 0 | 0 | 0 | 0 | 111.6 | Q17 F18 K20 A49 | Q17-T64 WeakPolarHBondContact CA-O 3.42Å; F18-T64 HydrophobicContact CD2-CG2 3.9Å; F18-T64 HydrophobicContact CE1-CG2 4.25Å; F18-T64 HydrophobicContact CE2-CG2 3.46Å; F18-T64 VanDerWaalsContact CE2-CG2 3.46Å; F18-T64 HydrophobicContact CG-CG2 4.43Å; F18-T64 HydrophobicContact CZ-CG2 3.66Å; F18-T64 PolarHBondContact N-O 2.9Å; F18-T64 VanDerWaalsContact N-O 3.07Å; F18-T64 PolarHBondContact O-N 3.4Å; K20-T64 HydrophobicContact CB-CG2 4.43Å; A49-T64 WeakPolarHBondContact CB-OG1 3.27Å; A49-T64 PolarHBondContact O-OG1 3.03Å |
| 65 | V | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.8 | -178.7 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | I15 F16 Q17 F48 A49 V52 W59 F67 L114 I200 A202 | I15-V65 HydrophobicContact CG2-CG1 4.49Å; F16-V65 CarbonylContact O-C 3.43Å; F16-V65 WeakPolarHBondContact O-CA 3.39Å; Q17-V65 HydrophobicContact CB-CG1 4.45Å; F48-V65 CarbonylContact C-O 3.58Å; F48-V65 WeakPolarHBondContact CA-O 3.43Å; A49-V65 HydrophobicContact CB-CG2 4.04Å; A49-V65 PolarHBondContact N-O 3.36Å; V52-V65 HydrophobicContact CG2-CG2 4.38Å; W59-V65 HydrophobicContact CH2-CG1 4.06Å; W59-V65 HydrophobicContact CZ2-CG1 3.89Å; V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 3.83Å; V65-F67 HydrophobicContact CG2-CE2 3.51Å; V65-F67 HydrophobicContact CG2-CZ 3.57Å; V65-L114 HydrophobicContact CG1-CD2 4.37Å; V65-I200 HydrophobicContact CG1-CD1 4.01Å; V65-I200 HydrophobicContact CG2-CD1 4.06Å; V65-A202 HydrophobicContact CG2-CB 3.57Å |
| 66 | G | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I15 F16 | I15-G66 CarbonylContact C-O 3.59Å; I15-G66 WeakPolarHBondContact CA-O 3.24Å; F16-G66 PolarHBondContact N-O 2.9Å; F16-G66 PolarHBondContact O-N 2.92Å |
| 67 | F | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 126.8 | -170.3 | -59.3 | -80.9 | 0 | 0 | 0 | 111.7 | L13 V14 I15 V46 G47 V65 L112 L114 A202 I204 | L13-F67 HydrophobicContact CD1-CB 4.24Å; L13-F67 HydrophobicContact CD2-CD1 3.49Å; L13-F67 VanDerWaalsContact CD2-CD1 3.49Å; L13-F67 HydrophobicContact CD2-CE1 4.05Å; L13-F67 HydrophobicContact CD2-CG 4.41Å; L13-F67 HydrophobicContact CG-CD1 4.02Å; V14-F67 WeakPolarHBondContact O-CA 3.12Å; I15-F67 HydrophobicContact CB-CE1 4.42Å; I15-F67 HydrophobicContact CD1-CE1 4.45Å; I15-F67 HydrophobicContact CG1-CD1 4Å; I15-F67 HydrophobicContact CG1-CE1 3.97Å; I15-F67 HydrophobicContact CG2-CD1 4.35Å; I15-F67 HydrophobicContact CG2-CE1 3.88Å; V46-F67 HydrophobicContact CB-CB 3.73Å; V46-F67 HydrophobicContact CG1-CB 4.01Å; V46-F67 PolarHBondContact N-O 3.02Å; G47-F67 PolarHBondContact N-O 3.49Å; G47-F67 PolarHBondContact O-N 3.38Å; V65-F67 HydrophobicContact CB-CE2 3.91Å; V65-F67 HydrophobicContact CB-CZ 3.83Å; V65-F67 HydrophobicContact CG2-CE2 3.51Å; V65-F67 HydrophobicContact CG2-CZ 3.57Å; F67-L112 HydrophobicContact CD1-CD1 4.43Å; F67-L112 HydrophobicContact CD2-CD1 4.14Å; F67-L112 HydrophobicContact CE1-CD1 4.37Å; F67-L112 HydrophobicContact CE2-CD1 4.12Å; F67-L112 HydrophobicContact CG-CD1 4.29Å; F67-L112 HydrophobicContact CZ-CD1 4.22Å; F67-L114 HydrophobicContact CE1-CD1 3.93Å; F67-L114 HydrophobicContact CE1-CD2 3.86Å; F67-L114 HydrophobicContact CE1-CG 4.41Å; F67-L114 HydrophobicContact CZ-CD1 3.6Å; F67-L114 HydrophobicContact CZ-CD2 3.82Å; F67-L114 HydrophobicContact CZ-CG 4.35Å; F67-A202 HydrophobicContact CE2-CB 4.33Å; F67-I204 HydrophobicContact CD2-CD1 3.61Å; F67-I204 HydrophobicContact CE2-CD1 3.34Å; F67-I204 HydrophobicContact CZ-CD1 4.43Å |
| 68 | L | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 144.4 | 169.9 | -54.1 | 176.8 | 0 | 0 | 0 | 109.6 | L13 V14 F16 F26 V30 M37 Q44 F70 W79 | L13-L68 CarbonylContact C-O 3.56Å; L13-L68 WeakPolarHBondContact CA-O 3.44Å; V14-L68 HydrophobicContact CB-CB 4.25Å; V14-L68 PolarHBondContact N-O 3.18Å; V14-L68 PolarHBondContact O-N 2.96Å; F16-L68 HydrophobicContact CE2-CB 4.41Å; F16-L68 HydrophobicContact CE2-CD1 3.55Å; F16-L68 HydrophobicContact CE2-CG 3.73Å; F16-L68 HydrophobicContact CZ-CD1 3.79Å; F16-L68 HydrophobicContact CZ-CG 4.47Å; F26-L68 HydrophobicContact CZ-CD2 4.47Å; V30-L68 HydrophobicContact CG1-CD2 3.82Å; V30-L68 HydrophobicContact CG2-CD2 4Å; M37-L68 HydrophobicContact SD-CD1 3.88Å; M37-L68 HydrophobicContact SD-CD2 4.01Å; M37-L68 HydrophobicContact SD-CG 4.49Å; Q44-L68 CarbonylContact O-C 3.6Å; Q44-L68 WeakPolarHBondContact O-CA 3.44Å; L68-F70 HydrophobicContact CB-CD2 4.33Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CD1-CE2 4.24Å; L68-W79 HydrophobicContact CD1-CH2 3.32Å; L68-W79 HydrophobicContact CD1-CZ2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 3.54Å |
| 69 | H | 96.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 11% | 0.106 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.7 | 176.4 | 166.3 | -76.6 | 0 | 0 | 0 | 109.8 | V12 G43 Q44 V46 D71 | V12-H69 WeakPolarHBondContact O-CA 3.13Å; G43-H69 CarbonylContact C-O 3.54Å; G43-H69 VanDerWaalsContact CA-O 3.25Å; G43-H69 WeakPolarHBondContact CA-O 3.48Å; Q44-H69 HydrophobicContact CG-CB 3.91Å; Q44-H69 PolarHBondContact N-O 2.96Å; Q44-H69 PolarHBondContact O-N 3.15Å; V46-H69 HydrophobicContact CG2-CB 3.77Å; H69-D71 IonicContact CE1-OD1 2.7Å |
| 70 | F | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.7 | 173 | -72.4 | -96.6 | 0 | 0 | 0 | 110.6 | A11 V12 V14 M37 Y40 L68 S72 A75 A76 W79 | A11-F70 CarbonylContact C-O 3.59Å; A11-F70 WeakPolarHBondContact CA-O 3.24Å; V12-F70 HydrophobicContact CG2-CB 3.87Å; V12-F70 PolarHBondContact N-O 3.49Å; V12-F70 PolarHBondContact O-N 3.09Å; V14-F70 HydrophobicContact CG2-CD2 3.66Å; V14-F70 HydrophobicContact CG2-CE2 3.91Å; M37-F70 HydrophobicContact CB-CE1 4.42Å; M37-F70 HydrophobicContact CB-CZ 4.33Å; M37-F70 HydrophobicContact CG-CZ 4.15Å; M37-F70 HydrophobicContact SD-CZ 4.45Å; Y40-F70 WeakPolarHBondContact O-CD1 3.31Å; L68-F70 HydrophobicContact CB-CD2 4.33Å; L68-F70 HydrophobicContact CB-CE2 3.76Å; L68-F70 HydrophobicContact CD1-CE2 4.24Å; F70-S72 PolarHBondContact O-N 2.86Å; F70-S72 VanDerWaalsContact O-N 3.16Å; F70-A75 HydrophobicContact CD1-CB 4.42Å; F70-A76 HydrophobicContact CB-CB 3.99Å; F70-A76 HydrophobicContact CD1-CB 4.36Å; F70-A76 HydrophobicContact CD2-CB 3.84Å; F70-A76 HydrophobicContact CE2-CB 4.43Å; F70-A76 HydrophobicContact CG-CB 3.8Å; F70-W79 HydrophobicContact CE1-CB 3.84Å; F70-W79 HydrophobicContact CE1-CD2 4.19Å; F70-W79 HydrophobicContact CE1-CE3 4.36Å; F70-W79 AromaticContact CE1-CG 3.95Å; F70-W79 HydrophobicContact CE1-CG 3.95Å; F70-W79 HydrophobicContact CE2-CD2 4.48Å; F70-W79 AromaticContact CE2-CE3 3.95Å; F70-W79 HydrophobicContact CE2-CE3 3.95Å; F70-W79 HydrophobicContact CE2-CZ3 4.31Å; F70-W79 HydrophobicContact CZ-CB 4.09Å; F70-W79 AromaticContact CZ-CD2 3.57Å; F70-W79 HydrophobicContact CZ-CD2 3.57Å; F70-W79 AromaticContact CZ-CE3 3.46Å; F70-W79 HydrophobicContact CZ-CE3 3.46Å; F70-W79 VanDerWaalsContact CZ-CE3 3.46Å; F70-W79 AromaticContact CZ-CG 3.83Å; F70-W79 HydrophobicContact CZ-CG 3.83Å; F70-W79 HydrophobicContact CZ-CZ3 4.14Å |
| 71 | D | 95.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -65.4 | -18.4 | 179.6 | -63.8 | -18.3 | 0 | 0 | 0 | 113.4 | G41 N42 H69 | G41-D71 VanDerWaalsContact C-CG 3.47Å; G41-D71 WeakPolarHBondContact O-CB 3.26Å; G41-D71 PolarHBondContact O-N 3.17Å; G41-D71 VanDerWaalsContact O-OD2 3.09Å; N42-D71 WeakPolarHBondContact CB-OD2 3.5Å; H69-D71 IonicContact CE1-OD1 2.7Å |
| 72 | S | 95.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | trans | -161.9 | 159 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | T9 F70 M74 A75 A76 | T9-S72 VanDerWaalsContact OG1-CB 3.25Å; T9-S72 WeakPolarHBondContact OG1-CB 3.42Å; F70-S72 PolarHBondContact O-N 2.86Å; F70-S72 VanDerWaalsContact O-N 3.16Å; S72-M74 VanDerWaalsContact C-N 3.27Å; S72-M74 PolarHBondContact O-N 3.02Å; S72-A75 PolarHBondContact O-N 2.96Å; S72-A75 VanDerWaalsContact O-N 3.17Å; S72-A75 WeakPolarHBondContact OG-CB 3.46Å; S72-A75 PolarHBondContact OG-N 3.34Å; S72-A75 VanDerWaalsContact OG-N 3.16Å; S72-A76 PolarHBondContact O-N 2.93Å; S72-A76 VanDerWaalsContact O-N 3.08Å | ||
| 73 | A | 95.7 | Very high | 93.5 | Very high | 22 Ų | 22 | 31 Ų | 31 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -55.7 | -42.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | V12 A75 A76 Q77 I99 | V12-A73 HydrophobicContact CG1-CB 4.05Å; A73-A75 VanDerWaalsContact C-N 3.33Å; A73-A75 PolarHBondContact O-N 2.95Å; A73-A76 PolarHBondContact O-N 2.8Å; A73-Q77 WeakPolarHBondContact O-CB 3.43Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.27Å; A73-Q77 PolarHBondContact O-N 3.24Å; A73-I99 HydrophobicContact CB-CG2 4.24Å |
| 74 | M | 95.1 | Very high | 92.7 | Very high | 91 Ų | 91 | 34.3 Ų | 34.3 | 45% | 0.448 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 178.4 | -175 | -178.4 | 61.9 | 0 | 0 | 112.3 | S72 R78 | S72-M74 VanDerWaalsContact C-N 3.27Å; S72-M74 PolarHBondContact O-N 3.02Å; M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 VanDerWaalsContact O-CG 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.35Å; M74-R78 PolarHBondContact O-N 2.95Å; M74-R78 PolarHBondContact SD-NH2 2.9Å |
| 75 | A | 95.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.4 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F70 S72 A73 Q77 R78 W79 | F70-A75 HydrophobicContact CD1-CB 4.42Å; S72-A75 PolarHBondContact O-N 2.96Å; S72-A75 VanDerWaalsContact O-N 3.17Å; S72-A75 WeakPolarHBondContact OG-CB 3.46Å; S72-A75 PolarHBondContact OG-N 3.34Å; S72-A75 VanDerWaalsContact OG-N 3.16Å; A73-A75 VanDerWaalsContact C-N 3.33Å; A73-A75 PolarHBondContact O-N 2.95Å; A75-Q77 PolarHBondContact O-N 3.24Å; A75-R78 PolarHBondContact O-N 3.36Å; A75-W79 PolarHBondContact O-N 2.89Å |
| 76 | A | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V12 V14 F70 S72 A73 R78 W79 L80 I99 | V12-A76 HydrophobicContact CG2-CB 4.07Å; V14-A76 HydrophobicContact CG2-CB 3.64Å; F70-A76 HydrophobicContact CB-CB 3.99Å; F70-A76 HydrophobicContact CD1-CB 4.36Å; F70-A76 HydrophobicContact CD2-CB 3.84Å; F70-A76 HydrophobicContact CE2-CB 4.43Å; F70-A76 HydrophobicContact CG-CB 3.8Å; S72-A76 PolarHBondContact O-N 2.93Å; S72-A76 VanDerWaalsContact O-N 3.08Å; A73-A76 PolarHBondContact O-N 2.8Å; A76-R78 PolarHBondContact O-N 2.83Å; A76-W79 PolarHBondContact O-N 3.25Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.08Å; A76-I99 HydrophobicContact CB-CD1 4.06Å |
| 77 | Q | 94.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.9 | -74.2 | -179.9 | -11.6 | 0 | 0 | 112.5 | A73 A75 W79 L80 I81 I99 E153 | A73-Q77 WeakPolarHBondContact O-CB 3.43Å; A73-Q77 VanDerWaalsContact O-CG 3.31Å; A73-Q77 WeakPolarHBondContact O-CG 3.27Å; A73-Q77 PolarHBondContact O-N 3.24Å; A75-Q77 PolarHBondContact O-N 3.24Å; Q77-W79 VanDerWaalsContact C-N 3.29Å; Q77-W79 PolarHBondContact O-N 3.07Å; Q77-L80 PolarHBondContact O-N 3.4Å; Q77-I81 WeakPolarHBondContact O-CD1 3.36Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.45Å; Q77-I81 PolarHBondContact O-N 3.43Å; Q77-I99 HydrophobicContact CG-CD1 3.87Å; Q77-E153 PolarHBondContact NE2-OE2 3.49Å |
| 78 | R | 93.4 | Very high | 89.1 | Confident | 145 Ų | 145 | 49 Ų | 49 | 55% | 0.547 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -43 | 177.3 | -75.9 | 176.7 | -176.5 | -177.8 | 3.3 | 111 | Y40 M74 A75 A76 I81 S82 | Y40-R78 HydrophobicContact CD1-CB 3.76Å; Y40-R78 HydrophobicContact CE1-CB 3.89Å; M74-R78 WeakPolarHBondContact O-CB 3.47Å; M74-R78 VanDerWaalsContact O-CG 3.27Å; M74-R78 WeakPolarHBondContact O-CG 3.35Å; M74-R78 PolarHBondContact O-N 2.95Å; M74-R78 PolarHBondContact SD-NH2 2.9Å; A75-R78 PolarHBondContact O-N 3.36Å; A76-R78 PolarHBondContact O-N 2.83Å; R78-I81 PolarHBondContact O-N 2.88Å; R78-S82 WeakPolarHBondContact O-CB 3.33Å; R78-S82 PolarHBondContact O-N 2.87Å; R78-S82 PolarHBondContact O-OG 2.86Å |
| 79 | W | 93.6 | Very high | 88 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 175.7 | 173 | 71.8 | 0 | 0 | 0 | 111.6 | F16 M37 Y40 L68 F70 A75 A76 Q77 I81 S82 D83 V86 | F16-W79 HydrophobicContact CZ-CH2 4.27Å; F16-W79 HydrophobicContact CZ-CZ3 4.06Å; M37-W79 HydrophobicContact CG-CD2 4.21Å; M37-W79 HydrophobicContact CG-CG 4.47Å; M37-W79 HydrophobicContact CG-CZ2 3.83Å; M37-W79 HydrophobicContact SD-CH2 4.47Å; M37-W79 HydrophobicContact SD-CZ2 3.98Å; Y40-W79 HydrophobicContact CD1-CB 4.4Å; Y40-W79 HydrophobicContact CD2-CB 3.97Å; Y40-W79 AromaticContact CD2-CD1 3.84Å; Y40-W79 HydrophobicContact CD2-CG 4.32Å; Y40-W79 HydrophobicContact CG-CB 3.83Å; L68-W79 HydrophobicContact CD1-CH2 3.32Å; L68-W79 HydrophobicContact CD1-CZ2 4.17Å; L68-W79 HydrophobicContact CD1-CZ3 3.54Å; F70-W79 HydrophobicContact CE1-CB 3.84Å; F70-W79 HydrophobicContact CE1-CD2 4.19Å; F70-W79 HydrophobicContact CE1-CE3 4.36Å; F70-W79 AromaticContact CE1-CG 3.95Å; F70-W79 HydrophobicContact CE1-CG 3.95Å; F70-W79 HydrophobicContact CE2-CD2 4.48Å; F70-W79 AromaticContact CE2-CE3 3.95Å; F70-W79 HydrophobicContact CE2-CE3 3.95Å; F70-W79 HydrophobicContact CE2-CZ3 4.31Å; F70-W79 HydrophobicContact CZ-CB 4.09Å; F70-W79 AromaticContact CZ-CD2 3.57Å; F70-W79 HydrophobicContact CZ-CD2 3.57Å; F70-W79 AromaticContact CZ-CE3 3.46Å; F70-W79 HydrophobicContact CZ-CE3 3.46Å; F70-W79 VanDerWaalsContact CZ-CE3 3.46Å; F70-W79 AromaticContact CZ-CG 3.83Å; F70-W79 HydrophobicContact CZ-CG 3.83Å; F70-W79 HydrophobicContact CZ-CZ3 4.14Å; A75-W79 PolarHBondContact O-N 2.89Å; A76-W79 PolarHBondContact O-N 3.25Å; Q77-W79 VanDerWaalsContact C-N 3.29Å; Q77-W79 PolarHBondContact O-N 3.07Å; W79-I81 VanDerWaalsContact C-N 3.25Å; W79-I81 PolarHBondContact O-N 3.15Å; W79-S82 WeakPolarHBondContact CA-OG 3.44Å; W79-S82 PolarHBondContact O-N 3.04Å; W79-S82 PolarHBondContact O-OG 3.02Å; W79-D83 PolarHBondContact O-N 3.43Å; W79-V86 HydrophobicContact CH2-CG1 4.29Å; W79-V86 HydrophobicContact CH2-CG2 3.98Å; W79-V86 HydrophobicContact CZ2-CG2 4.04Å; W79-V86 HydrophobicContact CZ3-CG1 4.48Å |
| 80 | L | 92.2 | Very high | 87.2 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -53.6 | -39.3 | 178.7 | -74.9 | 171.6 | 0 | 0 | 0 | 113 | F16 A76 Q77 V86 I97 I99 P155 | F16-L80 HydrophobicContact CE1-CD2 4.43Å; F16-L80 HydrophobicContact CZ-CD2 4.31Å; A76-L80 WeakPolarHBondContact O-CG 3.48Å; A76-L80 PolarHBondContact O-N 3.08Å; Q77-L80 PolarHBondContact O-N 3.4Å; L80-V86 HydrophobicContact CD2-CG1 3.61Å; L80-I97 HydrophobicContact CD1-CG2 4.25Å; L80-I97 HydrophobicContact CD2-CD1 4.31Å; L80-I97 HydrophobicContact CD2-CG2 4.49Å; L80-I99 HydrophobicContact CD1-CD1 3.99Å; L80-P155 HydrophobicContact CD1-CB 4.04Å; L80-P155 HydrophobicContact CD1-CG 3.86Å |
| 81 | I | 88.2 | Confident | 86.6 | Confident | 109 Ų | 109 | 60.4 Ų | 60.4 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -79.9 | -30.5 | -179.6 | -64.3 | 164.4 | 0 | 0 | 0 | 111.9 | Q77 R78 W79 R87 | Q77-I81 WeakPolarHBondContact O-CD1 3.36Å; Q77-I81 VanDerWaalsContact O-CG1 3.31Å; Q77-I81 WeakPolarHBondContact O-CG1 3.45Å; Q77-I81 PolarHBondContact O-N 3.43Å; R78-I81 PolarHBondContact O-N 2.88Å; W79-I81 VanDerWaalsContact C-N 3.25Å; W79-I81 PolarHBondContact O-N 3.15Å; I81-R87 WeakPolarHBondContact O-CD 3.43Å |
| 82 | S | 85.5 | Confident | 86.3 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.4 | -30.7 | -177.4 | 73.6 | 0 | 0 | 0 | 0 | 113.4 | Y40 R78 W79 | Y40-S82 WeakPolarHBondContact CE2-OG 3.43Å; Y40-S82 VanDerWaalsContact CZ-OG 3.32Å; Y40-S82 WeakPolarHBondContact OH-CB 3.38Å; Y40-S82 PolarHBondContact OH-OG 3.34Å; R78-S82 WeakPolarHBondContact O-CB 3.33Å; R78-S82 PolarHBondContact O-N 2.87Å; R78-S82 PolarHBondContact O-OG 2.86Å; W79-S82 WeakPolarHBondContact CA-OG 3.44Å; W79-S82 PolarHBondContact O-N 3.04Å; W79-S82 PolarHBondContact O-OG 3.02Å |
| 83 | D | 77.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -78.3 | 122.9 | -171.6 | -173.1 | -85 | 0 | 0 | 0 | 111.5 | Q33 W79 I85 V86 R87 | Q33-D83 VanDerWaalsContact CG-OD2 3.25Å; Q33-D83 WeakPolarHBondContact CG-OD2 3.46Å; Q33-D83 PolarHBondContact NE2-OD2 3.3Å; Q33-D83 PolarHBondContact OE1-OD2 3.42Å; W79-D83 PolarHBondContact O-N 3.43Å; D83-I85 VanDerWaalsContact C-N 3.25Å; D83-I85 PolarHBondContact O-N 2.85Å; D83-I85 WeakPolarHBondContact OD1-CA 3.46Å; D83-I85 WeakPolarHBondContact OD1-CB 3.44Å; D83-I85 PolarHBondContact OD1-N 3.48Å; D83-V86 HydrophobicContact CB-CB 4Å; D83-V86 HydrophobicContact CB-CG2 4.24Å; D83-V86 WeakPolarHBondContact OD1-CG2 3.35Å; D83-V86 PolarHBondContact OD1-N 2.83Å; D83-R87 WeakPolarHBondContact O-CB 3.49Å; D83-R87 PolarHBondContact O-N 2.76Å | ||
| 84 | P | 75.9 | Confident | 85.2 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.1 | -174.9 | 28.5 | -35.2 | 0 | 0 | 0 | 113.9 | Q88 | P84-Q88 VanDerWaalsContact O-CG 3.29Å; P84-Q88 WeakPolarHBondContact O-CG 3.36Å; P84-Q88 PolarHBondContact O-NE2 2.9Å |
| 85 | I | 78.2 | Confident | 85 | Confident | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.256 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -54.6 | 179.5 | -58.5 | 175.9 | 0 | 0 | 0 | 109 | D83 R87 Q88 W91 | D83-I85 VanDerWaalsContact C-N 3.25Å; D83-I85 PolarHBondContact O-N 2.85Å; D83-I85 WeakPolarHBondContact OD1-CA 3.46Å; D83-I85 WeakPolarHBondContact OD1-CB 3.44Å; D83-I85 PolarHBondContact OD1-N 3.48Å; I85-R87 PolarHBondContact O-N 3.5Å; I85-Q88 VanDerWaalsContact O-CB 3.27Å; I85-Q88 WeakPolarHBondContact O-CB 3.37Å; I85-Q88 PolarHBondContact O-N 3.21Å; I85-W91 HydrophobicContact CG2-CG 3.97Å; I85-W91 VanDerWaalsContact O-CB 3.22Å; I85-W91 WeakPolarHBondContact O-CB 3.4Å |
| 86 | V | 76.8 | Confident | 84.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32.5 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | W79 L80 D83 Q88 W91 R156 | W79-V86 HydrophobicContact CH2-CG1 4.29Å; W79-V86 HydrophobicContact CH2-CG2 3.98Å; W79-V86 HydrophobicContact CZ2-CG2 4.04Å; W79-V86 HydrophobicContact CZ3-CG1 4.48Å; L80-V86 HydrophobicContact CD2-CG1 3.61Å; D83-V86 HydrophobicContact CB-CB 4Å; D83-V86 HydrophobicContact CB-CG2 4.24Å; D83-V86 WeakPolarHBondContact OD1-CG2 3.35Å; D83-V86 PolarHBondContact OD1-N 2.83Å; V86-Q88 VanDerWaalsContact C-N 3.26Å; V86-Q88 PolarHBondContact O-N 3.39Å; V86-W91 HydrophobicContact CB-CE3 4.15Å; V86-W91 HydrophobicContact CB-CH2 4.48Å; V86-W91 HydrophobicContact CB-CZ3 4.12Å; V86-W91 HydrophobicContact CG1-CE3 3.98Å; V86-W91 HydrophobicContact CG1-CH2 4.23Å; V86-W91 HydrophobicContact CG1-CZ3 3.64Å; V86-W91 HydrophobicContact CG2-CD2 4.39Å; V86-W91 HydrophobicContact CG2-CE3 4.24Å; V86-W91 HydrophobicContact CG2-CH2 3.82Å; V86-W91 HydrophobicContact CG2-CZ2 4Å; V86-W91 HydrophobicContact CG2-CZ3 3.97Å; V86-R156 PolarHBondContact O-NH2 3.39Å |
| 87 | R | 74.9 | Confident | 84.8 | Confident | 160 Ų | 160 | 63.4 Ų | 63.4 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.5 | 175 | -177.9 | 174.1 | 173.7 | 175.4 | -1.6 | 113.6 | I81 D83 I85 H89 R156 | I81-R87 WeakPolarHBondContact O-CD 3.43Å; D83-R87 WeakPolarHBondContact O-CB 3.49Å; D83-R87 PolarHBondContact O-N 2.76Å; I85-R87 PolarHBondContact O-N 3.5Å; R87-H89 PolarHBondContact O-N 2.9Å; R87-R156 PolarHBondContact O-NH2 3.41Å |
| 88 | Q | 78.4 | Confident | 84.9 | Confident | 99 Ų | 99 | 59.8 Ų | 59.8 | 46% | 0.463 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -65.3 | 132.1 | 178.6 | -70.2 | 174.2 | -8.5 | 0 | 0 | 109.9 | P84 I85 V86 D90 W91 R156 | P84-Q88 VanDerWaalsContact O-CG 3.29Å; P84-Q88 WeakPolarHBondContact O-CG 3.36Å; P84-Q88 PolarHBondContact O-NE2 2.9Å; I85-Q88 VanDerWaalsContact O-CB 3.27Å; I85-Q88 WeakPolarHBondContact O-CB 3.37Å; I85-Q88 PolarHBondContact O-N 3.21Å; V86-Q88 VanDerWaalsContact C-N 3.26Å; V86-Q88 PolarHBondContact O-N 3.39Å; Q88-D90 VanDerWaalsContact C-N 3.32Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.19Å; Q88-D90 PolarHBondContact O-N 3.42Å; Q88-W91 HydrophobicContact CB-CB 4.25Å; Q88-W91 WeakPolarHBondContact O-CB 3.29Å; Q88-W91 PolarHBondContact O-N 2.88Å; Q88-R156 PolarHBondContact O-NH1 2.9Å; Q88-R156 PolarHBondContact O-NH2 3Å |
| 89 | H | 73.2 | Confident | 85.1 | Confident | 134 Ų | 134 | 53 Ų | 53 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -39.5 | -178 | -75.7 | -79.7 | 0 | 0 | 0 | 111.4 | R87 W91 D94 R156 | R87-H89 PolarHBondContact O-N 2.9Å; H89-W91 PolarHBondContact O-N 2.9Å; H89-D94 PolarHBondContact O-N 3.44Å; H89-D94 VanDerWaalsContact O-OD1 3.05Å; H89-R156 PolarHBondContact O-NH1 2.68Å |
| 90 | D | 80.6 | Confident | 85.2 | Confident | 112 Ų | 112 | 52.9 Ų | 52.9 | 60% | 0.599 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.9 | 176.2 | 60 | -42.9 | 0 | 0 | 0 | 114 | Q88 L92 D93 | Q88-D90 VanDerWaalsContact C-N 3.32Å; Q88-D90 WeakPolarHBondContact CB-OD1 3.19Å; Q88-D90 PolarHBondContact O-N 3.42Å; D90-L92 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact O-N 3.16Å; D90-D93 PolarHBondContact O-N 3.05Å; D90-D93 VanDerWaalsContact O-N 3.15Å |
| 91 | W | 83.5 | Confident | 85.5 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 6% | 0.057 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 119.5 | 171.5 | -179.5 | 70.1 | 0 | 0 | 0 | 110.1 | F16 F26 S29 I85 V86 Q88 H89 R156 | F16-W91 HydrophobicContact CD1-CH2 4.09Å; F16-W91 AromaticContact CD1-CZ3 3.91Å; F16-W91 HydrophobicContact CD1-CZ3 3.91Å; F16-W91 AromaticContact CE1-CH2 3.88Å; F16-W91 HydrophobicContact CE1-CH2 3.88Å; F16-W91 AromaticContact CE1-CZ3 3.69Å; F16-W91 HydrophobicContact CE1-CZ3 3.69Å; F26-W91 HydrophobicContact CD2-CH2 4.19Å; F26-W91 HydrophobicContact CD2-CZ2 4.35Å; F26-W91 HydrophobicContact CE2-CH2 4.46Å; S29-W91 PolarHBondContact OG-NE1 2.79Å; I85-W91 HydrophobicContact CG2-CG 3.97Å; I85-W91 VanDerWaalsContact O-CB 3.22Å; I85-W91 WeakPolarHBondContact O-CB 3.4Å; V86-W91 HydrophobicContact CB-CE3 4.15Å; V86-W91 HydrophobicContact CB-CH2 4.48Å; V86-W91 HydrophobicContact CB-CZ3 4.12Å; V86-W91 HydrophobicContact CG1-CE3 3.98Å; V86-W91 HydrophobicContact CG1-CH2 4.23Å; V86-W91 HydrophobicContact CG1-CZ3 3.64Å; V86-W91 HydrophobicContact CG2-CD2 4.39Å; V86-W91 HydrophobicContact CG2-CE3 4.24Å; V86-W91 HydrophobicContact CG2-CH2 3.82Å; V86-W91 HydrophobicContact CG2-CZ2 4Å; V86-W91 HydrophobicContact CG2-CZ3 3.97Å; Q88-W91 HydrophobicContact CB-CB 4.25Å; Q88-W91 WeakPolarHBondContact O-CB 3.29Å; Q88-W91 PolarHBondContact O-N 2.88Å; H89-W91 PolarHBondContact O-N 2.9Å; W91-R156 PolarHBondContact O-NH1 2.91Å |
| 92 | L | 87.5 | Confident | 85.9 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 33 | -172.4 | -55.8 | 174.9 | 0 | 0 | 0 | 114.8 | F18 L22 T25 F26 D90 D94 A95 | F18-L92 HydrophobicContact CB-CB 4.07Å; F18-L92 HydrophobicContact CB-CD1 4.32Å; F18-L92 HydrophobicContact CD1-CD1 4.1Å; F18-L92 HydrophobicContact CD2-CD2 4.3Å; F18-L92 HydrophobicContact CG-CD1 4.08Å; L22-L92 HydrophobicContact CB-CD2 3.76Å; L22-L92 VanDerWaalsContact CD1-C 3.49Å; L22-L92 HydrophobicContact CD1-CB 4.3Å; L22-L92 HydrophobicContact CD1-CD2 4.46Å; T25-L92 HydrophobicContact CG2-CD2 4.17Å; F26-L92 HydrophobicContact CB-CD1 4.46Å; F26-L92 HydrophobicContact CB-CD2 4.1Å; F26-L92 HydrophobicContact CD2-CD1 3.85Å; D90-L92 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact O-N 3.16Å; L92-D94 PolarHBondContact O-N 3Å; L92-A95 HydrophobicContact CB-CB 3.69Å; L92-A95 HydrophobicContact CD1-CB 4.21Å; L92-A95 PolarHBondContact O-N 3.13Å |
| 93 | D | 85.8 | Confident | 86.2 | Confident | 118 Ų | 118 | 50.7 Ų | 50.7 | 63% | 0.631 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 52.8 | 175.6 | -62.6 | -17.9 | 0 | 0 | 0 | 113 | L22 D90 | L22-D93 HydrophobicContact CD1-CB 3.93Å; L22-D93 WeakPolarHBondContact CD1-OD2 3.43Å; D90-D93 PolarHBondContact O-N 3.05Å; D90-D93 VanDerWaalsContact O-N 3.15Å |
| 94 | D | 83 | Confident | 86.9 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 45.5 | -178.3 | -63.3 | -57.2 | 0 | 0 | 0 | 114.1 | H89 L92 | H89-D94 PolarHBondContact O-N 3.44Å; H89-D94 VanDerWaalsContact O-OD1 3.05Å; L92-D94 PolarHBondContact O-N 3Å |
| 95 | A | 91 | Very high | 87.6 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | trans | -50.1 | 142.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q17 F18 L92 R156 | Q17-A95 CarbonylContact O-C 3.56Å; Q17-A95 WeakPolarHBondContact O-CA 3.5Å; Q17-A95 WeakPolarHBondContact O-CB 3.46Å; F18-A95 HydrophobicContact CB-CB 3.75Å; L92-A95 HydrophobicContact CB-CB 3.69Å; L92-A95 HydrophobicContact CD1-CB 4.21Å; L92-A95 PolarHBondContact O-N 3.13Å; A95-R156 WeakPolarHBondContact O-CD 3.45Å; A95-R156 VanDerWaalsContact O-CG 3.26Å; A95-R156 WeakPolarHBondContact O-CG 3.22Å | ||
| 96 | E | 92.5 | Very high | 88.1 | Confident | 35 Ų | 35 | 57 Ų | 57 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138.6 | 169.1 | -55.3 | -90.2 | 144.2 | 0 | 0 | 108.7 | F16 Q17 W98 G157 L158 K159 | F16-E96 CarbonylContact C-O 3.55Å; F16-E96 WeakPolarHBondContact CA-O 3.4Å; Q17-E96 HydrophobicContact CB-CB 4.13Å; Q17-E96 PolarHBondContact N-O 3.02Å; Q17-E96 PolarHBondContact O-N 3.01Å; E96-W98 HydrophobicContact CB-CZ2 4.04Å; E96-G157 VanDerWaalsContact OE1-CA 3.25Å; E96-G157 WeakPolarHBondContact OE1-CA 3.36Å; E96-G157 WeakPolarHBondContact OE2-CA 2.98Å; E96-L158 PolarHBondContact OE1-N 3.14Å; E96-L158 PolarHBondContact OE2-N 3.36Å; E96-K159 WeakPolarHBondContact OE2-CB 3.26Å; E96-K159 PolarHBondContact OE2-N 3.46Å |
| 97 | I | 94.9 | Very high | 88.7 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.2 | 179.9 | -55.6 | 176.4 | 0 | 0 | 0 | 108.2 | V14 I15 F16 L80 P155 R156 | V14-I97 HydrophobicContact CG1-CG2 3.71Å; I15-I97 CarbonylContact O-C 3.59Å; I15-I97 VanDerWaalsContact O-CA 3.31Å; I15-I97 WeakPolarHBondContact O-CA 3.48Å; F16-I97 HydrophobicContact CD1-CD1 4.06Å; F16-I97 HydrophobicContact CD1-CG1 3.8Å; F16-I97 HydrophobicContact CE1-CD1 3.79Å; F16-I97 HydrophobicContact CE1-CG1 3.97Å; F16-I97 HydrophobicContact CE1-CG2 4.32Å; L80-I97 HydrophobicContact CD1-CG2 4.25Å; L80-I97 HydrophobicContact CD2-CD1 4.31Å; L80-I97 HydrophobicContact CD2-CG2 4.49Å; I97-P155 HydrophobicContact CG2-CB 4.47Å; I97-P155 HydrophobicContact CG2-CG 4.32Å; I97-P155 VanDerWaalsContact O-CD 3.3Å; I97-P155 WeakPolarHBondContact O-CD 3.11Å; I97-R156 HydrophobicContact CB-CB 4.09Å; I97-R156 HydrophobicContact CD1-CB 3.98Å; I97-R156 HydrophobicContact CG1-CB 4Å; I97-R156 PolarHBondContact N-O 3.49Å |
| 98 | W | 96.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 144.2 | 174.4 | -48.6 | -43.8 | 0 | 0 | 0 | 110.4 | V14 I15 Q17 E96 L116 I152 E153 K159 I161 L164 | V14-W98 CarbonylContact C-O 3.55Å; V14-W98 WeakPolarHBondContact CA-O 3.49Å; I15-W98 HydrophobicContact CB-CB 4.43Å; I15-W98 HydrophobicContact CB-CE3 4.05Å; I15-W98 HydrophobicContact CD1-CE3 4.37Å; I15-W98 HydrophobicContact CG2-CE3 3.83Å; I15-W98 HydrophobicContact CG2-CZ3 4.13Å; I15-W98 PolarHBondContact N-O 2.88Å; I15-W98 PolarHBondContact O-N 2.88Å; Q17-W98 HydrophobicContact CB-CH2 4.24Å; Q17-W98 VanDerWaalsContact OE1-CH2 3.27Å; E96-W98 HydrophobicContact CB-CZ2 4.04Å; W98-L116 HydrophobicContact CH2-CD1 3.69Å; W98-L116 HydrophobicContact CZ3-CD1 3.95Å; W98-L116 HydrophobicContact CZ3-CD2 4.16Å; W98-I152 HydrophobicContact CB-CG2 3.93Å; W98-I152 HydrophobicContact CG-CG2 4.22Å; W98-E153 CarbonylContact C-O 3.51Å; W98-E153 VanDerWaalsContact CA-O 3.31Å; W98-E153 WeakPolarHBondContact CA-O 3.33Å; W98-K159 HydrophobicContact CH2-CD 4.3Å; W98-K159 HydrophobicContact CZ2-CB 4.34Å; W98-K159 HydrophobicContact CZ2-CD 3.91Å; W98-I161 HydrophobicContact CD2-CD1 3.78Å; W98-I161 VanDerWaalsContact CE2-CD1 3.47Å; W98-I161 HydrophobicContact CE3-CD1 4.15Å; W98-I161 HydrophobicContact CG-CD1 4.38Å; W98-I161 HydrophobicContact CH2-CD1 3.97Å; W98-I161 HydrophobicContact CZ2-CD1 3.6Å; W98-I161 HydrophobicContact CZ3-CD1 4.23Å; W98-L164 HydrophobicContact CE3-CD1 4.34Å |
| 99 | I | 96.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.4 | 170.1 | -51 | 175.9 | 0 | 0 | 0 | 107.5 | V12 L13 V14 A73 A76 Q77 L80 E153 P155 | V12-I99 HydrophobicContact CB-CG2 3.75Å; V12-I99 HydrophobicContact CG1-CG2 4.08Å; V12-I99 HydrophobicContact CG2-CG2 3.78Å; L13-I99 WeakPolarHBondContact O-CA 3.24Å; V14-I99 HydrophobicContact CG1-CG1 4.43Å; V14-I99 HydrophobicContact CG2-CG1 4.29Å; A73-I99 HydrophobicContact CB-CG2 4.24Å; A76-I99 HydrophobicContact CB-CD1 4.06Å; Q77-I99 HydrophobicContact CG-CD1 3.87Å; L80-I99 HydrophobicContact CD1-CD1 3.99Å; I99-E153 HydrophobicContact CB-CB 4.13Å; I99-E153 PolarHBondContact N-O 2.86Å; I99-E153 PolarHBondContact O-N 3.3Å; I99-P155 HydrophobicContact CD1-CG 3.65Å; I99-P155 HydrophobicContact CG1-CG 3.89Å |
| 100 | V | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140 | 179.8 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | V12 L13 I15 T149 I152 L164 I166 | V12-V100 CarbonylContact C-O 3.59Å; V12-V100 VanDerWaalsContact CA-O 3.23Å; V12-V100 WeakPolarHBondContact CA-O 3.42Å; V12-V100 WeakPolarHBondContact CB-O 3.27Å; L13-V100 HydrophobicContact CB-CG2 4.05Å; L13-V100 PolarHBondContact N-O 2.88Å; L13-V100 PolarHBondContact O-N 3.03Å; I15-V100 HydrophobicContact CD1-CG2 3.93Å; V100-T149 HydrophobicContact CB-CG2 4.12Å; V100-T149 HydrophobicContact CG1-CG2 4.24Å; V100-I152 HydrophobicContact CG1-CB 4.41Å; V100-I152 HydrophobicContact CG1-CG1 4.05Å; V100-I152 HydrophobicContact CG1-CG2 4.07Å; V100-L164 HydrophobicContact CG1-CD1 4.13Å; V100-L164 HydrophobicContact CG1-CD2 4.26Å; V100-L164 HydrophobicContact CG2-CD2 4.35Å; V100-I166 HydrophobicContact CG2-CD1 4.17Å |
| 101 | P | 97.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.6 | 172.9 | 28.1 | -36.4 | 0 | 0 | 0 | 111.3 | P10 S147 T149 Y151 | P10-P101 HydrophobicContact CB-CB 4.48Å; P10-P101 HydrophobicContact CG-CB 3.85Å; P101-S147 WeakPolarHBondContact O-CB 3.36Å; P101-S147 PolarHBondContact O-OG 3.21Å; P101-T149 HydrophobicContact CG-CG2 4.08Å; P101-Y151 WeakPolarHBondContact CD-O 3.48Å |
| 102 | L | 96.4 | Very high | 92.3 | Very high | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | trans | -85.2 | 134.9 | 168.5 | -69.1 | 172 | 0 | 0 | 0 | 109.5 | A11 L13 I146 | A11-L102 HydrophobicContact CB-CD1 4.16Å; A11-L102 WeakPolarHBondContact O-CB 3.2Å; A11-L102 PolarHBondContact O-N 2.98Å; L13-L102 HydrophobicContact CB-CD2 4.16Å; L13-L102 HydrophobicContact CB-CG 4.44Å; L102-I146 WeakPolarHBondContact CA-O 3.38Å; L102-I146 HydrophobicContact CD2-CG2 3.73Å; L102-I146 WeakPolarHBondContact CD2-O 3.23Å | ||
| 103 | C | 93.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 53% | 0.534 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -90.5 | -25.2 | 172.5 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | F145 I146 | C103-F145 WeakPolarHBondContact CB-O 3.4Å; C103-I146 PolarHBondContact N-O 2.66Å |
| 104 | T | 91.7 | Very high | 93.3 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 39% | 0.393 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -141.1 | 163.6 | 177.2 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | I146 | T104-I146 VanDerWaalsContact OG1-CD1 3.24Å; T104-I146 WeakPolarHBondContact OG1-CD1 3.41Å |
| 105 | E | 89.7 | Confident | 93.9 | Very high | 176 Ų | 176 | 42.8 Ų | 42.8 | 82% | 0.822 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -60.8 | 140.9 | 171.6 | -66.2 | -176.3 | 175 | 0 | 0 | 111.5 | ||
| 106 | I | 90.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 19% | 0.185 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 128.1 | 173.8 | 179.3 | 129.6 | 0 | 0 | 0 | 109.9 | L13 V46 L112 E168 | L13-I106 HydrophobicContact CD1-CD1 4.31Å; V46-I106 HydrophobicContact CG1-CD1 3.62Å; V46-I106 HydrophobicContact CG1-CG1 4.11Å; V46-I106 HydrophobicContact CG2-CD1 4.31Å; V46-I106 HydrophobicContact CG2-CG2 4.38Å; I106-L112 HydrophobicContact CD1-CD1 4.14Å; I106-L112 HydrophobicContact CD1-CD2 4.3Å; I106-E168 WeakPolarHBondContact CA-OE1 3.48Å; I106-E168 WeakPolarHBondContact CG1-OE1 2.97Å |
| 107 | R | 89.5 | Confident | 94.1 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -79.8 | 158.3 | 173.3 | -64.5 | 174.4 | -174.4 | 71.6 | 1.1 | 110.2 | W109 V143 E168 | R107-W109 HydrophobicContact CB-CB 4.49Å; R107-W109 HydrophobicContact CB-CD2 4.17Å; R107-W109 HydrophobicContact CB-CG 4.05Å; R107-W109 PolarHBondContact O-N 2.83Å; R107-V143 VanDerWaalsContact NH1-CB 3.33Å; R107-V143 VanDerWaalsContact NH1-CG1 3.27Å; R107-E168 WeakPolarHBondContact CB-OE2 3.47Å; R107-E168 VanDerWaalsContact CG-OE2 3.27Å; R107-E168 WeakPolarHBondContact CG-OE2 3.4Å; R107-E168 PolarHBondContact N-OE1 3.37Å; R107-E168 PolarHBondContact N-OE2 2.81Å; R107-E168 VanDerWaalsContact N-OE2 3.14Å; R107-E168 IonicContact NH1-OE2 3.91Å; R107-E168 PolarHBondContact NH1-OE2 3.05Å |
| 108 | L | 84.9 | Confident | 93.9 | Very high | 145 Ų | 145 | 43.4 Ų | 43.4 | 76% | 0.759 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -75.7 | 28.5 | 172.6 | -62.4 | 176.1 | 0 | 0 | 0 | 113.1 | ||
| 109 | W | 92.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | trans | -79.1 | 156.5 | 175.2 | -66.9 | -10.5 | 0 | 0 | 0 | 110.5 | R107 V143 E168 P170 | R107-W109 HydrophobicContact CB-CB 4.49Å; R107-W109 HydrophobicContact CB-CD2 4.17Å; R107-W109 HydrophobicContact CB-CG 4.05Å; R107-W109 PolarHBondContact O-N 2.83Å; W109-V143 HydrophobicContact CH2-CG2 4.21Å; W109-V143 HydrophobicContact CZ3-CG2 3.94Å; W109-E168 HydrophobicContact CE3-CB 4.06Å; W109-E168 HydrophobicContact CZ3-CB 4.5Å; W109-P170 HydrophobicContact CD2-CB 4.21Å; W109-P170 VanDerWaalsContact CE3-CA 3.48Å; W109-P170 HydrophobicContact CE3-CB 4.13Å; W109-P170 VanDerWaalsContact CE3-N 3.28Å; W109-P170 HydrophobicContact CH2-CB 3.77Å; W109-P170 HydrophobicContact CH2-CG 4.27Å; W109-P170 HydrophobicContact CZ2-CB 3.86Å; W109-P170 HydrophobicContact CZ3-CB 3.91Å; W109-P170 HydrophobicContact CZ3-CG 4.26Å | ||
| 110 | N | 94.8 | Very high | 91.9 | Very high | 67 Ų | 67 | 49.2 Ų | 49.2 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -98 | 7 | -172 | -63.3 | -17.6 | 0 | 0 | 0 | 113 | M203 I204 H206 | N110-M203 CarbonylContact O-C 3.56Å; N110-M203 WeakPolarHBondContact O-CA 3.34Å; N110-I204 WeakPolarHBondContact CB-O 3.1Å; N110-I204 PolarHBondContact O-N 3Å; N110-H206 PolarHBondContact OD1-CD2 2.66Å; N110-H206 PolarHBondContact OD1-NE2 3.12Å |
| 111 | Y | 96.6 | Very high | 91.4 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 107.1 | -171.9 | -58.4 | -81.5 | 0 | 0 | 0 | 110.3 | W169 E172 M203 | Y111-W169 PolarHBondContact O-N 3.27Å; Y111-E172 HydrophobicContact CD1-CB 4.21Å; Y111-E172 HydrophobicContact CE1-CB 3.64Å; Y111-E172 HydrophobicContact CE1-CG 4.33Å; Y111-M203 HydrophobicContact CD1-CG 4.18Å; Y111-M203 HydrophobicContact CE1-CB 4.47Å; Y111-M203 HydrophobicContact CE1-CG 4.01Å |
| 112 | L | 97 | Very high | 90.8 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.1 | 176.7 | -62.3 | 179.5 | 0 | 0 | 0 | 109.3 | F67 I106 L114 I166 T167 E168 A202 I204 | F67-L112 HydrophobicContact CD1-CD1 4.43Å; F67-L112 HydrophobicContact CD2-CD1 4.14Å; F67-L112 HydrophobicContact CE1-CD1 4.37Å; F67-L112 HydrophobicContact CE2-CD1 4.12Å; F67-L112 HydrophobicContact CG-CD1 4.29Å; F67-L112 HydrophobicContact CZ-CD1 4.22Å; I106-L112 HydrophobicContact CD1-CD1 4.14Å; I106-L112 HydrophobicContact CD1-CD2 4.3Å; L112-L114 HydrophobicContact CB-CD1 3.99Å; L112-I166 HydrophobicContact CD2-CG2 4.34Å; L112-T167 CarbonylContact C-O 3.57Å; L112-T167 WeakPolarHBondContact CA-O 3.33Å; L112-E168 HydrophobicContact CD2-CB 4.4Å; L112-E168 HydrophobicContact CD2-CG 3.27Å; L112-A202 PolarHBondContact N-O 2.82Å; L112-A202 WeakPolarHBondContact O-CB 3.39Å; L112-A202 PolarHBondContact O-N 3.19Å; L112-I204 HydrophobicContact CB-CD1 4.48Å; L112-I204 HydrophobicContact CB-CG1 4.35Å; L112-I204 HydrophobicContact CD1-CD1 4.1Å; L112-I204 HydrophobicContact CD1-CG1 3.87Å; L112-I204 HydrophobicContact CG-CD1 4.38Å; L112-I204 HydrophobicContact CG-CG1 3.88Å |
| 113 | Q | 97.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.6 | 170.6 | -176.8 | -178.3 | -53.5 | 0 | 0 | 109.4 | L55 I166 T167 W178 N179 T199 I200 L201 | L55-Q113 HydrophobicContact CD1-CG 4.04Å; Q113-I166 WeakPolarHBondContact O-CA 3.31Å; Q113-T167 PolarHBondContact N-O 3.36Å; Q113-T167 PolarHBondContact O-N 3.15Å; Q113-W178 VanDerWaalsContact NE2-CZ3 3.27Å; Q113-N179 PolarHBondContact OE1-ND2 2.82Å; Q113-T199 HydrophobicContact CG-CG2 3.74Å; Q113-I200 CarbonylContact C-O 3.49Å; Q113-I200 WeakPolarHBondContact CA-O 3.29Å; Q113-I200 WeakPolarHBondContact CG-O 3.27Å; Q113-L201 HydrophobicContact CB-CD1 4.17Å |
| 114 | L | 96.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.2 | 176.2 | -82.3 | 65.5 | 0 | 0 | 0 | 108.4 | I15 V65 F67 L112 I166 T199 I200 | I15-L114 HydrophobicContact CD1-CD2 4.3Å; I15-L114 HydrophobicContact CG2-CD2 4.01Å; V65-L114 HydrophobicContact CG1-CD2 4.37Å; F67-L114 HydrophobicContact CE1-CD1 3.93Å; F67-L114 HydrophobicContact CE1-CD2 3.86Å; F67-L114 HydrophobicContact CE1-CG 4.41Å; F67-L114 HydrophobicContact CZ-CD1 3.6Å; F67-L114 HydrophobicContact CZ-CD2 3.82Å; F67-L114 HydrophobicContact CZ-CG 4.35Å; L112-L114 HydrophobicContact CB-CD1 3.99Å; L114-I166 HydrophobicContact CD1-CG2 4.32Å; L114-I166 HydrophobicContact CG-CG1 4.41Å; L114-T199 CarbonylContact O-C 3.6Å; L114-T199 VanDerWaalsContact O-CA 3.29Å; L114-T199 WeakPolarHBondContact O-CA 3.36Å; L114-I200 HydrophobicContact CB-CD1 4.37Å; L114-I200 HydrophobicContact CB-CG1 3.86Å; L114-I200 PolarHBondContact N-O 2.84Å; L114-I200 PolarHBondContact O-N 3.28Å |
| 115 | S | 95.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.9 | 176.4 | -44.1 | 0 | 0 | 0 | 0 | 108.5 | F117 L164 I165 T199 | S115-F117 VanDerWaalsContact CB-CE2 3.44Å; S115-F117 WeakPolarHBondContact O-CE2 3.36Å; S115-L164 WeakPolarHBondContact O-CA 3.23Å; S115-I165 PolarHBondContact N-O 2.87Å; S115-I165 PolarHBondContact O-N 2.9Å; S115-T199 WeakPolarHBondContact OG-CG2 3.22Å |
| 116 | L | 94.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.3 | -177.9 | -51.9 | 179.6 | 0 | 0 | 0 | 108.7 | W59 W98 K159 I161 L164 S197 S198 | W59-L116 HydrophobicContact CZ3-CD1 3.84Å; W98-L116 HydrophobicContact CH2-CD1 3.69Å; W98-L116 HydrophobicContact CZ3-CD1 3.95Å; W98-L116 HydrophobicContact CZ3-CD2 4.16Å; L116-K159 HydrophobicContact CD1-CD 4.44Å; L116-I161 HydrophobicContact CB-CG2 4.31Å; L116-I161 HydrophobicContact CD1-CD1 4.26Å; L116-I161 HydrophobicContact CD2-CD1 4.1Å; L116-I161 HydrophobicContact CD2-CG2 4.4Å; L116-L164 HydrophobicContact CD2-CB 4.37Å; L116-L164 HydrophobicContact CD2-CD1 3.39Å; L116-L164 HydrophobicContact CD2-CG 3.75Å; L116-S197 CarbonylContact O-C 3.58Å; L116-S197 WeakPolarHBondContact O-CA 3.46Å; L116-S197 WeakPolarHBondContact O-CB 3.25Å; L116-S198 PolarHBondContact N-O 3.17Å; L116-S198 PolarHBondContact O-N 3.06Å |
| 117 | F | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138 | -173 | -59.8 | -94.2 | 0 | 0 | 0 | 111.3 | S115 I120 F125 Y129 D162 Y163 I165 Q191 K196 | S115-F117 VanDerWaalsContact CB-CE2 3.44Å; S115-F117 WeakPolarHBondContact O-CE2 3.36Å; F117-I120 HydrophobicContact CB-CD1 3.53Å; F117-I120 HydrophobicContact CB-CG1 3.96Å; F117-I120 HydrophobicContact CG-CD1 4.47Å; F117-F125 AromaticContact CD1-CE2 3.78Å; F117-F125 HydrophobicContact CD1-CE2 3.78Å; F117-F125 HydrophobicContact CD1-CZ 4.24Å; F117-F125 HydrophobicContact CD2-CE2 4.45Å; F117-F125 HydrophobicContact CD2-CZ 4.1Å; F117-F125 AromaticContact CE1-CE2 3.81Å; F117-F125 HydrophobicContact CE1-CE2 3.81Å; F117-F125 HydrophobicContact CE1-CZ 4.31Å; F117-F125 HydrophobicContact CE2-CE2 4.49Å; F117-F125 HydrophobicContact CE2-CZ 4.18Å; F117-F125 HydrophobicContact CG-CE2 4.12Å; F117-F125 HydrophobicContact CG-CZ 4.14Å; F117-F125 HydrophobicContact CZ-CE2 4.19Å; F117-F125 HydrophobicContact CZ-CZ 4.29Å; F117-Y129 HydrophobicContact CE1-CE1 4.15Å; F117-Y129 HydrophobicContact CZ-CE1 4.03Å; F117-D162 PolarHBondContact O-N 3.49Å; F117-Y163 HydrophobicContact CD2-CD1 4.44Å; F117-Y163 WeakPolarHBondContact CD2-O 3.34Å; F117-Y163 PolarHBondContact N-O 2.87Å; F117-Y163 PolarHBondContact O-N 3.38Å; F117-I165 HydrophobicContact CE2-CB 4.09Å; F117-I165 HydrophobicContact CE2-CD1 3.58Å; F117-I165 HydrophobicContact CE2-CG1 3.78Å; F117-I165 HydrophobicContact CZ-CD1 3.88Å; F117-Q191 HydrophobicContact CD1-CG 4.26Å; F117-Q191 HydrophobicContact CE1-CG 4.04Å; F117-K196 WeakPolarHBondContact CA-O 3.44Å |
| 118 | N | 90.2 | Very high | 90.4 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146 | 177.1 | -72.3 | -8.8 | 0 | 0 | 0 | 111.1 | E160 I161 D162 S195 K196 | N118-E160 PolarHBondContact ND2-O 2.95Å; N118-E160 VanDerWaalsContact ND2-O 3.09Å; N118-E160 PolarHBondContact OD1-O 3.43Å; N118-I161 VanDerWaalsContact OD1-CA 3.31Å; N118-I161 WeakPolarHBondContact OD1-CA 3.23Å; N118-D162 PolarHBondContact OD1-N 3.41Å; N118-S195 WeakPolarHBondContact O-CA 3.3Å; N118-S195 PolarHBondContact O-OG 2.95Å; N118-K196 PolarHBondContact N-O 3.47Å; N118-K196 PolarHBondContact O-N 3.46Å |
| 119 | S | 75.8 | Confident | 90.8 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 65% | 0.65 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 62.7 | 50.1 | 176.3 | -52.6 | 0 | 0 | 0 | 0 | 114.1 | D162 | S119-D162 WeakPolarHBondContact CA-OD2 3.44Å; S119-D162 PolarHBondContact N-OD2 3.34Å |
| 120 | I | 75.2 | Confident | 90.9 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | trans | -82.3 | 132.7 | -169.7 | -53.5 | 171.5 | 0 | 0 | 0 | 112.2 | F117 E122 F125 D162 Y163 F194 | F117-I120 HydrophobicContact CB-CD1 3.53Å; F117-I120 HydrophobicContact CB-CG1 3.96Å; F117-I120 HydrophobicContact CG-CD1 4.47Å; I120-E122 PolarHBondContact O-N 3.06Å; I120-E122 VanDerWaalsContact O-N 3.16Å; I120-F125 HydrophobicContact CD1-CE1 4.46Å; I120-F125 HydrophobicContact CG2-CB 3.24Å; I120-F125 HydrophobicContact CG2-CD1 3.97Å; I120-F125 HydrophobicContact CG2-CD2 3.9Å; I120-F125 HydrophobicContact CG2-CG 3.45Å; I120-F125 VanDerWaalsContact CG2-CG 3.45Å; I120-D162 HydrophobicContact CD1-CB 4.03Å; I120-D162 HydrophobicContact CG1-CB 4.31Å; I120-Y163 HydrophobicContact CD1-CG 4.2Å; I120-F194 WeakPolarHBondContact CA-O 3.48Å | ||
| 121 | N | 86.1 | Confident | 91 | Very high | 74 Ų | 74 | 47 Ų | 47 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -73 | 98.8 | 155.6 | -177 | -46.4 | 0 | 0 | 0 | 109 | D123 N124 F125 F194 | N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.78Å; N121-D123 PolarHBondContact OD1-N 3.02Å; N121-N124 HydrophobicContact CB-CB 4.33Å; N121-N124 PolarHBondContact O-N 2.79Å; N121-N124 PolarHBondContact OD1-N 2.9Å; N121-F125 WeakPolarHBondContact O-CB 3.33Å; N121-F125 PolarHBondContact O-N 3.46Å; N121-F194 HydrophobicContact CB-CB 3.75Å; N121-F194 HydrophobicContact CB-CG 4.45Å; N121-F194 PolarHBondContact N-O 3.05Å | ||
| 122 | E | 84.9 | Confident | 91 | Very high | 116 Ų | 116 | 49.4 Ų | 49.4 | 54% | 0.542 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -53.9 | -40.3 | -172.6 | -72.9 | -164.3 | -156.7 | 0 | 0 | 113.8 | I120 F125 K126 | I120-E122 PolarHBondContact O-N 3.06Å; I120-E122 VanDerWaalsContact O-N 3.16Å; E122-F125 PolarHBondContact O-N 2.81Å; E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 VanDerWaalsContact O-CG 3.32Å; E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.03Å; E122-K126 IonicContact OE2-NZ 2.65Å; E122-K126 PolarHBondContact OE2-NZ 3.16Å |
| 123 | D | 87.4 | Confident | 91 | Very high | 112 Ų | 112 | 49.3 Ų | 49.3 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.7 | -46.8 | -176.5 | -74.8 | -26.9 | 0 | 0 | 0 | 111.5 | N121 F125 N127 | N121-D123 VanDerWaalsContact C-N 3.26Å; N121-D123 PolarHBondContact O-N 2.78Å; N121-D123 PolarHBondContact OD1-N 3.02Å; D123-F125 VanDerWaalsContact C-N 3.34Å; D123-N127 VanDerWaalsContact O-CB 3.24Å; D123-N127 WeakPolarHBondContact O-CB 3.25Å; D123-N127 PolarHBondContact O-N 3.03Å; D123-N127 PolarHBondContact O-ND2 3.04Å |
| 124 | N | 89.1 | Confident | 91 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 177.5 | -74.1 | -18.8 | 0 | 0 | 0 | 111.2 | N121 Q128 Y129 F194 | N121-N124 HydrophobicContact CB-CB 4.33Å; N121-N124 PolarHBondContact O-N 2.79Å; N121-N124 PolarHBondContact OD1-N 2.9Å; N124-Q128 WeakPolarHBondContact O-CA 3.43Å; N124-Q128 VanDerWaalsContact O-CB 3.24Å; N124-Q128 WeakPolarHBondContact O-CB 3.38Å; N124-Q128 PolarHBondContact O-N 2.93Å; N124-Q128 PolarHBondContact OD1-NE2 3.31Å; N124-Y129 PolarHBondContact O-N 2.93Å; N124-F194 HydrophobicContact CB-CD1 3.95Å; N124-F194 HydrophobicContact CB-CE1 4.21Å; N124-F194 HydrophobicContact CB-CG 4.47Å |
| 125 | F | 91.1 | Very high | 91 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -64.3 | -52.3 | 179.6 | -173.2 | -104.6 | 0 | 0 | 0 | 111.7 | F117 I120 N121 E122 D123 Y129 L130 Y163 I165 F194 | F117-F125 AromaticContact CD1-CE2 3.78Å; F117-F125 HydrophobicContact CD1-CE2 3.78Å; F117-F125 HydrophobicContact CD1-CZ 4.24Å; F117-F125 HydrophobicContact CD2-CE2 4.45Å; F117-F125 HydrophobicContact CD2-CZ 4.1Å; F117-F125 AromaticContact CE1-CE2 3.81Å; F117-F125 HydrophobicContact CE1-CE2 3.81Å; F117-F125 HydrophobicContact CE1-CZ 4.31Å; F117-F125 HydrophobicContact CE2-CE2 4.49Å; F117-F125 HydrophobicContact CE2-CZ 4.18Å; F117-F125 HydrophobicContact CG-CE2 4.12Å; F117-F125 HydrophobicContact CG-CZ 4.14Å; F117-F125 HydrophobicContact CZ-CE2 4.19Å; F117-F125 HydrophobicContact CZ-CZ 4.29Å; I120-F125 HydrophobicContact CD1-CE1 4.46Å; I120-F125 HydrophobicContact CG2-CB 3.24Å; I120-F125 HydrophobicContact CG2-CD1 3.97Å; I120-F125 HydrophobicContact CG2-CD2 3.9Å; I120-F125 HydrophobicContact CG2-CG 3.45Å; I120-F125 VanDerWaalsContact CG2-CG 3.45Å; N121-F125 WeakPolarHBondContact O-CB 3.33Å; N121-F125 PolarHBondContact O-N 3.46Å; E122-F125 PolarHBondContact O-N 2.81Å; D123-F125 VanDerWaalsContact C-N 3.34Å; F125-Y129 AromaticContact CD2-CD1 3.71Å; F125-Y129 HydrophobicContact CD2-CD1 3.71Å; F125-Y129 HydrophobicContact CD2-CE1 4.42Å; F125-Y129 HydrophobicContact CD2-CG 4.03Å; F125-Y129 AromaticContact CE2-CD1 3.4Å; F125-Y129 HydrophobicContact CE2-CD1 3.4Å; F125-Y129 VanDerWaalsContact CE2-CD1 3.4Å; F125-Y129 AromaticContact CE2-CE1 3.71Å; F125-Y129 HydrophobicContact CE2-CE1 3.71Å; F125-Y129 HydrophobicContact CE2-CG 4.13Å; F125-Y129 HydrophobicContact CZ-CD1 4.08Å; F125-Y129 HydrophobicContact CZ-CE1 4.27Å; F125-Y129 WeakPolarHBondContact O-CB 3.29Å; F125-Y129 PolarHBondContact O-N 2.76Å; F125-L130 HydrophobicContact CD1-CD1 4.28Å; F125-L130 HydrophobicContact CD1-CD2 4.38Å; F125-L130 HydrophobicContact CD1-CG 4.15Å; F125-L130 HydrophobicContact CE1-CD1 4.15Å; F125-L130 HydrophobicContact CE1-CD2 3.73Å; F125-L130 HydrophobicContact CE1-CG 3.98Å; F125-L130 HydrophobicContact CZ-CD2 3.87Å; F125-L130 HydrophobicContact CZ-CG 4.49Å; F125-L130 PolarHBondContact O-N 2.83Å; F125-Y163 HydrophobicContact CD1-CD2 4.48Å; F125-Y163 AromaticContact CE1-CD1 3.52Å; F125-Y163 HydrophobicContact CE1-CD1 3.52Å; F125-Y163 AromaticContact CE1-CD2 3.88Å; F125-Y163 HydrophobicContact CE1-CD2 3.88Å; F125-Y163 AromaticContact CE1-CE1 3.66Å; F125-Y163 HydrophobicContact CE1-CE1 3.66Å; F125-Y163 AromaticContact CE1-CE2 4Å; F125-Y163 HydrophobicContact CE1-CE2 4Å; F125-Y163 AromaticContact CE1-CG 3.64Å; F125-Y163 HydrophobicContact CE1-CG 3.64Å; F125-Y163 AromaticContact CE1-CZ 3.9Å; F125-Y163 AromaticContact CZ-CD1 3.75Å; F125-Y163 HydrophobicContact CZ-CD1 3.75Å; F125-Y163 HydrophobicContact CZ-CE1 4.11Å; F125-Y163 HydrophobicContact CZ-CG 4.13Å; F125-I165 HydrophobicContact CZ-CD1 4.05Å; F125-F194 HydrophobicContact CB-CE2 4.32Å; F125-F194 AromaticContact CD2-CE2 3.75Å; F125-F194 HydrophobicContact CD2-CE2 3.75Å; F125-F194 HydrophobicContact CD2-CZ 4.42Å |
| 126 | K | 90.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -68.6 | -41.4 | -177.4 | -70.8 | 171.4 | 177.9 | 165.8 | 0 | 112.5 | E122 L130 P131 | E122-K126 VanDerWaalsContact O-CB 3.28Å; E122-K126 WeakPolarHBondContact O-CB 3.44Å; E122-K126 VanDerWaalsContact O-CG 3.32Å; E122-K126 WeakPolarHBondContact O-CG 3.37Å; E122-K126 PolarHBondContact O-N 3.03Å; E122-K126 IonicContact OE2-NZ 2.65Å; E122-K126 PolarHBondContact OE2-NZ 3.16Å; K126-L130 HydrophobicContact CG-CD1 4.4Å; K126-P131 WeakPolarHBondContact O-CD 3.08Å |
| 127 | N | 91.7 | Very high | 91.3 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 62% | 0.615 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -94.8 | -18.1 | -170.7 | -58.7 | -60.5 | 0 | 0 | 0 | 114.3 | D123 | D123-N127 VanDerWaalsContact O-CB 3.24Å; D123-N127 WeakPolarHBondContact O-CB 3.25Å; D123-N127 PolarHBondContact O-N 3.03Å; D123-N127 PolarHBondContact O-ND2 3.04Å |
| 128 | Q | 92.5 | Very high | 91.5 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -119.5 | -47.4 | -178.5 | -51.1 | -172.8 | 41.2 | 0 | 0 | 112.7 | N124 K132 M190 | N124-Q128 WeakPolarHBondContact O-CA 3.43Å; N124-Q128 VanDerWaalsContact O-CB 3.24Å; N124-Q128 WeakPolarHBondContact O-CB 3.38Å; N124-Q128 PolarHBondContact O-N 2.93Å; N124-Q128 PolarHBondContact OD1-NE2 3.31Å; Q128-K132 WeakPolarHBondContact O-CG 3.42Å; Q128-M190 HydrophobicContact CB-CE 4.46Å; Q128-M190 HydrophobicContact CB-SD 4.08Å |
| 129 | Y | 93.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -75 | -54.9 | -175.3 | 179.8 | -90.3 | 0 | 0 | 0 | 112.4 | F117 N124 F125 K132 F133 I165 L187 M190 Q191 F194 | F117-Y129 HydrophobicContact CE1-CE1 4.15Å; F117-Y129 HydrophobicContact CZ-CE1 4.03Å; N124-Y129 PolarHBondContact O-N 2.93Å; F125-Y129 AromaticContact CD2-CD1 3.71Å; F125-Y129 HydrophobicContact CD2-CD1 3.71Å; F125-Y129 HydrophobicContact CD2-CE1 4.42Å; F125-Y129 HydrophobicContact CD2-CG 4.03Å; F125-Y129 AromaticContact CE2-CD1 3.4Å; F125-Y129 HydrophobicContact CE2-CD1 3.4Å; F125-Y129 VanDerWaalsContact CE2-CD1 3.4Å; F125-Y129 AromaticContact CE2-CE1 3.71Å; F125-Y129 HydrophobicContact CE2-CE1 3.71Å; F125-Y129 HydrophobicContact CE2-CG 4.13Å; F125-Y129 HydrophobicContact CZ-CD1 4.08Å; F125-Y129 HydrophobicContact CZ-CE1 4.27Å; F125-Y129 WeakPolarHBondContact O-CB 3.29Å; F125-Y129 PolarHBondContact O-N 2.76Å; Y129-K132 PolarHBondContact O-N 3.26Å; Y129-F133 HydrophobicContact CD1-CB 4.48Å; Y129-F133 HydrophobicContact CE1-CB 4.18Å; Y129-F133 HydrophobicContact CE1-CD2 4.09Å; Y129-F133 HydrophobicContact CE1-CG 4.31Å; Y129-F133 WeakPolarHBondContact O-CB 3.32Å; Y129-F133 PolarHBondContact O-N 3.39Å; Y129-I165 HydrophobicContact CE1-CD1 4.22Å; Y129-L187 HydrophobicContact CD2-CD2 3.76Å; Y129-L187 HydrophobicContact CE2-CB 3.97Å; Y129-L187 HydrophobicContact CE2-CD2 3.8Å; Y129-L187 HydrophobicContact CE2-CG 4.47Å; Y129-L187 HydrophobicContact CG-CD2 4.41Å; Y129-M190 HydrophobicContact CD2-SD 4.36Å; Y129-Q191 HydrophobicContact CD2-CB 4.33Å; Y129-Q191 HydrophobicContact CE2-CB 3.96Å; Y129-Q191 HydrophobicContact CE2-CG 4.27Å; Y129-F194 HydrophobicContact CD2-CZ 4.08Å; Y129-F194 HydrophobicContact CG-CZ 4.17Å |
| 130 | L | 95.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 65.1 Ų | 65.1 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.2 | -46.5 | -175.5 | -66.6 | -178.7 | 0 | 0 | 0 | 113.4 | F125 K126 K132 F133 E134 F145 Y163 I165 | F125-L130 HydrophobicContact CD1-CD1 4.28Å; F125-L130 HydrophobicContact CD1-CD2 4.38Å; F125-L130 HydrophobicContact CD1-CG 4.15Å; F125-L130 HydrophobicContact CE1-CD1 4.15Å; F125-L130 HydrophobicContact CE1-CD2 3.73Å; F125-L130 HydrophobicContact CE1-CG 3.98Å; F125-L130 HydrophobicContact CZ-CD2 3.87Å; F125-L130 HydrophobicContact CZ-CG 4.49Å; F125-L130 PolarHBondContact O-N 2.83Å; K126-L130 HydrophobicContact CG-CD1 4.4Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3.16Å; L130-F133 WeakPolarHBondContact O-CB 3.25Å; L130-F133 PolarHBondContact O-N 3.17Å; L130-E134 PolarHBondContact O-N 3.35Å; L130-F145 HydrophobicContact CB-CZ 4.12Å; L130-F145 HydrophobicContact CD2-CE1 3.85Å; L130-F145 HydrophobicContact CD2-CZ 4.05Å; L130-F145 WeakPolarHBondContact O-CZ 3.4Å; L130-Y163 HydrophobicContact CD2-CE1 4.42Å; L130-I165 HydrophobicContact CD2-CD1 3.61Å |
| 131 | P | 95.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 40% | 0.403 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | -179.7 | -24.1 | 35.8 | 0 | 0 | 0 | 112.9 | K126 E134 E135 | K126-P131 WeakPolarHBondContact O-CD 3.08Å; P131-E134 PolarHBondContact O-N 3.08Å; P131-E135 PolarHBondContact O-N 3.29Å; P131-E135 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 96.6 | Very high | 94.4 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 44% | 0.443 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 176.7 | -71.3 | -174.2 | 178.3 | -165.6 | 0 | 112 | Q128 Y129 L130 S136 L187 M190 | Q128-K132 WeakPolarHBondContact O-CG 3.42Å; Y129-K132 PolarHBondContact O-N 3.26Å; L130-K132 VanDerWaalsContact C-N 3.35Å; L130-K132 PolarHBondContact O-N 3.16Å; K132-S136 WeakPolarHBondContact O-CB 3.31Å; K132-S136 PolarHBondContact O-N 2.98Å; K132-L187 HydrophobicContact CB-CD2 3.77Å; K132-M190 HydrophobicContact CD-CE 3.87Å |
| 133 | F | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 174.6 | -178.2 | -86.3 | 0 | 0 | 0 | 110.8 | Y129 L130 S136 V137 P144 F145 I165 T167 W178 L187 | Y129-F133 HydrophobicContact CD1-CB 4.48Å; Y129-F133 HydrophobicContact CE1-CB 4.18Å; Y129-F133 HydrophobicContact CE1-CD2 4.09Å; Y129-F133 HydrophobicContact CE1-CG 4.31Å; Y129-F133 WeakPolarHBondContact O-CB 3.32Å; Y129-F133 PolarHBondContact O-N 3.39Å; L130-F133 WeakPolarHBondContact O-CB 3.25Å; L130-F133 PolarHBondContact O-N 3.17Å; F133-S136 PolarHBondContact O-N 3.15Å; F133-V137 HydrophobicContact CD1-CG2 4.06Å; F133-V137 HydrophobicContact CD2-CG2 4.41Å; F133-V137 HydrophobicContact CE1-CG2 3.69Å; F133-V137 HydrophobicContact CE2-CG2 4.07Å; F133-V137 HydrophobicContact CG-CG2 4.4Å; F133-V137 HydrophobicContact CZ-CG2 3.69Å; F133-V137 WeakPolarHBondContact O-CB 3.18Å; F133-V137 WeakPolarHBondContact O-CG2 3.2Å; F133-V137 PolarHBondContact O-N 2.83Å; F133-P144 HydrophobicContact CD1-CB 4.37Å; F133-P144 HydrophobicContact CE1-CB 4.18Å; F133-F145 HydrophobicContact CD1-CD1 4.36Å; F133-F145 AromaticContact CD1-CE1 3.52Å; F133-F145 HydrophobicContact CD1-CE1 3.52Å; F133-F145 AromaticContact CD1-CZ 3.88Å; F133-F145 HydrophobicContact CD1-CZ 3.88Å; F133-F145 HydrophobicContact CE1-CD1 4.4Å; F133-F145 AromaticContact CE1-CE1 3.96Å; F133-F145 HydrophobicContact CE1-CE1 3.96Å; F133-I165 HydrophobicContact CE1-CG2 3.79Å; F133-I165 HydrophobicContact CZ-CG2 3.95Å; F133-T167 WeakPolarHBondContact CE1-OG1 3.3Å; F133-T167 WeakPolarHBondContact CZ-OG1 3.45Å; F133-W178 HydrophobicContact CD2-CH2 4.35Å; F133-W178 HydrophobicContact CD2-CZ2 4.1Å; F133-W178 AromaticContact CE2-CH2 3.7Å; F133-W178 HydrophobicContact CE2-CH2 3.7Å; F133-W178 AromaticContact CE2-CZ2 3.83Å; F133-W178 HydrophobicContact CE2-CZ2 3.83Å; F133-W178 HydrophobicContact CZ-CH2 4.47Å; F133-L187 HydrophobicContact CB-CD1 4.32Å; F133-L187 HydrophobicContact CB-CD2 4.34Å; F133-L187 HydrophobicContact CD2-CD1 4.25Å |
| 134 | E | 97.5 | Very high | 95.4 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.8 | -51 | 179 | -163.9 | 179.7 | 177.2 | 0 | 0 | 112.5 | L130 P131 S138 P144 F145 | L130-E134 PolarHBondContact O-N 3.35Å; P131-E134 PolarHBondContact O-N 3.08Å; E134-S138 VanDerWaalsContact O-CB 3.28Å; E134-S138 WeakPolarHBondContact O-CB 3.32Å; E134-S138 PolarHBondContact O-N 2.99Å; E134-S138 PolarHBondContact O-OG 3.07Å; E134-P144 HydrophobicContact CB-CG 4.42Å; E134-P144 HydrophobicContact CG-CB 4.3Å; E134-P144 HydrophobicContact CG-CG 3.66Å; E134-F145 HydrophobicContact CB-CD2 4.38Å; E134-F145 HydrophobicContact CB-CE2 3.49Å; E134-F145 VanDerWaalsContact CB-CE2 3.49Å; E134-F145 HydrophobicContact CB-CZ 3.92Å; E134-F145 HydrophobicContact CG-CD2 4.01Å; E134-F145 HydrophobicContact CG-CE2 3.57Å; E134-F145 HydrophobicContact CG-CZ 4.44Å |
| 135 | E | 97.7 | Very high | 95.7 | Very high | 144 Ų | 144 | 52.1 Ų | 52.1 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 179.5 | -176.3 | -176.4 | 176.2 | 0 | 0 | 110.8 | P131 K139 | P131-E135 PolarHBondContact O-N 3.29Å; P131-E135 VanDerWaalsContact O-N 3.12Å; E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.31Å; E135-K139 PolarHBondContact O-N 2.95Å |
| 136 | S | 97.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -47.9 | -177.5 | -175.9 | 0 | 0 | 0 | 0 | 112 | K132 F133 S138 K139 F140 W178 E183 | K132-S136 WeakPolarHBondContact O-CB 3.31Å; K132-S136 PolarHBondContact O-N 2.98Å; F133-S136 PolarHBondContact O-N 3.15Å; S136-S138 PolarHBondContact O-N 3.03Å; S136-K139 WeakPolarHBondContact O-CB 3.45Å; S136-K139 PolarHBondContact O-N 2.85Å; S136-F140 VanDerWaalsContact O-CD2 3.22Å; S136-F140 WeakPolarHBondContact O-CD2 3.45Å; S136-F140 PolarHBondContact O-N 2.7Å; S136-W178 PolarHBondContact OG-NE1 2.82Å; S136-E183 VanDerWaalsContact OG-CB 3.23Å; S136-E183 WeakPolarHBondContact OG-CB 3.44Å |
| 137 | V | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 178.3 | 167.9 | 0 | 0 | 0 | 0 | 111 | F133 K139 F140 G141 G142 P144 T167 W169 W178 | F133-V137 HydrophobicContact CD1-CG2 4.06Å; F133-V137 HydrophobicContact CD2-CG2 4.41Å; F133-V137 HydrophobicContact CE1-CG2 3.69Å; F133-V137 HydrophobicContact CE2-CG2 4.07Å; F133-V137 HydrophobicContact CG-CG2 4.4Å; F133-V137 HydrophobicContact CZ-CG2 3.69Å; F133-V137 WeakPolarHBondContact O-CB 3.18Å; F133-V137 WeakPolarHBondContact O-CG2 3.2Å; F133-V137 PolarHBondContact O-N 2.83Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 2.82Å; V137-F140 PolarHBondContact O-N 3.39Å; V137-G141 PolarHBondContact O-N 2.79Å; V137-G142 PolarHBondContact O-N 2.59Å; V137-G142 VanDerWaalsContact O-N 3.15Å; V137-P144 HydrophobicContact CB-CB 4.09Å; V137-P144 HydrophobicContact CG1-CB 3.92Å; V137-P144 HydrophobicContact CG1-CG 4.33Å; V137-T167 HydrophobicContact CG1-CG2 3.45Å; V137-T167 VanDerWaalsContact CG1-CG2 3.45Å; V137-T167 HydrophobicContact CG2-CG2 4.35Å; V137-W169 HydrophobicContact CB-CH2 4.43Å; V137-W169 HydrophobicContact CG1-CH2 4.05Å; V137-W169 HydrophobicContact CG1-CZ2 4.18Å; V137-W169 HydrophobicContact CG2-CH2 4.35Å; V137-W169 HydrophobicContact CG2-CZ2 4.24Å; V137-W178 HydrophobicContact CG2-CD2 4.41Å; V137-W178 HydrophobicContact CG2-CH2 4.48Å; V137-W178 HydrophobicContact CG2-CZ2 3.8Å |
| 138 | S | 97.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.9 | -39.1 | -179.6 | -58.3 | 0 | 0 | 0 | 0 | 112 | E134 S136 F140 G141 P144 | E134-S138 VanDerWaalsContact O-CB 3.28Å; E134-S138 WeakPolarHBondContact O-CB 3.32Å; E134-S138 PolarHBondContact O-N 2.99Å; E134-S138 PolarHBondContact O-OG 3.07Å; S136-S138 PolarHBondContact O-N 3.03Å; S138-F140 PolarHBondContact O-N 2.88Å; S138-G141 PolarHBondContact O-N 2.83Å; S138-P144 WeakPolarHBondContact OG-CD 3.41Å |
| 139 | K | 97.7 | Very high | 96.4 | Very high | 140 Ų | 140 | 39.1 Ų | 39.1 | 61% | 0.609 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -58.5 | -30.7 | 176.1 | 176.7 | -177.2 | 177.3 | -175.3 | 0 | 113 | E135 S136 V137 E183 | E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.31Å; E135-K139 PolarHBondContact O-N 2.95Å; S136-K139 WeakPolarHBondContact O-CB 3.45Å; S136-K139 PolarHBondContact O-N 2.85Å; V137-K139 VanDerWaalsContact C-N 3.29Å; V137-K139 PolarHBondContact O-N 2.82Å; K139-E183 IonicContact NZ-OE1 3.02Å; K139-E183 PolarHBondContact NZ-OE1 3.32Å |
| 140 | F | 97.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 15% | 0.154 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 10.4 | 179 | -73.1 | -109.8 | 0 | 0 | 0 | 112.8 | S136 V137 S138 G142 W169 K177 W178 | S136-F140 VanDerWaalsContact O-CD2 3.22Å; S136-F140 WeakPolarHBondContact O-CD2 3.45Å; S136-F140 PolarHBondContact O-N 2.7Å; V137-F140 PolarHBondContact O-N 3.39Å; S138-F140 PolarHBondContact O-N 2.88Å; F140-G142 VanDerWaalsContact C-N 3.3Å; F140-G142 PolarHBondContact O-N 2.83Å; F140-W169 HydrophobicContact CB-CH2 4.29Å; F140-W169 HydrophobicContact CB-CZ3 3.93Å; F140-K177 HydrophobicContact CD1-CB 4.42Å; F140-K177 HydrophobicContact CD1-CD 4.23Å; F140-K177 HydrophobicContact CD1-CG 4.05Å; F140-K177 HydrophobicContact CE1-CD 4.31Å; F140-K177 HydrophobicContact CE1-CG 3.94Å; F140-W178 HydrophobicContact CB-CB 3.92Å; F140-W178 HydrophobicContact CB-CG 4.45Å; F140-W178 HydrophobicContact CD1-CB 3.91Å; F140-W178 HydrophobicContact CD2-CB 4.5Å; F140-W178 AromaticContact CD2-CD1 3.8Å; F140-W178 HydrophobicContact CG-CB 3.87Å; F140-W178 HydrophobicContact CG-CG 4.36Å |
| 141 | G | 96.4 | Very high | 96.3 | Very high | 40 Ų | 40 | 49.2 Ų | 49.2 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V137 S138 P170 | V137-G141 PolarHBondContact O-N 2.79Å; S138-G141 PolarHBondContact O-N 2.83Å; G141-P170 WeakPolarHBondContact O-CD 3.27Å |
| 142 | G | 97.4 | Very high | 96.3 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | trans | -73 | 162 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V137 F140 E168 | V137-G142 PolarHBondContact O-N 2.59Å; V137-G142 VanDerWaalsContact O-N 3.15Å; F140-G142 VanDerWaalsContact C-N 3.3Å; F140-G142 PolarHBondContact O-N 2.83Å; G142-E168 CarbonylContact C-O 3.53Å; G142-E168 VanDerWaalsContact CA-O 3.27Å; G142-E168 WeakPolarHBondContact CA-O 3.4Å | ||
| 143 | V | 97.1 | Very high | 96.2 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 105.4 | 172.5 | -177.5 | 0 | 0 | 0 | 0 | 107.7 | R107 W109 I146 T167 E168 | R107-V143 VanDerWaalsContact NH1-CB 3.33Å; R107-V143 VanDerWaalsContact NH1-CG1 3.27Å; W109-V143 HydrophobicContact CH2-CG2 4.21Å; W109-V143 HydrophobicContact CZ3-CG2 3.94Å; V143-I146 HydrophobicContact CB-CD1 4.12Å; V143-I146 HydrophobicContact CG1-CD1 3.66Å; V143-T167 WeakPolarHBondContact O-CA 3.31Å; V143-E168 HydrophobicContact CB-CB 4.25Å; V143-E168 PolarHBondContact N-O 3.21Å; V143-E168 PolarHBondContact O-N 3.24Å |
| 144 | P | 96.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 159.5 | 178.5 | 31.5 | -34.4 | 0 | 0 | 0 | 110.2 | F133 E134 V137 S138 I146 | F133-P144 HydrophobicContact CD1-CB 4.37Å; F133-P144 HydrophobicContact CE1-CB 4.18Å; E134-P144 HydrophobicContact CB-CG 4.42Å; E134-P144 HydrophobicContact CG-CB 4.3Å; E134-P144 HydrophobicContact CG-CG 3.66Å; V137-P144 HydrophobicContact CB-CB 4.09Å; V137-P144 HydrophobicContact CG1-CB 3.92Å; V137-P144 HydrophobicContact CG1-CG 4.33Å; S138-P144 WeakPolarHBondContact OG-CD 3.41Å; P144-I146 VanDerWaalsContact C-N 3.33Å; P144-I146 PolarHBondContact O-N 3Å |
| 145 | F | 95.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 48 Ų | 48 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 39.2 | 166 | -47.2 | -38.2 | 0 | 0 | 0 | 115.1 | C103 L130 F133 E134 S147 S148 I165 I166 | C103-F145 WeakPolarHBondContact CB-O 3.4Å; L130-F145 HydrophobicContact CB-CZ 4.12Å; L130-F145 HydrophobicContact CD2-CE1 3.85Å; L130-F145 HydrophobicContact CD2-CZ 4.05Å; L130-F145 WeakPolarHBondContact O-CZ 3.4Å; F133-F145 HydrophobicContact CD1-CD1 4.36Å; F133-F145 AromaticContact CD1-CE1 3.52Å; F133-F145 HydrophobicContact CD1-CE1 3.52Å; F133-F145 AromaticContact CD1-CZ 3.88Å; F133-F145 HydrophobicContact CD1-CZ 3.88Å; F133-F145 HydrophobicContact CE1-CD1 4.4Å; F133-F145 AromaticContact CE1-CE1 3.96Å; F133-F145 HydrophobicContact CE1-CE1 3.96Å; E134-F145 HydrophobicContact CB-CD2 4.38Å; E134-F145 HydrophobicContact CB-CE2 3.49Å; E134-F145 VanDerWaalsContact CB-CE2 3.49Å; E134-F145 HydrophobicContact CB-CZ 3.92Å; E134-F145 HydrophobicContact CG-CD2 4.01Å; E134-F145 HydrophobicContact CG-CE2 3.57Å; E134-F145 HydrophobicContact CG-CZ 4.44Å; F145-S147 PolarHBondContact O-N 3.29Å; F145-S148 WeakPolarHBondContact CD1-OG 3.39Å; F145-I165 HydrophobicContact CD1-CG2 4.03Å; F145-I165 HydrophobicContact CE1-CD1 4.21Å; F145-I165 HydrophobicContact CE1-CG2 4.34Å; F145-I166 PolarHBondContact N-O 3.15Å |
| 146 | I | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | -37.6 | 163 | -57.6 | -59.8 | 0 | 0 | 0 | 109.4 | L102 C103 T104 V143 P144 I166 E168 | L102-I146 WeakPolarHBondContact CA-O 3.38Å; L102-I146 HydrophobicContact CD2-CG2 3.73Å; L102-I146 WeakPolarHBondContact CD2-O 3.23Å; C103-I146 PolarHBondContact N-O 2.66Å; T104-I146 VanDerWaalsContact OG1-CD1 3.24Å; T104-I146 WeakPolarHBondContact OG1-CD1 3.41Å; V143-I146 HydrophobicContact CB-CD1 4.12Å; V143-I146 HydrophobicContact CG1-CD1 3.66Å; P144-I146 VanDerWaalsContact C-N 3.33Å; P144-I146 PolarHBondContact O-N 3Å; I146-I166 HydrophobicContact CB-CB 4.35Å; I146-I166 HydrophobicContact CB-CG2 4.33Å; I146-I166 PolarHBondContact N-O 3.49Å; I146-E168 HydrophobicContact CD1-CB 4.12Å; I146-E168 VanDerWaalsContact CD1-CD 3.49Å; I146-E168 HydrophobicContact CD1-CG 4.09Å; I146-E168 WeakPolarHBondContact CD1-OE2 3.38Å; I146-E168 HydrophobicContact CG1-CB 3.84Å; I146-E168 HydrophobicContact CG1-CG 3.7Å |
| 147 | S | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.5 | 157.1 | -173.9 | 0 | 0 | 0 | 0 | 109 | P101 F145 I165 I166 | P101-S147 WeakPolarHBondContact O-CB 3.36Å; P101-S147 PolarHBondContact O-OG 3.21Å; F145-S147 PolarHBondContact O-N 3.29Å; S147-I165 CarbonylContact O-C 3.45Å; S147-I165 WeakPolarHBondContact O-CA 3.5Å; S147-I166 PolarHBondContact O-N 2.92Å |
| 148 | S | 95.5 | Very high | 94.2 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 98.3 | 174.7 | -169.2 | 0 | 0 | 0 | 0 | 108.7 | F145 Y163 L164 | F145-S148 WeakPolarHBondContact CD1-OG 3.39Å; S148-Y163 VanDerWaalsContact C-OH 3.3Å; S148-Y163 PolarHBondContact O-OH 2.77Å; S148-Y163 WeakPolarHBondContact OG-CE1 3.25Å; S148-Y163 PolarHBondContact OG-OH 2.74Å; S148-L164 WeakPolarHBondContact CA-O 3.3Å |
| 149 | T | 94.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 142.9 | -164.1 | -174.1 | 0 | 0 | 0 | 0 | 114 | V100 P101 Y151 I152 Y163 L164 | V100-T149 HydrophobicContact CB-CG2 4.12Å; V100-T149 HydrophobicContact CG1-CG2 4.24Å; P101-T149 HydrophobicContact CG-CG2 4.08Å; T149-Y151 WeakPolarHBondContact OG1-CB 3.38Å; T149-Y151 PolarHBondContact OG1-N 2.97Å; T149-Y151 PolarHBondContact OG1-O 2.83Å; T149-I152 HydrophobicContact CG2-CG1 4.5Å; T149-Y163 WeakPolarHBondContact O-CA 3.41Å; T149-L164 PolarHBondContact N-O 2.82Å; T149-L164 PolarHBondContact O-N 2.82Å |
| 150 | P | 93.6 | Very high | 93 | Very high | 58 Ų | 58 | 52.2 Ų | 52.2 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -85.8 | -12.2 | 161.6 | 35.6 | -32.3 | 0 | 0 | 0 | 112.6 | I152 D162 Y163 | P150-I152 PolarHBondContact O-N 2.9Å; P150-D162 WeakPolarHBondContact CA-O 3.36Å; P150-D162 WeakPolarHBondContact CB-O 3.38Å; P150-Y163 HydrophobicContact CB-CD2 3.88Å; P150-Y163 HydrophobicContact CB-CE2 4.34Å; P150-Y163 HydrophobicContact CG-CD2 4.34Å; P150-Y163 HydrophobicContact CG-CE2 4.31Å |
| 151 | Y | 93.4 | Very high | 92.7 | Very high | 184 Ų | 184 | 51.5 Ų | 51.5 | 72% | 0.722 | 28% | 0.278 | S | S | * | . | trans | -86.5 | 94.1 | -179.4 | -55.2 | -73.1 | 0 | 0 | 0 | 109.6 | P101 T149 | P101-Y151 WeakPolarHBondContact CD-O 3.48Å; T149-Y151 WeakPolarHBondContact OG1-CB 3.38Å; T149-Y151 PolarHBondContact OG1-N 2.97Å; T149-Y151 PolarHBondContact OG1-O 2.83Å | ||
| 152 | I | 94.8 | Very high | 92.5 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -120.2 | 112.9 | -179.5 | -54.1 | 169.1 | 0 | 0 | 0 | 107.3 | W98 V100 T149 P150 V154 I161 L164 | W98-I152 HydrophobicContact CB-CG2 3.93Å; W98-I152 HydrophobicContact CG-CG2 4.22Å; V100-I152 HydrophobicContact CG1-CB 4.41Å; V100-I152 HydrophobicContact CG1-CG1 4.05Å; V100-I152 HydrophobicContact CG1-CG2 4.07Å; T149-I152 HydrophobicContact CG2-CG1 4.5Å; P150-I152 PolarHBondContact O-N 2.9Å; I152-V154 HydrophobicContact CG2-CG2 4.29Å; I152-I161 HydrophobicContact CD1-CB 3.66Å; I152-I161 HydrophobicContact CD1-CG2 3.32Å; I152-L164 HydrophobicContact CD1-CB 3.65Å; I152-L164 HydrophobicContact CG1-CB 4.28Å | ||
| 153 | E | 94.9 | Very high | 92.4 | Very high | 74 Ų | 74 | 54 Ų | 54 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.9 | 170.6 | -53.3 | -179.7 | 178.8 | 0 | 0 | 108.9 | Q77 W98 I99 P155 | Q77-E153 PolarHBondContact NE2-OE2 3.49Å; W98-E153 CarbonylContact C-O 3.51Å; W98-E153 VanDerWaalsContact CA-O 3.31Å; W98-E153 WeakPolarHBondContact CA-O 3.33Å; I99-E153 HydrophobicContact CB-CB 4.13Å; I99-E153 PolarHBondContact N-O 2.86Å; I99-E153 PolarHBondContact O-N 3.3Å; E153-P155 VanDerWaalsContact C-CD 3.44Å; E153-P155 VanDerWaalsContact O-CD 3.23Å; E153-P155 WeakPolarHBondContact O-CD 3.41Å |
| 154 | V | 93.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 81.4 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | I152 R156 | I152-V154 HydrophobicContact CG2-CG2 4.29Å; V154-R156 PolarHBondContact O-N 3.27Å |
| 155 | P | 89.8 | Confident | 92.3 | Very high | 66 Ų | 66 | 52.1 Ų | 52.1 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | -29.3 | 175.5 | -25.8 | 33.2 | 0 | 0 | 0 | 114 | L80 I97 I99 E153 | L80-P155 HydrophobicContact CD1-CB 4.04Å; L80-P155 HydrophobicContact CD1-CG 3.86Å; I97-P155 HydrophobicContact CG2-CB 4.47Å; I97-P155 HydrophobicContact CG2-CG 4.32Å; I97-P155 VanDerWaalsContact O-CD 3.3Å; I97-P155 WeakPolarHBondContact O-CD 3.11Å; I99-P155 HydrophobicContact CD1-CG 3.65Å; I99-P155 HydrophobicContact CG1-CG 3.89Å; E153-P155 VanDerWaalsContact C-CD 3.44Å; E153-P155 VanDerWaalsContact O-CD 3.23Å; E153-P155 WeakPolarHBondContact O-CD 3.41Å |
| 156 | R | 89.7 | Confident | 92.4 | Very high | 34 Ų | 34 | 50.6 Ų | 50.6 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 137.2 | 179.1 | -174.9 | -178.6 | -66.3 | -173.7 | 4.8 | 109.4 | V86 R87 Q88 H89 W91 A95 I97 V154 | V86-R156 PolarHBondContact O-NH2 3.39Å; R87-R156 PolarHBondContact O-NH2 3.41Å; Q88-R156 PolarHBondContact O-NH1 2.9Å; Q88-R156 PolarHBondContact O-NH2 3Å; H89-R156 PolarHBondContact O-NH1 2.68Å; W91-R156 PolarHBondContact O-NH1 2.91Å; A95-R156 WeakPolarHBondContact O-CD 3.45Å; A95-R156 VanDerWaalsContact O-CG 3.26Å; A95-R156 WeakPolarHBondContact O-CG 3.22Å; I97-R156 HydrophobicContact CB-CB 4.09Å; I97-R156 HydrophobicContact CD1-CB 3.98Å; I97-R156 HydrophobicContact CG1-CB 4Å; I97-R156 PolarHBondContact N-O 3.49Å; V154-R156 PolarHBondContact O-N 3.27Å |
| 157 | G | 87.6 | Confident | 92.5 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | trans | 123.6 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E96 | E96-G157 VanDerWaalsContact OE1-CA 3.25Å; E96-G157 WeakPolarHBondContact OE1-CA 3.36Å; E96-G157 WeakPolarHBondContact OE2-CA 2.98Å | ||
| 158 | L | 83.9 | Confident | 92.6 | Very high | 162 Ų | 162 | 50.6 Ų | 50.6 | 85% | 0.848 | 26% | 0.261 | S | S | * | . | trans | -122.8 | -5.2 | -179.3 | -62.5 | 175.9 | 0 | 0 | 0 | 112.5 | E96 E160 | E96-L158 PolarHBondContact OE1-N 3.14Å; E96-L158 PolarHBondContact OE2-N 3.36Å; L158-E160 PolarHBondContact O-N 3.03Å; L158-E160 VanDerWaalsContact O-N 3.13Å | ||
| 159 | K | 84.7 | Confident | 92.7 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | trans | -71.1 | 112.1 | -177.1 | -169.2 | 175.2 | -176.5 | 173.6 | 0 | 110.1 | E96 W98 L116 I161 | E96-K159 WeakPolarHBondContact OE2-CB 3.26Å; E96-K159 PolarHBondContact OE2-N 3.46Å; W98-K159 HydrophobicContact CH2-CD 4.3Å; W98-K159 HydrophobicContact CZ2-CB 4.34Å; W98-K159 HydrophobicContact CZ2-CD 3.91Å; L116-K159 HydrophobicContact CD1-CD 4.44Å; K159-I161 HydrophobicContact CD-CD1 4.44Å; K159-I161 HydrophobicContact CD-CG1 4.36Å; K159-I161 HydrophobicContact CG-CD1 4.5Å; K159-I161 HydrophobicContact CG-CG1 4.1Å | ||
| 160 | E | 85.6 | Confident | 92.7 | Very high | 162 Ų | 162 | 51.3 Ų | 51.3 | 76% | 0.757 | 27% | 0.265 | S | S | * | . | trans | -72.3 | 126.7 | 168.7 | -65.6 | -180 | 172.2 | 0 | 0 | 109.3 | N118 L158 | N118-E160 PolarHBondContact ND2-O 2.95Å; N118-E160 VanDerWaalsContact ND2-O 3.09Å; N118-E160 PolarHBondContact OD1-O 3.43Å; L158-E160 PolarHBondContact O-N 3.03Å; L158-E160 VanDerWaalsContact O-N 3.13Å | ||
| 161 | I | 92 | Very high | 92.8 | Very high | 20 Ų | 20 | 51.5 Ų | 51.5 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | trans | -131.3 | 119.6 | 177.9 | -56.3 | 162.8 | 0 | 0 | 0 | 106.8 | W98 L116 N118 I152 K159 Y163 L164 | W98-I161 HydrophobicContact CD2-CD1 3.78Å; W98-I161 VanDerWaalsContact CE2-CD1 3.47Å; W98-I161 HydrophobicContact CE3-CD1 4.15Å; W98-I161 HydrophobicContact CG-CD1 4.38Å; W98-I161 HydrophobicContact CH2-CD1 3.97Å; W98-I161 HydrophobicContact CZ2-CD1 3.6Å; W98-I161 HydrophobicContact CZ3-CD1 4.23Å; L116-I161 HydrophobicContact CB-CG2 4.31Å; L116-I161 HydrophobicContact CD1-CD1 4.26Å; L116-I161 HydrophobicContact CD2-CD1 4.1Å; L116-I161 HydrophobicContact CD2-CG2 4.4Å; N118-I161 VanDerWaalsContact OD1-CA 3.31Å; N118-I161 WeakPolarHBondContact OD1-CA 3.23Å; I152-I161 HydrophobicContact CD1-CB 3.66Å; I152-I161 HydrophobicContact CD1-CG2 3.32Å; K159-I161 HydrophobicContact CD-CD1 4.44Å; K159-I161 HydrophobicContact CD-CG1 4.36Å; K159-I161 HydrophobicContact CG-CD1 4.5Å; K159-I161 HydrophobicContact CG-CG1 4.1Å; I161-Y163 VanDerWaalsContact CG2-O 3.26Å; I161-Y163 WeakPolarHBondContact CG2-O 3.21Å; I161-L164 HydrophobicContact CG2-CB 4.42Å | ||
| 162 | D | 92.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 45.9 Ų | 45.9 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -84.4 | -29.2 | 179.8 | -67.1 | -31.2 | 0 | 0 | 0 | 112 | F117 N118 S119 I120 P150 | F117-D162 PolarHBondContact O-N 3.49Å; N118-D162 PolarHBondContact OD1-N 3.41Å; S119-D162 WeakPolarHBondContact CA-OD2 3.44Å; S119-D162 PolarHBondContact N-OD2 3.34Å; I120-D162 HydrophobicContact CD1-CB 4.03Å; I120-D162 HydrophobicContact CG1-CB 4.31Å; P150-D162 WeakPolarHBondContact CA-O 3.36Å; P150-D162 WeakPolarHBondContact CB-O 3.38Å |
| 163 | Y | 94.4 | Very high | 93 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 8% | 0.075 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 145.9 | 176.6 | -156.2 | -82.8 | 0 | 0 | 0 | 111.3 | F117 I120 F125 L130 S148 T149 P150 I161 I165 | F117-Y163 HydrophobicContact CD2-CD1 4.44Å; F117-Y163 WeakPolarHBondContact CD2-O 3.34Å; F117-Y163 PolarHBondContact N-O 2.87Å; F117-Y163 PolarHBondContact O-N 3.38Å; I120-Y163 HydrophobicContact CD1-CG 4.2Å; F125-Y163 HydrophobicContact CD1-CD2 4.48Å; F125-Y163 AromaticContact CE1-CD1 3.52Å; F125-Y163 HydrophobicContact CE1-CD1 3.52Å; F125-Y163 AromaticContact CE1-CD2 3.88Å; F125-Y163 HydrophobicContact CE1-CD2 3.88Å; F125-Y163 AromaticContact CE1-CE1 3.66Å; F125-Y163 HydrophobicContact CE1-CE1 3.66Å; F125-Y163 AromaticContact CE1-CE2 4Å; F125-Y163 HydrophobicContact CE1-CE2 4Å; F125-Y163 AromaticContact CE1-CG 3.64Å; F125-Y163 HydrophobicContact CE1-CG 3.64Å; F125-Y163 AromaticContact CE1-CZ 3.9Å; F125-Y163 AromaticContact CZ-CD1 3.75Å; F125-Y163 HydrophobicContact CZ-CD1 3.75Å; F125-Y163 HydrophobicContact CZ-CE1 4.11Å; F125-Y163 HydrophobicContact CZ-CG 4.13Å; L130-Y163 HydrophobicContact CD2-CE1 4.42Å; S148-Y163 VanDerWaalsContact C-OH 3.3Å; S148-Y163 PolarHBondContact O-OH 2.77Å; S148-Y163 WeakPolarHBondContact OG-CE1 3.25Å; S148-Y163 PolarHBondContact OG-OH 2.74Å; T149-Y163 WeakPolarHBondContact O-CA 3.41Å; P150-Y163 HydrophobicContact CB-CD2 3.88Å; P150-Y163 HydrophobicContact CB-CE2 4.34Å; P150-Y163 HydrophobicContact CG-CD2 4.34Å; P150-Y163 HydrophobicContact CG-CE2 4.31Å; I161-Y163 VanDerWaalsContact CG2-O 3.26Å; I161-Y163 WeakPolarHBondContact CG2-O 3.21Å; Y163-I165 HydrophobicContact CD1-CG1 3.92Å; Y163-I165 HydrophobicContact CE1-CD1 4.27Å; Y163-I165 HydrophobicContact CE1-CG1 3.69Å |
| 164 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.5 | 178.3 | -176.2 | 152.8 | 0 | 0 | 0 | 110.1 | I15 W98 V100 S115 L116 S148 T149 I152 I161 I166 | I15-L164 HydrophobicContact CD1-CD1 3.92Å; I15-L164 HydrophobicContact CD1-CD2 4.48Å; W98-L164 HydrophobicContact CE3-CD1 4.34Å; V100-L164 HydrophobicContact CG1-CD1 4.13Å; V100-L164 HydrophobicContact CG1-CD2 4.26Å; V100-L164 HydrophobicContact CG2-CD2 4.35Å; S115-L164 WeakPolarHBondContact O-CA 3.23Å; L116-L164 HydrophobicContact CD2-CB 4.37Å; L116-L164 HydrophobicContact CD2-CD1 3.39Å; L116-L164 HydrophobicContact CD2-CG 3.75Å; S148-L164 WeakPolarHBondContact CA-O 3.3Å; T149-L164 PolarHBondContact N-O 2.82Å; T149-L164 PolarHBondContact O-N 2.82Å; I152-L164 HydrophobicContact CD1-CB 3.65Å; I152-L164 HydrophobicContact CG1-CB 4.28Å; I161-L164 HydrophobicContact CG2-CB 4.42Å; L164-I166 HydrophobicContact CD2-CD1 3.91Å; L164-I166 HydrophobicContact CD2-CG1 3.41Å; L164-I166 VanDerWaalsContact CD2-CG1 3.41Å |
| 165 | I | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.7 | 170.2 | -61.9 | 172.8 | 0 | 0 | 0 | 109.1 | S115 F117 F125 Y129 L130 F133 F145 S147 Y163 | S115-I165 PolarHBondContact N-O 2.87Å; S115-I165 PolarHBondContact O-N 2.9Å; F117-I165 HydrophobicContact CE2-CB 4.09Å; F117-I165 HydrophobicContact CE2-CD1 3.58Å; F117-I165 HydrophobicContact CE2-CG1 3.78Å; F117-I165 HydrophobicContact CZ-CD1 3.88Å; F125-I165 HydrophobicContact CZ-CD1 4.05Å; Y129-I165 HydrophobicContact CE1-CD1 4.22Å; L130-I165 HydrophobicContact CD2-CD1 3.61Å; F133-I165 HydrophobicContact CE1-CG2 3.79Å; F133-I165 HydrophobicContact CZ-CG2 3.95Å; F145-I165 HydrophobicContact CD1-CG2 4.03Å; F145-I165 HydrophobicContact CE1-CD1 4.21Å; F145-I165 HydrophobicContact CE1-CG2 4.34Å; S147-I165 CarbonylContact O-C 3.45Å; S147-I165 WeakPolarHBondContact O-CA 3.5Å; Y163-I165 HydrophobicContact CD1-CG1 3.92Å; Y163-I165 HydrophobicContact CE1-CD1 4.27Å; Y163-I165 HydrophobicContact CE1-CG1 3.69Å |
| 166 | I | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.6 | 166.6 | -50.3 | -178.8 | 0 | 0 | 0 | 108.7 | L13 I15 V100 L112 Q113 L114 F145 I146 S147 L164 | L13-I166 HydrophobicContact CD2-CD1 3.51Å; I15-I166 HydrophobicContact CD1-CD1 3.92Å; V100-I166 HydrophobicContact CG2-CD1 4.17Å; L112-I166 HydrophobicContact CD2-CG2 4.34Å; Q113-I166 WeakPolarHBondContact O-CA 3.31Å; L114-I166 HydrophobicContact CD1-CG2 4.32Å; L114-I166 HydrophobicContact CG-CG1 4.41Å; F145-I166 PolarHBondContact N-O 3.15Å; I146-I166 HydrophobicContact CB-CB 4.35Å; I146-I166 HydrophobicContact CB-CG2 4.33Å; I146-I166 PolarHBondContact N-O 3.49Å; S147-I166 PolarHBondContact O-N 2.92Å; L164-I166 HydrophobicContact CD2-CD1 3.91Å; L164-I166 HydrophobicContact CD2-CG1 3.41Å; L164-I166 VanDerWaalsContact CD2-CG1 3.41Å |
| 167 | T | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.3 | 175.1 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | L112 Q113 F133 V137 V143 W169 | L112-T167 CarbonylContact C-O 3.57Å; L112-T167 WeakPolarHBondContact CA-O 3.33Å; Q113-T167 PolarHBondContact N-O 3.36Å; Q113-T167 PolarHBondContact O-N 3.15Å; F133-T167 WeakPolarHBondContact CE1-OG1 3.3Å; F133-T167 WeakPolarHBondContact CZ-OG1 3.45Å; V137-T167 HydrophobicContact CG1-CG2 3.45Å; V137-T167 VanDerWaalsContact CG1-CG2 3.45Å; V137-T167 HydrophobicContact CG2-CG2 4.35Å; V143-T167 WeakPolarHBondContact O-CA 3.31Å; T167-W169 HydrophobicContact CG2-CD2 4.46Å; T167-W169 HydrophobicContact CG2-CZ2 4.01Å |
| 168 | E | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.7 | 174.1 | -96.1 | 169.7 | -160 | 0 | 0 | 111 | I106 R107 W109 L112 G142 V143 I146 | I106-E168 WeakPolarHBondContact CA-OE1 3.48Å; I106-E168 WeakPolarHBondContact CG1-OE1 2.97Å; R107-E168 WeakPolarHBondContact CB-OE2 3.47Å; R107-E168 VanDerWaalsContact CG-OE2 3.27Å; R107-E168 WeakPolarHBondContact CG-OE2 3.4Å; R107-E168 PolarHBondContact N-OE1 3.37Å; R107-E168 PolarHBondContact N-OE2 2.81Å; R107-E168 VanDerWaalsContact N-OE2 3.14Å; R107-E168 IonicContact NH1-OE2 3.91Å; R107-E168 PolarHBondContact NH1-OE2 3.05Å; W109-E168 HydrophobicContact CE3-CB 4.06Å; W109-E168 HydrophobicContact CZ3-CB 4.5Å; L112-E168 HydrophobicContact CD2-CB 4.4Å; L112-E168 HydrophobicContact CD2-CG 3.27Å; G142-E168 CarbonylContact C-O 3.53Å; G142-E168 VanDerWaalsContact CA-O 3.27Å; G142-E168 WeakPolarHBondContact CA-O 3.4Å; V143-E168 HydrophobicContact CB-CB 4.25Å; V143-E168 PolarHBondContact N-O 3.21Å; V143-E168 PolarHBondContact O-N 3.24Å; I146-E168 HydrophobicContact CD1-CB 4.12Å; I146-E168 VanDerWaalsContact CD1-CD 3.49Å; I146-E168 HydrophobicContact CD1-CG 4.09Å; I146-E168 WeakPolarHBondContact CD1-OE2 3.38Å; I146-E168 HydrophobicContact CG1-CB 3.84Å; I146-E168 HydrophobicContact CG1-CG 3.7Å |
| 169 | W | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.7 | 174.8 | -64.8 | 99.9 | 0 | 0 | 0 | 110.9 | Y111 V137 F140 T167 D171 W178 | Y111-W169 PolarHBondContact O-N 3.27Å; V137-W169 HydrophobicContact CB-CH2 4.43Å; V137-W169 HydrophobicContact CG1-CH2 4.05Å; V137-W169 HydrophobicContact CG1-CZ2 4.18Å; V137-W169 HydrophobicContact CG2-CH2 4.35Å; V137-W169 HydrophobicContact CG2-CZ2 4.24Å; F140-W169 HydrophobicContact CB-CH2 4.29Å; F140-W169 HydrophobicContact CB-CZ3 3.93Å; T167-W169 HydrophobicContact CG2-CD2 4.46Å; T167-W169 HydrophobicContact CG2-CZ2 4.01Å; W169-D171 VanDerWaalsContact C-N 3.28Å; W169-D171 PolarHBondContact O-N 3.24Å; W169-W178 HydrophobicContact CH2-CB 3.33Å; W169-W178 AromaticContact CH2-CD2 3.67Å; W169-W178 HydrophobicContact CH2-CD2 3.67Å; W169-W178 AromaticContact CH2-CE3 3.99Å; W169-W178 HydrophobicContact CH2-CE3 3.99Å; W169-W178 AromaticContact CH2-CG 3.38Å; W169-W178 HydrophobicContact CH2-CG 3.38Å; W169-W178 HydrophobicContact CZ2-CB 4Å; W169-W178 AromaticContact CZ2-CD2 3.65Å; W169-W178 HydrophobicContact CZ2-CD2 3.65Å; W169-W178 AromaticContact CZ2-CE3 3.49Å; W169-W178 HydrophobicContact CZ2-CE3 3.49Å; W169-W178 VanDerWaalsContact CZ2-CE3 3.49Å; W169-W178 AromaticContact CZ2-CG 3.88Å; W169-W178 HydrophobicContact CZ2-CG 3.88Å; W169-W178 HydrophobicContact CZ2-CZ3 4.26Å; W169-W178 HydrophobicContact CZ3-CB 3.92Å; W169-W178 HydrophobicContact CZ3-CG 4.38Å |
| 170 | P | 95.9 | Very high | 95.4 | Very high | 41 Ų | 41 | 47.8 Ų | 47.8 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -67 | -34 | 179.1 | 25.4 | -32.6 | 0 | 0 | 0 | 112.1 | W109 G141 | W109-P170 HydrophobicContact CD2-CB 4.21Å; W109-P170 VanDerWaalsContact CE3-CA 3.48Å; W109-P170 HydrophobicContact CE3-CB 4.13Å; W109-P170 VanDerWaalsContact CE3-N 3.28Å; W109-P170 HydrophobicContact CH2-CB 3.77Å; W109-P170 HydrophobicContact CH2-CG 4.27Å; W109-P170 HydrophobicContact CZ2-CB 3.86Å; W109-P170 HydrophobicContact CZ3-CB 3.91Å; W109-P170 HydrophobicContact CZ3-CG 4.26Å; G141-P170 WeakPolarHBondContact O-CD 3.27Å |
| 171 | D | 95.9 | Very high | 95.9 | Very high | 63 Ų | 63 | 40.7 Ų | 40.7 | 34% | 0.337 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -154 | 165.2 | -178.3 | 50.6 | 68 | 0 | 0 | 0 | 110.7 | W169 D173 S174 S175 | W169-D171 VanDerWaalsContact C-N 3.28Å; W169-D171 PolarHBondContact O-N 3.24Å; D171-D173 VanDerWaalsContact C-N 3.32Å; D171-D173 PolarHBondContact O-N 2.81Å; D171-D173 PolarHBondContact OD1-N 2.69Å; D171-S174 VanDerWaalsContact OD1-CB 3.22Å; D171-S174 WeakPolarHBondContact OD1-CB 3.34Å; D171-S174 PolarHBondContact OD1-N 3.43Å; D171-S174 PolarHBondContact OD1-OG 3.38Å; D171-S174 PolarHBondContact OD2-OG 3.31Å; D171-S175 PolarHBondContact O-N 2.78Å |
| 172 | E | 95.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 178 | -170.5 | 178.5 | -169.7 | 0 | 0 | 111.8 | Y111 S174 S175 L176 L201 | Y111-E172 HydrophobicContact CD1-CB 4.21Å; Y111-E172 HydrophobicContact CE1-CB 3.64Å; Y111-E172 HydrophobicContact CE1-CG 4.33Å; E172-S174 VanDerWaalsContact C-N 3.35Å; E172-S174 PolarHBondContact O-N 2.96Å; E172-S175 WeakPolarHBondContact O-CB 3.43Å; E172-S175 PolarHBondContact O-N 3.32Å; E172-L176 HydrophobicContact CG-CD1 3.8Å; E172-L176 HydrophobicContact CG-CG 4.03Å; E172-L176 WeakPolarHBondContact O-CB 3.04Å; E172-L176 WeakPolarHBondContact O-CG 3.2Å; E172-L176 PolarHBondContact O-N 3.36Å; E172-L201 HydrophobicContact CG-CD2 4.46Å |
| 173 | D | 96.5 | Very high | 96.3 | Very high | 126 Ų | 126 | 43.9 Ų | 43.9 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -60.9 | -42.8 | -176.9 | -77.9 | -32.8 | 0 | 0 | 0 | 111.9 | D171 L176 K177 | D171-D173 VanDerWaalsContact C-N 3.32Å; D171-D173 PolarHBondContact O-N 2.81Å; D171-D173 PolarHBondContact OD1-N 2.69Å; D173-L176 PolarHBondContact O-N 3.05Å; D173-K177 WeakPolarHBondContact O-CB 3.46Å; D173-K177 PolarHBondContact O-N 3.06Å |
| 174 | S | 97.4 | Very high | 96.3 | Very high | 26 Ų | 26 | 43 Ų | 43 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 177.1 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | D171 E172 K177 W178 | D171-S174 VanDerWaalsContact OD1-CB 3.22Å; D171-S174 WeakPolarHBondContact OD1-CB 3.34Å; D171-S174 PolarHBondContact OD1-N 3.43Å; D171-S174 PolarHBondContact OD1-OG 3.38Å; D171-S174 PolarHBondContact OD2-OG 3.31Å; E172-S174 VanDerWaalsContact C-N 3.35Å; E172-S174 PolarHBondContact O-N 2.96Å; S174-K177 PolarHBondContact O-N 3.21Å; S174-W178 PolarHBondContact O-N 3.47Å |
| 175 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -49.4 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | D171 E172 K177 W178 N179 L201 | D171-S175 PolarHBondContact O-N 2.78Å; E172-S175 WeakPolarHBondContact O-CB 3.43Å; E172-S175 PolarHBondContact O-N 3.32Å; S175-K177 PolarHBondContact O-N 2.91Å; S175-W178 PolarHBondContact O-N 3.03Å; S175-N179 WeakPolarHBondContact O-CB 3.4Å; S175-N179 PolarHBondContact O-N 3.04Å; S175-N179 PolarHBondContact O-ND2 3.26Å; S175-N179 PolarHBondContact OG-ND2 3.19Å; S175-L201 WeakPolarHBondContact OG-CD1 3.39Å; S175-L201 WeakPolarHBondContact OG-CD2 3.09Å |
| 176 | L | 95.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | -178.8 | -69.7 | -179.2 | 0 | 0 | 0 | 111.9 | E172 D173 N179 R180 | E172-L176 HydrophobicContact CG-CD1 3.8Å; E172-L176 HydrophobicContact CG-CG 4.03Å; E172-L176 WeakPolarHBondContact O-CB 3.04Å; E172-L176 WeakPolarHBondContact O-CG 3.2Å; E172-L176 PolarHBondContact O-N 3.36Å; D173-L176 PolarHBondContact O-N 3.05Å; L176-N179 PolarHBondContact O-N 3.33Å; L176-R180 WeakPolarHBondContact O-CB 3.36Å; L176-R180 VanDerWaalsContact O-CG 3.27Å; L176-R180 WeakPolarHBondContact O-CG 3.45Å; L176-R180 PolarHBondContact O-N 2.97Å |
| 177 | K | 97 | Very high | 96 | Very high | 146 Ų | 146 | 52.4 Ų | 52.4 | 64% | 0.635 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.8 | -42.4 | 176.9 | -173.5 | -175.3 | 172.9 | -177.8 | 0 | 111.2 | F140 D173 S174 S175 S181 | F140-K177 HydrophobicContact CD1-CB 4.42Å; F140-K177 HydrophobicContact CD1-CD 4.23Å; F140-K177 HydrophobicContact CD1-CG 4.05Å; F140-K177 HydrophobicContact CE1-CD 4.31Å; F140-K177 HydrophobicContact CE1-CG 3.94Å; D173-K177 WeakPolarHBondContact O-CB 3.46Å; D173-K177 PolarHBondContact O-N 3.06Å; S174-K177 PolarHBondContact O-N 3.21Å; S175-K177 PolarHBondContact O-N 2.91Å; K177-S181 PolarHBondContact O-N 3.4Å |
| 178 | W | 97.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 173.1 | 174.9 | 78.4 | 0 | 0 | 0 | 111.4 | Q113 F133 S136 V137 F140 W169 S174 S175 R180 S181 A184 L187 | Q113-W178 VanDerWaalsContact NE2-CZ3 3.27Å; F133-W178 HydrophobicContact CD2-CH2 4.35Å; F133-W178 HydrophobicContact CD2-CZ2 4.1Å; F133-W178 AromaticContact CE2-CH2 3.7Å; F133-W178 HydrophobicContact CE2-CH2 3.7Å; F133-W178 AromaticContact CE2-CZ2 3.83Å; F133-W178 HydrophobicContact CE2-CZ2 3.83Å; F133-W178 HydrophobicContact CZ-CH2 4.47Å; S136-W178 PolarHBondContact OG-NE1 2.82Å; V137-W178 HydrophobicContact CG2-CD2 4.41Å; V137-W178 HydrophobicContact CG2-CH2 4.48Å; V137-W178 HydrophobicContact CG2-CZ2 3.8Å; F140-W178 HydrophobicContact CB-CB 3.92Å; F140-W178 HydrophobicContact CB-CG 4.45Å; F140-W178 HydrophobicContact CD1-CB 3.91Å; F140-W178 HydrophobicContact CD2-CB 4.5Å; F140-W178 AromaticContact CD2-CD1 3.8Å; F140-W178 HydrophobicContact CG-CB 3.87Å; F140-W178 HydrophobicContact CG-CG 4.36Å; W169-W178 HydrophobicContact CH2-CB 3.33Å; W169-W178 AromaticContact CH2-CD2 3.67Å; W169-W178 HydrophobicContact CH2-CD2 3.67Å; W169-W178 AromaticContact CH2-CE3 3.99Å; W169-W178 HydrophobicContact CH2-CE3 3.99Å; W169-W178 AromaticContact CH2-CG 3.38Å; W169-W178 HydrophobicContact CH2-CG 3.38Å; W169-W178 HydrophobicContact CZ2-CB 4Å; W169-W178 AromaticContact CZ2-CD2 3.65Å; W169-W178 HydrophobicContact CZ2-CD2 3.65Å; W169-W178 AromaticContact CZ2-CE3 3.49Å; W169-W178 HydrophobicContact CZ2-CE3 3.49Å; W169-W178 VanDerWaalsContact CZ2-CE3 3.49Å; W169-W178 AromaticContact CZ2-CG 3.88Å; W169-W178 HydrophobicContact CZ2-CG 3.88Å; W169-W178 HydrophobicContact CZ2-CZ3 4.26Å; W169-W178 HydrophobicContact CZ3-CB 3.92Å; W169-W178 HydrophobicContact CZ3-CG 4.38Å; S174-W178 PolarHBondContact O-N 3.47Å; S175-W178 PolarHBondContact O-N 3.03Å; W178-R180 PolarHBondContact O-N 2.8Å; W178-R180 VanDerWaalsContact O-N 3.11Å; W178-S181 WeakPolarHBondContact O-CB 3.41Å; W178-S181 PolarHBondContact O-N 2.99Å; W178-S181 PolarHBondContact O-OG 3.24Å; W178-A184 HydrophobicContact CD2-CB 4.25Å; W178-A184 HydrophobicContact CZ2-CB 4.22Å; W178-A184 WeakPolarHBondContact O-CB 3.49Å; W178-L187 HydrophobicContact CZ2-CD1 4.18Å |
| 179 | N | 95.4 | Very high | 95.5 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.9 | -30.4 | -178.5 | -85.2 | -74 | 0 | 0 | 0 | 113.5 | L55 Q113 S175 L176 R188 | L55-N179 WeakPolarHBondContact CD1-ND2 3.34Å; L55-N179 HydrophobicContact CD2-CB 4.39Å; Q113-N179 PolarHBondContact OE1-ND2 2.82Å; S175-N179 WeakPolarHBondContact O-CB 3.4Å; S175-N179 PolarHBondContact O-N 3.04Å; S175-N179 PolarHBondContact O-ND2 3.26Å; S175-N179 PolarHBondContact OG-ND2 3.19Å; L176-N179 PolarHBondContact O-N 3.33Å; N179-R188 PolarHBondContact O-NH1 3.16Å; N179-R188 PolarHBondContact O-NH2 3.19Å |
| 180 | R | 95.2 | Very high | 95.1 | Very high | 198 Ų | 198 | 62.2 Ų | 62.2 | 75% | 0.747 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -0.2 | 176.2 | -64.7 | 173.3 | -175.1 | 168.3 | 4.8 | 114.1 | L176 W178 | L176-R180 WeakPolarHBondContact O-CB 3.36Å; L176-R180 VanDerWaalsContact O-CG 3.27Å; L176-R180 WeakPolarHBondContact O-CG 3.45Å; L176-R180 PolarHBondContact O-N 2.97Å; W178-R180 PolarHBondContact O-N 2.8Å; W178-R180 VanDerWaalsContact O-N 3.11Å |
| 181 | S | 96.7 | Very high | 94.7 | Very high | 14 Ų | 14 | 60.5 Ų | 60.5 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75 | 161.3 | 179.9 | 73.8 | 0 | 0 | 0 | 0 | 111.9 | K177 W178 E183 A184 E185 | K177-S181 PolarHBondContact O-N 3.4Å; W178-S181 WeakPolarHBondContact O-CB 3.41Å; W178-S181 PolarHBondContact O-N 2.99Å; W178-S181 PolarHBondContact O-OG 3.24Å; S181-E183 VanDerWaalsContact C-N 3.28Å; S181-E183 WeakPolarHBondContact CB-OE2 3Å; S181-A184 PolarHBondContact O-N 3.22Å; S181-A184 PolarHBondContact OG-N 3.33Å; S181-A184 VanDerWaalsContact OG-N 3.13Å; S181-E185 PolarHBondContact O-N 2.99Å |
| 182 | H | 96.3 | Very high | 94.3 | Very high | 115 Ų | 115 | 62.7 Ų | 62.7 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 173.2 | -175.3 | 55 | 0 | 0 | 0 | 111.2 | A184 E185 E186 | H182-A184 PolarHBondContact O-N 3.4Å; H182-E185 IonicContact ND1-OE2 3.82Å; H182-E185 WeakPolarHBondContact O-CB 3.41Å; H182-E185 PolarHBondContact O-N 3.22Å; H182-E185 VanDerWaalsContact O-N 3.14Å; H182-E186 IonicContact CD2-OE1 3.89Å; H182-E186 IonicContact NE2-OE1 3.31Å; H182-E186 PolarHBondContact NE2-OE1 3.23Å; H182-E186 WeakPolarHBondContact O-CG 3.15Å; H182-E186 PolarHBondContact O-N 2.88Å |
| 183 | E | 95.6 | Very high | 93.7 | Very high | 49 Ų | 49 | 64 Ų | 64 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 179.4 | -62.6 | 91.3 | 147 | 0 | 0 | 112.3 | S136 K139 S181 E185 E186 L187 | S136-E183 VanDerWaalsContact OG-CB 3.23Å; S136-E183 WeakPolarHBondContact OG-CB 3.44Å; K139-E183 IonicContact NZ-OE1 3.02Å; K139-E183 PolarHBondContact NZ-OE1 3.32Å; S181-E183 VanDerWaalsContact C-N 3.28Å; S181-E183 WeakPolarHBondContact CB-OE2 3Å; E183-E185 VanDerWaalsContact C-N 3.35Å; E183-E186 PolarHBondContact O-N 2.94Å; E183-L187 WeakPolarHBondContact O-CG 3.35Å; E183-L187 PolarHBondContact O-N 3.19Å |
| 184 | A | 95 | Very high | 93 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.6 | -33.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W178 S181 H182 L187 R188 | W178-A184 HydrophobicContact CD2-CB 4.25Å; W178-A184 HydrophobicContact CZ2-CB 4.22Å; W178-A184 WeakPolarHBondContact O-CB 3.49Å; S181-A184 PolarHBondContact O-N 3.22Å; S181-A184 PolarHBondContact OG-N 3.33Å; S181-A184 VanDerWaalsContact OG-N 3.13Å; H182-A184 PolarHBondContact O-N 3.4Å; A184-L187 PolarHBondContact O-N 3.48Å; A184-R188 WeakPolarHBondContact O-CG 3.32Å; A184-R188 PolarHBondContact O-N 3.36Å |
| 185 | E | 94.1 | Very high | 92.4 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 173.3 | -173.6 | -177.9 | -168.2 | 0 | 0 | 111.9 | S181 H182 E183 L187 R188 N189 | S181-E185 PolarHBondContact O-N 2.99Å; H182-E185 IonicContact ND1-OE2 3.82Å; H182-E185 WeakPolarHBondContact O-CB 3.41Å; H182-E185 PolarHBondContact O-N 3.22Å; H182-E185 VanDerWaalsContact O-N 3.14Å; E183-E185 VanDerWaalsContact C-N 3.35Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.93Å; E185-R188 PolarHBondContact O-N 2.71Å; E185-N189 WeakPolarHBondContact O-CB 3.48Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.04Å; E185-N189 PolarHBondContact O-ND2 3Å |
| 186 | E | 94.5 | Very high | 91.9 | Very high | 97 Ų | 97 | 66 Ų | 66 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 174.1 | -72 | -170.9 | 150.3 | 0 | 0 | 112.1 | H182 E183 N189 M190 | H182-E186 IonicContact CD2-OE1 3.89Å; H182-E186 IonicContact NE2-OE1 3.31Å; H182-E186 PolarHBondContact NE2-OE1 3.23Å; H182-E186 WeakPolarHBondContact O-CG 3.15Å; H182-E186 PolarHBondContact O-N 2.88Å; E183-E186 PolarHBondContact O-N 2.94Å; E186-N189 PolarHBondContact O-N 3.14Å; E186-M190 VanDerWaalsContact O-CB 3.31Å; E186-M190 WeakPolarHBondContact O-CB 3.21Å; E186-M190 PolarHBondContact O-N 3.34Å |
| 187 | L | 94.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 176.5 | -77.2 | 167 | 0 | 0 | 0 | 112.1 | Y129 K132 F133 W178 E183 A184 E185 M190 Q191 | Y129-L187 HydrophobicContact CD2-CD2 3.76Å; Y129-L187 HydrophobicContact CE2-CB 3.97Å; Y129-L187 HydrophobicContact CE2-CD2 3.8Å; Y129-L187 HydrophobicContact CE2-CG 4.47Å; Y129-L187 HydrophobicContact CG-CD2 4.41Å; K132-L187 HydrophobicContact CB-CD2 3.77Å; F133-L187 HydrophobicContact CB-CD1 4.32Å; F133-L187 HydrophobicContact CB-CD2 4.34Å; F133-L187 HydrophobicContact CD2-CD1 4.25Å; W178-L187 HydrophobicContact CZ2-CD1 4.18Å; E183-L187 WeakPolarHBondContact O-CG 3.35Å; E183-L187 PolarHBondContact O-N 3.19Å; A184-L187 PolarHBondContact O-N 3.48Å; E185-L187 VanDerWaalsContact C-N 3.31Å; E185-L187 PolarHBondContact O-N 2.93Å; L187-M190 WeakPolarHBondContact O-CB 3.31Å; L187-M190 PolarHBondContact O-N 3.34Å; L187-Q191 VanDerWaalsContact O-CB 3.29Å; L187-Q191 WeakPolarHBondContact O-CB 3.27Å; L187-Q191 PolarHBondContact O-N 2.99Å |
| 188 | R | 91.8 | Very high | 91.4 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 27% | 0.272 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 175.7 | -74.9 | -175.8 | -63.7 | -95.9 | 1 | 111.8 | N179 A184 E185 M190 Q191 D192 | N179-R188 PolarHBondContact O-NH1 3.16Å; N179-R188 PolarHBondContact O-NH2 3.19Å; A184-R188 WeakPolarHBondContact O-CG 3.32Å; A184-R188 PolarHBondContact O-N 3.36Å; E185-R188 PolarHBondContact O-N 2.71Å; R188-M190 VanDerWaalsContact C-N 3.28Å; R188-M190 PolarHBondContact O-N 3.42Å; R188-Q191 WeakPolarHBondContact O-CB 3.44Å; R188-Q191 PolarHBondContact O-N 3.49Å; R188-Q191 VanDerWaalsContact O-N 3.07Å; R188-D192 PolarHBondContact O-N 3.17Å |
| 189 | N | 91.1 | Very high | 91.3 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 176.9 | -71.1 | -30.4 | 0 | 0 | 0 | 112.1 | E185 E186 | E185-N189 WeakPolarHBondContact O-CB 3.48Å; E185-N189 VanDerWaalsContact O-CG 3.29Å; E185-N189 PolarHBondContact O-N 3.04Å; E185-N189 PolarHBondContact O-ND2 3Å; E186-N189 PolarHBondContact O-N 3.14Å |
| 190 | M | 90.1 | Very high | 91.3 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 18% | 0.177 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.4 | 174.1 | 178 | -62.8 | 0 | 0 | 110.5 | Q128 Y129 K132 E186 L187 R188 S193 F194 | Q128-M190 HydrophobicContact CB-CE 4.46Å; Q128-M190 HydrophobicContact CB-SD 4.08Å; Y129-M190 HydrophobicContact CD2-SD 4.36Å; K132-M190 HydrophobicContact CD-CE 3.87Å; E186-M190 VanDerWaalsContact O-CB 3.31Å; E186-M190 WeakPolarHBondContact O-CB 3.21Å; E186-M190 PolarHBondContact O-N 3.34Å; L187-M190 WeakPolarHBondContact O-CB 3.31Å; L187-M190 PolarHBondContact O-N 3.34Å; R188-M190 VanDerWaalsContact C-N 3.28Å; R188-M190 PolarHBondContact O-N 3.42Å; M190-S193 WeakPolarHBondContact O-CB 3.41Å; M190-S193 PolarHBondContact O-N 3.2Å; M190-S193 PolarHBondContact O-OG 3.25Å; M190-F194 HydrophobicContact CG-CE1 3.49Å; M190-F194 VanDerWaalsContact CG-CE1 3.49Å; M190-F194 HydrophobicContact CG-CZ 3.88Å; M190-F194 VanDerWaalsContact O-CD1 3.28Å; M190-F194 WeakPolarHBondContact O-CD1 3.48Å; M190-F194 WeakPolarHBondContact O-CE1 3.37Å; M190-F194 HydrophobicContact SD-CE1 4.45Å |
| 191 | Q | 88 | Confident | 91.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | -177.6 | -165.9 | -152.2 | -72.6 | 0 | 0 | 113.1 | F117 Y129 L187 R188 S193 F194 S195 S197 | F117-Q191 HydrophobicContact CD1-CG 4.26Å; F117-Q191 HydrophobicContact CE1-CG 4.04Å; Y129-Q191 HydrophobicContact CD2-CB 4.33Å; Y129-Q191 HydrophobicContact CE2-CB 3.96Å; Y129-Q191 HydrophobicContact CE2-CG 4.27Å; L187-Q191 VanDerWaalsContact O-CB 3.29Å; L187-Q191 WeakPolarHBondContact O-CB 3.27Å; L187-Q191 PolarHBondContact O-N 2.99Å; R188-Q191 WeakPolarHBondContact O-CB 3.44Å; R188-Q191 PolarHBondContact O-N 3.49Å; R188-Q191 VanDerWaalsContact O-N 3.07Å; Q191-S193 PolarHBondContact O-N 2.98Å; Q191-F194 HydrophobicContact CB-CE2 4.43Å; Q191-F194 HydrophobicContact CB-CZ 4.46Å; Q191-F194 HydrophobicContact CG-CE2 4.2Å; Q191-F194 PolarHBondContact O-N 2.74Å; Q191-S195 PolarHBondContact O-N 3.31Å; Q191-S195 VanDerWaalsContact O-O 3.07Å; Q191-S197 PolarHBondContact NE2-OG 2.95Å; Q191-S197 PolarHBondContact OE1-OG 3.33Å |
| 192 | D | 85.5 | Confident | 91.4 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -55.8 | -24.3 | 178.4 | -76.7 | -15.4 | 0 | 0 | 0 | 113 | R188 F194 | R188-D192 PolarHBondContact O-N 3.17Å; D192-F194 VanDerWaalsContact C-N 3.32Å; D192-F194 PolarHBondContact O-N 2.88Å |
| 193 | S | 83.4 | Confident | 91.4 | Very high | 93 Ų | 93 | 44.3 Ų | 44.3 | 65% | 0.65 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.6 | 177.6 | 78 | 0 | 0 | 0 | 0 | 114.4 | M190 Q191 | M190-S193 WeakPolarHBondContact O-CB 3.41Å; M190-S193 PolarHBondContact O-N 3.2Å; M190-S193 PolarHBondContact O-OG 3.25Å; Q191-S193 PolarHBondContact O-N 2.98Å |
| 194 | F | 82.4 | Confident | 91.3 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -147.7 | 0 | -174.3 | 59.5 | -113.3 | 0 | 0 | 0 | 116.4 | I120 N121 N124 F125 Y129 M190 Q191 D192 | I120-F194 WeakPolarHBondContact CA-O 3.48Å; N121-F194 HydrophobicContact CB-CB 3.75Å; N121-F194 HydrophobicContact CB-CG 4.45Å; N121-F194 PolarHBondContact N-O 3.05Å; N124-F194 HydrophobicContact CB-CD1 3.95Å; N124-F194 HydrophobicContact CB-CE1 4.21Å; N124-F194 HydrophobicContact CB-CG 4.47Å; F125-F194 HydrophobicContact CB-CE2 4.32Å; F125-F194 AromaticContact CD2-CE2 3.75Å; F125-F194 HydrophobicContact CD2-CE2 3.75Å; F125-F194 HydrophobicContact CD2-CZ 4.42Å; Y129-F194 HydrophobicContact CD2-CZ 4.08Å; Y129-F194 HydrophobicContact CG-CZ 4.17Å; M190-F194 HydrophobicContact CG-CE1 3.49Å; M190-F194 VanDerWaalsContact CG-CE1 3.49Å; M190-F194 HydrophobicContact CG-CZ 3.88Å; M190-F194 VanDerWaalsContact O-CD1 3.28Å; M190-F194 WeakPolarHBondContact O-CD1 3.48Å; M190-F194 WeakPolarHBondContact O-CE1 3.37Å; M190-F194 HydrophobicContact SD-CE1 4.45Å; Q191-F194 HydrophobicContact CB-CE2 4.43Å; Q191-F194 HydrophobicContact CB-CZ 4.46Å; Q191-F194 HydrophobicContact CG-CE2 4.2Å; Q191-F194 PolarHBondContact O-N 2.74Å; D192-F194 VanDerWaalsContact C-N 3.32Å; D192-F194 PolarHBondContact O-N 2.88Å |
| 195 | S | 84.3 | Confident | 91.2 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | trans | -158 | 145.4 | 179.1 | -178 | 0 | 0 | 0 | 0 | 110.7 | N118 Q191 | N118-S195 WeakPolarHBondContact O-CA 3.3Å; N118-S195 PolarHBondContact O-OG 2.95Å; Q191-S195 PolarHBondContact O-N 3.31Å; Q191-S195 VanDerWaalsContact O-O 3.07Å | ||
| 196 | K | 86.5 | Confident | 90.9 | Very high | 165 Ų | 165 | 44.1 Ų | 44.1 | 72% | 0.717 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 142 | 160.7 | -68.4 | -178.6 | 175.2 | -179.9 | 0 | 108.6 | F117 N118 | F117-K196 WeakPolarHBondContact CA-O 3.44Å; N118-K196 PolarHBondContact N-O 3.47Å; N118-K196 PolarHBondContact O-N 3.46Å |
| 197 | S | 90.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 162 | 170.2 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | D56 G57 L116 Q191 | D56-S197 PolarHBondContact OD2-OG 2.77Å; G57-S197 WeakPolarHBondContact CA-O 3.49Å; L116-S197 CarbonylContact O-C 3.58Å; L116-S197 WeakPolarHBondContact O-CA 3.46Å; L116-S197 WeakPolarHBondContact O-CB 3.25Å; Q191-S197 PolarHBondContact NE2-OG 2.95Å; Q191-S197 PolarHBondContact OE1-OG 3.33Å |
| 198 | S | 91.8 | Very high | 88.7 | Confident | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.8 | 154.4 | -54.1 | 0 | 0 | 0 | 0 | 108.1 | D56 L116 | D56-S198 WeakPolarHBondContact O-CA 3.4Å; L116-S198 PolarHBondContact N-O 3.17Å; L116-S198 PolarHBondContact O-N 3.06Å |
| 199 | T | 94.3 | Very high | 88.6 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.2 | -176.8 | -58.7 | 0 | 0 | 0 | 0 | 110.2 | L55 D56 Q113 L114 S115 | L55-T199 HydrophobicContact CB-CG2 4.2Å; L55-T199 HydrophobicContact CD1-CG2 4.08Å; L55-T199 PolarHBondContact N-O 3.49Å; D56-T199 PolarHBondContact N-O 2.67Å; D56-T199 VanDerWaalsContact N-O 3.15Å; D56-T199 PolarHBondContact O-N 3.01Å; Q113-T199 HydrophobicContact CG-CG2 3.74Å; L114-T199 CarbonylContact O-C 3.6Å; L114-T199 VanDerWaalsContact O-CA 3.29Å; L114-T199 WeakPolarHBondContact O-CA 3.36Å; S115-T199 WeakPolarHBondContact OG-CG2 3.22Å |
| 200 | I | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 152.9 | 177.2 | 61.2 | 161.6 | 0 | 0 | 0 | 111.5 | V52 V53 W59 V65 Q113 L114 | V52-I200 HydrophobicContact CG1-CB 3.55Å; V52-I200 HydrophobicContact CG1-CD1 3.64Å; V52-I200 HydrophobicContact CG1-CG1 4.16Å; V52-I200 HydrophobicContact CG1-CG2 3.77Å; V53-I200 CarbonylContact O-C 3.5Å; V53-I200 VanDerWaalsContact O-CA 3.29Å; V53-I200 WeakPolarHBondContact O-CA 3.47Å; W59-I200 HydrophobicContact CB-CG2 3.82Å; W59-I200 HydrophobicContact CD2-CD1 4.44Å; W59-I200 HydrophobicContact CD2-CG2 3.34Å; W59-I200 HydrophobicContact CE3-CG2 3.6Å; W59-I200 HydrophobicContact CG-CG2 3.42Å; W59-I200 VanDerWaalsContact CG-CG2 3.42Å; W59-I200 HydrophobicContact CH2-CD1 3.78Å; W59-I200 HydrophobicContact CZ2-CD1 3.64Å; W59-I200 HydrophobicContact CZ3-CD1 4.24Å; W59-I200 HydrophobicContact CZ3-CG2 4.28Å; V65-I200 HydrophobicContact CG1-CD1 4.01Å; V65-I200 HydrophobicContact CG2-CD1 4.06Å; Q113-I200 CarbonylContact C-O 3.49Å; Q113-I200 WeakPolarHBondContact CA-O 3.29Å; Q113-I200 WeakPolarHBondContact CG-O 3.27Å; L114-I200 HydrophobicContact CB-CD1 4.37Å; L114-I200 HydrophobicContact CB-CG1 3.86Å; L114-I200 PolarHBondContact N-O 2.84Å; L114-I200 PolarHBondContact O-N 3.28Å |
| 201 | L | 97 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.4 | 162.3 | -176.1 | 66.8 | 0 | 0 | 0 | 108.9 | V52 V53 L55 Q113 E172 S175 | V52-L201 CarbonylContact C-O 3.44Å; V52-L201 VanDerWaalsContact CA-O 3.32Å; V52-L201 WeakPolarHBondContact CA-O 3.37Å; V53-L201 HydrophobicContact CB-CB 4.34Å; V53-L201 PolarHBondContact N-O 3.37Å; V53-L201 PolarHBondContact O-N 3.35Å; L55-L201 HydrophobicContact CD1-CB 3.92Å; L55-L201 HydrophobicContact CG-CB 4.31Å; Q113-L201 HydrophobicContact CB-CD1 4.17Å; E172-L201 HydrophobicContact CG-CD2 4.46Å; S175-L201 WeakPolarHBondContact OG-CD1 3.39Å; S175-L201 WeakPolarHBondContact OG-CD2 3.09Å |
| 202 | A | 96.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | A49 V65 F67 L112 I204 | A49-A202 HydrophobicContact CB-CB 3.96Å; V65-A202 HydrophobicContact CG2-CB 3.57Å; F67-A202 HydrophobicContact CE2-CB 4.33Å; L112-A202 PolarHBondContact N-O 2.82Å; L112-A202 WeakPolarHBondContact O-CB 3.39Å; L112-A202 PolarHBondContact O-N 3.19Å; A202-I204 HydrophobicContact CB-CD1 3.75Å; A202-I204 PolarHBondContact O-N 3.21Å |
| 203 | M | 96.1 | Very high | 88.5 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 16% | 0.158 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 95.2 | 175.3 | -55.7 | -177.5 | -153.7 | 0 | 0 | 109.6 | A49 E51 V53 N110 Y111 | A49-M203 WeakPolarHBondContact CA-O 3.47Å; E51-M203 HydrophobicContact CB-CB 4.4Å; E51-M203 HydrophobicContact CB-CE 4.27Å; E51-M203 HydrophobicContact CB-CG 4.43Å; E51-M203 HydrophobicContact CB-SD 3.91Å; E51-M203 HydrophobicContact CG-CE 3.7Å; E51-M203 HydrophobicContact CG-SD 3.98Å; E51-M203 PolarHBondContact O-N 3.33Å; V53-M203 HydrophobicContact CG2-CE 3.6Å; N110-M203 CarbonylContact O-C 3.56Å; N110-M203 WeakPolarHBondContact O-CA 3.34Å; Y111-M203 HydrophobicContact CD1-CG 4.18Å; Y111-M203 HydrophobicContact CE1-CB 4.47Å; Y111-M203 HydrophobicContact CE1-CG 4.01Å |
| 204 | I | 94.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.3 | -171.5 | -49.3 | -52.6 | 0 | 0 | 0 | 111.1 | A49 F67 N110 L112 A202 | A49-I204 HydrophobicContact CB-CD1 4.37Å; F67-I204 HydrophobicContact CD2-CD1 3.61Å; F67-I204 HydrophobicContact CE2-CD1 3.34Å; F67-I204 HydrophobicContact CZ-CD1 4.43Å; N110-I204 WeakPolarHBondContact CB-O 3.1Å; N110-I204 PolarHBondContact O-N 3Å; L112-I204 HydrophobicContact CB-CD1 4.48Å; L112-I204 HydrophobicContact CB-CG1 4.35Å; L112-I204 HydrophobicContact CD1-CD1 4.1Å; L112-I204 HydrophobicContact CD1-CG1 3.87Å; L112-I204 HydrophobicContact CG-CD1 4.38Å; L112-I204 HydrophobicContact CG-CG1 3.88Å; A202-I204 HydrophobicContact CB-CD1 3.75Å; A202-I204 PolarHBondContact O-N 3.21Å |
| 205 | K | 92.5 | Very high | 89.4 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 27% | 0.274 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127 | 163.1 | -172.2 | 174 | -180 | 174.3 | 0 | 108.9 | G47 F48 E50 Y208 | G47-K205 WeakPolarHBondContact CA-O 3.25Å; F48-K205 HydrophobicContact CZ-CD 4.31Å; F48-K205 PolarHBondContact N-O 3.4Å; F48-K205 PolarHBondContact O-N 3.37Å; E50-K205 HydrophobicContact CG-CD 4.32Å; E50-K205 VanDerWaalsContact OE1-CD 3.32Å; E50-K205 WeakPolarHBondContact OE1-CD 3.29Å; E50-K205 IonicContact OE1-NZ 2.71Å; E50-K205 PolarHBondContact OE1-NZ 3.07Å; E50-K205 IonicContact OE2-NZ 3.33Å; E50-K205 PolarHBondContact OE2-NZ 3.23Å; K205-Y208 WeakPolarHBondContact CE-OH 3.49Å |
| 206 | H | 88 | Confident | 89.7 | Confident | 70 Ų | 70 | 47 Ų | 47 | 32% | 0.324 | 21% | 0.211 | S | C | . | . | P | Polyproline II helix | trans | -67.8 | 135 | 173 | -62.6 | -78 | 0 | 0 | 0 | 109.6 | V46 N110 | V46-H206 PolarHBondContact O-ND1 3.13Å; N110-H206 PolarHBondContact OD1-CD2 2.66Å; N110-H206 PolarHBondContact OD1-NE2 3.12Å |
| 207 | N | 79.3 | Confident | 90 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 146.1 | 176.1 | -72.8 | -38.7 | 0 | 0 | 0 | 110.7 | N27 V30 S45 F48 | N27-N207 PolarHBondContact OD1-OD1 3.34Å; V30-N207 WeakPolarHBondContact CG1-ND2 3.21Å; S45-N207 WeakPolarHBondContact CB-ND2 3.44Å; S45-N207 WeakPolarHBondContact OG-CB 3.47Å; S45-N207 PolarHBondContact OG-ND2 3.39Å; F48-N207 WeakPolarHBondContact CD1-OD1 3.22Å; F48-N207 WeakPolarHBondContact CE1-OD1 3.48Å |
| 208 | Y | 63.2 | Low | 90 | Very high | 205 Ų | 205 | 39.5 Ų | 39.5 | 80% | 0.804 | 18% | 0.176 | S | C | * | . | trans | -82.8 | 0 | 178.7 | -65.1 | -77.3 | 0 | 0 | 0 | 112.6 | V31 K205 | V31-Y208 WeakPolarHBondContact CG2-O 3.39Å; K205-Y208 WeakPolarHBondContact CE-OH 3.49Å |
Retrieved 208 of 208 residues in 68.9 ms
(Link to these results)