| 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 | 43.9 | Very low | 41.8 | Very low | 251 Ų | 251 | 142.5 Ų | 142.5 | 100% | 1.236 | 81% | 0.811 | S | S | * | * | 0 | 92.1 | 0 | -125.9 | 172.4 | -169.3 | 0 | 0 | 105.7 | |||||
| 2 | E | 38.9 | Very low | 41.7 | Very low | 198 Ų | 198 | 142.9 Ų | 142.9 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 129 | 173.5 | -101.6 | 168.5 | 103.3 | 0 | 0 | 108.2 | ||
| 3 | A | 38.7 | Very low | 41.5 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 4 | P | 39.8 | Very low | 41.7 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.9 | 178.6 | 25.8 | -31.7 | 0 | 0 | 0 | 110 | V6 | P4-V6 PolarHBondContact O-N 3.22Š|
| 5 | P | 44.9 | Very low | 42.5 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.7 | 174.4 | 24.6 | -31.3 | 0 | 0 | 0 | 108.5 | T7 | P5-T7 VanDerWaalsContact C-N 3.34Å; P5-T7 PolarHBondContact O-N 2.88Å |
| 6 | V | 47.7 | Very low | 43.4 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -63.8 | 99.3 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 106.8 | P4 M8 | P4-V6 PolarHBondContact O-N 3.22Å; V6-M8 PolarHBondContact O-N 3.17Å | ||
| 7 | T | 43.5 | Very low | 45.1 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 105.1 | 172 | -38.9 | 0 | 0 | 0 | 0 | 106.6 | P5 M9 | P5-T7 VanDerWaalsContact C-N 3.34Å; P5-T7 PolarHBondContact O-N 2.88Å; T7-M9 PolarHBondContact O-N 3.39Å | ||
| 8 | M | 40.9 | Very low | 47.6 | Very low | 174 Ų | 174 | 119.8 Ų | 119.8 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | trans | -67.6 | 85.1 | 173.6 | -56.1 | -158 | -69.6 | 0 | 0 | 107.3 | V6 | V6-M8 PolarHBondContact O-N 3.17Š| ||
| 9 | M | 36.9 | Very low | 49.9 | Very low | 156 Ų | 156 | 113.7 Ų | 113.7 | 77% | 0.768 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.8 | 165.5 | -72.5 | -165.9 | 169.5 | 0 | 0 | 106.5 | T7 V11 | T7-M9 PolarHBondContact O-N 3.39Å; M9-V11 PolarHBondContact O-N 3.35Å |
| 10 | P | 42 | Very low | 52.2 | Low | 114 Ų | 114 | 108.3 Ų | 108.3 | 74% | 0.74 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 118.6 | 173.2 | 24.6 | -29.8 | 0 | 0 | 0 | 106.5 | T12 | P10-T12 PolarHBondContact O-N 3.31Å; P10-T12 VanDerWaalsContact O-N 3.09Å |
| 11 | V | 43 | Very low | 54.2 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 70% | 0.697 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 120.8 | 170.9 | 178.2 | 0 | 0 | 0 | 0 | 105.3 | M9 G13 I16 | M9-V11 PolarHBondContact O-N 3.35Å; V11-G13 PolarHBondContact O-N 3.45Å; V11-I16 HydrophobicContact CB-CD1 3.7Å; V11-I16 HydrophobicContact CG1-CD1 4.07Å; V11-I16 WeakPolarHBondContact O-CD1 3.49Å |
| 12 | T | 39.8 | Very low | 56.6 | Low | 147 Ų | 147 | 91.4 Ų | 91.4 | 90% | 0.902 | 55% | 0.553 | S | S | * | * | trans | -81.5 | 61.5 | 175.9 | 39.8 | 0 | 0 | 0 | 0 | 108.9 | P10 | P10-T12 PolarHBondContact O-N 3.31Å; P10-T12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | G | 39.3 | Very low | 59.4 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 30% | 0.299 | 51% | 0.51 | S | S | . | . | trans | -104.9 | 121.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | V11 T15 I16 | V11-G13 PolarHBondContact O-N 3.45Å; G13-T15 PolarHBondContact O-N 3.1Å; G13-I16 WeakPolarHBondContact O-CD1 3.47Å; G13-I16 WeakPolarHBondContact O-CG1 3.42Å; G13-I16 PolarHBondContact O-N 2.93Å | ||
| 14 | G | 45.1 | Very low | 62.1 | Low | 89 Ų | 89 | 79.8 Ų | 79.8 | 92% | 0.918 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 8.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 15 | T | 52.9 | Low | 64.8 | Low | 70 Ų | 70 | 75.3 Ų | 75.3 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -3.6 | -176.3 | 51.4 | 0 | 0 | 0 | 0 | 114.5 | G13 N17 M18 | G13-T15 PolarHBondContact O-N 3.1Å; T15-N17 PolarHBondContact O-N 3.08Å; T15-N17 VanDerWaalsContact O-N 3.13Å; T15-M18 PolarHBondContact O-N 3.24Å |
| 16 | I | 57.2 | Low | 67.3 | Low | 84 Ų | 84 | 73.2 Ų | 73.2 | 43% | 0.431 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12 | -164.8 | -70.3 | 159.7 | 0 | 0 | 0 | 114.7 | V11 G13 | V11-I16 HydrophobicContact CB-CD1 3.7Å; V11-I16 HydrophobicContact CG1-CD1 4.07Å; V11-I16 WeakPolarHBondContact O-CD1 3.49Å; G13-I16 WeakPolarHBondContact O-CD1 3.47Å; G13-I16 WeakPolarHBondContact O-CG1 3.42Å; G13-I16 PolarHBondContact O-N 2.93Å |
| 17 | N | 72.1 | Confident | 69.7 | Low | 118 Ų | 118 | 67.2 Ų | 67.2 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 30.2 | 178.1 | -69.4 | -14.5 | 0 | 0 | 0 | 113.5 | T15 A177 | T15-N17 PolarHBondContact O-N 3.08Å; T15-N17 VanDerWaalsContact O-N 3.13Å; N17-A177 PolarHBondContact O-N 3.46Å |
| 18 | M | 90.1 | Very high | 72.3 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 131.9 | 175.2 | -61.3 | -60 | -77.2 | 0 | 0 | 111 | T15 C105 V174 P176 | T15-M18 PolarHBondContact O-N 3.24Å; M18-C105 PolarHBondContact O-N 3.38Å; M18-V174 HydrophobicContact CB-CG1 3.82Å; M18-V174 HydrophobicContact CE-CG1 3.8Å; M18-V174 HydrophobicContact CG-CG1 4.41Å; M18-P176 HydrophobicContact SD-CG 4.1Å |
| 19 | M | 92.3 | Very high | 74.9 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133 | 176.5 | -56.6 | -58.5 | -76.5 | 0 | 0 | 109.6 | Y21 E92 V102 R103 N104 V174 A175 A177 | M19-Y21 HydrophobicContact CB-CD2 4.43Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; M19-E92 HydrophobicContact CE-CG 4.15Å; M19-E92 WeakPolarHBondContact CE-OE1 3.36Å; M19-V102 HydrophobicContact CB-CG1 4.07Å; M19-V102 HydrophobicContact CE-CG1 3.57Å; M19-V102 HydrophobicContact CG-CG1 4.45Å; M19-R103 CarbonylContact C-O 3.59Å; M19-R103 WeakPolarHBondContact CA-O 3.47Å; M19-N104 PolarHBondContact SD-OD1 3.1Å; M19-V174 WeakPolarHBondContact O-CA 3.36Å; M19-A175 PolarHBondContact N-O 3.26Å; M19-A175 PolarHBondContact O-N 2.9Å; M19-A177 HydrophobicContact CG-CB 3.77Å; M19-A177 HydrophobicContact SD-CB 4.44Å |
| 20 | E | 94.1 | Very high | 77.8 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 2% | 0.023 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.3 | 164.5 | -178.3 | -178.8 | -109.1 | 0 | 0 | 108.8 | L22 R86 L88 V102 R103 C105 V173 | E20-L22 HydrophobicContact CG-CB 4.47Å; E20-R86 IonicContact OE1-NH1 2.67Å; E20-R86 PolarHBondContact OE1-NH1 2.89Å; E20-L88 WeakPolarHBondContact OE2-CD2 3.21Å; E20-V102 WeakPolarHBondContact O-CA 3.44Å; E20-R103 HydrophobicContact CB-CG 4.37Å; E20-R103 PolarHBondContact N-O 3.48Å; E20-R103 PolarHBondContact O-N 3.39Å; E20-R103 VanDerWaalsContact O-N 3.08Å; E20-R103 IonicContact OE2-CZ 3.54Å; E20-R103 VanDerWaalsContact OE2-CZ 3.24Å; E20-R103 IonicContact OE2-NE 3.22Å; E20-R103 PolarHBondContact OE2-NE 3.03Å; E20-R103 IonicContact OE2-NH2 2.59Å; E20-R103 PolarHBondContact OE2-NH2 3.37Å; E20-C105 HydrophobicContact CB-CB 3.61Å; E20-V173 WeakPolarHBondContact CA-O 3.48Å |
| 21 | Y | 94.6 | Very high | 80.4 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 127 | 165.6 | -64.4 | -110.4 | 0 | 0 | 0 | 107.2 | M19 A100 L101 V102 S172 V173 A175 Q179 V182 M186 | M19-Y21 HydrophobicContact CB-CD2 4.43Å; M19-Y21 HydrophobicContact CB-CE2 3.94Å; Y21-A100 HydrophobicContact CD1-CB 4.41Å; Y21-L101 CarbonylContact C-O 3.57Å; Y21-L101 VanDerWaalsContact CA-O 3.25Å; Y21-L101 WeakPolarHBondContact CA-O 3.34Å; Y21-V102 HydrophobicContact CD1-CG2 3.59Å; Y21-V102 HydrophobicContact CE1-CG1 4.44Å; Y21-V102 HydrophobicContact CE1-CG2 3.71Å; Y21-V102 HydrophobicContact CG-CG2 4.24Å; Y21-S172 CarbonylContact O-C 3.59Å; Y21-S172 WeakPolarHBondContact O-CA 3.47Å; Y21-V173 PolarHBondContact N-O 2.79Å; Y21-V173 PolarHBondContact O-N 3.45Å; Y21-A175 HydrophobicContact CE2-CB 4.22Å; Y21-Q179 PolarHBondContact OH-N 3.24Å; Y21-Q179 PolarHBondContact OH-O 3.47Å; Y21-Q179 VanDerWaalsContact OH-O 3.1Å; Y21-V182 HydrophobicContact CD1-CB 4.24Å; Y21-V182 HydrophobicContact CD1-CG1 3.9Å; Y21-V182 HydrophobicContact CD2-CG1 3.9Å; Y21-V182 HydrophobicContact CE1-CB 4.19Å; Y21-V182 HydrophobicContact CE1-CG1 4.32Å; Y21-V182 HydrophobicContact CE2-CG1 4.34Å; Y21-V182 HydrophobicContact CG-CB 4.43Å; Y21-V182 HydrophobicContact CG-CG1 3.69Å; Y21-M186 WeakPolarHBondContact CB-SD 3.31Å; Y21-M186 HydrophobicContact CG-SD 4.4Å; Y21-M186 WeakPolarHBondContact O-CE 3.49Å |
| 22 | L | 95.4 | Very high | 82.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.3 | -173.6 | -179.5 | 68 | 0 | 0 | 0 | 111.8 | E20 Q24 L101 E170 L171 I202 | E20-L22 HydrophobicContact CG-CB 4.47Å; L22-Q24 HydrophobicContact CD1-CG 4.17Å; L22-Q24 HydrophobicContact CD2-CG 4.22Å; L22-Q24 HydrophobicContact CG-CG 4.14Å; L22-L101 HydrophobicContact CB-CB 4.37Å; L22-L101 HydrophobicContact CB-CD2 4.36Å; L22-L101 PolarHBondContact N-O 2.97Å; L22-L101 PolarHBondContact O-N 2.88Å; L22-E170 HydrophobicContact CD1-CB 4.17Å; L22-L171 WeakPolarHBondContact CA-O 3.23Å; L22-I202 HydrophobicContact CD2-CD1 4.02Å |
| 23 | L | 96.5 | Very high | 85.7 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.7 | 160.9 | -62.8 | 176.7 | 0 | 0 | 0 | 108.9 | H99 A100 L171 M186 A190 L199 | L23-H99 WeakPolarHBondContact CD2-O 3.31Å; L23-A100 HydrophobicContact CD2-CB 4.13Å; L23-A100 HydrophobicContact CG-CB 4.3Å; L23-L171 HydrophobicContact CB-CB 4.39Å; L23-L171 HydrophobicContact CD1-CD2 4.25Å; L23-L171 PolarHBondContact N-O 2.82Å; L23-L171 PolarHBondContact O-N 2.84Å; L23-M186 HydrophobicContact CD1-CB 4.16Å; L23-M186 HydrophobicContact CG-CE 4.13Å; L23-A190 HydrophobicContact CD1-CB 4.01Å; L23-L199 HydrophobicContact CB-CB 4Å |
| 24 | Q | 96.4 | Very high | 88.4 | Confident | 41 Ų | 41 | 54.6 Ų | 54.6 | 19% | 0.192 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.8 | 176.6 | -74.1 | -168.8 | -12.7 | 0 | 0 | 111.9 | L22 V169 E170 L199 E200 I202 | L22-Q24 HydrophobicContact CD1-CG 4.17Å; L22-Q24 HydrophobicContact CD2-CG 4.22Å; L22-Q24 HydrophobicContact CG-CG 4.14Å; Q24-V169 CarbonylContact C-O 3.49Å; Q24-V169 WeakPolarHBondContact CA-O 3.29Å; Q24-E170 HydrophobicContact CG-CG 4.04Å; Q24-E170 PolarHBondContact NE2-OE1 3.41Å; Q24-L199 WeakPolarHBondContact O-CA 3.42Å; Q24-E200 PolarHBondContact N-O 3.03Å; Q24-E200 PolarHBondContact O-N 3.27Å; Q24-I202 HydrophobicContact CB-CD1 3.94Å; Q24-I202 HydrophobicContact CB-CG1 3.74Å; Q24-I202 HydrophobicContact CG-CD1 3.54Å; Q24-I202 HydrophobicContact CG-CG1 3.94Å |
| 25 | G | 96.8 | Very high | 91 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | -169.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L168 V169 H198 L199 | G25-L168 WeakPolarHBondContact O-CD1 3.31Å; G25-V169 PolarHBondContact N-O 2.75Å; G25-V169 PolarHBondContact O-N 2.85Å; G25-H198 WeakPolarHBondContact CA-O 3.28Å; G25-L199 VanDerWaalsContact N-CD2 3.35Å |
| 26 | S | 97 | Very high | 93.1 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 50% | 0.497 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 157.4 | 176 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | Y167 | S26-Y167 CarbonylContact C-O 3.49Å; S26-Y167 WeakPolarHBondContact CA-O 3.33Å; S26-Y167 WeakPolarHBondContact CB-O 3.37Å |
| 27 | V | 97.8 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.3 | 175.7 | 66.7 | 0 | 0 | 0 | 0 | 109.2 | L35 S166 Y167 V169 | V27-L35 HydrophobicContact CB-CD2 4.09Å; V27-L35 HydrophobicContact CG1-CD2 3.64Å; V27-L35 HydrophobicContact CG2-CD2 4.44Å; V27-S166 CarbonylContact O-C 3.48Å; V27-S166 WeakPolarHBondContact O-CA 3.35Å; V27-S166 VanDerWaalsContact O-CB 3.3Å; V27-S166 WeakPolarHBondContact O-CB 3.07Å; V27-Y167 PolarHBondContact N-O 2.86Å; V27-Y167 PolarHBondContact O-N 3.18Å; V27-V169 HydrophobicContact CB-CG2 4.45Å; V27-V169 HydrophobicContact CG1-CG2 4.03Å |
| 28 | L | 97.7 | Very high | 96.1 | Very high | 94 Ų | 94 | 50 Ų | 50 | 49% | 0.492 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 153.2 | 176.7 | -65 | 174.4 | 0 | 0 | 0 | 110.7 | H30 S31 L32 | L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 VanDerWaalsContact CB-CE1 3.47Å; L28-H30 WeakPolarHBondContact CB-CE1 3.37Å; L28-H30 VanDerWaalsContact CD1-CE1 3.42Å; L28-H30 WeakPolarHBondContact CD1-CE1 3.43Å; L28-H30 PolarHBondContact O-N 2.86Å; L28-S31 WeakPolarHBondContact O-CA 3.42Å; L28-S31 PolarHBondContact O-N 3.2Å; L28-L32 PolarHBondContact O-N 2.71Å |
| 29 | D | 96.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -51.7 | -43.7 | -175.9 | -71.5 | -10.3 | 0 | 0 | 0 | 113.8 | S31 L32 K147 L165 S166 Y167 | D29-S31 PolarHBondContact O-N 3.08Å; D29-L32 VanDerWaalsContact O-CB 3.31Å; D29-L32 WeakPolarHBondContact O-CB 3.37Å; D29-L32 PolarHBondContact O-N 3.21Å; D29-K147 VanDerWaalsContact OD1-CE 3.29Å; D29-K147 WeakPolarHBondContact OD1-CE 3.49Å; D29-K147 IonicContact OD1-NZ 3.09Å; D29-K147 PolarHBondContact OD1-NZ 3.4Å; D29-K147 IonicContact OD2-NZ 3.8Å; D29-K147 PolarHBondContact OD2-NZ 2.8Å; D29-L165 VanDerWaalsContact CG-C 3.48Å; D29-L165 VanDerWaalsContact CG-O 3.26Å; D29-L165 PolarHBondContact N-O 3.15Å; D29-S166 PolarHBondContact OD1-N 2.84Å; D29-Y167 WeakPolarHBondContact OD1-CD2 3.42Å; D29-Y167 VanDerWaalsContact OD1-CE2 3.31Å; D29-Y167 WeakPolarHBondContact OD1-CE2 3.3Å |
| 30 | H | 96.4 | Very high | 96.7 | Very high | 148 Ų | 148 | 51.2 Ų | 51.2 | 69% | 0.685 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -67.3 | -18.9 | -179.9 | 63.9 | -102.2 | 0 | 0 | 0 | 113.6 | L28 | L28-H30 VanDerWaalsContact C-N 3.28Å; L28-H30 VanDerWaalsContact CB-CE1 3.47Å; L28-H30 WeakPolarHBondContact CB-CE1 3.37Å; L28-H30 VanDerWaalsContact CD1-CE1 3.42Å; L28-H30 WeakPolarHBondContact CD1-CE1 3.43Å; L28-H30 PolarHBondContact O-N 2.86Å |
| 31 | S | 96.8 | Very high | 96.8 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -96.6 | -2.9 | -179.7 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | L28 D29 E33 S34 L35 | L28-S31 WeakPolarHBondContact O-CA 3.42Å; L28-S31 PolarHBondContact O-N 3.2Å; D29-S31 PolarHBondContact O-N 3.08Å; S31-E33 PolarHBondContact O-N 3.3Å; S31-S34 PolarHBondContact O-N 3.3Å; S31-L35 PolarHBondContact O-N 2.75Å; S31-L35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 96.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 53.9 Ų | 53.9 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | -177.4 | 176.8 | 67.5 | 0 | 0 | 0 | 112.1 | L28 D29 S34 L35 I36 V145 Y167 | L28-L32 PolarHBondContact O-N 2.71Å; D29-L32 VanDerWaalsContact O-CB 3.31Å; D29-L32 WeakPolarHBondContact O-CB 3.37Å; D29-L32 PolarHBondContact O-N 3.21Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.86Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.08Å; L32-I36 HydrophobicContact CD1-CD1 4.37Å; L32-I36 HydrophobicContact CD1-CG1 3.99Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.68Å; L32-V145 HydrophobicContact CD1-CG1 3.6Å; L32-Y167 HydrophobicContact CB-CD2 4.43Å; L32-Y167 HydrophobicContact CB-CE2 4.42Å; L32-Y167 HydrophobicContact CD1-CD1 3.92Å; L32-Y167 HydrophobicContact CD1-CD2 4.06Å; L32-Y167 HydrophobicContact CD1-CE1 4.17Å; L32-Y167 HydrophobicContact CD1-CE2 4.32Å; L32-Y167 HydrophobicContact CD1-CG 3.87Å; L32-Y167 HydrophobicContact CD2-CD1 4.47Å; L32-Y167 HydrophobicContact CD2-CD2 4.26Å; L32-Y167 HydrophobicContact CD2-CE1 3.91Å; L32-Y167 HydrophobicContact CD2-CE2 3.69Å; L32-Y167 VanDerWaalsContact CD2-CZ 3.49Å; L32-Y167 HydrophobicContact CG-CD2 4.48Å; L32-Y167 HydrophobicContact CG-CE2 4.36Å |
| 33 | E | 96.8 | Very high | 96.8 | Very high | 163 Ų | 163 | 53.9 Ų | 53.9 | 76% | 0.762 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.2 | -38.9 | -175.6 | -67 | -173.3 | 170.4 | 0 | 0 | 111.9 | S31 I36 H37 | S31-E33 PolarHBondContact O-N 3.3Å; E33-I36 PolarHBondContact O-N 3.46Å; E33-H37 WeakPolarHBondContact O-CB 3.41Å; E33-H37 PolarHBondContact O-N 2.98Å |
| 34 | S | 97.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 175.8 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | S31 L32 R38 | S31-S34 PolarHBondContact O-N 3.3Å; L32-S34 VanDerWaalsContact C-N 3.27Å; L32-S34 PolarHBondContact O-N 2.86Å; S34-R38 WeakPolarHBondContact O-CB 3.29Å; S34-R38 PolarHBondContact O-N 3.44Å |
| 35 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -45.6 | 175.3 | 180 | 63.3 | 0 | 0 | 0 | 111.9 | V27 S31 L32 H37 R38 L39 V145 V169 L193 L196 V197 | V27-L35 HydrophobicContact CB-CD2 4.09Å; V27-L35 HydrophobicContact CG1-CD2 3.64Å; V27-L35 HydrophobicContact CG2-CD2 4.44Å; S31-L35 PolarHBondContact O-N 2.75Å; S31-L35 VanDerWaalsContact O-N 3.1Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-L35 VanDerWaalsContact O-N 3.08Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.01Å; L35-R38 PolarHBondContact O-N 3.36Å; L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.5Å; L35-V145 HydrophobicContact CD2-CG1 4.17Å; L35-V145 HydrophobicContact CD2-CG2 4.06Å; L35-V169 HydrophobicContact CD2-CG2 3.62Å; L35-L193 HydrophobicContact CD1-CD2 4.19Å; L35-L196 HydrophobicContact CD1-CB 4.44Å; L35-V197 HydrophobicContact CD1-CG1 3.76Å; L35-V197 HydrophobicContact CD2-CG1 4.47Å |
| 36 | I | 97.4 | Very high | 95.6 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.077 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 177.9 | -68.9 | -62.1 | 0 | 0 | 0 | 110.6 | L32 E33 R38 L39 R40 H134 F136 V145 | L32-I36 HydrophobicContact CD1-CD1 4.37Å; L32-I36 HydrophobicContact CD1-CG1 3.99Å; L32-I36 HydrophobicContact CG-CG1 4.17Å; L32-I36 WeakPolarHBondContact O-CG1 3.45Å; L32-I36 PolarHBondContact O-N 2.68Å; E33-I36 PolarHBondContact O-N 3.46Å; I36-R38 PolarHBondContact O-N 3.47Å; I36-L39 PolarHBondContact O-N 3.37Å; I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.89Å; I36-H134 HydrophobicContact CD1-CB 3.87Å; I36-F136 HydrophobicContact CD1-CE2 3.6Å; I36-F136 HydrophobicContact CD1-CZ 3.74Å; I36-F136 HydrophobicContact CG2-CZ 4.2Å; I36-V145 HydrophobicContact CD1-CB 4.45Å |
| 37 | H | 96.6 | Very high | 95.2 | Very high | 138 Ų | 138 | 71.4 Ų | 71.4 | 64% | 0.639 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61 | -44.1 | 176.7 | -176.1 | 76.4 | 0 | 0 | 0 | 111.9 | E33 L35 R40 G41 | E33-H37 WeakPolarHBondContact O-CB 3.41Å; E33-H37 PolarHBondContact O-N 2.98Å; L35-H37 VanDerWaalsContact C-N 3.34Å; L35-H37 PolarHBondContact O-N 3.01Å; H37-R40 PolarHBondContact O-N 2.68Å; H37-G41 PolarHBondContact O-N 3.32Å |
| 38 | R | 97.2 | Very high | 94.9 | Very high | 112 Ų | 112 | 72 Ų | 72 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176 | -179.3 | 59.3 | 171 | -171.2 | 0.3 | 112 | S34 L35 I36 R40 G41 L42 Q192 L193 L196 | S34-R38 WeakPolarHBondContact O-CB 3.29Å; S34-R38 PolarHBondContact O-N 3.44Å; L35-R38 PolarHBondContact O-N 3.36Å; I36-R38 PolarHBondContact O-N 3.47Å; R38-R40 PolarHBondContact O-N 3.07Å; R38-G41 PolarHBondContact O-N 3.29Å; R38-L42 HydrophobicContact CG-CD1 4.16Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.24Å; R38-L42 VanDerWaalsContact O-N 3.07Å; R38-Q192 PolarHBondContact NE-O 3.4Å; R38-Q192 PolarHBondContact NH2-O 2.95Å; R38-L193 HydrophobicContact CG-CD2 4.23Å; R38-L196 HydrophobicContact CB-CD1 3.8Å; R38-L196 HydrophobicContact CG-CD1 4.08Å |
| 39 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 179.3 | -77.7 | 170.4 | 0 | 0 | 0 | 112.2 | L35 I36 G41 L42 C43 F136 I143 V145 F189 L193 | L35-L39 HydrophobicContact CD1-CD1 4.17Å; L35-L39 HydrophobicContact CD1-CG 4.21Å; L35-L39 HydrophobicContact CD2-CD1 4.48Å; L35-L39 HydrophobicContact CG-CD1 3.93Å; L35-L39 HydrophobicContact CG-CG 4.4Å; L35-L39 WeakPolarHBondContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CG 3.21Å; L35-L39 PolarHBondContact O-N 3.5Å; I36-L39 PolarHBondContact O-N 3.37Å; L39-G41 PolarHBondContact O-N 3.21Å; L39-L42 PolarHBondContact O-N 3.21Å; L39-C43 VanDerWaalsContact O-CB 3.29Å; L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 3.2Å; L39-F136 HydrophobicContact CB-CD1 4.02Å; L39-F136 HydrophobicContact CB-CD2 4.17Å; L39-F136 HydrophobicContact CB-CE1 3.77Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CB-CG 4.2Å; L39-F136 HydrophobicContact CB-CZ 3.7Å; L39-F136 HydrophobicContact CD1-CD2 3.89Å; L39-F136 HydrophobicContact CD1-CE2 3.7Å; L39-F136 HydrophobicContact CD1-CZ 4.27Å; L39-F136 HydrophobicContact CG-CE2 4.47Å; L39-I143 HydrophobicContact CD1-CG2 4.11Å; L39-I143 HydrophobicContact CD2-CG1 4.47Å; L39-I143 HydrophobicContact CD2-CG2 3.97Å; L39-V145 HydrophobicContact CD1-CG2 3.55Å; L39-F189 HydrophobicContact CD2-CE1 4.18Å; L39-F189 HydrophobicContact CD2-CZ 4.03Å; L39-L193 HydrophobicContact CD2-CD1 4.39Å; L39-L193 HydrophobicContact CD2-CD2 3.71Å; L39-L193 HydrophobicContact CG-CD2 4.24Å |
| 40 | R | 96.3 | Very high | 94.7 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 171.7 | -73.3 | 179.5 | -177.9 | 166.5 | -1 | 111.1 | I36 H37 R38 L42 C43 N45 E47 F136 | I36-R40 WeakPolarHBondContact O-CG 3.48Å; I36-R40 PolarHBondContact O-N 2.89Å; H37-R40 PolarHBondContact O-N 2.68Å; R38-R40 PolarHBondContact O-N 3.07Å; R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 3.19Å; R40-C43 CarbonylContact O-C 3.54Å; R40-C43 PolarHBondContact O-N 3.18Å; R40-N45 WeakPolarHBondContact O-CA 3.35Å; R40-N45 PolarHBondContact O-N 3.36Å; R40-E47 IonicContact CZ-OE1 2.68Å; R40-E47 IonicContact CZ-OE2 2.71Å; R40-E47 IonicContact NE-OE1 3.16Å; R40-E47 PolarHBondContact NE-OE1 3.23Å; R40-E47 IonicContact NE-OE2 3.73Å; R40-E47 PolarHBondContact NE-OE2 2.77Å; R40-E47 IonicContact NH1-OE1 2.68Å; R40-E47 IonicContact NH2-OE1 2.75Å; R40-E47 PolarHBondContact NH2-OE1 2.82Å; R40-E47 IonicContact NH2-OE2 2.63Å; R40-E47 PolarHBondContact NH2-OE2 2.87Å; R40-F136 HydrophobicContact CG-CE1 3.87Å |
| 41 | G | 95.9 | Very high | 94.8 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 50% | 0.495 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -33.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H37 R38 L39 | H37-G41 PolarHBondContact O-N 3.32Å; R38-G41 PolarHBondContact O-N 3.29Å; L39-G41 PolarHBondContact O-N 3.21Å |
| 42 | L | 95.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -81.8 | -26 | 178.6 | -67.5 | 177.4 | 0 | 0 | 0 | 113.8 | R38 L39 R40 K138 F189 Q192 L193 | R38-L42 HydrophobicContact CG-CD1 4.16Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.24Å; R38-L42 VanDerWaalsContact O-N 3.07Å; L39-L42 PolarHBondContact O-N 3.21Å; R40-L42 VanDerWaalsContact C-N 3.26Å; R40-L42 PolarHBondContact O-N 3.19Å; L42-K138 VanDerWaalsContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CE 3.19Å; L42-K138 PolarHBondContact O-NZ 2.82Å; L42-F189 HydrophobicContact CB-CE2 3.91Å; L42-F189 HydrophobicContact CB-CZ 4.17Å; L42-F189 HydrophobicContact CD1-CE2 4.34Å; L42-F189 HydrophobicContact CD1-CZ 4.27Å; L42-Q192 HydrophobicContact CD1-CB 4.02Å; L42-Q192 HydrophobicContact CD2-CB 4.19Å; L42-Q192 VanDerWaalsContact CD2-OE1 3.24Å; L42-L193 HydrophobicContact CD1-CD2 3.59Å; L42-L193 HydrophobicContact CD1-CG 4.37Å |
| 43 | C | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 46.6 | -177.8 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | L39 R40 N45 M46 F136 | L39-C43 VanDerWaalsContact O-CB 3.29Å; L39-C43 WeakPolarHBondContact O-CB 3.37Å; L39-C43 PolarHBondContact O-N 2.85Å; L39-C43 PolarHBondContact O-SG 3.2Å; R40-C43 CarbonylContact O-C 3.54Å; R40-C43 PolarHBondContact O-N 3.18Å; C43-N45 VanDerWaalsContact C-N 3.26Å; C43-N45 PolarHBondContact O-N 2.95Å; C43-M46 PolarHBondContact O-N 3.41Å; C43-F136 HydrophobicContact CB-CB 4.39Å; C43-F136 HydrophobicContact CB-CD1 4.3Å |
| 44 | D | 91.7 | Very high | 94.9 | Very high | 117 Ų | 117 | 58.1 Ų | 58.1 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 29.8 | 171.3 | -51.2 | -41.8 | 0 | 0 | 0 | 115.2 | M46 | D44-M46 PolarHBondContact O-N 3.38Š|
| 45 | N | 87.5 | Confident | 94.9 | Very high | 127 Ų | 127 | 56 Ų | 56 | 68% | 0.679 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 23.8 | -178 | -58.3 | -56.3 | 0 | 0 | 0 | 114.4 | R40 C43 | R40-N45 WeakPolarHBondContact O-CA 3.35Å; R40-N45 PolarHBondContact O-N 3.36Å; C43-N45 VanDerWaalsContact C-N 3.26Å; C43-N45 PolarHBondContact O-N 2.95Å |
| 46 | M | 85 | Confident | 94.8 | Very high | 125 Ų | 125 | 57 Ų | 57 | 62% | 0.616 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 139.8 | 172.2 | -65.4 | -169.8 | 69.4 | 0 | 0 | 110.9 | C43 D44 | C43-M46 PolarHBondContact O-N 3.41Å; D44-M46 PolarHBondContact O-N 3.38Å |
| 47 | E | 88.2 | Confident | 94.8 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -67 | 133.8 | 169.6 | -77.1 | -62 | 143.9 | 0 | 0 | 110 | R40 | R40-E47 IonicContact CZ-OE1 2.68Å; R40-E47 IonicContact CZ-OE2 2.71Å; R40-E47 IonicContact NE-OE1 3.16Å; R40-E47 PolarHBondContact NE-OE1 3.23Å; R40-E47 IonicContact NE-OE2 3.73Å; R40-E47 PolarHBondContact NE-OE2 2.77Å; R40-E47 IonicContact NH1-OE1 2.68Å; R40-E47 IonicContact NH2-OE1 2.75Å; R40-E47 PolarHBondContact NH2-OE1 2.82Å; R40-E47 IonicContact NH2-OE2 2.63Å; R40-E47 PolarHBondContact NH2-OE2 2.87Å |
| 48 | P | 91.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 12% | 0.117 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 142.2 | 178 | 24.2 | -30.9 | 0 | 0 | 0 | 111.6 | H134 F136 | P48-H134 HydrophobicContact CB-CB 3.92Å; P48-H134 HydrophobicContact CG-CB 4.4Å; P48-F136 HydrophobicContact CB-CD1 4Å; P48-F136 HydrophobicContact CB-CD2 4.06Å; P48-F136 HydrophobicContact CB-CE1 3.62Å; P48-F136 HydrophobicContact CB-CE2 3.68Å; P48-F136 HydrophobicContact CB-CG 4.22Å; P48-F136 HydrophobicContact CB-CZ 3.46Å; P48-F136 VanDerWaalsContact CB-CZ 3.46Å; P48-F136 HydrophobicContact CG-CE1 3.82Å; P48-F136 HydrophobicContact CG-CE2 4.19Å; P48-F136 HydrophobicContact CG-CZ 3.57Å |
| 49 | E | 94.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 46 Ų | 46 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.6 | 166.5 | 179.7 | 174.8 | -162.3 | 0 | 0 | 108.8 | R78 H134 L135 R137 | E49-R78 VanDerWaalsContact CD-NH2 3.33Å; E49-R78 IonicContact OE1-CZ 3.2Å; E49-R78 IonicContact OE1-NH1 3.93Å; E49-R78 PolarHBondContact OE1-NH1 2.86Å; E49-R78 IonicContact OE1-NH2 3.36Å; E49-R78 PolarHBondContact OE1-NH2 2.94Å; E49-H134 CarbonylContact O-C 3.55Å; E49-H134 WeakPolarHBondContact O-CA 3.25Å; E49-L135 HydrophobicContact CB-CB 4.23Å; E49-L135 PolarHBondContact N-O 3.39Å; E49-L135 PolarHBondContact O-N 2.76Å; E49-L135 WeakPolarHBondContact OE2-CD2 3.46Å; E49-R137 IonicContact OE2-CZ 3.55Å; E49-R137 IonicContact OE2-NH1 2.66Å; E49-R137 PolarHBondContact OE2-NH1 2.94Å; E49-R137 IonicContact OE2-NH2 3.61Å |
| 50 | T | 96.6 | Very high | 94.5 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 52% | 0.515 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 150.1 | 171 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | R78 G133 | T50-R78 PolarHBondContact O-NH2 2.89Å; T50-G133 WeakPolarHBondContact CA-O 3.01Å |
| 51 | F | 96.8 | Very high | 94 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.5 | 172.4 | 70.5 | -89.1 | 0 | 0 | 0 | 111.6 | D53 D77 A131 K132 G133 L135 Y146 | F51-D53 HydrophobicContact CD2-CB 4.22Å; F51-D53 WeakPolarHBondContact CD2-OD2 3.43Å; F51-D77 WeakPolarHBondContact CA-OD2 3.38Å; F51-A131 HydrophobicContact CE2-CB 4.06Å; F51-K132 WeakPolarHBondContact O-CA 3.27Å; F51-G133 PolarHBondContact N-O 2.71Å; F51-G133 PolarHBondContact O-N 2.63Å; F51-L135 HydrophobicContact CD1-CB 4.24Å; F51-Y146 HydrophobicContact CZ-CD1 4.1Å; F51-Y146 AromaticContact CZ-CG 3.88Å; F51-Y146 HydrophobicContact CZ-CG 3.88Å |
| 52 | L | 97.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 53.5 Ų | 53.5 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 105.4 | 168.4 | -179.3 | 67.9 | 0 | 0 | 0 | 107.6 | M76 D77 V130 A131 K132 | L52-M76 HydrophobicContact CB-CB 4.48Å; L52-M76 HydrophobicContact CD2-CB 3.92Å; L52-M76 HydrophobicContact CD2-CE 4.47Å; L52-M76 HydrophobicContact CD2-SD 4.43Å; L52-M76 HydrophobicContact CG-CB 3.96Å; L52-M76 HydrophobicContact CG-SD 4.21Å; L52-M76 WeakPolarHBondContact O-CB 3.43Å; L52-M76 PolarHBondContact O-N 2.88Å; L52-D77 HydrophobicContact CB-CB 4.2Å; L52-D77 PolarHBondContact N-OD2 3.46Å; L52-V130 HydrophobicContact CD1-CG1 3.43Å; L52-V130 VanDerWaalsContact CD1-CG1 3.43Å; L52-V130 HydrophobicContact CG-CG1 4.36Å; L52-A131 WeakPolarHBondContact CA-O 3.48Å; L52-K132 HydrophobicContact CD1-CB 3.75Å; L52-K132 HydrophobicContact CD1-CD 4.16Å; L52-K132 HydrophobicContact CD1-CG 3.95Å |
| 53 | D | 97.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 62.9 Ų | 62.9 | 8% | 0.075 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.5 | -174.2 | -72.3 | -20.8 | 0 | 0 | 0 | 110.7 | F51 R73 R74 S75 V130 A131 | F51-D53 HydrophobicContact CD2-CB 4.22Å; F51-D53 WeakPolarHBondContact CD2-OD2 3.43Å; D53-R73 HydrophobicContact CB-CG 4.02Å; D53-R73 WeakPolarHBondContact OD2-CD 3.42Å; D53-R73 IonicContact OD2-NH1 2.88Å; D53-R74 CarbonylContact C-O 3.52Å; D53-R74 WeakPolarHBondContact CA-O 3.21Å; D53-S75 WeakPolarHBondContact OD1-CA 3.17Å; D53-V130 CarbonylContact O-C 3.54Å; D53-V130 WeakPolarHBondContact O-CA 3.35Å; D53-A131 PolarHBondContact N-O 3.24Å; D53-A131 PolarHBondContact O-N 3.32Å |
| 54 | H | 97.4 | Very high | 90 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 118.3 | 164.3 | -175.9 | -155 | 0 | 0 | 0 | 108.6 | M56 R73 R74 M76 E128 F129 I151 T157 | H54-M56 WeakPolarHBondContact CE1-CE 3.38Å; H54-M56 WeakPolarHBondContact ND1-CE 3.24Å; H54-R73 WeakPolarHBondContact O-CA 3.44Å; H54-R74 HydrophobicContact CB-CG 3.83Å; H54-R74 PolarHBondContact N-O 2.99Å; H54-R74 PolarHBondContact O-N 3.2Å; H54-M76 HydrophobicContact CB-CG 4.04Å; H54-M76 HydrophobicContact CB-SD 3.97Å; H54-E128 IonicContact CE1-OE2 3.81Å; H54-E128 PolarHBondContact CE1-OE2 2.99Å; H54-E128 IonicContact NE2-OE2 3.49Å; H54-E128 PolarHBondContact NE2-OE2 3.49Å; H54-F129 PolarHBondContact CD2-O 3.1Å; H54-I151 VanDerWaalsContact NE2-CD1 3.3Å; H54-I151 WeakPolarHBondContact NE2-CD1 3Å; H54-T157 HydrophobicContact CB-CG2 4.37Å |
| 55 | E | 97.5 | Very high | 88.9 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.7 | 177.2 | -72.8 | -156.5 | -147.5 | 0 | 0 | 111.3 | A72 R73 E128 F129 | E55-A72 WeakPolarHBondContact CA-O 3.33Å; E55-R73 HydrophobicContact CG-CB 4.12Å; E55-R73 HydrophobicContact CG-CG 3.9Å; E55-E128 CarbonylContact O-C 3.54Å; E55-E128 WeakPolarHBondContact O-CA 3.41Å; E55-E128 WeakPolarHBondContact O-CB 3.36Å; E55-F129 HydrophobicContact CB-CD1 4.34Å; E55-F129 HydrophobicContact CB-CD2 4.19Å; E55-F129 HydrophobicContact CB-CE1 3.84Å; E55-F129 HydrophobicContact CB-CE2 3.67Å; E55-F129 HydrophobicContact CB-CZ 3.47Å; E55-F129 VanDerWaalsContact CB-CZ 3.47Å; E55-F129 HydrophobicContact CG-CE2 4.11Å; E55-F129 HydrophobicContact CG-CZ 4.1Å; E55-F129 PolarHBondContact N-O 3.29Å; E55-F129 PolarHBondContact O-N 3.26Å |
| 56 | M | 97.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.6 | 177 | -59.9 | 170.9 | 178.2 | 0 | 0 | 109.2 | H54 F58 R71 A72 W83 T115 E128 | H54-M56 WeakPolarHBondContact CE1-CE 3.38Å; H54-M56 WeakPolarHBondContact ND1-CE 3.24Å; M56-F58 HydrophobicContact CB-CD2 4.22Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 4.3Å; M56-F58 HydrophobicContact CG-CE2 4.49Å; M56-F58 HydrophobicContact SD-CE2 4.09Å; M56-F58 HydrophobicContact SD-CZ 4.15Å; M56-R71 CarbonylContact O-C 3.53Å; M56-R71 WeakPolarHBondContact O-CA 3.46Å; M56-A72 HydrophobicContact CB-CB 4.38Å; M56-A72 PolarHBondContact N-O 2.9Å; M56-A72 PolarHBondContact O-N 3.07Å; M56-W83 HydrophobicContact CE-CH2 3.92Å; M56-W83 HydrophobicContact CE-CZ3 4.32Å; M56-W83 HydrophobicContact SD-CH2 4.26Å; M56-W83 HydrophobicContact SD-CZ3 4.12Å; M56-T115 HydrophobicContact CE-CG2 4.16Å; M56-T115 HydrophobicContact SD-CG2 3.48Å; M56-T115 WeakPolarHBondContact SD-CG2 3.43Å; M56-E128 HydrophobicContact CG-CB 4.07Å |
| 57 | V | 96.9 | Very high | 88.5 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.1 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | V69 R71 D126 H127 F129 | V57-V69 HydrophobicContact CG1-CG1 3.6Å; V57-R71 HydrophobicContact CG2-CG 4.32Å; V57-D126 PolarHBondContact O-N 3.42Å; V57-H127 VanDerWaalsContact CG2-NE2 3.35Å; V57-H127 WeakPolarHBondContact CG2-NE2 3.48Å; V57-H127 PolarHBondContact N-O 2.84Å; V57-F129 HydrophobicContact CG2-CE1 4.32Å |
| 58 | F | 96.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.6 | -178.6 | -72.8 | -90.9 | 0 | 0 | 0 | 110.5 | M56 V69 L70 A72 T115 L118 M119 F123 R124 M125 | M56-F58 HydrophobicContact CB-CD2 4.22Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 4.3Å; M56-F58 HydrophobicContact CG-CE2 4.49Å; M56-F58 HydrophobicContact SD-CE2 4.09Å; M56-F58 HydrophobicContact SD-CZ 4.15Å; F58-V69 WeakPolarHBondContact O-CA 3.42Å; F58-L70 HydrophobicContact CB-CB 4.48Å; F58-L70 PolarHBondContact N-O 3.12Å; F58-L70 PolarHBondContact O-N 3.21Å; F58-A72 HydrophobicContact CD2-CB 4.17Å; F58-A72 HydrophobicContact CE2-CB 3.81Å; F58-T115 HydrophobicContact CE2-CG2 4.49Å; F58-T115 HydrophobicContact CZ-CG2 4.11Å; F58-L118 HydrophobicContact CB-CD1 4.46Å; F58-L118 HydrophobicContact CD1-CB 4.24Å; F58-L118 HydrophobicContact CD1-CD1 4.35Å; F58-L118 HydrophobicContact CD2-CD1 3.7Å; F58-L118 HydrophobicContact CE1-CB 4.37Å; F58-L118 HydrophobicContact CE2-CD1 3.94Å; F58-L118 HydrophobicContact CG-CD1 3.92Å; F58-L118 HydrophobicContact CZ-CD1 4.38Å; F58-M119 HydrophobicContact CE1-CE 4.25Å; F58-M119 HydrophobicContact CE1-CG 4.39Å; F58-F123 HydrophobicContact CB-CB 4.1Å; F58-F123 HydrophobicContact CB-CD1 3.92Å; F58-F123 HydrophobicContact CB-CG 4.38Å; F58-F123 HydrophobicContact CD1-CB 4.15Å; F58-R124 CarbonylContact C-O 3.51Å; F58-R124 WeakPolarHBondContact CA-O 3.41Å; F58-M125 HydrophobicContact CD1-CB 4.17Å; F58-M125 HydrophobicContact CE1-CB 3.87Å; F58-M125 HydrophobicContact CE1-CG 4.48Å; F58-M125 HydrophobicContact CZ-CB 4.36Å |
| 59 | L | 95.3 | Very high | 88.6 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.2 | 178.6 | -58.8 | 178.6 | 0 | 0 | 0 | 110.5 | P67 F68 V69 F123 R124 D126 | L59-P67 HydrophobicContact CB-CB 4.41Å; L59-P67 HydrophobicContact CD2-CB 4.23Å; L59-P67 HydrophobicContact CD2-CG 4.25Å; L59-F68 WeakPolarHBondContact CA-O 3.49Å; L59-V69 HydrophobicContact CD2-CB 4.12Å; L59-V69 HydrophobicContact CD2-CG1 3.94Å; L59-V69 HydrophobicContact CD2-CG2 3.53Å; L59-F123 WeakPolarHBondContact O-CA 3.45Å; L59-R124 PolarHBondContact N-O 2.78Å; L59-R124 PolarHBondContact O-N 2.62Å; L59-D126 HydrophobicContact CD1-CB 3.55Å; L59-D126 VanDerWaalsContact CD1-CG 3.47Å; L59-D126 WeakPolarHBondContact CD1-OD1 3.24Å; L59-D126 HydrophobicContact CG-CB 3.7Å |
| 60 | L | 93.3 | Very high | 88.7 | Confident | 60 Ų | 60 | 61 Ų | 61 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 110.3 | 164.2 | -175.8 | 68.5 | 0 | 0 | 0 | 108.3 | G62 F68 G122 F123 | L60-G62 PolarHBondContact O-N 3.3Å; L60-F68 HydrophobicContact CB-CB 4.33Å; L60-F68 PolarHBondContact N-O 3.46Å; L60-F68 PolarHBondContact O-N 2.87Å; L60-G122 WeakPolarHBondContact CD1-O 3.46Å; L60-F123 HydrophobicContact CB-CD1 3.66Å; L60-F123 HydrophobicContact CB-CD2 4.3Å; L60-F123 HydrophobicContact CB-CE1 3.48Å; L60-F123 VanDerWaalsContact CB-CE1 3.48Å; L60-F123 HydrophobicContact CB-CE2 4.15Å; L60-F123 HydrophobicContact CB-CG 4.06Å; L60-F123 HydrophobicContact CB-CZ 3.73Å; L60-F123 HydrophobicContact CD1-CD2 4.46Å; L60-F123 HydrophobicContact CD2-CE2 4.01Å; L60-F123 HydrophobicContact CD2-CZ 3.98Å; L60-F123 HydrophobicContact CG-CZ 4.43Å |
| 61 | K | 85.4 | Confident | 88.7 | Confident | 173 Ų | 173 | 60.5 Ų | 60.5 | 75% | 0.752 | 33% | 0.329 | S | S | * | . | trans | -80.7 | 103.9 | 176.1 | -66 | -173.7 | -179.9 | -176.5 | 0 | 108.8 | ||||
| 62 | G | 73.4 | Confident | 88.8 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | trans | -85.8 | -171.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L60 Q64 | L60-G62 PolarHBondContact O-N 3.3Å; G62-Q64 PolarHBondContact O-N 2.94Å | ||
| 63 | Q | 66.5 | Low | 88.8 | Confident | 213 Ų | 213 | 60 Ų | 60 | 100% | 0.995 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.4 | -11.9 | 170.4 | -68.7 | -177.6 | -2.7 | 0 | 0 | 113.3 | ||
| 64 | Q | 63.6 | Low | 88.7 | Confident | 160 Ų | 160 | 63.4 Ų | 63.4 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -81.3 | 158.2 | 178.1 | -64.8 | -172.4 | 0.1 | 0 | 0 | 112 | G62 S66 | G62-Q64 PolarHBondContact O-N 2.94Å; Q64-S66 VanDerWaalsContact C-N 3.31Å; Q64-S66 PolarHBondContact O-N 3.3Å |
| 65 | A | 67.9 | Low | 88.6 | Confident | 116 Ų | 116 | 64.5 Ų | 64.5 | 96% | 0.959 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66.3 | -24.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 66 | S | 78.6 | Confident | 88.5 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 33% | 0.329 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -109.5 | 130.7 | 178.3 | 59 | 0 | 0 | 0 | 0 | 111.5 | Q64 | Q64-S66 VanDerWaalsContact C-N 3.31Å; Q64-S66 PolarHBondContact O-N 3.3Å |
| 67 | P | 85.3 | Confident | 88.3 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | trans | -67.1 | 146.5 | 176.3 | 29.5 | -34 | 0 | 0 | 0 | 111 | L59 | L59-P67 HydrophobicContact CB-CB 4.41Å; L59-P67 HydrophobicContact CD2-CB 4.23Å; L59-P67 HydrophobicContact CD2-CG 4.25Å | ||
| 68 | F | 89.9 | Confident | 87.9 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 38% | 0.382 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 126.3 | 171.1 | -177.1 | -94.6 | 0 | 0 | 0 | 109 | L59 L60 L70 Y87 F123 | L59-F68 WeakPolarHBondContact CA-O 3.49Å; L60-F68 HydrophobicContact CB-CB 4.33Å; L60-F68 PolarHBondContact N-O 3.46Å; L60-F68 PolarHBondContact O-N 2.87Å; F68-L70 HydrophobicContact CD1-CG 4.27Å; F68-L70 HydrophobicContact CE1-CD1 4.05Å; F68-L70 HydrophobicContact CE1-CD2 3.7Å; F68-L70 HydrophobicContact CE1-CG 3.68Å; F68-L70 HydrophobicContact CZ-CD2 4.14Å; F68-Y87 AromaticContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CE1-CD2 4.31Å; F68-Y87 AromaticContact CE2-CD2 3.71Å; F68-Y87 HydrophobicContact CE2-CD2 3.71Å; F68-Y87 AromaticContact CE2-CE2 3.2Å; F68-Y87 HydrophobicContact CE2-CE2 3.2Å; F68-Y87 AromaticContact CE2-CZ 3.87Å; F68-Y87 AromaticContact CZ-CD2 3.5Å; F68-Y87 HydrophobicContact CZ-CD2 3.5Å; F68-Y87 AromaticContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CG 4.34Å; F68-F123 AromaticContact CD1-CE1 3.69Å; F68-F123 HydrophobicContact CD1-CE1 3.69Å; F68-F123 AromaticContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CE1-CE1 4.17Å; F68-F123 AromaticContact CE1-CZ 3.88Å; F68-F123 HydrophobicContact CE1-CZ 3.88Å |
| 69 | V | 92.8 | Very high | 87.5 | Confident | 54 Ų | 54 | 79 Ų | 79 | 33% | 0.327 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.1 | -170.3 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | V57 F58 L59 | V57-V69 HydrophobicContact CG1-CG1 3.6Å; F58-V69 WeakPolarHBondContact O-CA 3.42Å; L59-V69 HydrophobicContact CD2-CB 4.12Å; L59-V69 HydrophobicContact CD2-CG1 3.94Å; L59-V69 HydrophobicContact CD2-CG2 3.53Å |
| 70 | L | 96.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.079 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 147.7 | 168.9 | -67.7 | 178 | 0 | 0 | 0 | 109.8 | F58 F68 L85 Y87 L118 F123 | F58-L70 HydrophobicContact CB-CB 4.48Å; F58-L70 PolarHBondContact N-O 3.12Å; F58-L70 PolarHBondContact O-N 3.21Å; F68-L70 HydrophobicContact CD1-CG 4.27Å; F68-L70 HydrophobicContact CE1-CD1 4.05Å; F68-L70 HydrophobicContact CE1-CD2 3.7Å; F68-L70 HydrophobicContact CE1-CG 3.68Å; F68-L70 HydrophobicContact CZ-CD2 4.14Å; L70-L85 HydrophobicContact CB-CD1 3.97Å; L70-L85 HydrophobicContact CD1-CD1 4.13Å; L70-L85 HydrophobicContact CD1-CD2 4.46Å; L70-L85 HydrophobicContact CD2-CD1 4.47Å; L70-L85 HydrophobicContact CG-CD1 4.42Å; L70-Y87 HydrophobicContact CD2-CD2 4.09Å; L70-Y87 HydrophobicContact CD2-CG 4.36Å; L70-L118 HydrophobicContact CD1-CD2 3.76Å; L70-F123 HydrophobicContact CB-CE1 4.22Å; L70-F123 HydrophobicContact CD1-CD1 4.28Å; L70-F123 HydrophobicContact CD1-CE1 3.49Å; L70-F123 VanDerWaalsContact CD1-CE1 3.49Å; L70-F123 HydrophobicContact CD1-CE2 4.01Å; L70-F123 HydrophobicContact CD1-CZ 3.34Å; L70-F123 HydrophobicContact CG-CE1 3.7Å; L70-F123 HydrophobicContact CG-CZ 3.99Å |
| 71 | R | 97.1 | Very high | 87.1 | Confident | 72 Ų | 72 | 80.2 Ų | 80.2 | 27% | 0.272 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.8 | 172.5 | -59.9 | -171.9 | -177.4 | -178.9 | -1.4 | 109.2 | M56 V57 R86 | M56-R71 CarbonylContact O-C 3.53Å; M56-R71 WeakPolarHBondContact O-CA 3.46Å; V57-R71 HydrophobicContact CG2-CG 4.32Å; R71-R86 HydrophobicContact CB-CB 4.38Å; R71-R86 PolarHBondContact N-O 3.02Å; R71-R86 PolarHBondContact O-N 2.88Å |
| 72 | A | 97.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E55 M56 F58 W83 H84 L114 L118 | E55-A72 WeakPolarHBondContact CA-O 3.33Å; M56-A72 HydrophobicContact CB-CB 4.38Å; M56-A72 PolarHBondContact N-O 2.9Å; M56-A72 PolarHBondContact O-N 3.07Å; F58-A72 HydrophobicContact CD2-CB 4.17Å; F58-A72 HydrophobicContact CE2-CB 3.81Å; A72-W83 HydrophobicContact CB-CE3 4.4Å; A72-W83 HydrophobicContact CB-CZ3 4.38Å; A72-H84 CarbonylContact C-O 3.58Å; A72-H84 VanDerWaalsContact CA-O 3.32Å; A72-H84 WeakPolarHBondContact CA-O 3.49Å; A72-L114 HydrophobicContact CB-CD2 3.65Å; A72-L114 HydrophobicContact CB-CG 4.37Å; A72-L118 HydrophobicContact CB-CD1 4.44Å |
| 73 | R | 97.2 | Very high | 88.6 | Confident | 57 Ų | 57 | 73.8 Ų | 73.8 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.2 | 179 | 179.4 | -173.5 | 66.2 | 168.7 | -4 | 110.2 | D53 H54 E55 W83 H84 | D53-R73 HydrophobicContact CB-CG 4.02Å; D53-R73 WeakPolarHBondContact OD2-CD 3.42Å; D53-R73 IonicContact OD2-NH1 2.88Å; H54-R73 WeakPolarHBondContact O-CA 3.44Å; E55-R73 HydrophobicContact CG-CB 4.12Å; E55-R73 HydrophobicContact CG-CG 3.9Å; R73-W83 CarbonylContact O-C 3.58Å; R73-H84 HydrophobicContact CB-CB 4.32Å; R73-H84 PolarHBondContact N-O 3.46Å; R73-H84 PolarHBondContact O-N 2.93Å |
| 74 | R | 96.1 | Very high | 90.1 | Very high | 84 Ų | 84 | 66 Ų | 66 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.1 | 165.1 | 62.1 | 167.1 | -175.9 | 175.9 | 1.5 | 110.4 | D53 H54 W83 | D53-R74 CarbonylContact C-O 3.52Å; D53-R74 WeakPolarHBondContact CA-O 3.21Å; H54-R74 HydrophobicContact CB-CG 3.83Å; H54-R74 PolarHBondContact N-O 2.99Å; H54-R74 PolarHBondContact O-N 3.2Å; R74-W83 HydrophobicContact CB-CD2 3.83Å; R74-W83 HydrophobicContact CB-CE3 3.94Å; R74-W83 HydrophobicContact CB-CG 4.34Å; R74-W83 HydrophobicContact CB-CH2 4.43Å; R74-W83 HydrophobicContact CB-CZ2 4.33Å; R74-W83 HydrophobicContact CB-CZ3 4.22Å; R74-W83 HydrophobicContact CG-CD2 4.47Å; R74-W83 HydrophobicContact CG-CE3 4.34Å; R74-W83 HydrophobicContact CG-CH2 4.03Å; R74-W83 HydrophobicContact CG-CZ2 4.16Å; R74-W83 HydrophobicContact CG-CZ3 4.1Å |
| 75 | S | 96.2 | Very high | 91.7 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.1 | 167.2 | 156.2 | 0 | 0 | 0 | 0 | 109.5 | D53 D77 R78 | D53-S75 WeakPolarHBondContact OD1-CA 3.17Å; S75-D77 PolarHBondContact OG-N 2.85Å; S75-D77 PolarHBondContact OG-OD1 3.35Å; S75-R78 WeakPolarHBondContact OG-CB 3.34Å; S75-R78 PolarHBondContact OG-N 3.23Å |
| 76 | M | 94.9 | Very high | 93 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 31% | 0.305 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -99.5 | -19.2 | 174.9 | -61.8 | -179.4 | 60.2 | 0 | 0 | 112.3 | L52 H54 V130 T157 | L52-M76 HydrophobicContact CB-CB 4.48Å; L52-M76 HydrophobicContact CD2-CB 3.92Å; L52-M76 HydrophobicContact CD2-CE 4.47Å; L52-M76 HydrophobicContact CD2-SD 4.43Å; L52-M76 HydrophobicContact CG-CB 3.96Å; L52-M76 HydrophobicContact CG-SD 4.21Å; L52-M76 WeakPolarHBondContact O-CB 3.43Å; L52-M76 PolarHBondContact O-N 2.88Å; H54-M76 HydrophobicContact CB-CG 4.04Å; H54-M76 HydrophobicContact CB-SD 3.97Å; M76-V130 HydrophobicContact SD-CG1 4.36Å; M76-V130 HydrophobicContact SD-CG2 4.12Å; M76-T157 HydrophobicContact CE-CG2 4.27Å; M76-T157 VanDerWaalsContact CE-OG1 3.27Å; M76-T157 WeakPolarHBondContact CE-OG1 3.46Å; M76-T157 HydrophobicContact SD-CG2 4.28Å |
| 77 | D | 92.9 | Very high | 93.8 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -94 | -11.9 | -179.3 | 60.6 | -7.7 | 0 | 0 | 0 | 113.8 | F51 L52 S75 | F51-D77 WeakPolarHBondContact CA-OD2 3.38Å; L52-D77 HydrophobicContact CB-CB 4.2Å; L52-D77 PolarHBondContact N-OD2 3.46Å; S75-D77 PolarHBondContact OG-N 2.85Å; S75-D77 PolarHBondContact OG-OD1 3.35Å |
| 78 | R | 89.5 | Confident | 94 | Very high | 112 Ų | 112 | 55.9 Ų | 55.9 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -118.6 | 99.8 | 179.1 | -60.8 | 171.9 | -153.2 | -152.4 | -2.9 | 110.8 | E49 T50 S75 G80 A81 | E49-R78 VanDerWaalsContact CD-NH2 3.33Å; E49-R78 IonicContact OE1-CZ 3.2Å; E49-R78 IonicContact OE1-NH1 3.93Å; E49-R78 PolarHBondContact OE1-NH1 2.86Å; E49-R78 IonicContact OE1-NH2 3.36Å; E49-R78 PolarHBondContact OE1-NH2 2.94Å; T50-R78 PolarHBondContact O-NH2 2.89Å; S75-R78 WeakPolarHBondContact OG-CB 3.34Å; S75-R78 PolarHBondContact OG-N 3.23Å; R78-G80 PolarHBondContact O-N 2.92Å; R78-A81 HydrophobicContact CB-CB 3.87Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.01Å; R78-A81 VanDerWaalsContact O-N 3.14Å |
| 79 | A | 87.1 | Confident | 94 | Very high | 113 Ų | 113 | 52 Ų | 52 | 93% | 0.934 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A81 | A79-A81 VanDerWaalsContact C-N 3.3Å; A79-A81 PolarHBondContact O-N 3.41Å |
| 80 | G | 87.7 | Confident | 93.7 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 79% | 0.794 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | R78 | R78-G80 PolarHBondContact O-N 2.92Š|
| 81 | A | 92.2 | Very high | 93.3 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 136.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R78 A79 | R78-A81 HydrophobicContact CB-CB 3.87Å; R78-A81 WeakPolarHBondContact O-CB 3.33Å; R78-A81 PolarHBondContact O-N 3.01Å; R78-A81 VanDerWaalsContact O-N 3.14Å; A79-A81 VanDerWaalsContact C-N 3.3Å; A79-A81 PolarHBondContact O-N 3.41Å |
| 82 | P | 95 | Very high | 92.8 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 157 | 179.5 | 29.6 | -35.3 | 0 | 0 | 0 | 110.7 | H84 A109 | P82-H84 PolarHBondContact O-CD2 2.82Å; P82-A109 HydrophobicContact CB-CB 4.11Å; P82-A109 HydrophobicContact CG-CB 4.04Å |
| 83 | W | 96.9 | Very high | 91.5 | Very high | 25 Ų | 25 | 63.7 Ų | 63.7 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 156 | 165.8 | -76.5 | 73.6 | 0 | 0 | 0 | 109.8 | M56 A72 R73 R74 A109 T110 L114 T115 | M56-W83 HydrophobicContact CE-CH2 3.92Å; M56-W83 HydrophobicContact CE-CZ3 4.32Å; M56-W83 HydrophobicContact SD-CH2 4.26Å; M56-W83 HydrophobicContact SD-CZ3 4.12Å; A72-W83 HydrophobicContact CB-CE3 4.4Å; A72-W83 HydrophobicContact CB-CZ3 4.38Å; R73-W83 CarbonylContact O-C 3.58Å; R74-W83 HydrophobicContact CB-CD2 3.83Å; R74-W83 HydrophobicContact CB-CE3 3.94Å; R74-W83 HydrophobicContact CB-CG 4.34Å; R74-W83 HydrophobicContact CB-CH2 4.43Å; R74-W83 HydrophobicContact CB-CZ2 4.33Å; R74-W83 HydrophobicContact CB-CZ3 4.22Å; R74-W83 HydrophobicContact CG-CD2 4.47Å; R74-W83 HydrophobicContact CG-CE3 4.34Å; R74-W83 HydrophobicContact CG-CH2 4.03Å; R74-W83 HydrophobicContact CG-CZ2 4.16Å; R74-W83 HydrophobicContact CG-CZ3 4.1Å; W83-A109 CarbonylContact O-C 3.57Å; W83-A109 VanDerWaalsContact O-CA 3.31Å; W83-A109 WeakPolarHBondContact O-CA 3.2Å; W83-T110 VanDerWaalsContact CB-OG1 3.29Å; W83-T110 WeakPolarHBondContact CB-OG1 3.48Å; W83-T110 PolarHBondContact N-O 2.96Å; W83-T110 PolarHBondContact O-N 3.47Å; W83-T110 PolarHBondContact O-OG1 3.06Å; W83-L114 HydrophobicContact CB-CB 4.33Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD2 4.25Å; W83-T115 HydrophobicContact CH2-CG2 3.66Å; W83-T115 HydrophobicContact CZ2-CG2 4.49Å; W83-T115 HydrophobicContact CZ3-CG2 3.7Å |
| 84 | H | 96.9 | Very high | 89.9 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.9 | 175.4 | -80.1 | -99 | 0 | 0 | 0 | 110 | A72 R73 P82 D107 I108 | A72-H84 CarbonylContact C-O 3.58Å; A72-H84 VanDerWaalsContact CA-O 3.32Å; A72-H84 WeakPolarHBondContact CA-O 3.49Å; R73-H84 HydrophobicContact CB-CB 4.32Å; R73-H84 PolarHBondContact N-O 3.46Å; R73-H84 PolarHBondContact O-N 2.93Å; P82-H84 PolarHBondContact O-CD2 2.82Å; H84-D107 IonicContact CE1-OD1 3.99Å; H84-D107 IonicContact CG-OD1 3.99Å; H84-D107 IonicContact ND1-OD1 2.96Å; H84-D107 PolarHBondContact ND1-OD1 3Å; H84-I108 CarbonylContact C-O 3.58Å; H84-I108 VanDerWaalsContact CA-O 3.28Å; H84-I108 WeakPolarHBondContact CA-O 3.39Å |
| 85 | L | 97.4 | Very high | 88.6 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.2 | 168.3 | -176.5 | 62 | 0 | 0 | 0 | 108.9 | L70 D107 I108 T110 L114 L118 | L70-L85 HydrophobicContact CB-CD1 3.97Å; L70-L85 HydrophobicContact CD1-CD1 4.13Å; L70-L85 HydrophobicContact CD1-CD2 4.46Å; L70-L85 HydrophobicContact CD2-CD1 4.47Å; L70-L85 HydrophobicContact CG-CD1 4.42Å; L85-D107 WeakPolarHBondContact O-CA 3.42Å; L85-I108 HydrophobicContact CB-CG1 4.06Å; L85-I108 PolarHBondContact N-O 2.86Å; L85-I108 PolarHBondContact O-N 3.19Å; L85-T110 HydrophobicContact CB-CG2 3.86Å; L85-L114 HydrophobicContact CB-CD1 4.12Å; L85-L114 HydrophobicContact CB-CD2 4.03Å; L85-L114 HydrophobicContact CD1-CD1 4.18Å; L85-L114 HydrophobicContact CD1-CD2 4.34Å; L85-L114 HydrophobicContact CD2-CD1 4.14Å; L85-L114 HydrophobicContact CG-CD1 4.38Å; L85-L118 HydrophobicContact CD1-CD1 4.04Å; L85-L118 HydrophobicContact CD1-CD2 4.37Å |
| 86 | R | 95.8 | Very high | 87.3 | Confident | 41 Ų | 41 | 72 Ų | 72 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.4 | -178.9 | -179.9 | 178.8 | -89.2 | -128.1 | -14 | 111.3 | E20 R71 L88 V106 D107 | E20-R86 IonicContact OE1-NH1 2.67Å; E20-R86 PolarHBondContact OE1-NH1 2.89Å; R71-R86 HydrophobicContact CB-CB 4.38Å; R71-R86 PolarHBondContact N-O 3.02Å; R71-R86 PolarHBondContact O-N 2.88Å; R86-L88 HydrophobicContact CG-CD2 4.3Å; R86-L88 HydrophobicContact CG-CG 4.16Å; R86-V106 CarbonylContact C-O 3.49Å; R86-V106 VanDerWaalsContact CA-O 3.23Å; R86-V106 WeakPolarHBondContact CA-O 3.32Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 VanDerWaalsContact CZ-OD2 3.22Å; R86-D107 IonicContact NE-OD2 3.15Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 IonicContact NH2-OD2 2.86Å; R86-D107 PolarHBondContact NH2-OD2 2.95Å |
| 87 | Y | 94.1 | Very high | 86.2 | Confident | 75 Ų | 75 | 75.4 Ų | 75.4 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.6 | 168.5 | 169.4 | -107.5 | 0 | 0 | 0 | 109.7 | F68 L70 C105 V106 | F68-Y87 AromaticContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CD2-CE2 3.99Å; F68-Y87 HydrophobicContact CE1-CD2 4.31Å; F68-Y87 AromaticContact CE2-CD2 3.71Å; F68-Y87 HydrophobicContact CE2-CD2 3.71Å; F68-Y87 AromaticContact CE2-CE2 3.2Å; F68-Y87 HydrophobicContact CE2-CE2 3.2Å; F68-Y87 AromaticContact CE2-CZ 3.87Å; F68-Y87 AromaticContact CZ-CD2 3.5Å; F68-Y87 HydrophobicContact CZ-CD2 3.5Å; F68-Y87 AromaticContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CE2 3.55Å; F68-Y87 HydrophobicContact CZ-CG 4.34Å; L70-Y87 HydrophobicContact CD2-CD2 4.09Å; L70-Y87 HydrophobicContact CD2-CG 4.36Å; Y87-C105 WeakPolarHBondContact O-CA 3.43Å; Y87-V106 HydrophobicContact CD1-CG2 4.46Å; Y87-V106 PolarHBondContact N-O 2.92Å; Y87-V106 PolarHBondContact O-N 2.93Å |
| 88 | L | 90.9 | Very high | 85.7 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.136 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.3 | 176.7 | -64.4 | 168.4 | 0 | 0 | 0 | 108 | E20 R86 C105 | E20-L88 WeakPolarHBondContact OE2-CD2 3.21Å; R86-L88 HydrophobicContact CG-CD2 4.3Å; R86-L88 HydrophobicContact CG-CG 4.16Å; L88-C105 HydrophobicContact CD2-CB 4.13Å |
| 89 | G | 88.9 | Confident | 85.6 | Confident | 6 Ų | 6 | 72.8 Ų | 72.8 | 6% | 0.062 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 173.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R103 N104 | G89-R103 WeakPolarHBondContact O-CB 3.49Å; G89-R103 WeakPolarHBondContact O-CD 3.16Å; G89-N104 PolarHBondContact N-O 3Å |
| 90 | Q | 87.1 | Confident | 85.7 | Confident | 129 Ų | 129 | 67.4 Ų | 67.4 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 136.7 | 172.2 | -68.3 | -169.7 | -11.4 | 0 | 0 | 110.3 | E92 M208 | Q90-E92 PolarHBondContact O-N 3.1Å; Q90-M208 HydrophobicContact CG-CE 4.14Å |
| 91 | P | 87.7 | Confident | 85.9 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 136.3 | 173.2 | -27.6 | 38.3 | 0 | 0 | 0 | 111.8 | M93 L101 V102 P204 | P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.08Å; P91-L101 HydrophobicContact CB-CD1 4.05Å; P91-L101 HydrophobicContact CB-CD2 4.32Å; P91-L101 HydrophobicContact CB-CG 4.04Å; P91-L101 HydrophobicContact CG-CD1 3.86Å; P91-L101 HydrophobicContact CG-CD2 4.24Å; P91-L101 HydrophobicContact CG-CG 4.23Å; P91-V102 WeakPolarHBondContact CA-O 3.13Å; P91-P204 HydrophobicContact CB-CB 4.04Å; P91-P204 HydrophobicContact CB-CG 3.69Å; P91-P204 HydrophobicContact CG-CB 3.81Å; P91-P204 HydrophobicContact CG-CG 3.96Å |
| 92 | E | 85.9 | Confident | 85.9 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | trans | -62.5 | 113.6 | 174.3 | -67.3 | -172 | 171.1 | 0 | 0 | 109.6 | M19 Q90 R98 V102 | M19-E92 HydrophobicContact CE-CG 4.15Å; M19-E92 WeakPolarHBondContact CE-OE1 3.36Å; Q90-E92 PolarHBondContact O-N 3.1Å; E92-R98 IonicContact OE2-CZ 2.99Å; E92-R98 IonicContact OE2-NH1 3.89Å; E92-R98 PolarHBondContact OE2-NH1 2.94Å; E92-R98 IonicContact OE2-NH2 3.05Å; E92-V102 PolarHBondContact N-O 3.4Å | ||
| 93 | M | 71.9 | Confident | 85.7 | Confident | 151 Ų | 151 | 59.9 Ų | 59.9 | 74% | 0.744 | 30% | 0.301 | S | S | * | . | trans | -90.3 | 130.1 | 175.9 | -56.4 | -161.8 | 90 | 0 | 0 | 109.1 | P91 | P91-M93 PolarHBondContact O-N 3.13Å; P91-M93 VanDerWaalsContact O-N 3.08Å | ||
| 94 | G | 62.7 | Low | 85.5 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 79% | 0.794 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 139.5 | -26.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K96 | G94-K96 PolarHBondContact O-N 2.99Š|
| 95 | D | 68.4 | Low | 85.2 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 31% | 0.307 | S | S | . | . | trans | -97.4 | 99.3 | -178.1 | -161.3 | -16.5 | 0 | 0 | 0 | 111.7 | N97 R98 | D95-N97 PolarHBondContact O-N 2.74Å; D95-N97 WeakPolarHBondContact OD1-CB 3.48Å; D95-N97 PolarHBondContact OD1-N 2.85Å; D95-R98 HydrophobicContact CB-CB 4.47Å; D95-R98 HydrophobicContact CB-CG 4.04Å; D95-R98 WeakPolarHBondContact OD2-CG 3.4Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.53Å; D95-R98 PolarHBondContact OD2-NE 2.85Å; D95-R98 IonicContact OD2-NH2 2.98Å | ||
| 96 | K | 69.4 | Low | 85 | Confident | 203 Ų | 203 | 61.1 Ų | 61.1 | 88% | 0.883 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70.6 | -18.8 | 176 | -69.3 | -174.5 | 179 | 180 | 0 | 112.8 | G94 | G94-K96 PolarHBondContact O-N 2.99Š|
| 97 | N | 72.8 | Confident | 84.9 | Confident | 134 Ų | 134 | 61.6 Ų | 61.6 | 72% | 0.717 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -82.4 | -21.5 | -178 | -66 | -19.3 | 0 | 0 | 0 | 111.7 | D95 H99 | D95-N97 PolarHBondContact O-N 2.74Å; D95-N97 WeakPolarHBondContact OD1-CB 3.48Å; D95-N97 PolarHBondContact OD1-N 2.85Å; N97-H99 PolarHBondContact O-N 2.85Å |
| 98 | R | 80.5 | Confident | 84.9 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -70.5 | 126.5 | 177.2 | -72.9 | -176.5 | -155.6 | 179.1 | 3.9 | 112 | E92 D95 | E92-R98 IonicContact OE2-CZ 2.99Å; E92-R98 IonicContact OE2-NH1 3.89Å; E92-R98 PolarHBondContact OE2-NH1 2.94Å; E92-R98 IonicContact OE2-NH2 3.05Å; D95-R98 HydrophobicContact CB-CB 4.47Å; D95-R98 HydrophobicContact CB-CG 4.04Å; D95-R98 WeakPolarHBondContact OD2-CG 3.4Å; D95-R98 IonicContact OD2-CZ 2.73Å; D95-R98 IonicContact OD2-NE 3.53Å; D95-R98 PolarHBondContact OD2-NE 2.85Å; D95-R98 IonicContact OD2-NH2 2.98Å | ||
| 99 | H | 87.4 | Confident | 85.2 | Confident | 66 Ų | 66 | 63.4 Ų | 63.4 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -77.3 | -27.3 | -179.3 | -60.3 | -51.5 | 0 | 0 | 0 | 112.8 | L23 N97 S183 D184 K187 K201 | L23-H99 WeakPolarHBondContact CD2-O 3.31Å; N97-H99 PolarHBondContact O-N 2.85Å; H99-S183 WeakPolarHBondContact CB-OG 3.32Å; H99-S183 PolarHBondContact N-OG 3.41Å; H99-S183 VanDerWaalsContact N-OG 3.1Å; H99-D184 IonicContact CD2-OD1 3.44Å; H99-D184 PolarHBondContact CD2-OD1 3.42Å; H99-D184 IonicContact NE2-OD1 3.32Å; H99-K187 HydrophobicContact CB-CB 4.06Å; H99-K187 HydrophobicContact CB-CD 4.03Å; H99-K187 WeakPolarHBondContact CD2-CD 3.43Å; H99-K187 PolarHBondContact CE1-NZ 3.13Å; H99-K187 VanDerWaalsContact CG-CD 3.4Å; H99-K187 WeakPolarHBondContact NE2-CD 3.4Å; H99-K187 PolarHBondContact NE2-NZ 2.75Å; H99-K201 WeakPolarHBondContact O-CB 3.29Å |
| 100 | A | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -103.7 | 156.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y21 L23 S183 M186 K201 | Y21-A100 HydrophobicContact CD1-CB 4.41Å; L23-A100 HydrophobicContact CD2-CB 4.13Å; L23-A100 HydrophobicContact CG-CB 4.3Å; A100-S183 PolarHBondContact N-OG 2.81Å; A100-S183 VanDerWaalsContact N-OG 3.13Å; A100-M186 HydrophobicContact CB-CE 4.42Å; A100-M186 HydrophobicContact CB-SD 4.4Å; A100-K201 WeakPolarHBondContact O-CD 3.38Å; A100-K201 PolarHBondContact O-NZ 2.97Å |
| 101 | L | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 134.6 | 161.7 | -178.4 | 146.7 | 0 | 0 | 0 | 108.2 | Y21 L22 P91 R103 K201 L207 | Y21-L101 CarbonylContact C-O 3.57Å; Y21-L101 VanDerWaalsContact CA-O 3.25Å; Y21-L101 WeakPolarHBondContact CA-O 3.34Å; L22-L101 HydrophobicContact CB-CB 4.37Å; L22-L101 HydrophobicContact CB-CD2 4.36Å; L22-L101 PolarHBondContact N-O 2.97Å; L22-L101 PolarHBondContact O-N 2.88Å; P91-L101 HydrophobicContact CB-CD1 4.05Å; P91-L101 HydrophobicContact CB-CD2 4.32Å; P91-L101 HydrophobicContact CB-CG 4.04Å; P91-L101 HydrophobicContact CG-CD1 3.86Å; P91-L101 HydrophobicContact CG-CD2 4.24Å; P91-L101 HydrophobicContact CG-CG 4.23Å; L101-R103 HydrophobicContact CD2-CB 4.29Å; L101-R103 HydrophobicContact CD2-CG 3.86Å; L101-K201 HydrophobicContact CB-CG 4.08Å; L101-L207 HydrophobicContact CD1-CD1 3.61Å |
| 102 | V | 91.7 | Very high | 86.1 | Confident | 3 Ų | 3 | 68.8 Ų | 68.8 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.8 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | M19 E20 Y21 P91 E92 | M19-V102 HydrophobicContact CB-CG1 4.07Å; M19-V102 HydrophobicContact CE-CG1 3.57Å; M19-V102 HydrophobicContact CG-CG1 4.45Å; E20-V102 WeakPolarHBondContact O-CA 3.44Å; Y21-V102 HydrophobicContact CD1-CG2 3.59Å; Y21-V102 HydrophobicContact CE1-CG1 4.44Å; Y21-V102 HydrophobicContact CE1-CG2 3.71Å; Y21-V102 HydrophobicContact CG-CG2 4.24Å; P91-V102 WeakPolarHBondContact CA-O 3.13Å; E92-V102 PolarHBondContact N-O 3.4Å |
| 103 | R | 91.1 | Very high | 86.6 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156 | 178.8 | 61 | -178.7 | 171.6 | -167.7 | -2.9 | 111.9 | M19 E20 G89 L101 C105 | M19-R103 CarbonylContact C-O 3.59Å; M19-R103 WeakPolarHBondContact CA-O 3.47Å; E20-R103 HydrophobicContact CB-CG 4.37Å; E20-R103 PolarHBondContact N-O 3.48Å; E20-R103 PolarHBondContact O-N 3.39Å; E20-R103 VanDerWaalsContact O-N 3.08Å; E20-R103 IonicContact OE2-CZ 3.54Å; E20-R103 VanDerWaalsContact OE2-CZ 3.24Å; E20-R103 IonicContact OE2-NE 3.22Å; E20-R103 PolarHBondContact OE2-NE 3.03Å; E20-R103 IonicContact OE2-NH2 2.59Å; E20-R103 PolarHBondContact OE2-NH2 3.37Å; G89-R103 WeakPolarHBondContact O-CB 3.49Å; G89-R103 WeakPolarHBondContact O-CD 3.16Å; L101-R103 HydrophobicContact CD2-CB 4.29Å; L101-R103 HydrophobicContact CD2-CG 3.86Å; R103-C105 PolarHBondContact O-N 3.24Å |
| 104 | N | 91.7 | Very high | 87.7 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 40% | 0.401 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 137.3 | 169.8 | -77.6 | -45.2 | 0 | 0 | 0 | 110.5 | M19 G89 | M19-N104 PolarHBondContact SD-OD1 3.1Å; G89-N104 PolarHBondContact N-O 3Å |
| 105 | C | 92.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129.3 | 178.2 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | M18 E20 Y87 L88 R103 | M18-C105 PolarHBondContact O-N 3.38Å; E20-C105 HydrophobicContact CB-CB 3.61Å; Y87-C105 WeakPolarHBondContact O-CA 3.43Å; L88-C105 HydrophobicContact CD2-CB 4.13Å; R103-C105 PolarHBondContact O-N 3.24Å |
| 106 | V | 93.3 | Very high | 90.6 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.1 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | R86 Y87 I108 | R86-V106 CarbonylContact C-O 3.49Å; R86-V106 VanDerWaalsContact CA-O 3.23Å; R86-V106 WeakPolarHBondContact CA-O 3.32Å; Y87-V106 HydrophobicContact CD1-CG2 4.46Å; Y87-V106 PolarHBondContact N-O 2.92Å; Y87-V106 PolarHBondContact O-N 2.93Å; V106-I108 HydrophobicContact CG1-CG2 4.04Å |
| 107 | D | 92.9 | Very high | 92 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 118.2 | 176.5 | -171.1 | -29.7 | 0 | 0 | 0 | 107.5 | H84 L85 R86 | H84-D107 IonicContact CE1-OD1 3.99Å; H84-D107 IonicContact CG-OD1 3.99Å; H84-D107 IonicContact ND1-OD1 2.96Å; H84-D107 PolarHBondContact ND1-OD1 3Å; L85-D107 WeakPolarHBondContact O-CA 3.42Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 VanDerWaalsContact CZ-OD2 3.22Å; R86-D107 IonicContact NE-OD2 3.15Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 IonicContact NH2-OD2 2.86Å; R86-D107 PolarHBondContact NH2-OD2 2.95Å |
| 108 | I | 94.5 | Very high | 93.1 | Very high | 75 Ų | 75 | 49.5 Ų | 49.5 | 39% | 0.385 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.2 | -175.5 | 60.3 | 170.8 | 0 | 0 | 0 | 110.5 | H84 L85 V106 T110 | H84-I108 CarbonylContact C-O 3.58Å; H84-I108 VanDerWaalsContact CA-O 3.28Å; H84-I108 WeakPolarHBondContact CA-O 3.39Å; L85-I108 HydrophobicContact CB-CG1 4.06Å; L85-I108 PolarHBondContact N-O 2.86Å; L85-I108 PolarHBondContact O-N 3.19Å; V106-I108 HydrophobicContact CG1-CG2 4.04Å; I108-T110 HydrophobicContact CD1-CG2 4.25Å; I108-T110 HydrophobicContact CG1-CG2 4.12Å |
| 109 | A | 96.1 | Very high | 93.8 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 141.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P82 W83 | P82-A109 HydrophobicContact CB-CB 4.11Å; P82-A109 HydrophobicContact CG-CB 4.04Å; W83-A109 CarbonylContact O-C 3.57Å; W83-A109 VanDerWaalsContact O-CA 3.31Å; W83-A109 WeakPolarHBondContact O-CA 3.2Å |
| 110 | T | 95.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 169.5 | -177.8 | 68.1 | 0 | 0 | 0 | 0 | 111 | W83 L85 I108 L114 | W83-T110 VanDerWaalsContact CB-OG1 3.29Å; W83-T110 WeakPolarHBondContact CB-OG1 3.48Å; W83-T110 PolarHBondContact N-O 2.96Å; W83-T110 PolarHBondContact O-N 3.47Å; W83-T110 PolarHBondContact O-OG1 3.06Å; L85-T110 HydrophobicContact CB-CG2 3.86Å; I108-T110 HydrophobicContact CD1-CG2 4.25Å; I108-T110 HydrophobicContact CG1-CG2 4.12Å; T110-L114 HydrophobicContact CG2-CD1 4.26Å; T110-L114 WeakPolarHBondContact OG1-CD2 3.39Å |
| 111 | S | 94.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 61 Ų | 61 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | trans | -75 | 171.9 | 172.7 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | N113 L114 | S111-N113 VanDerWaalsContact C-N 3.26Å; S111-N113 WeakPolarHBondContact CB-OD1 3.29Å; S111-N113 PolarHBondContact O-N 2.59Å; S111-N113 PolarHBondContact OG-OD1 2.91Å; S111-L114 PolarHBondContact O-N 2.67Å | ||
| 112 | E | 93.3 | Very high | 94.7 | Very high | 157 Ų | 157 | 63 Ų | 63 | 73% | 0.734 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -21.5 | -175 | -61.7 | -178.9 | 171.8 | 0 | 0 | 114.7 | L114 | E112-L114 PolarHBondContact O-N 3.3Š|
| 113 | N | 95.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 15.1 | 179.9 | 69.7 | -38.6 | 0 | 0 | 0 | 113.9 | S111 T115 D116 F117 | S111-N113 VanDerWaalsContact C-N 3.26Å; S111-N113 WeakPolarHBondContact CB-OD1 3.29Å; S111-N113 PolarHBondContact O-N 2.59Å; S111-N113 PolarHBondContact OG-OD1 2.91Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 2.93Å; N113-D116 PolarHBondContact O-N 3.06Å; N113-F117 VanDerWaalsContact O-CB 3.3Å; N113-F117 WeakPolarHBondContact O-CB 3.42Å; N113-F117 PolarHBondContact O-N 3.2Å |
| 114 | L | 96.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.3 | -44.7 | -175 | 175.7 | 61.8 | 0 | 0 | 0 | 112.3 | A72 W83 L85 T110 S111 E112 F117 L118 | A72-L114 HydrophobicContact CB-CD2 3.65Å; A72-L114 HydrophobicContact CB-CG 4.37Å; W83-L114 HydrophobicContact CB-CB 4.33Å; W83-L114 HydrophobicContact CB-CD2 4.13Å; W83-L114 HydrophobicContact CE3-CD2 4.25Å; L85-L114 HydrophobicContact CB-CD1 4.12Å; L85-L114 HydrophobicContact CB-CD2 4.03Å; L85-L114 HydrophobicContact CD1-CD1 4.18Å; L85-L114 HydrophobicContact CD1-CD2 4.34Å; L85-L114 HydrophobicContact CD2-CD1 4.14Å; L85-L114 HydrophobicContact CG-CD1 4.38Å; T110-L114 HydrophobicContact CG2-CD1 4.26Å; T110-L114 WeakPolarHBondContact OG1-CD2 3.39Å; S111-L114 PolarHBondContact O-N 2.67Å; E112-L114 PolarHBondContact O-N 3.3Å; L114-F117 PolarHBondContact O-N 2.8Å; L114-L118 HydrophobicContact CD1-CD1 4.09Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.66Å |
| 115 | T | 95.6 | Very high | 95.3 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 14% | 0.135 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.4 | -46 | -176.1 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | M56 F58 W83 N113 L118 M119 | M56-T115 HydrophobicContact CE-CG2 4.16Å; M56-T115 HydrophobicContact SD-CG2 3.48Å; M56-T115 WeakPolarHBondContact SD-CG2 3.43Å; F58-T115 HydrophobicContact CE2-CG2 4.49Å; F58-T115 HydrophobicContact CZ-CG2 4.11Å; W83-T115 HydrophobicContact CH2-CG2 3.66Å; W83-T115 HydrophobicContact CZ2-CG2 4.49Å; W83-T115 HydrophobicContact CZ3-CG2 3.7Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 2.93Å; T115-L118 PolarHBondContact O-N 3.28Å; T115-M119 WeakPolarHBondContact O-CG 3.35Å; T115-M119 PolarHBondContact O-N 2.9Å |
| 116 | D | 96.6 | Very high | 95.4 | Very high | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 178.6 | -61.1 | -23 | 0 | 0 | 0 | 110.2 | N113 L118 M119 E120 | N113-D116 PolarHBondContact O-N 3.06Å; D116-L118 VanDerWaalsContact C-N 3.34Å; D116-L118 PolarHBondContact O-N 2.95Å; D116-M119 PolarHBondContact O-N 3.05Å; D116-M119 VanDerWaalsContact O-N 3.16Å; D116-E120 WeakPolarHBondContact O-CG 3.4Å; D116-E120 PolarHBondContact O-N 3.32Å |
| 117 | F | 97.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 78.5 Ų | 78.5 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 175.8 | 176.4 | -106.6 | 0 | 0 | 0 | 112.4 | N113 L114 M119 E120 M121 | N113-F117 VanDerWaalsContact O-CB 3.3Å; N113-F117 WeakPolarHBondContact O-CB 3.42Å; N113-F117 PolarHBondContact O-N 3.2Å; L114-F117 PolarHBondContact O-N 2.8Å; F117-M119 PolarHBondContact O-N 2.84Å; F117-E120 PolarHBondContact O-N 2.84Å; F117-M121 HydrophobicContact CD1-SD 4.04Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.29Å; F117-M121 WeakPolarHBondContact CE1-SD 3.21Å; F117-M121 HydrophobicContact CE2-CG 4.27Å; F117-M121 HydrophobicContact CE2-SD 4.21Å; F117-M121 HydrophobicContact CZ-CG 4.04Å; F117-M121 HydrophobicContact CZ-SD 3.4Å; F117-M121 WeakPolarHBondContact CZ-SD 3.37Å; F117-M121 WeakPolarHBondContact O-CG 3.33Å; F117-M121 PolarHBondContact O-N 2.75Å |
| 118 | L | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 77.2 Ų | 77.2 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.8 | -71.8 | 175.9 | 0 | 0 | 0 | 111.9 | F58 L70 A72 L85 L114 T115 D116 M121 G122 F123 | F58-L118 HydrophobicContact CB-CD1 4.46Å; F58-L118 HydrophobicContact CD1-CB 4.24Å; F58-L118 HydrophobicContact CD1-CD1 4.35Å; F58-L118 HydrophobicContact CD2-CD1 3.7Å; F58-L118 HydrophobicContact CE1-CB 4.37Å; F58-L118 HydrophobicContact CE2-CD1 3.94Å; F58-L118 HydrophobicContact CG-CD1 3.92Å; F58-L118 HydrophobicContact CZ-CD1 4.38Å; L70-L118 HydrophobicContact CD1-CD2 3.76Å; A72-L118 HydrophobicContact CB-CD1 4.44Å; L85-L118 HydrophobicContact CD1-CD1 4.04Å; L85-L118 HydrophobicContact CD1-CD2 4.37Å; L114-L118 HydrophobicContact CD1-CD1 4.09Å; L114-L118 HydrophobicContact CD1-CG 4.06Å; L114-L118 HydrophobicContact CG-CD1 4.11Å; L114-L118 HydrophobicContact CG-CG 4.46Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 2.66Å; T115-L118 PolarHBondContact O-N 3.28Å; D116-L118 VanDerWaalsContact C-N 3.34Å; D116-L118 PolarHBondContact O-N 2.95Å; L118-M121 PolarHBondContact O-N 3.46Å; L118-G122 PolarHBondContact O-N 3.46Å; L118-F123 HydrophobicContact CB-CB 4.3Å; L118-F123 HydrophobicContact CD2-CD2 4.23Å; L118-F123 HydrophobicContact CD2-CE2 4.44Å; L118-F123 VanDerWaalsContact O-CB 3.31Å; L118-F123 WeakPolarHBondContact O-CB 3.49Å; L118-F123 PolarHBondContact O-N 3.41Å |
| 119 | M | 95.7 | Very high | 95.8 | Very high | 98 Ų | 98 | 74.8 Ų | 74.8 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.2 | -68.2 | -173.4 | -166.9 | 0 | 0 | 111.8 | F58 T115 D116 F117 M121 G122 | F58-M119 HydrophobicContact CE1-CE 4.25Å; F58-M119 HydrophobicContact CE1-CG 4.39Å; T115-M119 WeakPolarHBondContact O-CG 3.35Å; T115-M119 PolarHBondContact O-N 2.9Å; D116-M119 PolarHBondContact O-N 3.05Å; D116-M119 VanDerWaalsContact O-N 3.16Å; F117-M119 PolarHBondContact O-N 2.84Å; M119-M121 VanDerWaalsContact C-N 3.29Å; M119-M121 PolarHBondContact O-N 2.84Å; M119-G122 WeakPolarHBondContact O-CA 2.93Å; M119-G122 PolarHBondContact O-N 3.05Å |
| 120 | E | 97.1 | Very high | 95.9 | Very high | 165 Ų | 165 | 72 Ų | 72 | 77% | 0.771 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64 | -33.2 | 175 | -72.5 | -179 | -175.5 | 0 | 0 | 112.6 | D116 F117 G122 | D116-E120 WeakPolarHBondContact O-CG 3.4Å; D116-E120 PolarHBondContact O-N 3.32Å; F117-E120 PolarHBondContact O-N 2.84Å; E120-G122 PolarHBondContact O-N 3.29Å |
| 121 | M | 95.6 | Very high | 96 | Very high | 105 Ų | 105 | 70.6 Ų | 70.6 | 52% | 0.517 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -6.1 | 171.1 | -73.3 | -171.1 | 73.8 | 0 | 0 | 113.8 | F117 L118 M119 F123 | F117-M121 HydrophobicContact CD1-SD 4.04Å; F117-M121 HydrophobicContact CE1-CG 4.21Å; F117-M121 HydrophobicContact CE1-SD 3.29Å; F117-M121 WeakPolarHBondContact CE1-SD 3.21Å; F117-M121 HydrophobicContact CE2-CG 4.27Å; F117-M121 HydrophobicContact CE2-SD 4.21Å; F117-M121 HydrophobicContact CZ-CG 4.04Å; F117-M121 HydrophobicContact CZ-SD 3.4Å; F117-M121 WeakPolarHBondContact CZ-SD 3.37Å; F117-M121 WeakPolarHBondContact O-CG 3.33Å; F117-M121 PolarHBondContact O-N 2.75Å; L118-M121 PolarHBondContact O-N 3.46Å; M119-M121 VanDerWaalsContact C-N 3.29Å; M119-M121 PolarHBondContact O-N 2.84Å; M121-F123 HydrophobicContact CB-CD2 4.05Å; M121-F123 HydrophobicContact CB-CE2 4.36Å |
| 122 | G | 95.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 72.7 Ų | 72.7 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 7.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L60 L118 M119 E120 | L60-G122 WeakPolarHBondContact CD1-O 3.46Å; L118-G122 PolarHBondContact O-N 3.46Å; M119-G122 WeakPolarHBondContact O-CA 2.93Å; M119-G122 PolarHBondContact O-N 3.05Å; E120-G122 PolarHBondContact O-N 3.29Å |
| 123 | F | 96.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | trans | -69.1 | 150.8 | 169.2 | -73.4 | -103.4 | 0 | 0 | 0 | 110.6 | F58 L59 L60 F68 L70 L118 M121 | F58-F123 HydrophobicContact CB-CB 4.1Å; F58-F123 HydrophobicContact CB-CD1 3.92Å; F58-F123 HydrophobicContact CB-CG 4.38Å; F58-F123 HydrophobicContact CD1-CB 4.15Å; L59-F123 WeakPolarHBondContact O-CA 3.45Å; L60-F123 HydrophobicContact CB-CD1 3.66Å; L60-F123 HydrophobicContact CB-CD2 4.3Å; L60-F123 HydrophobicContact CB-CE1 3.48Å; L60-F123 VanDerWaalsContact CB-CE1 3.48Å; L60-F123 HydrophobicContact CB-CE2 4.15Å; L60-F123 HydrophobicContact CB-CG 4.06Å; L60-F123 HydrophobicContact CB-CZ 3.73Å; L60-F123 HydrophobicContact CD1-CD2 4.46Å; L60-F123 HydrophobicContact CD2-CE2 4.01Å; L60-F123 HydrophobicContact CD2-CZ 3.98Å; L60-F123 HydrophobicContact CG-CZ 4.43Å; F68-F123 AromaticContact CD1-CE1 3.69Å; F68-F123 HydrophobicContact CD1-CE1 3.69Å; F68-F123 AromaticContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CD1-CZ 3.65Å; F68-F123 HydrophobicContact CE1-CE1 4.17Å; F68-F123 AromaticContact CE1-CZ 3.88Å; F68-F123 HydrophobicContact CE1-CZ 3.88Å; L70-F123 HydrophobicContact CB-CE1 4.22Å; L70-F123 HydrophobicContact CD1-CD1 4.28Å; L70-F123 HydrophobicContact CD1-CE1 3.49Å; L70-F123 VanDerWaalsContact CD1-CE1 3.49Å; L70-F123 HydrophobicContact CD1-CE2 4.01Å; L70-F123 HydrophobicContact CD1-CZ 3.34Å; L70-F123 HydrophobicContact CG-CE1 3.7Å; L70-F123 HydrophobicContact CG-CZ 3.99Å; L118-F123 HydrophobicContact CB-CB 4.3Å; L118-F123 HydrophobicContact CD2-CD2 4.23Å; L118-F123 HydrophobicContact CD2-CE2 4.44Å; L118-F123 VanDerWaalsContact O-CB 3.31Å; L118-F123 WeakPolarHBondContact O-CB 3.49Å; L118-F123 PolarHBondContact O-N 3.41Å; M121-F123 HydrophobicContact CB-CD2 4.05Å; M121-F123 HydrophobicContact CB-CE2 4.36Å | ||
| 124 | R | 95.6 | Very high | 96.5 | Very high | 195 Ų | 195 | 63.8 Ų | 63.8 | 74% | 0.736 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.4 | 170.9 | -61 | -172.5 | -176.6 | -173.4 | 0.5 | 109.3 | F58 L59 D126 | F58-R124 CarbonylContact C-O 3.51Å; F58-R124 WeakPolarHBondContact CA-O 3.41Å; L59-R124 PolarHBondContact N-O 2.78Å; L59-R124 PolarHBondContact O-N 2.62Å; R124-D126 PolarHBondContact O-N 2.86Å |
| 125 | M | 95.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 38% | 0.384 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 129.2 | 169.4 | -171.9 | 178.3 | 69.3 | 0 | 0 | 108.8 | F58 E128 | F58-M125 HydrophobicContact CD1-CB 4.17Å; F58-M125 HydrophobicContact CE1-CB 3.87Å; F58-M125 HydrophobicContact CE1-CG 4.48Å; F58-M125 HydrophobicContact CZ-CB 4.36Å; M125-E128 HydrophobicContact SD-CB 4.42Å |
| 126 | D | 94.9 | Very high | 96.7 | Very high | 98 Ų | 98 | 63.7 Ų | 63.7 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -53.7 | 179.6 | -179.7 | 61.4 | 0 | 0 | 0 | 110.9 | V57 L59 R124 | V57-D126 PolarHBondContact O-N 3.42Å; L59-D126 HydrophobicContact CD1-CB 3.55Å; L59-D126 VanDerWaalsContact CD1-CG 3.47Å; L59-D126 WeakPolarHBondContact CD1-OD1 3.24Å; L59-D126 HydrophobicContact CG-CB 3.7Å; R124-D126 PolarHBondContact O-N 2.86Å |
| 127 | H | 94.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 65.6 Ų | 65.6 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 161.8 | 174.3 | 61.8 | -85 | 0 | 0 | 0 | 111 | V57 F129 | V57-H127 VanDerWaalsContact CG2-NE2 3.35Å; V57-H127 WeakPolarHBondContact CG2-NE2 3.48Å; V57-H127 PolarHBondContact N-O 2.84Å; H127-F129 AromaticContact CD2-CD1 3.96Å |
| 128 | E | 96.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 64 Ų | 64 | 11% | 0.112 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.7 | 175 | 57.9 | 178.4 | 164.7 | 0 | 0 | 110 | H54 E55 M56 M125 I151 P154 G155 | H54-E128 IonicContact CE1-OE2 3.81Å; H54-E128 PolarHBondContact CE1-OE2 2.99Å; H54-E128 IonicContact NE2-OE2 3.49Å; H54-E128 PolarHBondContact NE2-OE2 3.49Å; E55-E128 CarbonylContact O-C 3.54Å; E55-E128 WeakPolarHBondContact O-CA 3.41Å; E55-E128 WeakPolarHBondContact O-CB 3.36Å; M56-E128 HydrophobicContact CG-CB 4.07Å; M125-E128 HydrophobicContact SD-CB 4.42Å; E128-I151 HydrophobicContact CB-CD1 4.11Å; E128-I151 HydrophobicContact CG-CB 4.4Å; E128-I151 HydrophobicContact CG-CD1 3.69Å; E128-P154 VanDerWaalsContact OE1-CA 3.23Å; E128-P154 WeakPolarHBondContact OE1-CA 3.3Å; E128-G155 PolarHBondContact OE1-N 3.48Å |
| 129 | F | 97.7 | Very high | 96.3 | Very high | 25 Ų | 25 | 67.6 Ų | 67.6 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 161.8 | 179.8 | 60.8 | -88.3 | 0 | 0 | 0 | 111.1 | H54 E55 V57 H127 A131 I148 F149 | H54-F129 PolarHBondContact CD2-O 3.1Å; E55-F129 HydrophobicContact CB-CD1 4.34Å; E55-F129 HydrophobicContact CB-CD2 4.19Å; E55-F129 HydrophobicContact CB-CE1 3.84Å; E55-F129 HydrophobicContact CB-CE2 3.67Å; E55-F129 HydrophobicContact CB-CZ 3.47Å; E55-F129 VanDerWaalsContact CB-CZ 3.47Å; E55-F129 HydrophobicContact CG-CE2 4.11Å; E55-F129 HydrophobicContact CG-CZ 4.1Å; E55-F129 PolarHBondContact N-O 3.29Å; E55-F129 PolarHBondContact O-N 3.26Å; V57-F129 HydrophobicContact CG2-CE1 4.32Å; H127-F129 AromaticContact CD2-CD1 3.96Å; F129-A131 HydrophobicContact CD2-CB 4.43Å; F129-A131 HydrophobicContact CE2-CB 4.21Å; F129-I148 HydrophobicContact CB-CG2 4.03Å; F129-I148 HydrophobicContact CD2-CG2 3.81Å; F129-I148 HydrophobicContact CG-CG2 4.05Å; F129-F149 WeakPolarHBondContact CB-O 3.42Å |
| 130 | V | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.7 | 171.7 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | L52 D53 M76 F149 I151 T157 T160 | L52-V130 HydrophobicContact CD1-CG1 3.43Å; L52-V130 VanDerWaalsContact CD1-CG1 3.43Å; L52-V130 HydrophobicContact CG-CG1 4.36Å; D53-V130 CarbonylContact O-C 3.54Å; D53-V130 WeakPolarHBondContact O-CA 3.35Å; M76-V130 HydrophobicContact SD-CG1 4.36Å; M76-V130 HydrophobicContact SD-CG2 4.12Å; V130-F149 HydrophobicContact CB-CB 4.24Å; V130-F149 PolarHBondContact N-O 2.84Å; V130-F149 PolarHBondContact O-N 2.99Å; V130-I151 HydrophobicContact CG2-CD1 4.21Å; V130-I151 HydrophobicContact CG2-CG1 4.28Å; V130-T157 HydrophobicContact CG2-CG2 4.28Å; V130-T160 HydrophobicContact CB-CG2 4.44Å; V130-T160 HydrophobicContact CG2-CG2 4.01Å |
| 131 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.4 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | F51 L52 D53 F129 Y146 | F51-A131 HydrophobicContact CE2-CB 4.06Å; L52-A131 WeakPolarHBondContact CA-O 3.48Å; D53-A131 PolarHBondContact N-O 3.24Å; D53-A131 PolarHBondContact O-N 3.32Å; F129-A131 HydrophobicContact CD2-CB 4.43Å; F129-A131 HydrophobicContact CE2-CB 4.21Å; A131-Y146 HydrophobicContact CB-CD2 3.9Å; A131-Y146 HydrophobicContact CB-CE2 4.22Å |
| 132 | K | 97.9 | Very high | 96.3 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.3 | 178.5 | -175.5 | -178.3 | 178.4 | 176 | 0 | 110.5 | F51 L52 Y146 K147 F149 | F51-K132 WeakPolarHBondContact O-CA 3.27Å; L52-K132 HydrophobicContact CD1-CB 3.75Å; L52-K132 HydrophobicContact CD1-CD 4.16Å; L52-K132 HydrophobicContact CD1-CG 3.95Å; K132-Y146 CarbonylContact O-C 3.57Å; K132-Y146 VanDerWaalsContact O-CA 3.32Å; K132-Y146 WeakPolarHBondContact O-CA 3.37Å; K132-Y146 WeakPolarHBondContact O-CB 3.49Å; K132-K147 PolarHBondContact N-O 3.08Å; K132-K147 PolarHBondContact O-N 2.87Å; K132-F149 HydrophobicContact CB-CD2 4.42Å; K132-F149 HydrophobicContact CB-CE2 3.94Å |
| 133 | G | 97.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | -157.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116.5 | T50 F51 V145 | T50-G133 WeakPolarHBondContact CA-O 3.01Å; F51-G133 PolarHBondContact N-O 2.71Å; F51-G133 PolarHBondContact O-N 2.63Å; G133-V145 CarbonylContact C-O 3.43Å; G133-V145 WeakPolarHBondContact CA-O 3.47Å |
| 134 | H | 97.9 | Very high | 96.5 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.5 | -176.1 | -60.4 | -78.5 | 0 | 0 | 0 | 110.2 | I36 P48 E49 F136 M144 V145 | I36-H134 HydrophobicContact CD1-CB 3.87Å; P48-H134 HydrophobicContact CB-CB 3.92Å; P48-H134 HydrophobicContact CG-CB 4.4Å; E49-H134 CarbonylContact O-C 3.55Å; E49-H134 WeakPolarHBondContact O-CA 3.25Å; H134-F136 HydrophobicContact CB-CE2 3.95Å; H134-M144 WeakPolarHBondContact O-CA 3.43Å; H134-V145 PolarHBondContact N-O 3.01Å; H134-V145 PolarHBondContact O-N 2.91Å |
| 135 | L | 97.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 120.4 | 179.4 | 169.4 | 58.5 | 0 | 0 | 0 | 109.2 | E49 F51 K142 I143 M144 | E49-L135 HydrophobicContact CB-CB 4.23Å; E49-L135 PolarHBondContact N-O 3.39Å; E49-L135 PolarHBondContact O-N 2.76Å; E49-L135 WeakPolarHBondContact OE2-CD2 3.46Å; F51-L135 HydrophobicContact CD1-CB 4.24Å; L135-K142 HydrophobicContact CD1-CD 3.92Å; L135-K142 HydrophobicContact CD1-CG 3.37Å; L135-I143 WeakPolarHBondContact CA-O 3.42Å; L135-M144 HydrophobicContact CD1-CG 3.91Å |
| 136 | F | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153 | 172.7 | -59.7 | -100.9 | 0 | 0 | 0 | 110.3 | I36 L39 R40 C43 P48 H134 I143 | I36-F136 HydrophobicContact CD1-CE2 3.6Å; I36-F136 HydrophobicContact CD1-CZ 3.74Å; I36-F136 HydrophobicContact CG2-CZ 4.2Å; L39-F136 HydrophobicContact CB-CD1 4.02Å; L39-F136 HydrophobicContact CB-CD2 4.17Å; L39-F136 HydrophobicContact CB-CE1 3.77Å; L39-F136 HydrophobicContact CB-CE2 3.94Å; L39-F136 HydrophobicContact CB-CG 4.2Å; L39-F136 HydrophobicContact CB-CZ 3.7Å; L39-F136 HydrophobicContact CD1-CD2 3.89Å; L39-F136 HydrophobicContact CD1-CE2 3.7Å; L39-F136 HydrophobicContact CD1-CZ 4.27Å; L39-F136 HydrophobicContact CG-CE2 4.47Å; R40-F136 HydrophobicContact CG-CE1 3.87Å; C43-F136 HydrophobicContact CB-CB 4.39Å; C43-F136 HydrophobicContact CB-CD1 4.3Å; P48-F136 HydrophobicContact CB-CD1 4Å; P48-F136 HydrophobicContact CB-CD2 4.06Å; P48-F136 HydrophobicContact CB-CE1 3.62Å; P48-F136 HydrophobicContact CB-CE2 3.68Å; P48-F136 HydrophobicContact CB-CG 4.22Å; P48-F136 HydrophobicContact CB-CZ 3.46Å; P48-F136 VanDerWaalsContact CB-CZ 3.46Å; P48-F136 HydrophobicContact CG-CE1 3.82Å; P48-F136 HydrophobicContact CG-CE2 4.19Å; P48-F136 HydrophobicContact CG-CZ 3.57Å; H134-F136 HydrophobicContact CB-CE2 3.95Å; F136-I143 HydrophobicContact CB-CB 4.22Å; F136-I143 PolarHBondContact N-O 3.46Å; F136-I143 PolarHBondContact O-N 3.49Å |
| 137 | R | 95.7 | Very high | 96.9 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.1 | 174.2 | -67.9 | -178 | 175.4 | 83.8 | -5.7 | 110 | E49 M141 | E49-R137 IonicContact OE2-CZ 3.55Å; E49-R137 IonicContact OE2-NH1 2.66Å; E49-R137 PolarHBondContact OE2-NH1 2.94Å; E49-R137 IonicContact OE2-NH2 3.61Å; R137-M141 WeakPolarHBondContact CA-O 3.49Å |
| 138 | K | 94.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 39.3 Ų | 39.3 | 29% | 0.291 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 102.5 | 168.7 | -177.7 | 176.4 | -170.9 | 152.6 | 0 | 108.6 | L42 I140 M141 F189 | L42-K138 VanDerWaalsContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CD 3.3Å; L42-K138 WeakPolarHBondContact O-CE 3.19Å; L42-K138 PolarHBondContact O-NZ 2.82Å; K138-I140 PolarHBondContact O-N 2.92Å; K138-M141 PolarHBondContact N-O 3.13Å; K138-M141 WeakPolarHBondContact O-CB 3.42Å; K138-M141 PolarHBondContact O-N 3.22Å; K138-F189 HydrophobicContact CD-CD2 3.78Å; K138-F189 HydrophobicContact CD-CE2 3.55Å |
| 139 | G | 93.2 | Very high | 97.1 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 79% | 0.794 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -121.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 140 | I | 93.3 | Very high | 97.1 | Very high | 121 Ų | 121 | 45.2 Ų | 45.2 | 62% | 0.621 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -6.9 | 177.6 | 65.9 | 174.6 | 0 | 0 | 0 | 113.9 | K138 V173 | K138-I140 PolarHBondContact O-N 2.92Å; I140-V173 HydrophobicContact CD1-CG1 3.63Å; I140-V173 HydrophobicContact CG1-CG1 3.95Å; I140-V173 HydrophobicContact CG1-CG2 4.46Å |
| 141 | M | 96.1 | Very high | 97 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.6 | 178.6 | -63.3 | -177 | -167 | 0 | 0 | 110.7 | R137 K138 I143 L171 V173 D185 F189 | R137-M141 WeakPolarHBondContact CA-O 3.49Å; K138-M141 PolarHBondContact N-O 3.13Å; K138-M141 WeakPolarHBondContact O-CB 3.42Å; K138-M141 PolarHBondContact O-N 3.22Å; M141-I143 HydrophobicContact CB-CD1 4.12Å; M141-L171 HydrophobicContact CB-CD1 3.88Å; M141-L171 HydrophobicContact CG-CD1 4.24Å; M141-L171 HydrophobicContact SD-CD1 4.17Å; M141-V173 HydrophobicContact CB-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 3.79Å; M141-D185 HydrophobicContact CE-CB 3.57Å; M141-F189 HydrophobicContact CE-CB 4.44Å; M141-F189 HydrophobicContact SD-CB 3.92Å; M141-F189 HydrophobicContact SD-CD2 4.24Å; M141-F189 HydrophobicContact SD-CG 4.04Å |
| 142 | K | 97.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.6 | 174.9 | -168.3 | -175.4 | 61.8 | 166.9 | 0 | 109 | L135 M144 S172 | L135-K142 HydrophobicContact CD1-CD 3.92Å; L135-K142 HydrophobicContact CD1-CG 3.37Å; K142-M144 HydrophobicContact CD-CG 4.44Å; K142-M144 HydrophobicContact CD-SD 4.24Å; K142-M144 HydrophobicContact CG-CG 4.37Å; K142-S172 WeakPolarHBondContact CE-OG 3.11Å; K142-S172 PolarHBondContact N-O 3.24Å; K142-S172 PolarHBondContact O-N 3.14Å; K142-S172 PolarHBondContact O-OG 3.22Å |
| 143 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.2 | 176.5 | -54.7 | 76.7 | 0 | 0 | 0 | 108.3 | L39 L135 F136 M141 V145 V169 E170 L171 F189 | L39-I143 HydrophobicContact CD1-CG2 4.11Å; L39-I143 HydrophobicContact CD2-CG1 4.47Å; L39-I143 HydrophobicContact CD2-CG2 3.97Å; L135-I143 WeakPolarHBondContact CA-O 3.42Å; F136-I143 HydrophobicContact CB-CB 4.22Å; F136-I143 PolarHBondContact N-O 3.46Å; F136-I143 PolarHBondContact O-N 3.49Å; M141-I143 HydrophobicContact CB-CD1 4.12Å; I143-V145 HydrophobicContact CG2-CG2 4.43Å; I143-V169 HydrophobicContact CG2-CG1 4.39Å; I143-E170 CarbonylContact C-O 3.59Å; I143-E170 VanDerWaalsContact CA-O 3.29Å; I143-E170 WeakPolarHBondContact CA-O 3.18Å; I143-L171 HydrophobicContact CD1-CD1 3.93Å; I143-L171 HydrophobicContact CG1-CD1 3.72Å; I143-F189 HydrophobicContact CD1-CE1 4.04Å; I143-F189 HydrophobicContact CD1-CZ 3.95Å; I143-F189 HydrophobicContact CG1-CE1 3.73Å; I143-F189 HydrophobicContact CG1-CZ 4.04Å |
| 144 | M | 98.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.8 | 175.2 | -58.6 | -171.2 | -49.1 | 0 | 0 | 109.2 | H134 L135 K142 Y146 V169 E170 | H134-M144 WeakPolarHBondContact O-CA 3.43Å; L135-M144 HydrophobicContact CD1-CG 3.91Å; K142-M144 HydrophobicContact CD-CG 4.44Å; K142-M144 HydrophobicContact CD-SD 4.24Å; K142-M144 HydrophobicContact CG-CG 4.37Å; M144-Y146 HydrophobicContact CB-CD1 3.85Å; M144-Y146 HydrophobicContact CB-CE1 4.06Å; M144-Y146 HydrophobicContact CE-CE1 4.12Å; M144-V169 CarbonylContact O-C 3.58Å; M144-V169 WeakPolarHBondContact O-CA 3.22Å; M144-E170 HydrophobicContact CE-CB 4.47Å; M144-E170 WeakPolarHBondContact CE-OE2 3.49Å; M144-E170 PolarHBondContact N-O 2.91Å; M144-E170 PolarHBondContact O-N 2.8Å |
| 145 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 105.9 | 173.3 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | L32 L35 I36 L39 G133 H134 I143 Y167 L168 V169 | L32-V145 HydrophobicContact CD1-CG1 3.6Å; L35-V145 HydrophobicContact CD2-CG1 4.17Å; L35-V145 HydrophobicContact CD2-CG2 4.06Å; I36-V145 HydrophobicContact CD1-CB 4.45Å; L39-V145 HydrophobicContact CD1-CG2 3.55Å; G133-V145 CarbonylContact C-O 3.43Å; G133-V145 WeakPolarHBondContact CA-O 3.47Å; H134-V145 PolarHBondContact N-O 3.01Å; H134-V145 PolarHBondContact O-N 2.91Å; I143-V145 HydrophobicContact CG2-CG2 4.43Å; V145-Y167 HydrophobicContact CG1-CD1 4.25Å; V145-Y167 HydrophobicContact CG1-CG 4.4Å; V145-L168 WeakPolarHBondContact CA-O 3.41Å; V145-V169 HydrophobicContact CG1-CG2 4.36Å; V145-V169 HydrophobicContact CG2-CG1 4.17Å; V145-V169 HydrophobicContact CG2-CG2 4.34Å |
| 146 | Y | 98.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 6% | 0.059 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.1 | -170.5 | 66.1 | -83.8 | 0 | 0 | 0 | 113.4 | F51 A131 K132 M144 I148 Y167 L168 E170 | F51-Y146 HydrophobicContact CZ-CD1 4.1Å; F51-Y146 AromaticContact CZ-CG 3.88Å; F51-Y146 HydrophobicContact CZ-CG 3.88Å; A131-Y146 HydrophobicContact CB-CD2 3.9Å; A131-Y146 HydrophobicContact CB-CE2 4.22Å; K132-Y146 CarbonylContact O-C 3.57Å; K132-Y146 VanDerWaalsContact O-CA 3.32Å; K132-Y146 WeakPolarHBondContact O-CA 3.37Å; K132-Y146 WeakPolarHBondContact O-CB 3.49Å; M144-Y146 HydrophobicContact CB-CD1 3.85Å; M144-Y146 HydrophobicContact CB-CE1 4.06Å; M144-Y146 HydrophobicContact CE-CE1 4.12Å; Y146-I148 HydrophobicContact CD2-CG1 4.08Å; Y146-I148 HydrophobicContact CE2-CD1 4.18Å; Y146-I148 HydrophobicContact CE2-CG1 3.8Å; Y146-Y167 CarbonylContact O-C 3.57Å; Y146-Y167 WeakPolarHBondContact O-CA 3.33Å; Y146-L168 HydrophobicContact CE1-CB 4.43Å; Y146-L168 HydrophobicContact CE1-CD2 4.15Å; Y146-L168 HydrophobicContact CE2-CD2 4.21Å; Y146-L168 PolarHBondContact N-O 3.47Å; Y146-L168 PolarHBondContact O-N 2.82Å; Y146-L168 WeakPolarHBondContact OH-CD2 3.36Å; Y146-E170 HydrophobicContact CE1-CG 3.82Å; Y146-E170 WeakPolarHBondContact CE1-OE2 3.4Å; Y146-E170 PolarHBondContact OH-OE2 2.98Å |
| 147 | K | 98.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.065 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 140 | 174.2 | -178.4 | 167.3 | -73.7 | -162.8 | 0 | 109.3 | D29 K132 F149 A162 Y167 | D29-K147 VanDerWaalsContact OD1-CE 3.29Å; D29-K147 WeakPolarHBondContact OD1-CE 3.49Å; D29-K147 IonicContact OD1-NZ 3.09Å; D29-K147 PolarHBondContact OD1-NZ 3.4Å; D29-K147 IonicContact OD2-NZ 3.8Å; D29-K147 PolarHBondContact OD2-NZ 2.8Å; K132-K147 PolarHBondContact N-O 3.08Å; K132-K147 PolarHBondContact O-N 2.87Å; K147-F149 HydrophobicContact CB-CE2 3.81Å; K147-F149 HydrophobicContact CB-CZ 4.31Å; K147-F149 HydrophobicContact CD-CE1 4.43Å; K147-F149 HydrophobicContact CD-CE2 4.12Å; K147-F149 HydrophobicContact CD-CZ 3.8Å; K147-F149 HydrophobicContact CG-CD2 4.31Å; K147-F149 HydrophobicContact CG-CE2 3.71Å; K147-F149 HydrophobicContact CG-CZ 3.93Å; K147-A162 HydrophobicContact CD-CB 4Å; K147-Y167 HydrophobicContact CB-CD1 3.92Å; K147-Y167 HydrophobicContact CB-CE1 3.77Å; K147-Y167 HydrophobicContact CB-CG 4.41Å |
| 148 | I | 97.8 | Very high | 95.1 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.2 | 176.8 | -61.4 | 174.1 | 0 | 0 | 0 | 108.2 | F129 Y146 L163 | F129-I148 HydrophobicContact CB-CG2 4.03Å; F129-I148 HydrophobicContact CD2-CG2 3.81Å; F129-I148 HydrophobicContact CG-CG2 4.05Å; Y146-I148 HydrophobicContact CD2-CG1 4.08Å; Y146-I148 HydrophobicContact CE2-CD1 4.18Å; Y146-I148 HydrophobicContact CE2-CG1 3.8Å; I148-L163 HydrophobicContact CB-CB 4.41Å; I148-L163 HydrophobicContact CB-CD2 4.36Å; I148-L163 HydrophobicContact CG2-CB 4.32Å; I148-L163 HydrophobicContact CG2-CD2 3.93Å; I148-L163 WeakPolarHBondContact O-CB 3.34Å; I148-L163 PolarHBondContact O-N 3.25Å |
| 149 | F | 97.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.3 | 175.7 | -63.5 | -101.4 | 0 | 0 | 0 | 108.8 | F129 V130 K132 K147 E161 A162 | F129-F149 WeakPolarHBondContact CB-O 3.42Å; V130-F149 HydrophobicContact CB-CB 4.24Å; V130-F149 PolarHBondContact N-O 2.84Å; V130-F149 PolarHBondContact O-N 2.99Å; K132-F149 HydrophobicContact CB-CD2 4.42Å; K132-F149 HydrophobicContact CB-CE2 3.94Å; K147-F149 HydrophobicContact CB-CE2 3.81Å; K147-F149 HydrophobicContact CB-CZ 4.31Å; K147-F149 HydrophobicContact CD-CE1 4.43Å; K147-F149 HydrophobicContact CD-CE2 4.12Å; K147-F149 HydrophobicContact CD-CZ 3.8Å; K147-F149 HydrophobicContact CG-CD2 4.31Å; K147-F149 HydrophobicContact CG-CE2 3.71Å; K147-F149 HydrophobicContact CG-CZ 3.93Å; F149-E161 CarbonylContact C-O 3.5Å; F149-E161 WeakPolarHBondContact CA-O 3.37Å; F149-A162 HydrophobicContact CD1-CB 4.16Å; F149-A162 HydrophobicContact CE1-CB 3.97Å |
| 150 | R | 96.1 | Very high | 95.2 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 139.2 | 174.5 | 68.3 | 176.3 | -168.8 | -168.2 | 0.4 | 109.4 | L152 T160 E161 L163 | R150-L152 HydrophobicContact CG-CD2 4Å; R150-T160 VanDerWaalsContact O-CA 3.24Å; R150-T160 WeakPolarHBondContact O-CA 3.27Å; R150-T160 WeakPolarHBondContact O-CB 3.31Å; R150-E161 HydrophobicContact CG-CG 3.61Å; R150-E161 IonicContact CZ-OE1 3.24Å; R150-E161 PolarHBondContact N-O 3.44Å; R150-E161 IonicContact NE-OE1 3.01Å; R150-E161 PolarHBondContact NE-OE1 3.33Å; R150-E161 VanDerWaalsContact NH2-CD 3.26Å; R150-E161 IonicContact NH2-OE1 2.76Å; R150-E161 PolarHBondContact NH2-OE1 3.26Å; R150-E161 IonicContact NH2-OE2 3.77Å; R150-E161 PolarHBondContact O-N 2.78Å; R150-L163 HydrophobicContact CB-CD1 4.4Å |
| 151 | I | 96.5 | Very high | 95.4 | Very high | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.6 | 173 | -71 | 166.6 | 0 | 0 | 0 | 108.4 | H54 E128 V130 V153 T157 T160 | H54-I151 VanDerWaalsContact NE2-CD1 3.3Å; H54-I151 WeakPolarHBondContact NE2-CD1 3Å; E128-I151 HydrophobicContact CB-CD1 4.11Å; E128-I151 HydrophobicContact CG-CB 4.4Å; E128-I151 HydrophobicContact CG-CD1 3.69Å; V130-I151 HydrophobicContact CG2-CD1 4.21Å; V130-I151 HydrophobicContact CG2-CG1 4.28Å; I151-V153 WeakPolarHBondContact CG2-O 3.35Å; I151-T157 HydrophobicContact CD1-CG2 4.15Å; I151-T160 HydrophobicContact CG1-CG2 3.87Å |
| 152 | L | 93.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 52 Ų | 52 | 44% | 0.44 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -87.4 | -29.6 | -175.5 | -51.8 | -177.4 | 0 | 0 | 0 | 112.8 | R150 S159 E161 | R150-L152 HydrophobicContact CG-CD2 4Å; L152-S159 WeakPolarHBondContact CG-O 3.21Å; L152-S159 PolarHBondContact N-O 2.86Å; L152-E161 HydrophobicContact CD2-CB 4.49Å; L152-E161 HydrophobicContact CD2-CG 3.9Å; L152-E161 WeakPolarHBondContact CD2-OE1 3.47Å |
| 153 | V | 93.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -125.9 | 115.8 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | I151 G155 N156 | I151-V153 WeakPolarHBondContact CG2-O 3.35Å; V153-G155 PolarHBondContact O-N 2.73Å; V153-N156 HydrophobicContact CB-CB 3.99Å; V153-N156 HydrophobicContact CG1-CB 4.2Å; V153-N156 VanDerWaalsContact O-CB 3.31Å; V153-N156 WeakPolarHBondContact O-CB 3.5Å; V153-N156 PolarHBondContact O-N 2.98Å |
| 154 | P | 89.4 | Confident | 95.2 | Very high | 109 Ų | 109 | 57.3 Ų | 57.3 | 71% | 0.708 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 135 | -176.8 | -29.6 | 35.3 | 0 | 0 | 0 | 113 | E128 N156 | E128-P154 VanDerWaalsContact OE1-CA 3.23Å; E128-P154 WeakPolarHBondContact OE1-CA 3.3Å; P154-N156 PolarHBondContact O-N 2.88Å |
| 155 | G | 87.6 | Confident | 95.1 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 58% | 0.577 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -9.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | E128 V153 T157 | E128-G155 PolarHBondContact OE1-N 3.48Å; V153-G155 PolarHBondContact O-N 2.73Å; G155-T157 PolarHBondContact O-N 2.81Å |
| 156 | N | 92.7 | Very high | 95 | Very high | 61 Ų | 61 | 64 Ų | 64 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | trans | -98.7 | 89.2 | 179.9 | -173.6 | -8.5 | 0 | 0 | 0 | 111.2 | V153 P154 D158 S159 | V153-N156 HydrophobicContact CB-CB 3.99Å; V153-N156 HydrophobicContact CG1-CB 4.2Å; V153-N156 VanDerWaalsContact O-CB 3.31Å; V153-N156 WeakPolarHBondContact O-CB 3.5Å; V153-N156 PolarHBondContact O-N 2.98Å; P154-N156 PolarHBondContact O-N 2.88Å; N156-D158 PolarHBondContact O-N 3.08Å; N156-D158 WeakPolarHBondContact OD1-CB 3.43Å; N156-D158 PolarHBondContact OD1-N 2.66Å; N156-D158 VanDerWaalsContact OD1-N 3.13Å; N156-S159 PolarHBondContact O-N 3.01Å; N156-S159 PolarHBondContact OD1-N 2.74Å | ||
| 157 | T | 92.7 | Very high | 95 | Very high | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.129 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -9.4 | 179.9 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | H54 M76 V130 I151 G155 T160 | H54-T157 HydrophobicContact CB-CG2 4.37Å; M76-T157 HydrophobicContact CE-CG2 4.27Å; M76-T157 VanDerWaalsContact CE-OG1 3.27Å; M76-T157 WeakPolarHBondContact CE-OG1 3.46Å; M76-T157 HydrophobicContact SD-CG2 4.28Å; V130-T157 HydrophobicContact CG2-CG2 4.28Å; I151-T157 HydrophobicContact CD1-CG2 4.15Å; G155-T157 PolarHBondContact O-N 2.81Å; T157-T160 VanDerWaalsContact O-CG2 3.27Å; T157-T160 WeakPolarHBondContact O-CG2 3.36Å |
| 158 | D | 92.6 | Very high | 95 | Very high | 141 Ų | 141 | 66.9 Ų | 66.9 | 75% | 0.754 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -26.3 | 174.7 | -60 | -36.4 | 0 | 0 | 0 | 111.5 | N156 T160 | N156-D158 PolarHBondContact O-N 3.08Å; N156-D158 WeakPolarHBondContact OD1-CB 3.43Å; N156-D158 PolarHBondContact OD1-N 2.66Å; N156-D158 VanDerWaalsContact OD1-N 3.13Å; D158-T160 PolarHBondContact O-N 3Å |
| 159 | S | 95 | Very high | 95 | Very high | 34 Ų | 34 | 64.6 Ų | 64.6 | 24% | 0.238 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -93.1 | 79.3 | 179.6 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | L152 N156 | L152-S159 WeakPolarHBondContact CG-O 3.21Å; L152-S159 PolarHBondContact N-O 2.86Å; N156-S159 PolarHBondContact O-N 3.01Å; N156-S159 PolarHBondContact OD1-N 2.74Å |
| 160 | T | 96.8 | Very high | 95 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 157 | -176.3 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | V130 R150 I151 T157 D158 | V130-T160 HydrophobicContact CB-CG2 4.44Å; V130-T160 HydrophobicContact CG2-CG2 4.01Å; R150-T160 VanDerWaalsContact O-CA 3.24Å; R150-T160 WeakPolarHBondContact O-CA 3.27Å; R150-T160 WeakPolarHBondContact O-CB 3.31Å; I151-T160 HydrophobicContact CG1-CG2 3.87Å; T157-T160 VanDerWaalsContact O-CG2 3.27Å; T157-T160 WeakPolarHBondContact O-CG2 3.36Å; D158-T160 PolarHBondContact O-N 3Å |
| 161 | E | 96.6 | Very high | 95.1 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 150.7 | 168.6 | 79.3 | -170.9 | 117.9 | 0 | 0 | 111.9 | F149 R150 L152 L163 | F149-E161 CarbonylContact C-O 3.5Å; F149-E161 WeakPolarHBondContact CA-O 3.37Å; R150-E161 HydrophobicContact CG-CG 3.61Å; R150-E161 IonicContact CZ-OE1 3.24Å; R150-E161 PolarHBondContact N-O 3.44Å; R150-E161 IonicContact NE-OE1 3.01Å; R150-E161 PolarHBondContact NE-OE1 3.33Å; R150-E161 VanDerWaalsContact NH2-CD 3.26Å; R150-E161 IonicContact NH2-OE1 2.76Å; R150-E161 PolarHBondContact NH2-OE1 3.26Å; R150-E161 IonicContact NH2-OE2 3.77Å; R150-E161 PolarHBondContact O-N 2.78Å; L152-E161 HydrophobicContact CD2-CB 4.49Å; L152-E161 HydrophobicContact CD2-CG 3.9Å; L152-E161 WeakPolarHBondContact CD2-OE1 3.47Å; E161-L163 PolarHBondContact O-N 3.14Å |
| 162 | A | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 56.3 Ų | 56.3 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 128.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K147 F149 S164 | K147-A162 HydrophobicContact CD-CB 4Å; F149-A162 HydrophobicContact CD1-CB 4.16Å; F149-A162 HydrophobicContact CE1-CB 3.97Å; A162-S164 VanDerWaalsContact C-N 3.3Å; A162-S164 PolarHBondContact O-N 2.73Å |
| 163 | L | 95.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 54% | 0.539 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -71.2 | -27.7 | -179.8 | -172 | 66.1 | 0 | 0 | 0 | 112.2 | I148 R150 E161 | I148-L163 HydrophobicContact CB-CB 4.41Å; I148-L163 HydrophobicContact CB-CD2 4.36Å; I148-L163 HydrophobicContact CG2-CB 4.32Å; I148-L163 HydrophobicContact CG2-CD2 3.93Å; I148-L163 WeakPolarHBondContact O-CB 3.34Å; I148-L163 PolarHBondContact O-N 3.25Å; R150-L163 HydrophobicContact CB-CD1 4.4Å; E161-L163 PolarHBondContact O-N 3.14Å |
| 164 | S | 95.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 52 Ų | 52 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -155.3 | 171.2 | -179.3 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | A162 S166 | A162-S164 VanDerWaalsContact C-N 3.3Å; A162-S164 PolarHBondContact O-N 2.73Å; S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-O 2.82Å; S164-S166 PolarHBondContact OG-OG 2.83Å | ||
| 165 | L | 95.9 | Very high | 95.5 | Very high | 138 Ų | 138 | 47.1 Ų | 47.1 | 72% | 0.723 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -88.9 | 28 | 175 | -57.7 | 179 | 0 | 0 | 0 | 112.6 | D29 | D29-L165 VanDerWaalsContact CG-C 3.48Å; D29-L165 VanDerWaalsContact CG-O 3.26Å; D29-L165 PolarHBondContact N-O 3.15Å |
| 166 | S | 96.9 | Very high | 95.6 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156 | -177.4 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | V27 D29 S164 | V27-S166 CarbonylContact O-C 3.48Å; V27-S166 WeakPolarHBondContact O-CA 3.35Å; V27-S166 VanDerWaalsContact O-CB 3.3Å; V27-S166 WeakPolarHBondContact O-CB 3.07Å; D29-S166 PolarHBondContact OD1-N 2.84Å; S164-S166 PolarHBondContact O-N 2.85Å; S164-S166 PolarHBondContact OG-O 2.82Å; S164-S166 PolarHBondContact OG-OG 2.83Å |
| 167 | Y | 98.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135.7 | 165.4 | -71.6 | -107.7 | 0 | 0 | 0 | 109.1 | S26 V27 D29 L32 V145 Y146 K147 | S26-Y167 CarbonylContact C-O 3.49Å; S26-Y167 WeakPolarHBondContact CA-O 3.33Å; S26-Y167 WeakPolarHBondContact CB-O 3.37Å; V27-Y167 PolarHBondContact N-O 2.86Å; V27-Y167 PolarHBondContact O-N 3.18Å; D29-Y167 WeakPolarHBondContact OD1-CD2 3.42Å; D29-Y167 VanDerWaalsContact OD1-CE2 3.31Å; D29-Y167 WeakPolarHBondContact OD1-CE2 3.3Å; L32-Y167 HydrophobicContact CB-CD2 4.43Å; L32-Y167 HydrophobicContact CB-CE2 4.42Å; L32-Y167 HydrophobicContact CD1-CD1 3.92Å; L32-Y167 HydrophobicContact CD1-CD2 4.06Å; L32-Y167 HydrophobicContact CD1-CE1 4.17Å; L32-Y167 HydrophobicContact CD1-CE2 4.32Å; L32-Y167 HydrophobicContact CD1-CG 3.87Å; L32-Y167 HydrophobicContact CD2-CD1 4.47Å; L32-Y167 HydrophobicContact CD2-CD2 4.26Å; L32-Y167 HydrophobicContact CD2-CE1 3.91Å; L32-Y167 HydrophobicContact CD2-CE2 3.69Å; L32-Y167 VanDerWaalsContact CD2-CZ 3.49Å; L32-Y167 HydrophobicContact CG-CD2 4.48Å; L32-Y167 HydrophobicContact CG-CE2 4.36Å; V145-Y167 HydrophobicContact CG1-CD1 4.25Å; V145-Y167 HydrophobicContact CG1-CG 4.4Å; Y146-Y167 CarbonylContact O-C 3.57Å; Y146-Y167 WeakPolarHBondContact O-CA 3.33Å; K147-Y167 HydrophobicContact CB-CD1 3.92Å; K147-Y167 HydrophobicContact CB-CE1 3.77Å; K147-Y167 HydrophobicContact CB-CG 4.41Å |
| 168 | L | 97.7 | Very high | 94.8 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 138.1 | 166 | -167.5 | 71.4 | 0 | 0 | 0 | 108.7 | G25 V145 Y146 E170 | G25-L168 WeakPolarHBondContact O-CD1 3.31Å; V145-L168 WeakPolarHBondContact CA-O 3.41Å; Y146-L168 HydrophobicContact CE1-CB 4.43Å; Y146-L168 HydrophobicContact CE1-CD2 4.15Å; Y146-L168 HydrophobicContact CE2-CD2 4.21Å; Y146-L168 PolarHBondContact N-O 3.47Å; Y146-L168 PolarHBondContact O-N 2.82Å; Y146-L168 WeakPolarHBondContact OH-CD2 3.36Å; L168-E170 HydrophobicContact CD2-CG 3.92Å; L168-E170 HydrophobicContact CG-CG 4.15Å |
| 169 | V | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.8 | 175.4 | -173.2 | 0 | 0 | 0 | 0 | 108 | Q24 G25 V27 L35 I143 M144 V145 V197 L199 | Q24-V169 CarbonylContact C-O 3.49Å; Q24-V169 WeakPolarHBondContact CA-O 3.29Å; G25-V169 PolarHBondContact N-O 2.75Å; G25-V169 PolarHBondContact O-N 2.85Å; V27-V169 HydrophobicContact CB-CG2 4.45Å; V27-V169 HydrophobicContact CG1-CG2 4.03Å; L35-V169 HydrophobicContact CD2-CG2 3.62Å; I143-V169 HydrophobicContact CG2-CG1 4.39Å; M144-V169 CarbonylContact O-C 3.58Å; M144-V169 WeakPolarHBondContact O-CA 3.22Å; V145-V169 HydrophobicContact CG1-CG2 4.36Å; V145-V169 HydrophobicContact CG2-CG1 4.17Å; V145-V169 HydrophobicContact CG2-CG2 4.34Å; V169-V197 HydrophobicContact CB-CG2 4.11Å; V169-V197 HydrophobicContact CG2-CG2 4.05Å; V169-L199 HydrophobicContact CB-CD2 3.92Å; V169-L199 HydrophobicContact CG1-CD2 3.75Å |
| 170 | E | 97.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 125.3 | 177.9 | -54.6 | -166.2 | 109.6 | 0 | 0 | 109.7 | L22 Q24 I143 M144 Y146 L168 | L22-E170 HydrophobicContact CD1-CB 4.17Å; Q24-E170 HydrophobicContact CG-CG 4.04Å; Q24-E170 PolarHBondContact NE2-OE1 3.41Å; I143-E170 CarbonylContact C-O 3.59Å; I143-E170 VanDerWaalsContact CA-O 3.29Å; I143-E170 WeakPolarHBondContact CA-O 3.18Å; M144-E170 HydrophobicContact CE-CB 4.47Å; M144-E170 WeakPolarHBondContact CE-OE2 3.49Å; M144-E170 PolarHBondContact N-O 2.91Å; M144-E170 PolarHBondContact O-N 2.8Å; Y146-E170 HydrophobicContact CE1-CG 3.82Å; Y146-E170 WeakPolarHBondContact CE1-OE2 3.4Å; Y146-E170 PolarHBondContact OH-OE2 2.98Å; L168-E170 HydrophobicContact CD2-CG 3.92Å; L168-E170 HydrophobicContact CG-CG 4.15Å |
| 171 | L | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.7 | 166 | 170 | 62.8 | 0 | 0 | 0 | 107.5 | L22 L23 M141 I143 M186 F189 L199 | L22-L171 WeakPolarHBondContact CA-O 3.23Å; L23-L171 HydrophobicContact CB-CB 4.39Å; L23-L171 HydrophobicContact CD1-CD2 4.25Å; L23-L171 PolarHBondContact N-O 2.82Å; L23-L171 PolarHBondContact O-N 2.84Å; M141-L171 HydrophobicContact CB-CD1 3.88Å; M141-L171 HydrophobicContact CG-CD1 4.24Å; M141-L171 HydrophobicContact SD-CD1 4.17Å; I143-L171 HydrophobicContact CD1-CD1 3.93Å; I143-L171 HydrophobicContact CG1-CD1 3.72Å; L171-M186 HydrophobicContact CD2-CB 4.03Å; L171-M186 HydrophobicContact CD2-CE 4.35Å; L171-M186 HydrophobicContact CD2-CG 4.27Å; L171-M186 WeakPolarHBondContact CD2-O 3.48Å; L171-M186 HydrophobicContact CG-CE 3.81Å; L171-M186 HydrophobicContact CG-CG 4.38Å; L171-M186 WeakPolarHBondContact O-CE 3.15Å; L171-F189 HydrophobicContact CD1-CD1 4.32Å; L171-F189 HydrophobicContact CD2-CB 4.4Å; L171-F189 HydrophobicContact CD2-CD1 3.86Å; L171-L199 HydrophobicContact CB-CD1 3.79Å; L171-L199 HydrophobicContact CD2-CD1 4.25Å |
| 172 | S | 96.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.1 | -177.4 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | Y21 K142 | Y21-S172 CarbonylContact O-C 3.59Å; Y21-S172 WeakPolarHBondContact O-CA 3.47Å; K142-S172 WeakPolarHBondContact CE-OG 3.11Å; K142-S172 PolarHBondContact N-O 3.24Å; K142-S172 PolarHBondContact O-N 3.14Å; K142-S172 PolarHBondContact O-OG 3.22Å |
| 173 | V | 96.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.8 | 170.7 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | E20 Y21 I140 M141 A175 V182 M186 | E20-V173 WeakPolarHBondContact CA-O 3.48Å; Y21-V173 PolarHBondContact N-O 2.79Å; Y21-V173 PolarHBondContact O-N 3.45Å; I140-V173 HydrophobicContact CD1-CG1 3.63Å; I140-V173 HydrophobicContact CG1-CG1 3.95Å; I140-V173 HydrophobicContact CG1-CG2 4.46Å; M141-V173 HydrophobicContact CB-CG2 4.32Å; M141-V173 HydrophobicContact CG-CG2 3.79Å; V173-A175 HydrophobicContact CG1-CB 4.22Å; V173-V182 HydrophobicContact CB-CG1 3.7Å; V173-V182 HydrophobicContact CG1-CG1 3.62Å; V173-V182 HydrophobicContact CG2-CG1 4.04Å; V173-M186 HydrophobicContact CB-SD 4.1Å; V173-M186 HydrophobicContact CG2-CG 3.94Å; V173-M186 HydrophobicContact CG2-SD 3.84Å |
| 174 | V | 94.1 | Very high | 92.6 | Very high | 67 Ų | 67 | 45.5 Ų | 45.5 | 41% | 0.406 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 116.2 | 171.1 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | M18 M19 | M18-V174 HydrophobicContact CB-CG1 3.82Å; M18-V174 HydrophobicContact CE-CG1 3.8Å; M18-V174 HydrophobicContact CG-CG1 4.41Å; M19-V174 WeakPolarHBondContact O-CA 3.36Å |
| 175 | A | 92.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 159.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | M19 Y21 V173 Q179 V182 | M19-A175 PolarHBondContact N-O 3.26Å; M19-A175 PolarHBondContact O-N 2.9Å; Y21-A175 HydrophobicContact CE2-CB 4.22Å; V173-A175 HydrophobicContact CG1-CB 4.22Å; A175-Q179 HydrophobicContact CB-CG 4.45Å; A175-V182 HydrophobicContact CB-CG2 4.26Å |
| 176 | P | 90.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 153 | 170.6 | -23.3 | 34.4 | 0 | 0 | 0 | 111.8 | M18 Q179 | M18-P176 HydrophobicContact SD-CG 4.1Å; P176-Q179 VanDerWaalsContact O-CG 3.22Å; P176-Q179 WeakPolarHBondContact O-CG 3.43Å |
| 177 | A | 85.9 | Confident | 92.5 | Very high | 59 Ų | 59 | 42.8 Ų | 42.8 | 49% | 0.488 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 148.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N17 M19 | N17-A177 PolarHBondContact O-N 3.46Å; M19-A177 HydrophobicContact CG-CB 3.77Å; M19-A177 HydrophobicContact SD-CB 4.44Å |
| 178 | G | 82 | Confident | 92.3 | Very high | 61 Ų | 61 | 45 Ų | 45 | 63% | 0.629 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 14.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D180 | G178-D180 PolarHBondContact O-N 2.96Š|
| 179 | Q | 83.8 | Confident | 92.3 | Very high | 83 Ų | 83 | 43.1 Ų | 43.1 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | trans | -91.2 | 76.2 | -179.8 | -65.4 | -70.5 | -16.4 | 0 | 0 | 111.3 | Y21 A175 P176 V181 V182 | Y21-Q179 PolarHBondContact OH-N 3.24Å; Y21-Q179 PolarHBondContact OH-O 3.47Å; Y21-Q179 VanDerWaalsContact OH-O 3.1Å; A175-Q179 HydrophobicContact CB-CG 4.45Å; P176-Q179 VanDerWaalsContact O-CG 3.22Å; P176-Q179 WeakPolarHBondContact O-CG 3.43Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.76Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 WeakPolarHBondContact O-CB 3.4Å; Q179-V182 PolarHBondContact O-N 3Å | ||
| 180 | D | 79.8 | Confident | 92.3 | Very high | 95 Ų | 95 | 43.4 Ų | 43.4 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -33.3 | -175.3 | -67.9 | -28.8 | 0 | 0 | 0 | 113.2 | G178 V182 S183 | G178-D180 PolarHBondContact O-N 2.96Å; D180-V182 PolarHBondContact O-N 2.98Å; D180-V182 VanDerWaalsContact O-N 3.1Å; D180-S183 WeakPolarHBondContact O-CB 3.49Å; D180-S183 PolarHBondContact O-N 3.35Å |
| 181 | V | 89.4 | Confident | 92.2 | Very high | 87 Ų | 87 | 46.7 Ų | 46.7 | 53% | 0.527 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.1 | -30.3 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | Q179 S183 D184 D185 | Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.76Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.31Å; V181-D184 PolarHBondContact O-N 2.85Å; V181-D185 PolarHBondContact O-N 3.25Å |
| 182 | V | 91.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Y21 V173 A175 Q179 D180 D184 M186 | Y21-V182 HydrophobicContact CD1-CB 4.24Å; Y21-V182 HydrophobicContact CD1-CG1 3.9Å; Y21-V182 HydrophobicContact CD2-CG1 3.9Å; Y21-V182 HydrophobicContact CE1-CB 4.19Å; Y21-V182 HydrophobicContact CE1-CG1 4.32Å; Y21-V182 HydrophobicContact CE2-CG1 4.34Å; Y21-V182 HydrophobicContact CG-CB 4.43Å; Y21-V182 HydrophobicContact CG-CG1 3.69Å; V173-V182 HydrophobicContact CB-CG1 3.7Å; V173-V182 HydrophobicContact CG1-CG1 3.62Å; V173-V182 HydrophobicContact CG2-CG1 4.04Å; A175-V182 HydrophobicContact CB-CG2 4.26Å; Q179-V182 HydrophobicContact CB-CG2 3.8Å; Q179-V182 WeakPolarHBondContact O-CB 3.4Å; Q179-V182 PolarHBondContact O-N 3Å; D180-V182 PolarHBondContact O-N 2.98Å; D180-V182 VanDerWaalsContact O-N 3.1Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 2.99Å; V182-M186 HydrophobicContact CG1-CG 4.37Å; V182-M186 HydrophobicContact CG1-SD 3.9Å; V182-M186 WeakPolarHBondContact O-CB 3.23Å; V182-M186 WeakPolarHBondContact O-CG 3.28Å; V182-M186 PolarHBondContact O-N 3.43Å |
| 183 | S | 90.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -34.7 | -179.4 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | H99 A100 D180 V181 K187 | H99-S183 WeakPolarHBondContact CB-OG 3.32Å; H99-S183 PolarHBondContact N-OG 3.41Å; H99-S183 VanDerWaalsContact N-OG 3.1Å; A100-S183 PolarHBondContact N-OG 2.81Å; A100-S183 VanDerWaalsContact N-OG 3.13Å; D180-S183 WeakPolarHBondContact O-CB 3.49Å; D180-S183 PolarHBondContact O-N 3.35Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 3.31Å; S183-K187 WeakPolarHBondContact O-CB 3.4Å; S183-K187 PolarHBondContact O-N 3.3Å; S183-K187 VanDerWaalsContact O-N 3.12Å |
| 184 | D | 92.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 54.4 Ų | 54.4 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.3 | -44.4 | 178 | -72.1 | -27.9 | 0 | 0 | 0 | 111.3 | H99 V181 V182 M186 K187 N188 | H99-D184 IonicContact CD2-OD1 3.44Å; H99-D184 PolarHBondContact CD2-OD1 3.42Å; H99-D184 IonicContact NE2-OD1 3.32Å; V181-D184 PolarHBondContact O-N 2.85Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 2.99Å; D184-M186 VanDerWaalsContact C-N 3.35Å; D184-M186 PolarHBondContact O-N 2.89Å; D184-K187 PolarHBondContact O-N 2.91Å; D184-N188 WeakPolarHBondContact O-CB 3.45Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.45Å; D184-N188 PolarHBondContact O-ND2 3.33Å |
| 185 | D | 94.6 | Very high | 92.2 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.1 | -74.3 | -18.8 | 0 | 0 | 0 | 111.7 | M141 V181 K187 N188 F189 | M141-D185 HydrophobicContact CE-CB 3.57Å; V181-D185 PolarHBondContact O-N 3.25Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.33Å; D185-N188 PolarHBondContact O-N 3.29Å; D185-F189 PolarHBondContact O-N 3.02Å |
| 186 | M | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.1 | -75.9 | 176.6 | 75.3 | 0 | 0 | 112 | Y21 L23 A100 L171 V173 V182 D184 F189 A190 | Y21-M186 WeakPolarHBondContact CB-SD 3.31Å; Y21-M186 HydrophobicContact CG-SD 4.4Å; Y21-M186 WeakPolarHBondContact O-CE 3.49Å; L23-M186 HydrophobicContact CD1-CB 4.16Å; L23-M186 HydrophobicContact CG-CE 4.13Å; A100-M186 HydrophobicContact CB-CE 4.42Å; A100-M186 HydrophobicContact CB-SD 4.4Å; L171-M186 HydrophobicContact CD2-CB 4.03Å; L171-M186 HydrophobicContact CD2-CE 4.35Å; L171-M186 HydrophobicContact CD2-CG 4.27Å; L171-M186 WeakPolarHBondContact CD2-O 3.48Å; L171-M186 HydrophobicContact CG-CE 3.81Å; L171-M186 HydrophobicContact CG-CG 4.38Å; L171-M186 WeakPolarHBondContact O-CE 3.15Å; V173-M186 HydrophobicContact CB-SD 4.1Å; V173-M186 HydrophobicContact CG2-CG 3.94Å; V173-M186 HydrophobicContact CG2-SD 3.84Å; V182-M186 HydrophobicContact CG1-CG 4.37Å; V182-M186 HydrophobicContact CG1-SD 3.9Å; V182-M186 WeakPolarHBondContact O-CB 3.23Å; V182-M186 WeakPolarHBondContact O-CG 3.28Å; V182-M186 PolarHBondContact O-N 3.43Å; D184-M186 VanDerWaalsContact C-N 3.35Å; D184-M186 PolarHBondContact O-N 2.89Å; M186-F189 PolarHBondContact O-N 2.89Å; M186-A190 WeakPolarHBondContact O-CB 3.29Å; M186-A190 PolarHBondContact O-N 3.16Å |
| 187 | K | 94.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 174.9 | 174.9 | 178.9 | 171.3 | -161.8 | 0 | 111.3 | H99 S183 D184 D185 F189 A190 E191 | H99-K187 HydrophobicContact CB-CB 4.06Å; H99-K187 HydrophobicContact CB-CD 4.03Å; H99-K187 WeakPolarHBondContact CD2-CD 3.43Å; H99-K187 PolarHBondContact CE1-NZ 3.13Å; H99-K187 VanDerWaalsContact CG-CD 3.4Å; H99-K187 WeakPolarHBondContact NE2-CD 3.4Å; H99-K187 PolarHBondContact NE2-NZ 2.75Å; S183-K187 WeakPolarHBondContact O-CB 3.4Å; S183-K187 PolarHBondContact O-N 3.3Å; S183-K187 VanDerWaalsContact O-N 3.12Å; D184-K187 PolarHBondContact O-N 2.91Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 3.33Å; K187-F189 PolarHBondContact O-N 3.38Å; K187-A190 WeakPolarHBondContact O-CB 3.45Å; K187-A190 PolarHBondContact O-N 3.31Å; K187-A190 VanDerWaalsContact O-N 3.07Å; K187-E191 HydrophobicContact CG-CG 4.43Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.36Å |
| 188 | N | 95.9 | Very high | 93.1 | Very high | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -36 | 178.8 | -70.7 | -28.9 | 0 | 0 | 0 | 112 | D184 D185 Q192 | D184-N188 WeakPolarHBondContact O-CB 3.45Å; D184-N188 VanDerWaalsContact O-CG 3.23Å; D184-N188 PolarHBondContact O-N 3.45Å; D184-N188 PolarHBondContact O-ND2 3.33Å; D185-N188 PolarHBondContact O-N 3.29Å; N188-Q192 WeakPolarHBondContact O-CG 3.38Å; N188-Q192 PolarHBondContact O-NE2 2.87Å |
| 189 | F | 97.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -46.3 | 171.9 | -173.7 | -87.7 | 0 | 0 | 0 | 111.9 | L39 L42 K138 M141 I143 L171 D185 M186 K187 E191 Q192 L193 | L39-F189 HydrophobicContact CD2-CE1 4.18Å; L39-F189 HydrophobicContact CD2-CZ 4.03Å; L42-F189 HydrophobicContact CB-CE2 3.91Å; L42-F189 HydrophobicContact CB-CZ 4.17Å; L42-F189 HydrophobicContact CD1-CE2 4.34Å; L42-F189 HydrophobicContact CD1-CZ 4.27Å; K138-F189 HydrophobicContact CD-CD2 3.78Å; K138-F189 HydrophobicContact CD-CE2 3.55Å; M141-F189 HydrophobicContact CE-CB 4.44Å; M141-F189 HydrophobicContact SD-CB 3.92Å; M141-F189 HydrophobicContact SD-CD2 4.24Å; M141-F189 HydrophobicContact SD-CG 4.04Å; I143-F189 HydrophobicContact CD1-CE1 4.04Å; I143-F189 HydrophobicContact CD1-CZ 3.95Å; I143-F189 HydrophobicContact CG1-CE1 3.73Å; I143-F189 HydrophobicContact CG1-CZ 4.04Å; L171-F189 HydrophobicContact CD1-CD1 4.32Å; L171-F189 HydrophobicContact CD2-CB 4.4Å; L171-F189 HydrophobicContact CD2-CD1 3.86Å; D185-F189 PolarHBondContact O-N 3.02Å; M186-F189 PolarHBondContact O-N 2.89Å; K187-F189 PolarHBondContact O-N 3.38Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.29Å; F189-Q192 WeakPolarHBondContact O-CB 3.47Å; F189-Q192 PolarHBondContact O-N 3.45Å; F189-Q192 VanDerWaalsContact O-N 3.08Å; F189-L193 HydrophobicContact CD1-CD1 4.28Å; F189-L193 HydrophobicContact CE1-CD1 3.93Å; F189-L193 HydrophobicContact CE1-CG 4.31Å |
| 190 | A | 97.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L23 M186 K187 Q192 L193 L199 | L23-A190 HydrophobicContact CD1-CB 4.01Å; M186-A190 WeakPolarHBondContact O-CB 3.29Å; M186-A190 PolarHBondContact O-N 3.16Å; K187-A190 WeakPolarHBondContact O-CB 3.45Å; K187-A190 PolarHBondContact O-N 3.31Å; K187-A190 VanDerWaalsContact O-N 3.07Å; A190-Q192 PolarHBondContact O-N 3.05Å; A190-L193 WeakPolarHBondContact O-CB 3.38Å; A190-L193 PolarHBondContact O-N 3.5Å; A190-L193 VanDerWaalsContact O-N 3.08Å; A190-L199 HydrophobicContact CB-CB 3.92Å; A190-L199 HydrophobicContact CB-CD1 4.17Å; A190-L199 HydrophobicContact CB-CG 4.49Å |
| 191 | E | 97.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 57 Ų | 57 | 41% | 0.411 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -32.6 | 175.7 | -70.4 | -58 | 144.5 | 0 | 0 | 112.3 | K187 F189 L193 K194 | K187-E191 HydrophobicContact CG-CG 4.43Å; K187-E191 WeakPolarHBondContact O-CG 3.35Å; K187-E191 PolarHBondContact O-N 3.36Å; F189-E191 VanDerWaalsContact C-N 3.32Å; F189-E191 PolarHBondContact O-N 3.29Å; E191-L193 PolarHBondContact O-N 2.98Å; E191-K194 PolarHBondContact O-N 2.62Å; E191-K194 IonicContact OE1-NZ 2.71Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 WeakPolarHBondContact OE2-CD 3.42Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.31Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.09Å |
| 192 | Q | 97.1 | Very high | 94.4 | Very high | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11 | 178.3 | -66.5 | 171.3 | 65.2 | 0 | 0 | 113.6 | R38 L42 N188 F189 A190 | R38-Q192 PolarHBondContact NE-O 3.4Å; R38-Q192 PolarHBondContact NH2-O 2.95Å; L42-Q192 HydrophobicContact CD1-CB 4.02Å; L42-Q192 HydrophobicContact CD2-CB 4.19Å; L42-Q192 VanDerWaalsContact CD2-OE1 3.24Å; N188-Q192 WeakPolarHBondContact O-CG 3.38Å; N188-Q192 PolarHBondContact O-NE2 2.87Å; F189-Q192 WeakPolarHBondContact O-CB 3.47Å; F189-Q192 PolarHBondContact O-N 3.45Å; F189-Q192 VanDerWaalsContact O-N 3.08Å; A190-Q192 PolarHBondContact O-N 3.05Å |
| 193 | L | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -11.5 | 175.3 | -62.4 | 177.7 | 0 | 0 | 0 | 113 | L35 R38 L39 L42 F189 A190 E191 L196 V197 L199 | L35-L193 HydrophobicContact CD1-CD2 4.19Å; R38-L193 HydrophobicContact CG-CD2 4.23Å; L39-L193 HydrophobicContact CD2-CD1 4.39Å; L39-L193 HydrophobicContact CD2-CD2 3.71Å; L39-L193 HydrophobicContact CG-CD2 4.24Å; L42-L193 HydrophobicContact CD1-CD2 3.59Å; L42-L193 HydrophobicContact CD1-CG 4.37Å; F189-L193 HydrophobicContact CD1-CD1 4.28Å; F189-L193 HydrophobicContact CE1-CD1 3.93Å; F189-L193 HydrophobicContact CE1-CG 4.31Å; A190-L193 WeakPolarHBondContact O-CB 3.38Å; A190-L193 PolarHBondContact O-N 3.5Å; A190-L193 VanDerWaalsContact O-N 3.08Å; E191-L193 PolarHBondContact O-N 2.98Å; L193-L196 WeakPolarHBondContact O-CB 3.3Å; L193-L196 PolarHBondContact O-N 2.96Å; L193-V197 HydrophobicContact CB-CG1 3.63Å; L193-V197 HydrophobicContact CD1-CG1 3.87Å; L193-V197 HydrophobicContact CG-CG1 4.31Å; L193-V197 PolarHBondContact O-N 3.43Å; L193-L199 HydrophobicContact CD1-CD1 3.65Å; L193-L199 HydrophobicContact CD1-CG 4.36Å |
| 194 | K | 96.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 58 Ų | 58 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 144.3 | 174.3 | -65.8 | -176.9 | -172.3 | 166.1 | 0 | 110.7 | E191 | E191-K194 PolarHBondContact O-N 2.62Å; E191-K194 IonicContact OE1-NZ 2.71Å; E191-K194 PolarHBondContact OE1-NZ 2.94Å; E191-K194 WeakPolarHBondContact OE2-CD 3.42Å; E191-K194 VanDerWaalsContact OE2-CE 3.3Å; E191-K194 WeakPolarHBondContact OE2-CE 3.31Å; E191-K194 IonicContact OE2-NZ 2.75Å; E191-K194 PolarHBondContact OE2-NZ 3.09Å |
| 195 | P | 94.8 | Very high | 90.5 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 71% | 0.708 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.8 | 2.8 | 1.6 | 36.1 | -36 | 0 | 0 | 0 | 114.4 | V197 | P195-V197 PolarHBondContact O-N 3.26Š|
| 196 | L | 95.4 | Very high | 88.8 | Confident | 64 Ų | 64 | 67.5 Ų | 67.5 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -41.3 | -171.8 | -62.1 | 174 | 0 | 0 | 0 | 112.8 | L35 R38 L193 | L35-L196 HydrophobicContact CD1-CB 4.44Å; R38-L196 HydrophobicContact CB-CD1 3.8Å; R38-L196 HydrophobicContact CG-CD1 4.08Å; L193-L196 WeakPolarHBondContact O-CB 3.3Å; L193-L196 PolarHBondContact O-N 2.96Å |
| 197 | V | 96.7 | Very high | 86.8 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | trans | -142.4 | 140.4 | 173.3 | 60.8 | 0 | 0 | 0 | 0 | 110 | L35 V169 L193 P195 L199 | L35-V197 HydrophobicContact CD1-CG1 3.76Å; L35-V197 HydrophobicContact CD2-CG1 4.47Å; V169-V197 HydrophobicContact CB-CG2 4.11Å; V169-V197 HydrophobicContact CG2-CG2 4.05Å; L193-V197 HydrophobicContact CB-CG1 3.63Å; L193-V197 HydrophobicContact CD1-CG1 3.87Å; L193-V197 HydrophobicContact CG-CG1 4.31Å; L193-V197 PolarHBondContact O-N 3.43Å; P195-V197 PolarHBondContact O-N 3.26Å; V197-L199 HydrophobicContact CG1-CD2 4.49Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; V197-L199 HydrophobicContact CG2-CD2 3.79Å; V197-L199 HydrophobicContact CG2-CG 4.32Å | ||
| 198 | H | 96.2 | Very high | 84.1 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | trans | -102.7 | 106.1 | 173 | -63.1 | 78 | 0 | 0 | 0 | 107.4 | G25 | G25-H198 WeakPolarHBondContact CA-O 3.28Š| ||
| 199 | L | 96.4 | Very high | 83.5 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | trans | -93.2 | 124.2 | 176.3 | -60.9 | -178.2 | 0 | 0 | 0 | 109.6 | L23 Q24 G25 V169 L171 A190 L193 V197 | L23-L199 HydrophobicContact CB-CB 4Å; Q24-L199 WeakPolarHBondContact O-CA 3.42Å; G25-L199 VanDerWaalsContact N-CD2 3.35Å; V169-L199 HydrophobicContact CB-CD2 3.92Å; V169-L199 HydrophobicContact CG1-CD2 3.75Å; L171-L199 HydrophobicContact CB-CD1 3.79Å; L171-L199 HydrophobicContact CD2-CD1 4.25Å; A190-L199 HydrophobicContact CB-CB 3.92Å; A190-L199 HydrophobicContact CB-CD1 4.17Å; A190-L199 HydrophobicContact CB-CG 4.49Å; L193-L199 HydrophobicContact CD1-CD1 3.65Å; L193-L199 HydrophobicContact CD1-CG 4.36Å; V197-L199 HydrophobicContact CG1-CD2 4.49Å; V197-L199 HydrophobicContact CG1-CG 4.38Å; V197-L199 HydrophobicContact CG2-CD2 3.79Å; V197-L199 HydrophobicContact CG2-CG 4.32Å | ||
| 200 | E | 92.5 | Very high | 82.8 | Confident | 134 Ų | 134 | 78 Ų | 78 | 63% | 0.626 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -135.3 | 162.6 | -175.2 | -61.8 | -173.4 | 161.9 | 0 | 0 | 111.3 | Q24 I202 | Q24-E200 PolarHBondContact N-O 3.03Å; Q24-E200 PolarHBondContact O-N 3.27Å; E200-I202 PolarHBondContact O-N 3.35Å |
| 201 | K | 89.4 | Confident | 82 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 31% | 0.313 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 121.9 | 167.8 | 176.7 | 173.5 | -176 | 165.7 | 0 | 109 | H99 A100 L101 | H99-K201 WeakPolarHBondContact O-CB 3.29Å; A100-K201 WeakPolarHBondContact O-CD 3.38Å; A100-K201 PolarHBondContact O-NZ 2.97Å; L101-K201 HydrophobicContact CB-CG 4.08Å |
| 202 | I | 82.6 | Confident | 81.1 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 12% | 0.118 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 144.8 | 176.6 | -39.4 | 154.4 | 0 | 0 | 0 | 109.4 | L22 Q24 E200 P204 R206 L207 | L22-I202 HydrophobicContact CD2-CD1 4.02Å; Q24-I202 HydrophobicContact CB-CD1 3.94Å; Q24-I202 HydrophobicContact CB-CG1 3.74Å; Q24-I202 HydrophobicContact CG-CD1 3.54Å; Q24-I202 HydrophobicContact CG-CG1 3.94Å; E200-I202 PolarHBondContact O-N 3.35Å; I202-P204 WeakPolarHBondContact O-CD 2.79Å; I202-R206 HydrophobicContact CG2-CB 4.34Å; I202-L207 HydrophobicContact CB-CD1 4.43Å; I202-L207 HydrophobicContact CD1-CD1 4.09Å; I202-L207 HydrophobicContact CD1-CD2 4.2Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG2-CG 4.45Å |
| 203 | D | 71.2 | Confident | 80.1 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 121.1 | 164.6 | -173.6 | -15.9 | 0 | 0 | 0 | 110.2 | K205 R206 | D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 WeakPolarHBondContact OD1-CB 3.47Å; D203-K205 WeakPolarHBondContact OD1-CG 3.37Å; D203-K205 PolarHBondContact OD1-N 2.95Å; D203-R206 HydrophobicContact CB-CG 4.11Å; D203-R206 WeakPolarHBondContact O-CB 3.4Å; D203-R206 PolarHBondContact O-N 2.78Å |
| 204 | P | 63.7 | Low | 79 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 15% | 0.149 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -49.7 | -30.3 | 174.8 | -29.9 | 37.7 | 0 | 0 | 0 | 114.4 | P91 I202 R206 L207 | P91-P204 HydrophobicContact CB-CB 4.04Å; P91-P204 HydrophobicContact CB-CG 3.69Å; P91-P204 HydrophobicContact CG-CB 3.81Å; P91-P204 HydrophobicContact CG-CG 3.96Å; I202-P204 WeakPolarHBondContact O-CD 2.79Å; P204-R206 PolarHBondContact O-N 3.28Å; P204-L207 PolarHBondContact O-N 2.86Å |
| 205 | K | 59.2 | Low | 77.8 | Confident | 157 Ų | 157 | 87.1 Ų | 87.1 | 68% | 0.683 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -70.1 | -15.9 | 179.2 | -63.2 | 178.4 | -179.5 | 179 | 0 | 113.7 | D203 | D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 WeakPolarHBondContact OD1-CB 3.47Å; D203-K205 WeakPolarHBondContact OD1-CG 3.37Å; D203-K205 PolarHBondContact OD1-N 2.95Å |
| 206 | R | 58.2 | Low | 76.4 | Confident | 208 Ų | 208 | 85.5 Ų | 85.5 | 79% | 0.785 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -91.9 | -5.5 | 176.9 | -62.4 | -178.8 | 66.6 | -170.9 | -1.1 | 112.8 | I202 D203 P204 | I202-R206 HydrophobicContact CG2-CB 4.34Å; D203-R206 HydrophobicContact CB-CG 4.11Å; D203-R206 WeakPolarHBondContact O-CB 3.4Å; D203-R206 PolarHBondContact O-N 2.78Å; P204-R206 PolarHBondContact O-N 3.28Å |
| 207 | L | 53.1 | Low | 74.9 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 29% | 0.293 | 40% | 0.401 | S | S | . | . | trans | -98.1 | -8.8 | 179.5 | -79.3 | 157.7 | 0 | 0 | 0 | 113.3 | L101 I202 P204 | L101-L207 HydrophobicContact CD1-CD1 3.61Å; I202-L207 HydrophobicContact CB-CD1 4.43Å; I202-L207 HydrophobicContact CD1-CD1 4.09Å; I202-L207 HydrophobicContact CD1-CD2 4.2Å; I202-L207 HydrophobicContact CD1-CG 4.35Å; I202-L207 HydrophobicContact CG2-CG 4.45Å; P204-L207 PolarHBondContact O-N 2.86Å | ||
| 208 | M | 39.1 | Very low | 72.9 | Confident | 178 Ų | 178 | 95.1 Ų | 95.1 | 88% | 0.877 | 44% | 0.437 | S | S | * | . | trans | -111.8 | 0 | -177.8 | -65.6 | -172 | -177.3 | 0 | 0 | 111.6 | Q90 | Q90-M208 HydrophobicContact CG-CE 4.14Š|
Retrieved 208 of 208 residues in 106.6 ms
(Link to these results)