| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.6 | Very low | 62.1 | Low | 242 Ų | 242 | 103.3 Ų | 103.3 | 100% | 1.192 | 57% | 0.567 | S | S | * | * | 0 | 112.6 | 0 | -77.4 | 173.7 | -177.8 | 0 | 0 | 105.6 | Q3 | M1-Q3 PolarHBondContact O-N 2.8Š| |||
| 2 | E | 33 | Very low | 65.1 | Low | 191 Ų | 191 | 100.3 Ų | 100.3 | 89% | 0.893 | 55% | 0.546 | S | S | * | . | trans | -58.1 | 121.2 | 173.9 | -75.2 | 170.4 | 141 | 0 | 0 | 108.1 | V4 | E2-V4 PolarHBondContact O-N 3.11Å; E2-V4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | Q | 38 | Very low | 67.7 | Low | 183 Ų | 183 | 92.6 Ų | 92.6 | 86% | 0.855 | 50% | 0.504 | S | S | * | . | trans | -65.6 | 107.2 | 167.8 | -86.3 | 173.3 | -24.5 | 0 | 0 | 106.7 | M1 | M1-Q3 PolarHBondContact O-N 2.8Š| ||
| 4 | V | 40.2 | Very low | 69.9 | Low | 126 Ų | 126 | 87.9 Ų | 87.9 | 76% | 0.764 | 48% | 0.48 | S | S | * | . | trans | -62.2 | 125.6 | 166.1 | -178.3 | 0 | 0 | 0 | 0 | 106.1 | E2 S6 | E2-V4 PolarHBondContact O-N 3.11Å; E2-V4 VanDerWaalsContact O-N 3.1Å; V4-S6 PolarHBondContact O-N 3.47Å | ||
| 5 | P | 46.7 | Very low | 71.8 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | trans | -55.7 | 128.1 | 175.8 | -18.4 | 29 | 0 | 0 | 0 | 108.3 | A7 | P5-A7 PolarHBondContact O-N 2.92Š| ||
| 6 | S | 56.4 | Low | 73.4 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | trans | -54 | 110.9 | 172.6 | 160.9 | 0 | 0 | 0 | 0 | 108.4 | V4 G8 | V4-S6 PolarHBondContact O-N 3.47Å; S6-G8 PolarHBondContact O-N 3.12Å | ||
| 7 | A | 67.9 | Low | 74.8 | Confident | 85 Ų | 85 | 76.8 Ų | 76.8 | 70% | 0.702 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 132.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P5 | P5-A7 PolarHBondContact O-N 2.92Š|
| 8 | G | 80.3 | Confident | 76 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 21% | 0.206 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -64 | 148.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | S6 E65 F66 | S6-G8 PolarHBondContact O-N 3.12Å; G8-E65 WeakPolarHBondContact CA-OE1 3.4Å; G8-E65 PolarHBondContact N-OE1 2.94Å; G8-F66 CarbonylContact C-O 3.28Å; G8-F66 VanDerWaalsContact CA-O 3.24Å; G8-F66 WeakPolarHBondContact CA-O 3.29Å |
| 9 | R | 90.8 | Very high | 76.9 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.2 | -177.1 | -74.1 | 176 | -75.6 | -175.7 | -2.7 | 109.3 | V11 F66 P156 L157 | R9-V11 PolarHBondContact O-N 3.46Å; R9-F66 PolarHBondContact N-O 3.32Å; R9-F66 VanDerWaalsContact NH2-CE1 3.27Å; R9-F66 WeakPolarHBondContact O-CB 3.42Å; R9-F66 PolarHBondContact O-N 3.46Å; R9-P156 PolarHBondContact NH1-O 3.21Å; R9-L157 HydrophobicContact CB-CD2 4.11Å; R9-L157 PolarHBondContact NH1-O 2.95Å; R9-L157 PolarHBondContact NH2-O 3.08Å |
| 10 | L | 95.2 | Very high | 77.6 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 44% | 0.44 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 119.2 | -178.1 | -165.7 | 71.8 | 0 | 0 | 0 | 110.6 | Q12 | L10-Q12 HydrophobicContact CD2-CG 3.93Å; L10-Q12 HydrophobicContact CG-CG 4.14Å |
| 11 | V | 97.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.1 | 169.1 | -175.6 | 0 | 0 | 0 | 0 | 107.9 | R9 S63 F64 F66 L114 V151 V153 L157 | R9-V11 PolarHBondContact O-N 3.46Å; V11-S63 WeakPolarHBondContact O-CA 3.49Å; V11-S63 WeakPolarHBondContact O-CB 3.47Å; V11-F64 HydrophobicContact CB-CD2 4.16Å; V11-F64 HydrophobicContact CB-CE1 4.21Å; V11-F64 HydrophobicContact CB-CE2 3.72Å; V11-F64 HydrophobicContact CB-CZ 3.75Å; V11-F64 HydrophobicContact CG1-CE1 4.16Å; V11-F64 HydrophobicContact CG1-CE2 4.29Å; V11-F64 HydrophobicContact CG1-CZ 3.81Å; V11-F64 HydrophobicContact CG2-CD2 4.24Å; V11-F64 HydrophobicContact CG2-CE2 3.59Å; V11-F64 HydrophobicContact CG2-CZ 3.96Å; V11-F64 PolarHBondContact N-O 3.45Å; V11-F64 PolarHBondContact O-N 3.42Å; V11-F64 VanDerWaalsContact O-N 3.11Å; V11-F66 HydrophobicContact CG2-CB 3.98Å; V11-L114 HydrophobicContact CG1-CD1 3.84Å; V11-L114 HydrophobicContact CG2-CD1 4.46Å; V11-V151 HydrophobicContact CG1-CG1 4.1Å; V11-V153 HydrophobicContact CB-CG1 4.01Å; V11-V153 HydrophobicContact CG1-CG1 4.18Å; V11-V153 HydrophobicContact CG2-CG1 3.61Å; V11-L157 HydrophobicContact CG2-CD1 4.43Å |
| 12 | Q | 98.1 | Very high | 80.3 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 32% | 0.318 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.3 | 179.6 | -61.8 | -174.7 | -51 | 0 | 0 | 110.2 | L10 T61 V151 L152 | L10-Q12 HydrophobicContact CD2-CG 3.93Å; L10-Q12 HydrophobicContact CG-CG 4.14Å; Q12-T61 HydrophobicContact CB-CG2 4.26Å; Q12-V151 CarbonylContact O-C 3.53Å; Q12-V151 VanDerWaalsContact O-CA 3.29Å; Q12-V151 WeakPolarHBondContact O-CA 3.48Å; Q12-L152 HydrophobicContact CB-CB 4.45Å; Q12-L152 PolarHBondContact N-O 2.8Å; Q12-L152 PolarHBondContact O-N 3.41Å |
| 13 | I | 98.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.8 | 174.6 | -59.1 | 120.5 | 0 | 0 | 0 | 107.9 | L42 T61 S62 F64 V82 V149 V151 | I13-L42 HydrophobicContact CD1-CD1 4.2Å; I13-T61 CarbonylContact O-C 3.46Å; I13-T61 WeakPolarHBondContact O-CA 3.3Å; I13-S62 PolarHBondContact N-O 3.06Å; I13-S62 PolarHBondContact O-N 3.48Å; I13-F64 HydrophobicContact CD1-CD1 3.97Å; I13-F64 HydrophobicContact CD1-CE1 3.68Å; I13-V82 HydrophobicContact CD1-CG1 4.28Å; I13-V82 HydrophobicContact CD1-CG2 3.9Å; I13-V82 HydrophobicContact CG1-CG2 4.41Å; I13-V149 HydrophobicContact CG2-CG1 3.73Å; I13-V151 HydrophobicContact CG1-CG2 4.27Å |
| 14 | T | 98.6 | Very high | 84 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.7 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 110.2 | T16 F60 T61 V149 K150 | T14-T16 HydrophobicContact CG2-CG2 4.19Å; T14-F60 CarbonylContact C-O 3.33Å; T14-F60 VanDerWaalsContact CA-O 3.26Å; T14-F60 WeakPolarHBondContact CA-O 3.3Å; T14-T61 WeakPolarHBondContact CG2-OG1 3.48Å; T14-T61 WeakPolarHBondContact OG1-CG2 3.36Å; T14-T61 PolarHBondContact OG1-OG1 3.17Å; T14-V149 CarbonylContact O-C 3.56Å; T14-V149 WeakPolarHBondContact O-CA 3.45Å; T14-K150 PolarHBondContact N-O 2.95Å; T14-K150 PolarHBondContact O-N 3.5Å |
| 15 | V | 98.3 | Very high | 85.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 111.8 | 167.7 | -169.2 | 0 | 0 | 0 | 0 | 108.2 | I33 Y58 N59 F60 L84 L147 E148 V149 | V15-I33 HydrophobicContact CB-CD1 4.06Å; V15-I33 HydrophobicContact CG1-CD1 3.54Å; V15-I33 HydrophobicContact CG2-CD1 4.3Å; V15-I33 HydrophobicContact CG2-CG2 4.42Å; V15-Y58 HydrophobicContact CG1-CD2 4.42Å; V15-N59 CarbonylContact O-C 3.53Å; V15-N59 WeakPolarHBondContact O-CA 3.47Å; V15-N59 PolarHBondContact O-N 3.25Å; V15-F60 PolarHBondContact N-O 3.05Å; V15-F60 PolarHBondContact O-N 2.92Å; V15-L84 HydrophobicContact CG2-CD1 3.64Å; V15-L84 HydrophobicContact CG2-CD2 3.95Å; V15-L84 HydrophobicContact CG2-CG 4.42Å; V15-L147 HydrophobicContact CG1-CB 4.19Å; V15-L147 HydrophobicContact CG1-CD1 4.46Å; V15-L147 HydrophobicContact CG1-CD2 4.4Å; V15-E148 WeakPolarHBondContact CA-O 3.39Å; V15-V149 HydrophobicContact CG2-CG2 4.35Å |
| 16 | T | 97.6 | Very high | 86 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -60 | -177.3 | 47.2 | 0 | 0 | 0 | 0 | 110 | T14 Y58 N59 E148 | T14-T16 HydrophobicContact CG2-CG2 4.19Å; T16-Y58 PolarHBondContact O-N 3.49Å; T16-N59 PolarHBondContact O-N 3.49Å; T16-E148 PolarHBondContact N-O 2.95Å; T16-E148 WeakPolarHBondContact OG1-CB 3.38Å; T16-E148 VanDerWaalsContact OG1-CG 3.3Å; T16-E148 WeakPolarHBondContact OG1-CG 3.4Å; T16-E148 PolarHBondContact OG1-O 3.33Å; T16-E148 PolarHBondContact OG1-OE2 3.02Å |
| 17 | E | 97.5 | Very high | 86.7 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 156.3 | -173.3 | -57.9 | -162.3 | 162.5 | 0 | 0 | 112.1 | Y19 A56 K57 L147 E148 | E17-Y19 HydrophobicContact CB-CE1 4.06Å; E17-Y19 HydrophobicContact CB-CE2 4.31Å; E17-Y19 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y19 WeakPolarHBondContact OE2-CE1 3.3Å; E17-Y19 VanDerWaalsContact OE2-CZ 3.3Å; E17-Y19 PolarHBondContact OE2-OH 3.23Å; E17-A56 CarbonylContact C-O 3.58Å; E17-A56 VanDerWaalsContact CA-O 3.25Å; E17-A56 WeakPolarHBondContact CA-O 3.37Å; E17-K57 HydrophobicContact CG-CG 4.27Å; E17-K57 WeakPolarHBondContact OE1-CE 3.3Å; E17-K57 IonicContact OE1-NZ 2.6Å; E17-L147 WeakPolarHBondContact O-CA 3.48Å; E17-E148 HydrophobicContact CB-CB 4.34Å; E17-E148 PolarHBondContact O-N 3.34Å |
| 18 | G | 96.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S55 A56 S146 | G18-S55 CarbonylContact O-C 3.5Å; G18-S55 WeakPolarHBondContact O-CA 3.48Å; G18-A56 PolarHBondContact N-O 2.96Å; G18-A56 PolarHBondContact O-N 3.33Å; G18-S146 WeakPolarHBondContact CA-O 3.41Å |
| 19 | Y | 94.2 | Very high | 88.2 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 26% | 0.263 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 147 | -174.1 | -56.2 | -64.3 | 0 | 0 | 0 | 112.2 | E17 L21 G54 C145 S146 E148 | E17-Y19 HydrophobicContact CB-CE1 4.06Å; E17-Y19 HydrophobicContact CB-CE2 4.31Å; E17-Y19 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y19 WeakPolarHBondContact OE2-CE1 3.3Å; E17-Y19 VanDerWaalsContact OE2-CZ 3.3Å; E17-Y19 PolarHBondContact OE2-OH 3.23Å; Y19-L21 PolarHBondContact O-N 2.81Å; Y19-L21 VanDerWaalsContact O-N 3.08Å; Y19-G54 CarbonylContact C-O 3.45Å; Y19-C145 WeakPolarHBondContact O-CA 3.32Å; Y19-S146 PolarHBondContact N-O 2.84Å; Y19-S146 PolarHBondContact O-N 3.41Å; Y19-E148 HydrophobicContact CE2-CB 3.99Å |
| 20 | D | 90.6 | Very high | 88.3 | Confident | 43 Ų | 43 | 50.9 Ų | 50.9 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 53.6 | 25.3 | 178.5 | -65.3 | -69.9 | 0 | 0 | 0 | 113.8 | K22 G54 K143 C145 | D20-K22 PolarHBondContact O-N 3.21Å; D20-G54 PolarHBondContact N-O 2.89Å; D20-K143 HydrophobicContact CB-CB 4.23Å; D20-K143 WeakPolarHBondContact OD1-CD 3.21Å; D20-C145 PolarHBondContact O-SG 3.2Å |
| 21 | L | 88.4 | Confident | 88.4 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -67.2 | 129.9 | -179.4 | -66.2 | 176.1 | 0 | 0 | 0 | 110.7 | Y19 V50 G54 A56 Y58 V86 L127 C145 | Y19-L21 PolarHBondContact O-N 2.81Å; Y19-L21 VanDerWaalsContact O-N 3.08Å; L21-V50 HydrophobicContact CB-CG1 3.92Å; L21-V50 HydrophobicContact CB-CG2 4.1Å; L21-V50 HydrophobicContact CD1-CG2 4.09Å; L21-G54 PolarHBondContact N-O 3.31Å; L21-G54 WeakPolarHBondContact O-CA 3.5Å; L21-A56 HydrophobicContact CD1-CB 4.02Å; L21-Y58 HydrophobicContact CD1-CE2 4.06Å; L21-Y58 WeakPolarHBondContact CD1-OH 3.49Å; L21-V86 HydrophobicContact CD2-CG1 4.39Å; L21-L127 HydrophobicContact CD2-CD2 3.83Å; L21-C145 HydrophobicContact CD2-CB 4.47Å | ||
| 22 | K | 83.1 | Confident | 88.4 | Confident | 110 Ų | 110 | 48 Ų | 48 | 48% | 0.478 | 25% | 0.25 | S | S | . | . | trans | -130.5 | 135.5 | 179.7 | -65.1 | -176.5 | -174.7 | -179.6 | 0 | 111 | D20 | D20-K22 PolarHBondContact O-N 3.21Š| ||
| 23 | G | 75.4 | Confident | 88.4 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | trans | -86.4 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E88 | G23-E88 WeakPolarHBondContact CA-OE2 3.15Š| ||
| 24 | F | 73.4 | Confident | 88.4 | Confident | 117 Ų | 117 | 48.9 Ų | 48.9 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -70.4 | -37.7 | 173.1 | -176.7 | -117.6 | 0 | 0 | 0 | 112.5 | E88 L102 P134 | F24-E88 WeakPolarHBondContact CB-OE2 3.21Å; F24-E88 PolarHBondContact N-OE1 2.96Å; F24-E88 PolarHBondContact N-OE2 2.94Å; F24-L102 HydrophobicContact CB-CD2 3.56Å; F24-L102 HydrophobicContact CD1-CD2 4.27Å; F24-L102 HydrophobicContact CD2-CD2 4.19Å; F24-L102 HydrophobicContact CG-CD2 3.77Å; F24-P134 HydrophobicContact CB-CB 4.46Å; F24-P134 HydrophobicContact CB-CG 3.75Å; F24-P134 HydrophobicContact CD2-CB 3.91Å; F24-P134 HydrophobicContact CD2-CG 3.55Å; F24-P134 HydrophobicContact CG-CG 4.04Å |
| 25 | K | 63.6 | Low | 88.3 | Confident | 152 Ų | 152 | 47.6 Ų | 47.6 | 66% | 0.661 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -132 | 65.5 | -177.2 | -77.1 | -176.1 | 178 | -178.3 | 0 | 111.7 | ||
| 26 | G | 65.5 | Low | 88 | Confident | 42 Ų | 42 | 50.1 Ų | 50.1 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | trans | 139.2 | 169.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T28 | G26-T28 VanDerWaalsContact C-N 3.31Š| ||
| 27 | D | 70.4 | Confident | 87.7 | Confident | 139 Ų | 139 | 49 Ų | 49 | 74% | 0.743 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -82.9 | -7.4 | -176.2 | -57.7 | -40.7 | 0 | 0 | 0 | 113.1 | ||
| 28 | T | 88.2 | Confident | 87 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -136.2 | 63 | -177.1 | 50.1 | 0 | 0 | 0 | 0 | 112 | G26 V50 P52 | G26-T28 VanDerWaalsContact C-N 3.31Å; T28-V50 WeakPolarHBondContact CA-O 3.45Å; T28-V50 WeakPolarHBondContact CB-O 3.44Å; T28-V50 WeakPolarHBondContact CG2-O 3.46Å; T28-P52 HydrophobicContact CG2-CB 4.41Å; T28-P52 HydrophobicContact CG2-CG 3.91Å |
| 29 | P | 90.8 | Very high | 86.3 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.039 | 29% | 0.294 | C | S | . | . | trans | -61.6 | 151.1 | 178.7 | 28.5 | -38 | 0 | 0 | 0 | 112.1 | T31 V50 E88 | P29-T31 HydrophobicContact CB-CG2 4.07Å; P29-T31 HydrophobicContact CG-CG2 4.19Å; P29-V50 HydrophobicContact CG-CB 3.88Å; P29-V50 HydrophobicContact CG-CG1 4.47Å; P29-V50 HydrophobicContact CG-CG2 3.8Å; P29-V50 WeakPolarHBondContact O-CB 3.48Å; P29-V50 WeakPolarHBondContact O-CG2 3.35Å; P29-V50 PolarHBondContact O-N 2.86Å; P29-E88 HydrophobicContact CB-CG 3.94Å | ||
| 30 | V | 94.6 | Very high | 85.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.8 | 166.4 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | K47 I48 E88 V89 | V30-K47 HydrophobicContact CG1-CB 3.84Å; V30-I48 WeakPolarHBondContact CA-O 3.41Å; V30-E88 CarbonylContact O-C 3.54Å; V30-E88 WeakPolarHBondContact O-CA 3.3Å; V30-V89 HydrophobicContact CB-CB 4.32Å; V30-V89 HydrophobicContact CG1-CB 4.27Å; V30-V89 HydrophobicContact CG1-CG2 4.47Å; V30-V89 PolarHBondContact O-N 3.47Å |
| 31 | T | 95.6 | Very high | 86 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151 | -170.7 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | P29 K47 I48 V50 Y58 V86 T87 L104 | P29-T31 HydrophobicContact CB-CG2 4.07Å; P29-T31 HydrophobicContact CG-CG2 4.19Å; T31-K47 CarbonylContact O-C 3.6Å; T31-K47 WeakPolarHBondContact O-CA 3.31Å; T31-I48 PolarHBondContact N-O 3.39Å; T31-I48 PolarHBondContact O-N 3.05Å; T31-I48 PolarHBondContact OG1-O 3.48Å; T31-V50 HydrophobicContact CG2-CG2 3.88Å; T31-V50 WeakPolarHBondContact OG1-CG2 3.29Å; T31-Y58 WeakPolarHBondContact CB-OH 3.43Å; T31-Y58 PolarHBondContact OG1-OH 3.05Å; T31-V86 HydrophobicContact CG2-CG1 4.45Å; T31-T87 CarbonylContact C-O 3.58Å; T31-T87 WeakPolarHBondContact CA-O 3.37Å; T31-L104 HydrophobicContact CG2-CD1 3.83Å |
| 32 | F | 97.7 | Very high | 86.4 | Confident | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.101 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160.1 | 168.1 | 71.3 | -83.9 | 0 | 0 | 0 | 109.9 | D44 S45 K47 T87 V89 T101 | F32-D44 HydrophobicContact CD2-CB 4.33Å; F32-S45 WeakPolarHBondContact CA-OG 3.45Å; F32-K47 HydrophobicContact CB-CG 4.24Å; F32-K47 HydrophobicContact CD1-CG 4.41Å; F32-T87 HydrophobicContact CD1-CG2 4.43Å; F32-T87 HydrophobicContact CE1-CG2 3.55Å; F32-T87 HydrophobicContact CZ-CG2 3.72Å; F32-T87 PolarHBondContact N-O 3.29Å; F32-T87 PolarHBondContact O-N 3.04Å; F32-V89 HydrophobicContact CD1-CG2 3.7Å; F32-V89 HydrophobicContact CE1-CG2 3.91Å; F32-T101 HydrophobicContact CE1-CG2 4.25Å |
| 33 | I | 98.1 | Very high | 87 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.2 | -178.7 | -60.9 | -178.7 | 0 | 0 | 0 | 108.9 | V15 D44 S45 Y58 F60 L84 T85 V86 L147 | V15-I33 HydrophobicContact CB-CD1 4.06Å; V15-I33 HydrophobicContact CG1-CD1 3.54Å; V15-I33 HydrophobicContact CG2-CD1 4.3Å; V15-I33 HydrophobicContact CG2-CG2 4.42Å; I33-D44 CarbonylContact O-C 3.54Å; I33-D44 WeakPolarHBondContact O-CA 3.3Å; I33-S45 PolarHBondContact N-OG 3.44Å; I33-S45 PolarHBondContact O-N 2.96Å; I33-Y58 HydrophobicContact CD1-CD1 3.82Å; I33-Y58 HydrophobicContact CD1-CD2 3.55Å; I33-Y58 HydrophobicContact CD1-CE1 3.87Å; I33-Y58 HydrophobicContact CD1-CE2 3.6Å; I33-Y58 HydrophobicContact CD1-CG 3.63Å; I33-Y58 HydrophobicContact CG1-CD1 3.9Å; I33-Y58 HydrophobicContact CG1-CD2 4.42Å; I33-Y58 HydrophobicContact CG1-CE1 3.67Å; I33-Y58 HydrophobicContact CG1-CE2 4.21Å; I33-Y58 HydrophobicContact CG1-CG 4.25Å; I33-F60 HydrophobicContact CB-CD1 4.41Å; I33-F60 HydrophobicContact CG2-CD1 4.38Å; I33-L84 HydrophobicContact CG2-CB 4.19Å; I33-L84 HydrophobicContact CG2-CD2 4.17Å; I33-T85 WeakPolarHBondContact CA-O 3.5Å; I33-V86 HydrophobicContact CG1-CG2 4.23Å; I33-L147 HydrophobicContact CD1-CD1 4.12Å; I33-L147 HydrophobicContact CD1-CD2 4.01Å |
| 34 | R | 97.7 | Very high | 88.1 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 33% | 0.328 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.1 | 166.1 | 177.9 | 165.3 | -68.3 | 175 | -0.6 | 109.5 | E36 V41 D44 L84 T85 | R34-E36 WeakPolarHBondContact CD-OE1 3.29Å; R34-E36 HydrophobicContact CG-CG 3.9Å; R34-V41 HydrophobicContact CG-CG1 4.04Å; R34-D44 VanDerWaalsContact CB-OD1 3.26Å; R34-D44 WeakPolarHBondContact CB-OD1 3.38Å; R34-D44 VanDerWaalsContact CG-OD1 3.28Å; R34-D44 WeakPolarHBondContact CG-OD1 3.47Å; R34-D44 IonicContact CZ-OD1 2.67Å; R34-D44 IonicContact CZ-OD2 3.78Å; R34-D44 IonicContact NE-OD1 2.58Å; R34-D44 PolarHBondContact NE-OD1 2.72Å; R34-D44 IonicContact NE-OD2 2.73Å; R34-D44 IonicContact NH2-OD1 2.63Å; R34-D44 PolarHBondContact NH2-OD1 3.49Å; R34-D44 IonicContact NH2-OD2 2.82Å; R34-D44 PolarHBondContact NH2-OD2 2.99Å; R34-L84 WeakPolarHBondContact O-CA 3.46Å; R34-T85 PolarHBondContact N-O 3.44Å; R34-T85 PolarHBondContact O-N 3.39Å |
| 35 | A | 97.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L42 G43 F60 S62 F83 L84 | A35-L42 HydrophobicContact CB-CB 4.19Å; A35-L42 HydrophobicContact CB-CD1 4.47Å; A35-L42 PolarHBondContact O-N 3.05Å; A35-G43 PolarHBondContact N-O 2.65Å; A35-G43 PolarHBondContact O-N 3.41Å; A35-F60 HydrophobicContact CB-CE1 3.86Å; A35-F60 HydrophobicContact CB-CZ 4.34Å; A35-S62 WeakPolarHBondContact CB-OG 3.49Å; A35-F83 WeakPolarHBondContact CA-O 3.46Å; A35-L84 HydrophobicContact CB-CD2 3.82Å |
| 36 | E | 92.8 | Very high | 90.9 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.9 | 178.2 | -54.2 | -175.8 | -177.7 | 0 | 0 | 110.3 | R34 V40 V41 F83 | R34-E36 WeakPolarHBondContact CD-OE1 3.29Å; R34-E36 HydrophobicContact CG-CG 3.9Å; E36-V40 VanDerWaalsContact CA-O 3.31Å; E36-V40 WeakPolarHBondContact CA-O 3.32Å; E36-V41 HydrophobicContact CG-CG2 4.14Å; E36-F83 HydrophobicContact CB-CB 4.4Å; E36-F83 PolarHBondContact N-O 3.04Å; E36-F83 PolarHBondContact O-N 2.78Å |
| 37 | F | 90.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.7 | 173.1 | 178.2 | -100.9 | 0 | 0 | 0 | 108.9 | Q39 V40 L42 F64 I72 D76 L77 K80 V82 L111 | F37-Q39 VanDerWaalsContact C-N 3.26Å; F37-Q39 PolarHBondContact O-N 2.91Å; F37-V40 PolarHBondContact N-O 3.4Å; F37-V40 PolarHBondContact O-N 3.2Å; F37-L42 HydrophobicContact CB-CD1 3.84Å; F37-L42 HydrophobicContact CB-CD2 4.29Å; F37-L42 HydrophobicContact CB-CG 4.22Å; F37-F64 HydrophobicContact CB-CD1 4.27Å; F37-F64 HydrophobicContact CB-CE1 4.35Å; F37-F64 AromaticContact CD1-CD1 3.96Å; F37-F64 HydrophobicContact CD1-CD1 3.96Å; F37-F64 AromaticContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE2 4.49Å; F37-F64 HydrophobicContact CD1-CG 4.26Å; F37-F64 HydrophobicContact CD1-CZ 4.19Å; F37-F64 HydrophobicContact CD2-CE1 4.2Å; F37-F64 HydrophobicContact CE1-CE1 4.26Å; F37-F64 HydrophobicContact CE1-CE2 4.22Å; F37-F64 HydrophobicContact CE1-CZ 4.08Å; F37-F64 HydrophobicContact CE2-CE1 4.5Å; F37-F64 HydrophobicContact CE2-CZ 4.44Å; F37-F64 HydrophobicContact CG-CD1 4.12Å; F37-F64 AromaticContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CZ 4.45Å; F37-F64 HydrophobicContact CZ-CZ 4.2Å; F37-I72 HydrophobicContact CD1-CD1 3.89Å; F37-I72 HydrophobicContact CE1-CB 4.45Å; F37-I72 HydrophobicContact CE1-CD1 3.8Å; F37-I72 HydrophobicContact CE1-CG1 4.04Å; F37-I72 HydrophobicContact CE1-CG2 3.57Å; F37-I72 HydrophobicContact CZ-CG2 4.09Å; F37-D76 HydrophobicContact CZ-CB 4.2Å; F37-L77 HydrophobicContact CZ-CD2 4.06Å; F37-K80 HydrophobicContact CE2-CB 4.06Å; F37-K80 WeakPolarHBondContact CE2-O 3.4Å; F37-K80 HydrophobicContact CZ-CB 4.36Å; F37-V82 HydrophobicContact CB-CG2 4.33Å; F37-V82 HydrophobicContact CD2-CG2 3.64Å; F37-V82 HydrophobicContact CE2-CG2 4.38Å; F37-V82 HydrophobicContact CG-CG2 4.31Å; F37-L111 HydrophobicContact CD2-CD1 4.43Å; F37-L111 HydrophobicContact CE2-CD1 4Å |
| 38 | N | 83.4 | Confident | 93.6 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 42.6 | 179.6 | -164.3 | 21.1 | 0 | 0 | 0 | 113.4 | V40 K80 | N38-V40 PolarHBondContact O-N 3.09Å; N38-V40 VanDerWaalsContact O-N 3.11Å; N38-K80 HydrophobicContact CB-CD 4.14Å; N38-K80 VanDerWaalsContact OD1-CD 3.29Å; N38-K80 WeakPolarHBondContact OD1-CD 3.48Å; N38-K80 WeakPolarHBondContact OD1-CE 3.28Å; N38-K80 PolarHBondContact OD1-NZ 3.09Å |
| 39 | Q | 81.6 | Confident | 93.9 | Very high | 192 Ų | 192 | 51.4 Ų | 51.4 | 90% | 0.897 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 8.6 | -176.7 | -51.4 | 177.1 | 6.5 | 0 | 0 | 115.2 | F37 | F37-Q39 VanDerWaalsContact C-N 3.26Å; F37-Q39 PolarHBondContact O-N 2.91Å |
| 40 | V | 85.1 | Confident | 94.1 | Very high | 89 Ų | 89 | 51.2 Ų | 51.2 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.3 | 175.6 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | E36 F37 N38 L42 | E36-V40 VanDerWaalsContact CA-O 3.31Å; E36-V40 WeakPolarHBondContact CA-O 3.32Å; F37-V40 PolarHBondContact N-O 3.4Å; F37-V40 PolarHBondContact O-N 3.2Å; N38-V40 PolarHBondContact O-N 3.09Å; N38-V40 VanDerWaalsContact O-N 3.11Å; V40-L42 PolarHBondContact O-N 3.01Å |
| 41 | V | 93.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 118.3 | 172.1 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | R34 E36 | R34-V41 HydrophobicContact CG-CG1 4.04Å; E36-V41 HydrophobicContact CG-CG2 4.14Å |
| 42 | L | 96 | Very high | 93.7 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -29.2 | 177.7 | -55.3 | -178.1 | 0 | 0 | 0 | 111.7 | I13 A35 F37 V40 F64 | I13-L42 HydrophobicContact CD1-CD1 4.2Å; A35-L42 HydrophobicContact CB-CB 4.19Å; A35-L42 HydrophobicContact CB-CD1 4.47Å; A35-L42 PolarHBondContact O-N 3.05Å; F37-L42 HydrophobicContact CB-CD1 3.84Å; F37-L42 HydrophobicContact CB-CD2 4.29Å; F37-L42 HydrophobicContact CB-CG 4.22Å; V40-L42 PolarHBondContact O-N 3.01Å; L42-F64 HydrophobicContact CD1-CD1 3.98Å; L42-F64 HydrophobicContact CD2-CB 4.05Å; L42-F64 HydrophobicContact CD2-CD1 4.48Å |
| 43 | G | 96.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 60.2 Ų | 60.2 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.4 | 174.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | A35 F60 | A35-G43 PolarHBondContact N-O 2.65Å; A35-G43 PolarHBondContact O-N 3.41Å; G43-F60 WeakPolarHBondContact O-CZ 3.18Å |
| 44 | D | 97.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 140 | 176.1 | -68.8 | -22.2 | 0 | 0 | 0 | 110.4 | F32 I33 R34 F60 | F32-D44 HydrophobicContact CD2-CB 4.33Å; I33-D44 CarbonylContact O-C 3.54Å; I33-D44 WeakPolarHBondContact O-CA 3.3Å; R34-D44 VanDerWaalsContact CB-OD1 3.26Å; R34-D44 WeakPolarHBondContact CB-OD1 3.38Å; R34-D44 VanDerWaalsContact CG-OD1 3.28Å; R34-D44 WeakPolarHBondContact CG-OD1 3.47Å; R34-D44 IonicContact CZ-OD1 2.67Å; R34-D44 IonicContact CZ-OD2 3.78Å; R34-D44 IonicContact NE-OD1 2.58Å; R34-D44 PolarHBondContact NE-OD1 2.72Å; R34-D44 IonicContact NE-OD2 2.73Å; R34-D44 IonicContact NH2-OD1 2.63Å; R34-D44 PolarHBondContact NH2-OD1 3.49Å; R34-D44 IonicContact NH2-OD2 2.82Å; R34-D44 PolarHBondContact NH2-OD2 2.99Å; D44-F60 WeakPolarHBondContact O-CE2 3.02Å |
| 45 | S | 98.2 | Very high | 92.6 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 164.4 | 170.7 | 80.6 | 0 | 0 | 0 | 0 | 111.5 | F32 I33 F60 | F32-S45 WeakPolarHBondContact CA-OG 3.45Å; I33-S45 PolarHBondContact N-OG 3.44Å; I33-S45 PolarHBondContact O-N 2.96Å; S45-F60 VanDerWaalsContact CB-CG 3.44Å |
| 46 | A | 97.3 | Very high | 92.6 | Very high | 69 Ų | 69 | 59 Ų | 59 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 153.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | I48 | A46-I48 HydrophobicContact CB-CD1 4.25Å; A46-I48 PolarHBondContact O-N 2.8Å |
| 47 | K | 96.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 62.9 Ų | 62.9 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 122.7 | 171.1 | -67.1 | 174.9 | 179.5 | 176.4 | 0 | 109.3 | V30 T31 F32 V89 E99 | V30-K47 HydrophobicContact CG1-CB 3.84Å; T31-K47 CarbonylContact O-C 3.6Å; T31-K47 WeakPolarHBondContact O-CA 3.31Å; F32-K47 HydrophobicContact CB-CG 4.24Å; F32-K47 HydrophobicContact CD1-CG 4.41Å; K47-V89 HydrophobicContact CD-CG2 4.01Å; K47-V89 HydrophobicContact CG-CG2 4.22Å; K47-E99 IonicContact NZ-OE1 3.52Å; K47-E99 PolarHBondContact NZ-OE1 3.41Å; K47-E99 IonicContact NZ-OE2 2.89Å; K47-E99 PolarHBondContact NZ-OE2 3.25Å |
| 48 | I | 96.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.205 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.5 | -177.6 | -54 | -58.1 | 0 | 0 | 0 | 109.5 | V30 T31 A46 V50 A56 Y58 | V30-I48 WeakPolarHBondContact CA-O 3.41Å; T31-I48 PolarHBondContact N-O 3.39Å; T31-I48 PolarHBondContact O-N 3.05Å; T31-I48 PolarHBondContact OG1-O 3.48Å; A46-I48 HydrophobicContact CB-CD1 4.25Å; A46-I48 PolarHBondContact O-N 2.8Å; I48-V50 PolarHBondContact O-N 3.31Å; I48-A56 HydrophobicContact CG2-CB 4.09Å; I48-Y58 HydrophobicContact CB-CD1 4.27Å; I48-Y58 HydrophobicContact CB-CE1 4.15Å; I48-Y58 HydrophobicContact CG1-CD1 3.72Å; I48-Y58 HydrophobicContact CG1-CE1 4.08Å; I48-Y58 HydrophobicContact CG1-CG 4.47Å |
| 49 | T | 95.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 122.6 | 169.3 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 50 | V | 94.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.006 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 138.1 | 175 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | L21 T28 P29 T31 I48 A56 | L21-V50 HydrophobicContact CB-CG1 3.92Å; L21-V50 HydrophobicContact CB-CG2 4.1Å; L21-V50 HydrophobicContact CD1-CG2 4.09Å; T28-V50 WeakPolarHBondContact CA-O 3.45Å; T28-V50 WeakPolarHBondContact CB-O 3.44Å; T28-V50 WeakPolarHBondContact CG2-O 3.46Å; P29-V50 HydrophobicContact CG-CB 3.88Å; P29-V50 HydrophobicContact CG-CG1 4.47Å; P29-V50 HydrophobicContact CG-CG2 3.8Å; P29-V50 WeakPolarHBondContact O-CB 3.48Å; P29-V50 WeakPolarHBondContact O-CG2 3.35Å; P29-V50 PolarHBondContact O-N 2.86Å; T31-V50 HydrophobicContact CG2-CG2 3.88Å; T31-V50 WeakPolarHBondContact OG1-CG2 3.29Å; I48-V50 PolarHBondContact O-N 3.31Å; V50-A56 HydrophobicContact CG2-CB 4.13Å |
| 51 | S | 93.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 159.2 | 177.1 | 88.6 | 0 | 0 | 0 | 0 | 111.4 | E53 G54 S55 | S51-E53 VanDerWaalsContact CB-OE2 3.23Å; S51-E53 WeakPolarHBondContact CB-OE2 3.34Å; S51-E53 PolarHBondContact O-N 3Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 PolarHBondContact OG-N 3.21Å; S51-E53 PolarHBondContact OG-OE2 3.36Å; S51-G54 PolarHBondContact O-N 3.37Å; S51-S55 WeakPolarHBondContact CB-O 3.42Å; S51-S55 WeakPolarHBondContact CB-OG 3.27Å; S51-S55 PolarHBondContact N-O 2.89Å; S51-S55 PolarHBondContact OG-N 3Å; S51-S55 PolarHBondContact OG-O 3.45Å; S51-S55 PolarHBondContact OG-OG 3.06Å |
| 52 | P | 88.4 | Confident | 95.4 | Very high | 93 Ų | 93 | 54 Ų | 54 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25 | 175.7 | -25.1 | 35.1 | 0 | 0 | 0 | 114.1 | T28 G54 | T28-P52 HydrophobicContact CG2-CB 4.41Å; T28-P52 HydrophobicContact CG2-CG 3.91Å; P52-G54 VanDerWaalsContact C-N 3.27Å |
| 53 | E | 88.1 | Confident | 95.5 | Very high | 143 Ų | 143 | 54.5 Ų | 54.5 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.4 | 176.3 | -51.9 | 73.2 | -156.3 | 0 | 0 | 113 | S51 | S51-E53 VanDerWaalsContact CB-OE2 3.23Å; S51-E53 WeakPolarHBondContact CB-OE2 3.34Å; S51-E53 PolarHBondContact O-N 3Å; S51-E53 VanDerWaalsContact O-N 3.08Å; S51-E53 PolarHBondContact OG-N 3.21Å; S51-E53 PolarHBondContact OG-OE2 3.36Å |
| 54 | G | 89.4 | Confident | 95.4 | Very high | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 84.1 | 14.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y19 D20 L21 S51 P52 | Y19-G54 CarbonylContact C-O 3.45Å; D20-G54 PolarHBondContact N-O 2.89Å; L21-G54 PolarHBondContact N-O 3.31Å; L21-G54 WeakPolarHBondContact O-CA 3.5Å; S51-G54 PolarHBondContact O-N 3.37Å; P52-G54 VanDerWaalsContact C-N 3.27Å |
| 55 | S | 93.5 | Very high | 95.3 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | trans | -97.5 | 142.6 | -179.2 | 73.1 | 0 | 0 | 0 | 0 | 112.5 | G18 S51 | G18-S55 CarbonylContact O-C 3.5Å; G18-S55 WeakPolarHBondContact O-CA 3.48Å; S51-S55 WeakPolarHBondContact CB-O 3.42Å; S51-S55 WeakPolarHBondContact CB-OG 3.27Å; S51-S55 PolarHBondContact N-O 2.89Å; S51-S55 PolarHBondContact OG-N 3Å; S51-S55 PolarHBondContact OG-O 3.45Å; S51-S55 PolarHBondContact OG-OG 3.06Å | ||
| 56 | A | 96.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E17 G18 L21 I48 V50 Y58 | E17-A56 CarbonylContact C-O 3.58Å; E17-A56 VanDerWaalsContact CA-O 3.25Å; E17-A56 WeakPolarHBondContact CA-O 3.37Å; G18-A56 PolarHBondContact N-O 2.96Å; G18-A56 PolarHBondContact O-N 3.33Å; L21-A56 HydrophobicContact CD1-CB 4.02Å; I48-A56 HydrophobicContact CG2-CB 4.09Å; V50-A56 HydrophobicContact CG2-CB 4.13Å; A56-Y58 HydrophobicContact CB-CD2 4.29Å; A56-Y58 HydrophobicContact CB-CE2 3.69Å |
| 57 | K | 97.4 | Very high | 94.7 | Very high | 136 Ų | 136 | 54.3 Ų | 54.3 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 106.3 | 175.6 | -64 | -169.5 | 177.9 | -161 | 0 | 109.3 | E17 | E17-K57 HydrophobicContact CG-CG 4.27Å; E17-K57 WeakPolarHBondContact OE1-CE 3.3Å; E17-K57 IonicContact OE1-NZ 2.6Å |
| 58 | Y | 97.8 | Very high | 94 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -43.3 | -177.6 | -68.8 | -82.2 | 0 | 0 | 0 | 111.9 | V15 T16 L21 T31 I33 I48 A56 F60 L147 | V15-Y58 HydrophobicContact CG1-CD2 4.42Å; T16-Y58 PolarHBondContact O-N 3.49Å; L21-Y58 HydrophobicContact CD1-CE2 4.06Å; L21-Y58 WeakPolarHBondContact CD1-OH 3.49Å; T31-Y58 WeakPolarHBondContact CB-OH 3.43Å; T31-Y58 PolarHBondContact OG1-OH 3.05Å; I33-Y58 HydrophobicContact CD1-CD1 3.82Å; I33-Y58 HydrophobicContact CD1-CD2 3.55Å; I33-Y58 HydrophobicContact CD1-CE1 3.87Å; I33-Y58 HydrophobicContact CD1-CE2 3.6Å; I33-Y58 HydrophobicContact CD1-CG 3.63Å; I33-Y58 HydrophobicContact CG1-CD1 3.9Å; I33-Y58 HydrophobicContact CG1-CD2 4.42Å; I33-Y58 HydrophobicContact CG1-CE1 3.67Å; I33-Y58 HydrophobicContact CG1-CE2 4.21Å; I33-Y58 HydrophobicContact CG1-CG 4.25Å; I48-Y58 HydrophobicContact CB-CD1 4.27Å; I48-Y58 HydrophobicContact CB-CE1 4.15Å; I48-Y58 HydrophobicContact CG1-CD1 3.72Å; I48-Y58 HydrophobicContact CG1-CE1 4.08Å; I48-Y58 HydrophobicContact CG1-CG 4.47Å; A56-Y58 HydrophobicContact CB-CD2 4.29Å; A56-Y58 HydrophobicContact CB-CE2 3.69Å; Y58-F60 PolarHBondContact O-N 3.31Å; Y58-F60 VanDerWaalsContact O-N 3.09Å; Y58-L147 HydrophobicContact CE2-CD2 4.43Å |
| 59 | N | 97.1 | Very high | 93.2 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 43.6 | 40.6 | -171.8 | -62.8 | -46.7 | 0 | 0 | 0 | 112.4 | V15 T16 | V15-N59 CarbonylContact O-C 3.53Å; V15-N59 WeakPolarHBondContact O-CA 3.47Å; V15-N59 PolarHBondContact O-N 3.25Å; T16-N59 PolarHBondContact O-N 3.49Å |
| 60 | F | 98.2 | Very high | 92.5 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 117.6 | -174 | 167.2 | -122.6 | 0 | 0 | 0 | 109.4 | T14 V15 I33 A35 G43 D44 S45 Y58 | T14-F60 CarbonylContact C-O 3.33Å; T14-F60 VanDerWaalsContact CA-O 3.26Å; T14-F60 WeakPolarHBondContact CA-O 3.3Å; V15-F60 PolarHBondContact N-O 3.05Å; V15-F60 PolarHBondContact O-N 2.92Å; I33-F60 HydrophobicContact CB-CD1 4.41Å; I33-F60 HydrophobicContact CG2-CD1 4.38Å; A35-F60 HydrophobicContact CB-CE1 3.86Å; A35-F60 HydrophobicContact CB-CZ 4.34Å; G43-F60 WeakPolarHBondContact O-CZ 3.18Å; D44-F60 WeakPolarHBondContact O-CE2 3.02Å; S45-F60 VanDerWaalsContact CB-CG 3.44Å; Y58-F60 PolarHBondContact O-N 3.31Å; Y58-F60 VanDerWaalsContact O-N 3.09Å |
| 61 | T | 98.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.6 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 110.2 | Q12 I13 T14 | Q12-T61 HydrophobicContact CB-CG2 4.26Å; I13-T61 CarbonylContact O-C 3.46Å; I13-T61 WeakPolarHBondContact O-CA 3.3Å; T14-T61 WeakPolarHBondContact CG2-OG1 3.48Å; T14-T61 WeakPolarHBondContact OG1-CG2 3.36Å; T14-T61 PolarHBondContact OG1-OG1 3.17Å |
| 62 | S | 97.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 162.4 | 168 | 64.3 | 0 | 0 | 0 | 0 | 109.1 | I13 A35 | I13-S62 PolarHBondContact N-O 3.06Å; I13-S62 PolarHBondContact O-N 3.48Å; A35-S62 WeakPolarHBondContact CB-OG 3.49Å |
| 63 | S | 97.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 156.1 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | V11 | V11-S63 WeakPolarHBondContact O-CA 3.49Å; V11-S63 WeakPolarHBondContact O-CB 3.47Å |
| 64 | F | 95.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 163.7 | 167.3 | 63.2 | -101.8 | 0 | 0 | 0 | 110.2 | V11 I13 F37 L42 I72 L77 V82 L111 | V11-F64 HydrophobicContact CB-CD2 4.16Å; V11-F64 HydrophobicContact CB-CE1 4.21Å; V11-F64 HydrophobicContact CB-CE2 3.72Å; V11-F64 HydrophobicContact CB-CZ 3.75Å; V11-F64 HydrophobicContact CG1-CE1 4.16Å; V11-F64 HydrophobicContact CG1-CE2 4.29Å; V11-F64 HydrophobicContact CG1-CZ 3.81Å; V11-F64 HydrophobicContact CG2-CD2 4.24Å; V11-F64 HydrophobicContact CG2-CE2 3.59Å; V11-F64 HydrophobicContact CG2-CZ 3.96Å; V11-F64 PolarHBondContact N-O 3.45Å; V11-F64 PolarHBondContact O-N 3.42Å; V11-F64 VanDerWaalsContact O-N 3.11Å; I13-F64 HydrophobicContact CD1-CD1 3.97Å; I13-F64 HydrophobicContact CD1-CE1 3.68Å; F37-F64 HydrophobicContact CB-CD1 4.27Å; F37-F64 HydrophobicContact CB-CE1 4.35Å; F37-F64 AromaticContact CD1-CD1 3.96Å; F37-F64 HydrophobicContact CD1-CD1 3.96Å; F37-F64 AromaticContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE1 3.91Å; F37-F64 HydrophobicContact CD1-CE2 4.49Å; F37-F64 HydrophobicContact CD1-CG 4.26Å; F37-F64 HydrophobicContact CD1-CZ 4.19Å; F37-F64 HydrophobicContact CD2-CE1 4.2Å; F37-F64 HydrophobicContact CE1-CE1 4.26Å; F37-F64 HydrophobicContact CE1-CE2 4.22Å; F37-F64 HydrophobicContact CE1-CZ 4.08Å; F37-F64 HydrophobicContact CE2-CE1 4.5Å; F37-F64 HydrophobicContact CE2-CZ 4.44Å; F37-F64 HydrophobicContact CG-CD1 4.12Å; F37-F64 AromaticContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CE1 3.88Å; F37-F64 HydrophobicContact CG-CZ 4.45Å; F37-F64 HydrophobicContact CZ-CZ 4.2Å; L42-F64 HydrophobicContact CD1-CD1 3.98Å; L42-F64 HydrophobicContact CD2-CB 4.05Å; L42-F64 HydrophobicContact CD2-CD1 4.48Å; F64-I72 HydrophobicContact CB-CD1 3.75Å; F64-I72 HydrophobicContact CD2-CB 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.42Å; F64-I72 VanDerWaalsContact CD2-CD1 3.42Å; F64-I72 HydrophobicContact CD2-CG1 4.5Å; F64-I72 HydrophobicContact CD2-CG2 4.04Å; F64-I72 HydrophobicContact CE2-CD1 4.2Å; F64-I72 HydrophobicContact CE2-CG2 3.78Å; F64-I72 HydrophobicContact CG-CD1 3.74Å; F64-L77 HydrophobicContact CE2-CD2 3.82Å; F64-L77 HydrophobicContact CZ-CD2 3.61Å; F64-V82 HydrophobicContact CE1-CG2 4.35Å; F64-L111 HydrophobicContact CE1-CD1 3.97Å; F64-L111 HydrophobicContact CZ-CD1 3.61Å |
| 65 | E | 95.1 | Very high | 91.6 | Very high | 117 Ų | 117 | 55 Ų | 55 | 55% | 0.547 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.3 | -178.5 | -169.9 | 173.3 | -178.7 | 0 | 0 | 110.4 | G8 | G8-E65 WeakPolarHBondContact CA-OE1 3.4Å; G8-E65 PolarHBondContact N-OE1 2.94Å |
| 66 | F | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.3 | 171 | 171.9 | -92 | 0 | 0 | 0 | 109.8 | G8 R9 V11 P68 I72 T73 L77 L157 | G8-F66 CarbonylContact C-O 3.28Å; G8-F66 VanDerWaalsContact CA-O 3.24Å; G8-F66 WeakPolarHBondContact CA-O 3.29Å; R9-F66 PolarHBondContact N-O 3.32Å; R9-F66 VanDerWaalsContact NH2-CE1 3.27Å; R9-F66 WeakPolarHBondContact O-CB 3.42Å; R9-F66 PolarHBondContact O-N 3.46Å; V11-F66 HydrophobicContact CG2-CB 3.98Å; F66-P68 HydrophobicContact CE1-CB 4.25Å; F66-P68 HydrophobicContact CE1-CG 4.31Å; F66-P68 HydrophobicContact CZ-CB 4.35Å; F66-I72 WeakPolarHBondContact CD2-O 3.48Å; F66-T73 VanDerWaalsContact CE2-C 3.44Å; F66-L77 HydrophobicContact CD2-CD1 3.42Å; F66-L77 VanDerWaalsContact CD2-CD1 3.42Å; F66-L77 HydrophobicContact CD2-CG 4.08Å; F66-L77 HydrophobicContact CE2-CD1 3.58Å; F66-L77 HydrophobicContact CE2-CG 4.29Å; F66-L77 HydrophobicContact CG-CD1 4.39Å; F66-L157 HydrophobicContact CB-CD2 4.33Å; F66-L157 HydrophobicContact CD1-CD2 3.82Å; F66-L157 HydrophobicContact CD2-CD1 4.21Å; F66-L157 HydrophobicContact CE1-CB 4.49Å; F66-L157 HydrophobicContact CE1-CD2 4.38Å; F66-L157 HydrophobicContact CE2-CD1 4.46Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CG-CD2 4.07Å |
| 67 | N | 90.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | trans | -142.2 | 118.6 | 174.2 | 175.8 | -2.3 | 0 | 0 | 0 | 110.3 | E69 G70 I72 | N67-E69 PolarHBondContact O-N 2.98Å; N67-E69 PolarHBondContact OD1-N 3.1Å; N67-G70 WeakPolarHBondContact CB-O 3.46Å; N67-G70 PolarHBondContact O-N 3.25Å; N67-G70 VanDerWaalsContact O-O 3.12Å; N67-I72 PolarHBondContact N-O 3.03Å | ||
| 68 | P | 80.7 | Confident | 90.1 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.1 | -177.2 | 28.2 | -33.2 | 0 | 0 | 0 | 113.5 | F66 | F66-P68 HydrophobicContact CE1-CB 4.25Å; F66-P68 HydrophobicContact CE1-CG 4.31Å; F66-P68 HydrophobicContact CZ-CB 4.35Å |
| 69 | E | 81.3 | Confident | 89 | Confident | 133 Ų | 133 | 52.4 Ų | 52.4 | 62% | 0.621 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5 | -177.6 | -63.2 | 178.7 | -178 | 0 | 0 | 113 | N67 | N67-E69 PolarHBondContact O-N 2.98Å; N67-E69 PolarHBondContact OD1-N 3.1Å |
| 70 | G | 78.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 162.1 | 160.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N67 | N67-G70 WeakPolarHBondContact CB-O 3.46Å; N67-G70 PolarHBondContact O-N 3.25Å; N67-G70 VanDerWaalsContact O-O 3.12Å |
| 71 | G | 86.7 | Confident | 87.6 | Confident | 71 Ų | 71 | 51.2 Ų | 51.2 | 73% | 0.732 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 88.3 | -123.1 | -173 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 72 | I | 89 | Confident | 87.2 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 14% | 0.144 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -90.2 | 111.2 | 176.3 | -64.1 | 167.7 | 0 | 0 | 0 | 108.7 | F37 F64 F66 N67 D76 L77 | F37-I72 HydrophobicContact CD1-CD1 3.89Å; F37-I72 HydrophobicContact CE1-CB 4.45Å; F37-I72 HydrophobicContact CE1-CD1 3.8Å; F37-I72 HydrophobicContact CE1-CG1 4.04Å; F37-I72 HydrophobicContact CE1-CG2 3.57Å; F37-I72 HydrophobicContact CZ-CG2 4.09Å; F64-I72 HydrophobicContact CB-CD1 3.75Å; F64-I72 HydrophobicContact CD2-CB 4.43Å; F64-I72 HydrophobicContact CD2-CD1 3.42Å; F64-I72 VanDerWaalsContact CD2-CD1 3.42Å; F64-I72 HydrophobicContact CD2-CG1 4.5Å; F64-I72 HydrophobicContact CD2-CG2 4.04Å; F64-I72 HydrophobicContact CE2-CD1 4.2Å; F64-I72 HydrophobicContact CE2-CG2 3.78Å; F64-I72 HydrophobicContact CG-CD1 3.74Å; F66-I72 WeakPolarHBondContact CD2-O 3.48Å; N67-I72 PolarHBondContact N-O 3.03Å; I72-D76 WeakPolarHBondContact CA-OD2 3.45Å; I72-D76 HydrophobicContact CG2-CB 4.01Å; I72-L77 HydrophobicContact CG2-CD2 4.33Å |
| 73 | T | 89.3 | Confident | 87 | Confident | 34 Ų | 34 | 51 Ų | 51 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | trans | -101.3 | -178.5 | -175.1 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | F66 D75 D76 L77 | F66-T73 VanDerWaalsContact CE2-C 3.44Å; T73-D75 PolarHBondContact O-N 3.32Å; T73-D75 PolarHBondContact OG1-N 3.1Å; T73-D76 PolarHBondContact N-OD2 3.33Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 PolarHBondContact OG1-OD2 3.12Å; T73-L77 PolarHBondContact O-N 3.15Å | ||
| 74 | S | 86.9 | Confident | 87 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -32 | 174.3 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | L77 A78 | S74-L77 PolarHBondContact O-N 3.08Å; S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.36Å |
| 75 | D | 82.8 | Confident | 86.9 | Confident | 109 Ų | 109 | 48.8 Ų | 48.8 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -71.6 | -37.2 | -177.8 | -62.3 | -6.1 | 0 | 0 | 0 | 110.8 | T73 L77 A78 H79 | T73-D75 PolarHBondContact O-N 3.32Å; T73-D75 PolarHBondContact OG1-N 3.1Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-A78 PolarHBondContact O-N 3.13Å; D75-H79 PolarHBondContact O-N 3.25Å; D75-H79 VanDerWaalsContact O-N 3.14Å |
| 76 | D | 85.2 | Confident | 86.9 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 172.8 | -66.4 | -61.5 | 0 | 0 | 0 | 111 | F37 I72 T73 A78 H79 K80 | F37-D76 HydrophobicContact CZ-CB 4.2Å; I72-D76 WeakPolarHBondContact CA-OD2 3.45Å; I72-D76 HydrophobicContact CG2-CB 4.01Å; T73-D76 PolarHBondContact N-OD2 3.33Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 PolarHBondContact OG1-OD2 3.12Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 2.96Å; D76-H79 PolarHBondContact O-N 3.22Å; D76-K80 HydrophobicContact CB-CD 4.37Å; D76-K80 WeakPolarHBondContact O-CA 3.46Å; D76-K80 VanDerWaalsContact O-CB 3.23Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 3.05Å; D76-K80 WeakPolarHBondContact OD1-CE 3.48Å; D76-K80 IonicContact OD1-NZ 2.77Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å |
| 77 | L | 88.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.2 | -33.7 | 177.1 | -64 | -175.8 | 0 | 0 | 0 | 113 | F37 F64 F66 I72 T73 S74 D75 L111 L115 L157 | F37-L77 HydrophobicContact CZ-CD2 4.06Å; F64-L77 HydrophobicContact CE2-CD2 3.82Å; F64-L77 HydrophobicContact CZ-CD2 3.61Å; F66-L77 HydrophobicContact CD2-CD1 3.42Å; F66-L77 VanDerWaalsContact CD2-CD1 3.42Å; F66-L77 HydrophobicContact CD2-CG 4.08Å; F66-L77 HydrophobicContact CE2-CD1 3.58Å; F66-L77 HydrophobicContact CE2-CG 4.29Å; F66-L77 HydrophobicContact CG-CD1 4.39Å; I72-L77 HydrophobicContact CG2-CD2 4.33Å; T73-L77 PolarHBondContact O-N 3.15Å; S74-L77 PolarHBondContact O-N 3.08Å; D75-L77 VanDerWaalsContact C-N 3.34Å; L77-L111 HydrophobicContact CD2-CB 4.3Å; L77-L111 HydrophobicContact CD2-CD1 3.47Å; L77-L111 VanDerWaalsContact CD2-CD1 3.47Å; L77-L115 HydrophobicContact CB-CD1 4.06Å; L77-L115 HydrophobicContact CB-CD2 4.22Å; L77-L115 HydrophobicContact CB-CG 4.28Å; L77-L115 HydrophobicContact CD1-CD2 4.04Å; L77-L157 HydrophobicContact CD1-CD1 3.29Å |
| 78 | A | 83.6 | Confident | 87 | Confident | 33 Ų | 33 | 41.9 Ų | 41.9 | 27% | 0.273 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -75.1 | -26.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S74 D75 D76 L115 | S74-A78 WeakPolarHBondContact O-CB 3.35Å; S74-A78 PolarHBondContact O-N 3.36Å; D75-A78 PolarHBondContact O-N 3.13Å; D76-A78 VanDerWaalsContact C-N 3.33Å; D76-A78 PolarHBondContact O-N 2.96Å; A78-L115 HydrophobicContact CB-CD1 3.7Å |
| 79 | H | 74.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 39.5 Ų | 39.5 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -124.4 | -13.3 | -169.6 | -62.7 | -27 | 0 | 0 | 0 | 114.8 | D75 D76 | D75-H79 PolarHBondContact O-N 3.25Å; D75-H79 VanDerWaalsContact O-N 3.14Å; D76-H79 PolarHBondContact O-N 3.22Å |
| 80 | K | 80.9 | Confident | 87.9 | Confident | 75 Ų | 75 | 34.9 Ų | 34.9 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | trans | -114.1 | 121.5 | -179.3 | -58.4 | 176.5 | -178.6 | 166.7 | 0 | 110.2 | F37 N38 D76 | F37-K80 HydrophobicContact CE2-CB 4.06Å; F37-K80 WeakPolarHBondContact CE2-O 3.4Å; F37-K80 HydrophobicContact CZ-CB 4.36Å; N38-K80 HydrophobicContact CB-CD 4.14Å; N38-K80 VanDerWaalsContact OD1-CD 3.29Å; N38-K80 WeakPolarHBondContact OD1-CD 3.48Å; N38-K80 WeakPolarHBondContact OD1-CE 3.28Å; N38-K80 PolarHBondContact OD1-NZ 3.09Å; D76-K80 HydrophobicContact CB-CD 4.37Å; D76-K80 WeakPolarHBondContact O-CA 3.46Å; D76-K80 VanDerWaalsContact O-CB 3.23Å; D76-K80 WeakPolarHBondContact O-CB 3.4Å; D76-K80 PolarHBondContact O-N 3.05Å; D76-K80 WeakPolarHBondContact OD1-CE 3.48Å; D76-K80 IonicContact OD1-NZ 2.77Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å | ||
| 81 | P | 83.8 | Confident | 88.1 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 26% | 0.26 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -74.6 | 159.1 | 172.7 | 27.7 | -31.1 | 0 | 0 | 0 | 112 | F83 V108 | P81-F83 HydrophobicContact CG-CD2 4.47Å; P81-F83 HydrophobicContact CG-CE1 4.19Å; P81-F83 HydrophobicContact CG-CE2 3.76Å; P81-F83 HydrophobicContact CG-CZ 3.61Å; P81-V108 HydrophobicContact CB-CB 4.43Å; P81-V108 HydrophobicContact CB-CG1 3.35Å; P81-V108 HydrophobicContact CB-CG2 4.47Å; P81-V108 HydrophobicContact CG-CG1 4.18Å |
| 82 | V | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 129.4 | 159.9 | 177.8 | 0 | 0 | 0 | 0 | 108.2 | I13 F37 F64 L84 V108 V109 L111 | I13-V82 HydrophobicContact CD1-CG1 4.28Å; I13-V82 HydrophobicContact CD1-CG2 3.9Å; I13-V82 HydrophobicContact CG1-CG2 4.41Å; F37-V82 HydrophobicContact CB-CG2 4.33Å; F37-V82 HydrophobicContact CD2-CG2 3.64Å; F37-V82 HydrophobicContact CE2-CG2 4.38Å; F37-V82 HydrophobicContact CG-CG2 4.31Å; F64-V82 HydrophobicContact CE1-CG2 4.35Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; V82-V108 WeakPolarHBondContact O-CA 3.5Å; V82-V109 HydrophobicContact CB-CB 4.16Å; V82-V109 PolarHBondContact N-O 3.05Å; V82-V109 VanDerWaalsContact N-O 3.1Å; V82-V109 PolarHBondContact O-N 2.95Å; V82-L111 HydrophobicContact CG2-CD1 3.68Å; V82-L111 HydrophobicContact CG2-CD2 4.12Å; V82-L111 HydrophobicContact CG2-CG 4Å |
| 83 | F | 92.8 | Very high | 87 | Confident | 70 Ų | 70 | 45.6 Ų | 45.6 | 31% | 0.307 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.9 | 175.7 | -70 | -76.4 | 0 | 0 | 0 | 110.7 | A35 E36 P81 Q106 V108 | A35-F83 WeakPolarHBondContact CA-O 3.46Å; E36-F83 HydrophobicContact CB-CB 4.4Å; E36-F83 PolarHBondContact N-O 3.04Å; E36-F83 PolarHBondContact O-N 2.78Å; P81-F83 HydrophobicContact CG-CD2 4.47Å; P81-F83 HydrophobicContact CG-CE1 4.19Å; P81-F83 HydrophobicContact CG-CE2 3.76Å; P81-F83 HydrophobicContact CG-CZ 3.61Å; F83-Q106 HydrophobicContact CB-CG 4.43Å; F83-Q106 VanDerWaalsContact CD1-CD 3.45Å; F83-Q106 HydrophobicContact CD1-CG 3.97Å; F83-V108 HydrophobicContact CD1-CG2 3.74Å; F83-V108 HydrophobicContact CE1-CG2 3.65Å |
| 84 | L | 95.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 107.1 | 173.8 | -60.7 | 176.7 | 0 | 0 | 0 | 108.7 | V15 I33 R34 A35 V82 Q106 A107 V109 L147 V149 | V15-L84 HydrophobicContact CG2-CD1 3.64Å; V15-L84 HydrophobicContact CG2-CD2 3.95Å; V15-L84 HydrophobicContact CG2-CG 4.42Å; I33-L84 HydrophobicContact CG2-CB 4.19Å; I33-L84 HydrophobicContact CG2-CD2 4.17Å; R34-L84 WeakPolarHBondContact O-CA 3.46Å; A35-L84 HydrophobicContact CB-CD2 3.82Å; V82-L84 HydrophobicContact CG1-CD2 4.33Å; L84-Q106 CarbonylContact O-C 3.43Å; L84-Q106 WeakPolarHBondContact O-CA 3.39Å; L84-A107 HydrophobicContact CB-CB 4.35Å; L84-A107 PolarHBondContact N-O 3.42Å; L84-A107 PolarHBondContact O-N 3.16Å; L84-V109 HydrophobicContact CD1-CG2 3.6Å; L84-V109 HydrophobicContact CG-CG2 4.13Å; L84-L147 HydrophobicContact CB-CD1 3.95Å; L84-L147 HydrophobicContact CD1-CD1 4.04Å; L84-V149 HydrophobicContact CD1-CG2 3.58Å |
| 85 | T | 93.9 | Very high | 84.9 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 116.9 | -178.5 | -57.3 | 0 | 0 | 0 | 0 | 109.7 | I33 R34 I103 Q106 | I33-T85 WeakPolarHBondContact CA-O 3.5Å; R34-T85 PolarHBondContact N-O 3.44Å; R34-T85 PolarHBondContact O-N 3.39Å; T85-I103 HydrophobicContact CG2-CD1 4.38Å; T85-I103 HydrophobicContact CG2-CG1 4.36Å; T85-I103 HydrophobicContact CG2-CG2 3.67Å; T85-Q106 PolarHBondContact OG1-NE2 3.28Å |
| 86 | V | 95.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.5 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 109 | L21 T31 I33 L104 G105 L127 L147 | L21-V86 HydrophobicContact CD2-CG1 4.39Å; T31-V86 HydrophobicContact CG2-CG1 4.45Å; I33-V86 HydrophobicContact CG1-CG2 4.23Å; V86-L104 HydrophobicContact CG1-CB 4.43Å; V86-L104 HydrophobicContact CG1-CD1 4.19Å; V86-L104 PolarHBondContact O-N 2.94Å; V86-G105 PolarHBondContact N-O 3.21Å; V86-G105 PolarHBondContact O-N 3.28Å; V86-L127 HydrophobicContact CB-CD1 4.08Å; V86-L127 HydrophobicContact CB-CD2 4.11Å; V86-L127 HydrophobicContact CG2-CD1 3.47Å; V86-L127 VanDerWaalsContact CG2-CD1 3.47Å; V86-L127 HydrophobicContact CG2-CD2 3.98Å; V86-L127 HydrophobicContact CG2-CG 4.4Å; V86-L147 HydrophobicContact CG2-CD1 3.9Å; V86-L147 HydrophobicContact CG2-CD2 4.1Å; V86-L147 HydrophobicContact CG2-CG 4.41Å |
| 87 | T | 93.6 | Very high | 83.4 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126 | -176.1 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | T31 F32 T101 L102 | T31-T87 CarbonylContact C-O 3.58Å; T31-T87 WeakPolarHBondContact CA-O 3.37Å; F32-T87 HydrophobicContact CD1-CG2 4.43Å; F32-T87 HydrophobicContact CE1-CG2 3.55Å; F32-T87 HydrophobicContact CZ-CG2 3.72Å; F32-T87 PolarHBondContact N-O 3.29Å; F32-T87 PolarHBondContact O-N 3.04Å; T87-T101 HydrophobicContact CG2-CG2 4.15Å; T87-L102 CarbonylContact C-O 3.53Å; T87-L102 WeakPolarHBondContact CA-O 3.37Å |
| 88 | E | 93.2 | Very high | 82.8 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.019 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 138 | 169.2 | -178.2 | 179.7 | -176 | 0 | 0 | 110.5 | G23 F24 P29 V30 L90 T101 L102 L104 | G23-E88 WeakPolarHBondContact CA-OE2 3.15Å; F24-E88 WeakPolarHBondContact CB-OE2 3.21Å; F24-E88 PolarHBondContact N-OE1 2.96Å; F24-E88 PolarHBondContact N-OE2 2.94Å; P29-E88 HydrophobicContact CB-CG 3.94Å; V30-E88 CarbonylContact O-C 3.54Å; V30-E88 WeakPolarHBondContact O-CA 3.3Å; E88-L90 HydrophobicContact CG-CD2 4.19Å; E88-T101 CarbonylContact O-C 3.54Å; E88-T101 WeakPolarHBondContact O-CA 3.45Å; E88-L102 PolarHBondContact N-O 3.39Å; E88-L102 PolarHBondContact O-N 2.89Å; E88-L104 HydrophobicContact CB-CD1 4.09Å; E88-L104 HydrophobicContact CB-CD2 3.95Å; E88-L104 HydrophobicContact CB-CG 3.92Å |
| 89 | V | 92.5 | Very high | 82.6 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.4 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | V30 F32 K47 E99 | V30-V89 HydrophobicContact CB-CB 4.32Å; V30-V89 HydrophobicContact CG1-CB 4.27Å; V30-V89 HydrophobicContact CG1-CG2 4.47Å; V30-V89 PolarHBondContact O-N 3.47Å; F32-V89 HydrophobicContact CD1-CG2 3.7Å; F32-V89 HydrophobicContact CE1-CG2 3.91Å; K47-V89 HydrophobicContact CD-CG2 4.01Å; K47-V89 HydrophobicContact CG-CG2 4.22Å; V89-E99 HydrophobicContact CG1-CG 3.58Å; V89-E99 WeakPolarHBondContact CG1-OE1 3.32Å |
| 90 | L | 88.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 144.1 | -177.9 | -59.8 | 178.8 | 0 | 0 | 0 | 110.8 | E88 K92 K100 L102 | E88-L90 HydrophobicContact CG-CD2 4.19Å; L90-K92 PolarHBondContact O-N 2.77Å; L90-K100 HydrophobicContact CB-CB 4.22Å; L90-K100 WeakPolarHBondContact CB-O 3.46Å; L90-K100 HydrophobicContact CD1-CB 4.08Å; L90-K100 PolarHBondContact N-O 2.95Å; L90-L102 HydrophobicContact CD1-CB 4.49Å |
| 91 | P | 81.6 | Confident | 83.7 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 132.6 | 176.6 | -24.5 | 32.9 | 0 | 0 | 0 | 112.1 | E93 | P91-E93 PolarHBondContact O-N 3Š|
| 92 | K | 76.9 | Confident | 84 | Confident | 133 Ų | 133 | 79.8 Ų | 79.8 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 122.4 | 177.2 | -72.2 | -173.1 | 178.1 | -176.9 | 0 | 110.9 | L90 E99 | L90-K92 PolarHBondContact O-N 2.77Å; K92-E99 HydrophobicContact CG-CG 4.38Å |
| 93 | E | 75.6 | Confident | 83.8 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 57% | 0.565 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 146.7 | 169.1 | -68.2 | 177.6 | 170.4 | 0 | 0 | 110.6 | P91 K95 Q96 | P91-E93 PolarHBondContact O-N 3Å; E93-K95 PolarHBondContact O-N 3.37Å; E93-Q96 PolarHBondContact O-N 3.14Å; E93-Q96 PolarHBondContact OE2-NE2 2.99Å |
| 94 | K | 66.3 | Low | 83.6 | Confident | 225 Ų | 225 | 80.1 Ų | 80.1 | 98% | 0.978 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -6.7 | -173.6 | -70.5 | -176.5 | 176.8 | 179.6 | 0 | 116.5 | ||
| 95 | K | 67.4 | Low | 83.1 | Confident | 209 Ų | 209 | 80.1 Ų | 80.1 | 91% | 0.909 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | -2.9 | -179.1 | -72 | -173.2 | 176.6 | -178.6 | 0 | 115.1 | E93 | E93-K95 PolarHBondContact O-N 3.37Š|
| 96 | Q | 69.6 | Low | 82.9 | Confident | 50 Ų | 50 | 82 Ų | 82 | 23% | 0.234 | 39% | 0.39 | C | S | . | . | trans | -95.5 | 131.6 | -176.2 | -73.3 | 174.3 | 25 | 0 | 0 | 111.8 | E93 K100 | E93-Q96 PolarHBondContact O-N 3.14Å; E93-Q96 PolarHBondContact OE2-NE2 2.99Å; Q96-K100 VanDerWaalsContact CD-CE 3.49Å; Q96-K100 VanDerWaalsContact OE1-CD 3.22Å; Q96-K100 VanDerWaalsContact OE1-CE 3.25Å | ||
| 97 | K | 66.5 | Low | 82.6 | Confident | 208 Ų | 208 | 82 Ų | 82 | 90% | 0.904 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -77.7 | -33.4 | 174.2 | -81.4 | -175.5 | 173.7 | -178.5 | 0 | 112.4 | ||
| 98 | E | 74.3 | Confident | 82.5 | Confident | 162 Ų | 162 | 84.7 Ų | 84.7 | 76% | 0.757 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -108.2 | 150.1 | -177.3 | -70.7 | 177.6 | -179 | 0 | 0 | 111.5 | ||
| 99 | E | 80.1 | Confident | 82.4 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | trans | -81 | 122.5 | 177.1 | -164.1 | 173.5 | -147.9 | 0 | 0 | 108.9 | K47 V89 K92 | K47-E99 IonicContact NZ-OE1 3.52Å; K47-E99 PolarHBondContact NZ-OE1 3.41Å; K47-E99 IonicContact NZ-OE2 2.89Å; K47-E99 PolarHBondContact NZ-OE2 3.25Å; V89-E99 HydrophobicContact CG1-CG 3.58Å; V89-E99 WeakPolarHBondContact CG1-OE1 3.32Å; K92-E99 HydrophobicContact CG-CG 4.38Å | ||
| 100 | K | 88.3 | Confident | 82.3 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 50% | 0.5 | 42% | 0.42 | S | S | . | . | trans | -79.3 | 137.6 | 176.6 | -75 | -179.3 | 175 | 173.9 | 0 | 109.8 | L90 Q96 | L90-K100 HydrophobicContact CB-CB 4.22Å; L90-K100 WeakPolarHBondContact CB-O 3.46Å; L90-K100 HydrophobicContact CD1-CB 4.08Å; L90-K100 PolarHBondContact N-O 2.95Å; Q96-K100 VanDerWaalsContact CD-CE 3.49Å; Q96-K100 VanDerWaalsContact OE1-CD 3.22Å; Q96-K100 VanDerWaalsContact OE1-CE 3.25Å | ||
| 101 | T | 90.5 | Very high | 82.5 | Confident | 80 Ų | 80 | 85.8 Ų | 85.8 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.9 | 176.5 | 55.9 | 0 | 0 | 0 | 0 | 110.6 | F32 T87 E88 | F32-T101 HydrophobicContact CE1-CG2 4.25Å; T87-T101 HydrophobicContact CG2-CG2 4.15Å; E88-T101 CarbonylContact O-C 3.54Å; E88-T101 WeakPolarHBondContact O-CA 3.45Å |
| 102 | L | 89.6 | Confident | 82.8 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 129.2 | 177.3 | -174 | 70.5 | 0 | 0 | 0 | 109.7 | F24 T87 E88 L90 L104 P134 | F24-L102 HydrophobicContact CB-CD2 3.56Å; F24-L102 HydrophobicContact CD1-CD2 4.27Å; F24-L102 HydrophobicContact CD2-CD2 4.19Å; F24-L102 HydrophobicContact CG-CD2 3.77Å; T87-L102 CarbonylContact C-O 3.53Å; T87-L102 WeakPolarHBondContact CA-O 3.37Å; E88-L102 PolarHBondContact N-O 3.39Å; E88-L102 PolarHBondContact O-N 2.89Å; L90-L102 HydrophobicContact CD1-CB 4.49Å; L102-L104 PolarHBondContact O-N 2.96Å; L102-P134 HydrophobicContact CD2-CG 3.46Å; L102-P134 VanDerWaalsContact CD2-CG 3.46Å; L102-P134 HydrophobicContact CG-CG 4.44Å |
| 103 | I | 88.3 | Confident | 83.5 | Confident | 76 Ų | 76 | 76.4 Ų | 76.4 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.1 | 177.8 | -58 | 174.1 | 0 | 0 | 0 | 108.5 | T85 V130 | T85-I103 HydrophobicContact CG2-CD1 4.38Å; T85-I103 HydrophobicContact CG2-CG1 4.36Å; T85-I103 HydrophobicContact CG2-CG2 3.67Å; I103-V130 HydrophobicContact CB-CG2 3.95Å; I103-V130 HydrophobicContact CG2-CG2 3.48Å; I103-V130 VanDerWaalsContact CG2-CG2 3.48Å |
| 104 | L | 87.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -41 | 176.1 | -64 | -176.4 | 0 | 0 | 0 | 110.6 | T31 V86 E88 L102 S133 P134 L135 | T31-L104 HydrophobicContact CG2-CD1 3.83Å; V86-L104 HydrophobicContact CG1-CB 4.43Å; V86-L104 HydrophobicContact CG1-CD1 4.19Å; V86-L104 PolarHBondContact O-N 2.94Å; E88-L104 HydrophobicContact CB-CD1 4.09Å; E88-L104 HydrophobicContact CB-CD2 3.95Å; E88-L104 HydrophobicContact CB-CG 3.92Å; L102-L104 PolarHBondContact O-N 2.96Å; L104-S133 WeakPolarHBondContact O-CB 3.37Å; L104-S133 PolarHBondContact O-OG 2.67Å; L104-P134 HydrophobicContact CD2-CG 4.26Å; L104-L135 HydrophobicContact CB-CD1 4.38Å; L104-L135 VanDerWaalsContact O-CD1 3.3Å; L104-L135 WeakPolarHBondContact O-CD1 3.47Å |
| 105 | G | 86.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -178.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V86 L127 H128 | V86-G105 PolarHBondContact N-O 3.21Å; V86-G105 PolarHBondContact O-N 3.28Å; G105-L127 VanDerWaalsContact C-CD1 3.47Å; G105-H128 CarbonylContact C-O 3.5Å; G105-H128 WeakPolarHBondContact CA-O 3.27Å |
| 106 | Q | 89.6 | Confident | 86.5 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.1 | -178.8 | -163.2 | 173.6 | 31.5 | 0 | 0 | 110 | F83 L84 T85 H128 V130 | F83-Q106 HydrophobicContact CB-CG 4.43Å; F83-Q106 VanDerWaalsContact CD1-CD 3.45Å; F83-Q106 HydrophobicContact CD1-CG 3.97Å; L84-Q106 CarbonylContact O-C 3.43Å; L84-Q106 WeakPolarHBondContact O-CA 3.39Å; T85-Q106 PolarHBondContact OG1-NE2 3.28Å; Q106-H128 PolarHBondContact N-O 3.25Å; Q106-H128 PolarHBondContact O-N 3.4Å; Q106-V130 HydrophobicContact CB-CG1 3.97Å |
| 107 | A | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | L84 V125 P126 L127 L147 | L84-A107 HydrophobicContact CB-CB 4.35Å; L84-A107 PolarHBondContact N-O 3.42Å; L84-A107 PolarHBondContact O-N 3.16Å; A107-V125 HydrophobicContact CB-CB 4.27Å; A107-V125 HydrophobicContact CB-CG2 3.66Å; A107-P126 WeakPolarHBondContact CB-O 3.41Å; A107-L127 HydrophobicContact CB-CD1 4.15Å; A107-L147 HydrophobicContact CB-CD1 4.02Å |
| 108 | V | 90 | Very high | 88.6 | Confident | 66 Ų | 66 | 48 Ų | 48 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | -178.3 | 162.9 | 0 | 0 | 0 | 0 | 108.9 | P81 V82 F83 V125 | P81-V108 HydrophobicContact CB-CB 4.43Å; P81-V108 HydrophobicContact CB-CG1 3.35Å; P81-V108 HydrophobicContact CB-CG2 4.47Å; P81-V108 HydrophobicContact CG-CG1 4.18Å; V82-V108 WeakPolarHBondContact O-CA 3.5Å; F83-V108 HydrophobicContact CD1-CG2 3.74Å; F83-V108 HydrophobicContact CE1-CG2 3.65Å; V108-V125 VanDerWaalsContact O-CG1 3.25Å; V108-V125 WeakPolarHBondContact O-CG1 3.49Å |
| 109 | V | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.5 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | V82 L84 F121 V125 V149 V151 | V82-V109 HydrophobicContact CB-CB 4.16Å; V82-V109 PolarHBondContact N-O 3.05Å; V82-V109 VanDerWaalsContact N-O 3.1Å; V82-V109 PolarHBondContact O-N 2.95Å; L84-V109 HydrophobicContact CD1-CG2 3.6Å; L84-V109 HydrophobicContact CG-CG2 4.13Å; V109-F121 HydrophobicContact CG1-CE2 4.43Å; V109-V125 HydrophobicContact CG2-CG1 4.35Å; V109-V125 HydrophobicContact CG2-CG2 4.4Å; V109-V149 HydrophobicContact CG1-CG1 4.2Å; V109-V149 HydrophobicContact CG2-CB 4.32Å; V109-V149 HydrophobicContact CG2-CG1 3.98Å; V109-V149 HydrophobicContact CG2-CG2 4.06Å; V109-V151 HydrophobicContact CG1-CG2 3.96Å |
| 110 | D | 89.1 | Confident | 90.4 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | trans | -83.1 | 126.7 | 176.3 | -172.8 | -1.3 | 0 | 0 | 0 | 110 | L112 F121 K170 | D110-L112 WeakPolarHBondContact OD1-CB 3.36Å; D110-L112 PolarHBondContact OD1-N 3.22Å; D110-F121 WeakPolarHBondContact O-CZ 3.35Å; D110-K170 IonicContact OD2-NZ 3.6Å | ||
| 111 | L | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -96.4 | 0.7 | -179.8 | -60.3 | -174.9 | 0 | 0 | 0 | 113.1 | F37 F64 L77 V82 P113 L114 F121 V151 | F37-L111 HydrophobicContact CD2-CD1 4.43Å; F37-L111 HydrophobicContact CE2-CD1 4Å; F64-L111 HydrophobicContact CE1-CD1 3.97Å; F64-L111 HydrophobicContact CZ-CD1 3.61Å; L77-L111 HydrophobicContact CD2-CB 4.3Å; L77-L111 HydrophobicContact CD2-CD1 3.47Å; L77-L111 VanDerWaalsContact CD2-CD1 3.47Å; V82-L111 HydrophobicContact CG2-CD1 3.68Å; V82-L111 HydrophobicContact CG2-CD2 4.12Å; V82-L111 HydrophobicContact CG2-CG 4Å; L111-P113 VanDerWaalsContact C-N 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.04Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å; L111-V151 HydrophobicContact CD2-CG1 4.04Å; L111-V151 HydrophobicContact CD2-CG2 4.2Å | ||
| 112 | L | 88.8 | Confident | 91.1 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50 | -38.6 | 177.7 | -162.7 | 67.3 | 0 | 0 | 0 | 114.5 | D110 L114 L115 E116 L168 K170 | D110-L112 WeakPolarHBondContact OD1-CB 3.36Å; D110-L112 PolarHBondContact OD1-N 3.22Å; L112-L114 PolarHBondContact O-N 2.94Å; L112-L115 HydrophobicContact CD1-CD1 4.35Å; L112-L115 WeakPolarHBondContact O-CA 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.23Å; L112-E116 PolarHBondContact O-N 3.24Å; L112-L168 HydrophobicContact CD1-CD1 3.86Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; L112-L168 HydrophobicContact CD1-CG 4.16Å; L112-L168 HydrophobicContact CD2-CD2 4.3Å; L112-L168 HydrophobicContact CG-CD2 3.94Å; L112-K170 HydrophobicContact CD2-CD 3.85Å; L112-K170 HydrophobicContact CD2-CG 4.27Å |
| 113 | P | 91.8 | Very high | 91.4 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -28 | 177.2 | -27.9 | 36.8 | 0 | 0 | 0 | 114 | L111 L115 E116 G117 Q118 F121 | L111-P113 VanDerWaalsContact C-N 3.29Å; P113-L115 VanDerWaalsContact C-N 3.34Å; P113-E116 PolarHBondContact O-N 3.12Å; P113-G117 PolarHBondContact O-N 3.44Å; P113-Q118 HydrophobicContact CB-CB 4.46Å; P113-Q118 HydrophobicContact CB-CG 4.39Å; P113-Q118 VanDerWaalsContact O-CB 3.22Å; P113-Q118 WeakPolarHBondContact O-CB 3.27Å; P113-Q118 WeakPolarHBondContact O-CG 3.4Å; P113-Q118 PolarHBondContact O-N 3.26Å; P113-F121 HydrophobicContact CB-CD1 3.66Å; P113-F121 HydrophobicContact CB-CE1 3.86Å; P113-F121 HydrophobicContact CB-CG 4.09Å; P113-F121 HydrophobicContact CB-CZ 4.46Å; P113-F121 HydrophobicContact CG-CD1 4.16Å; P113-F121 HydrophobicContact CG-CD2 4.41Å; P113-F121 HydrophobicContact CG-CE1 4.1Å; P113-F121 HydrophobicContact CG-CE2 4.36Å; P113-F121 HydrophobicContact CG-CG 4.31Å; P113-F121 HydrophobicContact CG-CZ 4.19Å |
| 114 | L | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.5 | -33.2 | 175.5 | -56 | -175.2 | 0 | 0 | 0 | 112.5 | V11 L111 L112 E116 G117 Q118 F121 V151 V153 L157 | V11-L114 HydrophobicContact CG1-CD1 3.84Å; V11-L114 HydrophobicContact CG2-CD1 4.46Å; L111-L114 WeakPolarHBondContact O-CB 3.4Å; L111-L114 PolarHBondContact O-N 3.04Å; L112-L114 PolarHBondContact O-N 2.94Å; L114-E116 VanDerWaalsContact C-N 3.35Å; L114-G117 PolarHBondContact O-N 2.89Å; L114-Q118 WeakPolarHBondContact CA-O 3.44Å; L114-Q118 VanDerWaalsContact CD2-O 3.32Å; L114-Q118 WeakPolarHBondContact CD2-O 3.39Å; L114-F121 HydrophobicContact CD2-CD1 4.03Å; L114-F121 HydrophobicContact CD2-CE1 3.79Å; L114-F121 HydrophobicContact CG-CE1 3.95Å; L114-V151 HydrophobicContact CD1-CG1 3.97Å; L114-V151 HydrophobicContact CD2-CG1 4.25Å; L114-V151 HydrophobicContact CG-CG1 4.42Å; L114-V153 HydrophobicContact CD1-CG1 4.2Å; L114-V153 HydrophobicContact CD2-CG2 3.96Å; L114-L157 HydrophobicContact CB-CD1 3.77Å; L114-L157 HydrophobicContact CB-CG 4.29Å; L114-L157 HydrophobicContact CD1-CD1 3.93Å; L114-L157 HydrophobicContact CG-CD1 4.49Å |
| 115 | L | 90.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79 | -21.8 | 175.6 | -57.7 | -176.9 | 0 | 0 | 0 | 112 | L77 A78 L112 P113 G117 L158 | L77-L115 HydrophobicContact CB-CD1 4.06Å; L77-L115 HydrophobicContact CB-CD2 4.22Å; L77-L115 HydrophobicContact CB-CG 4.28Å; L77-L115 HydrophobicContact CD1-CD2 4.04Å; A78-L115 HydrophobicContact CB-CD1 3.7Å; L112-L115 HydrophobicContact CD1-CD1 4.35Å; L112-L115 WeakPolarHBondContact O-CA 3.28Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.23Å; P113-L115 VanDerWaalsContact C-N 3.34Å; L115-G117 PolarHBondContact O-N 3.36Å; L115-L158 HydrophobicContact CB-CD1 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.31Å; L115-L158 WeakPolarHBondContact O-CD1 3.48Å |
| 116 | E | 88.3 | Confident | 92.1 | Very high | 98 Ų | 98 | 41.9 Ų | 41.9 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.2 | 169.9 | -64.2 | 174.9 | 169.4 | 0 | 0 | 112.7 | L112 P113 L114 L168 | L112-E116 PolarHBondContact O-N 3.24Å; P113-E116 PolarHBondContact O-N 3.12Å; L114-E116 VanDerWaalsContact C-N 3.35Å; E116-L168 HydrophobicContact CG-CD2 3.77Å |
| 117 | G | 87.8 | Confident | 92 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 4.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P113 L114 L115 | P113-G117 PolarHBondContact O-N 3.44Å; L114-G117 PolarHBondContact O-N 2.89Å; L115-G117 PolarHBondContact O-N 3.36Å |
| 118 | Q | 92.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | trans | -74.9 | 138.7 | 174.9 | -53.9 | -175.2 | 32.7 | 0 | 0 | 110.6 | P113 L114 | P113-Q118 HydrophobicContact CB-CB 4.46Å; P113-Q118 HydrophobicContact CB-CG 4.39Å; P113-Q118 VanDerWaalsContact O-CB 3.22Å; P113-Q118 WeakPolarHBondContact O-CB 3.27Å; P113-Q118 WeakPolarHBondContact O-CG 3.4Å; P113-Q118 PolarHBondContact O-N 3.26Å; L114-Q118 WeakPolarHBondContact CA-O 3.44Å; L114-Q118 VanDerWaalsContact CD2-O 3.32Å; L114-Q118 WeakPolarHBondContact CD2-O 3.39Å | ||
| 119 | S | 94.8 | Very high | 91.2 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 26% | 0.259 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -92.7 | -14.6 | 172.2 | -48.3 | 0 | 0 | 0 | 0 | 113 | V153 P156 | S119-V153 VanDerWaalsContact O-CG2 3.24Å; S119-V153 WeakPolarHBondContact O-CG2 3.46Å; S119-V153 PolarHBondContact O-N 3.33Å; S119-V153 VanDerWaalsContact O-O 3.12Å; S119-P156 VanDerWaalsContact OG-CD 3.28Å; S119-P156 WeakPolarHBondContact OG-CD 3.24Å; S119-P156 WeakPolarHBondContact OG-CG 3.11Å |
| 120 | S | 96.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 146.5 | 175.2 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | V151 | S120-V151 CarbonylContact C-O 3.55Å; S120-V151 WeakPolarHBondContact CA-O 3.48Å; S120-V151 WeakPolarHBondContact CB-O 3.45Å |
| 121 | F | 96.8 | Very high | 88.9 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162 | 170.6 | 63.3 | -87.2 | 0 | 0 | 0 | 110.9 | V109 D110 L111 P113 L114 T123 K150 V151 | V109-F121 HydrophobicContact CG1-CE2 4.43Å; D110-F121 WeakPolarHBondContact O-CZ 3.35Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å; P113-F121 HydrophobicContact CB-CD1 3.66Å; P113-F121 HydrophobicContact CB-CE1 3.86Å; P113-F121 HydrophobicContact CB-CG 4.09Å; P113-F121 HydrophobicContact CB-CZ 4.46Å; P113-F121 HydrophobicContact CG-CD1 4.16Å; P113-F121 HydrophobicContact CG-CD2 4.41Å; P113-F121 HydrophobicContact CG-CE1 4.1Å; P113-F121 HydrophobicContact CG-CE2 4.36Å; P113-F121 HydrophobicContact CG-CG 4.31Å; P113-F121 HydrophobicContact CG-CZ 4.19Å; L114-F121 HydrophobicContact CD2-CD1 4.03Å; L114-F121 HydrophobicContact CD2-CE1 3.79Å; L114-F121 HydrophobicContact CG-CE1 3.95Å; F121-T123 HydrophobicContact CD2-CG2 4.31Å; F121-T123 HydrophobicContact CE2-CG2 4.14Å; F121-K150 WeakPolarHBondContact O-CA 3.17Å; F121-V151 HydrophobicContact CD1-CB 4Å; F121-V151 HydrophobicContact CD1-CG1 4.46Å; F121-V151 HydrophobicContact CD2-CB 4.47Å; F121-V151 HydrophobicContact CE1-CB 3.49Å; F121-V151 VanDerWaalsContact CE1-CB 3.49Å; F121-V151 HydrophobicContact CE1-CG1 3.7Å; F121-V151 HydrophobicContact CE1-CG2 4.01Å; F121-V151 HydrophobicContact CE2-CB 4.02Å; F121-V151 HydrophobicContact CE2-CG2 3.77Å; F121-V151 HydrophobicContact CG-CB 4.47Å; F121-V151 HydrophobicContact CZ-CB 3.51Å; F121-V151 HydrophobicContact CZ-CG1 3.97Å; F121-V151 HydrophobicContact CZ-CG2 3.46Å; F121-V151 VanDerWaalsContact CZ-CG2 3.46Å; F121-V151 PolarHBondContact N-O 2.95Å; F121-V151 PolarHBondContact O-N 2.6Å |
| 122 | Q | 97.6 | Very high | 87.6 | Confident | 116 Ų | 116 | 51.5 Ų | 51.5 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.3 | 176.8 | -178.4 | 170.4 | -7 | 0 | 0 | 108.6 | E148 V149 | Q122-E148 HydrophobicContact CG-CG 4.41Å; Q122-E148 PolarHBondContact NE2-OE1 3.47Å; Q122-V149 CarbonylContact C-O 3.6Å; Q122-V149 WeakPolarHBondContact CA-O 3.3Å |
| 123 | T | 94.8 | Very high | 86.7 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151 | -175.7 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | F121 V125 V149 | F121-T123 HydrophobicContact CD2-CG2 4.31Å; F121-T123 HydrophobicContact CE2-CG2 4.14Å; T123-V125 HydrophobicContact CG2-CG1 3.93Å; T123-V149 PolarHBondContact N-O 3.38Å; T123-V149 PolarHBondContact O-N 3.43Å |
| 124 | T | 95.9 | Very high | 85.4 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.2 | 171.7 | -58.3 | 0 | 0 | 0 | 0 | 108.1 | L147 | T124-L147 CarbonylContact C-O 3.59Å; T124-L147 WeakPolarHBondContact CA-O 3.5Å |
| 125 | V | 91.3 | Very high | 84.1 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131 | -177.4 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | A107 V108 V109 T123 S146 L147 V149 | A107-V125 HydrophobicContact CB-CB 4.27Å; A107-V125 HydrophobicContact CB-CG2 3.66Å; V108-V125 VanDerWaalsContact O-CG1 3.25Å; V108-V125 WeakPolarHBondContact O-CG1 3.49Å; V109-V125 HydrophobicContact CG2-CG1 4.35Å; V109-V125 HydrophobicContact CG2-CG2 4.4Å; T123-V125 HydrophobicContact CG2-CG1 3.93Å; V125-S146 CarbonylContact O-C 3.56Å; V125-S146 WeakPolarHBondContact O-CA 3.26Å; V125-S146 VanDerWaalsContact O-CB 3.28Å; V125-S146 WeakPolarHBondContact O-CB 3.26Å; V125-L147 HydrophobicContact CG2-CB 3.95Å; V125-L147 WeakPolarHBondContact CG2-O 3.25Å; V125-L147 PolarHBondContact N-O 3.03Å; V125-L147 PolarHBondContact O-N 3.31Å; V125-V149 HydrophobicContact CG2-CG2 3.78Å |
| 126 | P | 90 | Very high | 82.7 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 140.4 | 175.2 | 25.7 | -32.9 | 0 | 0 | 0 | 111 | A107 H128 Q144 | A107-P126 WeakPolarHBondContact CB-O 3.41Å; P126-H128 WeakPolarHBondContact CG-NE2 3.39Å; P126-Q144 HydrophobicContact CB-CG 4.28Å |
| 127 | L | 88 | Confident | 81.2 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | trans | -90.4 | 113.3 | 171.2 | -171.8 | 73.1 | 0 | 0 | 0 | 108.4 | L21 V86 G105 A107 L135 C145 | L21-L127 HydrophobicContact CD2-CD2 3.83Å; V86-L127 HydrophobicContact CB-CD1 4.08Å; V86-L127 HydrophobicContact CB-CD2 4.11Å; V86-L127 HydrophobicContact CG2-CD1 3.47Å; V86-L127 VanDerWaalsContact CG2-CD1 3.47Å; V86-L127 HydrophobicContact CG2-CD2 3.98Å; V86-L127 HydrophobicContact CG2-CG 4.4Å; G105-L127 VanDerWaalsContact C-CD1 3.47Å; A107-L127 HydrophobicContact CB-CD1 4.15Å; L127-L135 HydrophobicContact CD2-CD1 4.25Å; L127-C145 HydrophobicContact CB-CB 3.81Å; L127-C145 WeakPolarHBondContact CB-O 3.36Å; L127-C145 HydrophobicContact CD2-CB 3.97Å; L127-C145 HydrophobicContact CG-CB 4.46Å; L127-C145 PolarHBondContact N-O 3.19Å | ||
| 128 | H | 82.9 | Confident | 79.6 | Confident | 93 Ų | 93 | 63.4 Ų | 63.4 | 43% | 0.431 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -92 | 136.5 | -179.3 | -64.6 | -78.6 | 0 | 0 | 0 | 110.9 | G105 Q106 P126 V130 | G105-H128 CarbonylContact C-O 3.5Å; G105-H128 WeakPolarHBondContact CA-O 3.27Å; Q106-H128 PolarHBondContact N-O 3.25Å; Q106-H128 PolarHBondContact O-N 3.4Å; P126-H128 WeakPolarHBondContact CG-NE2 3.39Å; H128-V130 PolarHBondContact O-N 3.02Å |
| 129 | P | 78.8 | Confident | 77.8 | Confident | 64 Ų | 64 | 69 Ų | 69 | 42% | 0.416 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -62 | 138 | 173.6 | 25.6 | -32.5 | 0 | 0 | 0 | 110.4 | L135 E136 | P129-L135 HydrophobicContact CB-CB 3.8Å; P129-E136 HydrophobicContact CB-CB 4.43Å |
| 130 | V | 69.8 | Low | 75.5 | Confident | 39 Ų | 39 | 73.9 Ų | 73.9 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -95.6 | 160 | 167.6 | -62.8 | 0 | 0 | 0 | 0 | 109.8 | I103 Q106 H128 G132 S133 | I103-V130 HydrophobicContact CB-CG2 3.95Å; I103-V130 HydrophobicContact CG2-CG2 3.48Å; I103-V130 VanDerWaalsContact CG2-CG2 3.48Å; Q106-V130 HydrophobicContact CB-CG1 3.97Å; H128-V130 PolarHBondContact O-N 3.02Å; V130-G132 PolarHBondContact O-N 2.98Å; V130-S133 WeakPolarHBondContact O-CA 3.47Å; V130-S133 WeakPolarHBondContact O-CB 3.43Å; V130-S133 PolarHBondContact O-N 3.27Å |
| 131 | Q | 64.4 | Low | 73.5 | Confident | 138 Ų | 138 | 76.5 Ų | 76.5 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127.8 | 179.6 | -170.4 | 179.2 | 6.5 | 0 | 0 | 111.5 | S133 | Q131-S133 VanDerWaalsContact C-N 3.3Š|
| 132 | G | 64.6 | Low | 72 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 62% | 0.619 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V130 E136 | V130-G132 PolarHBondContact O-N 2.98Å; G132-E136 PolarHBondContact N-OE2 3.01Å |
| 133 | S | 70.4 | Confident | 70.7 | Confident | 8 Ų | 8 | 79.8 Ų | 79.8 | 6% | 0.056 | 46% | 0.461 | C | S | . | . | trans | -72.6 | 145 | 171.7 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | L104 V130 Q131 L135 E136 | L104-S133 WeakPolarHBondContact O-CB 3.37Å; L104-S133 PolarHBondContact O-OG 2.67Å; V130-S133 WeakPolarHBondContact O-CA 3.47Å; V130-S133 WeakPolarHBondContact O-CB 3.43Å; V130-S133 PolarHBondContact O-N 3.27Å; Q131-S133 VanDerWaalsContact C-N 3.3Å; S133-L135 PolarHBondContact O-N 3Å; S133-L135 VanDerWaalsContact O-N 3.07Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 2.82Å; S133-E136 WeakPolarHBondContact O-CB 3.18Å; S133-E136 PolarHBondContact O-N 2.64Å; S133-E136 VanDerWaalsContact O-N 3.13Å | ||
| 134 | P | 65 | Low | 70.1 | Confident | 37 Ų | 37 | 83 Ų | 83 | 24% | 0.24 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.5 | 167.9 | -21.2 | 32.5 | 0 | 0 | 0 | 114.5 | F24 L102 L104 | F24-P134 HydrophobicContact CB-CB 4.46Å; F24-P134 HydrophobicContact CB-CG 3.75Å; F24-P134 HydrophobicContact CD2-CB 3.91Å; F24-P134 HydrophobicContact CD2-CG 3.55Å; F24-P134 HydrophobicContact CG-CG 4.04Å; L102-P134 HydrophobicContact CD2-CG 3.46Å; L102-P134 VanDerWaalsContact CD2-CG 3.46Å; L102-P134 HydrophobicContact CG-CG 4.44Å; L104-P134 HydrophobicContact CD2-CG 4.26Å |
| 135 | L | 65.3 | Low | 69.8 | Low | 41 Ų | 41 | 79.9 Ų | 79.9 | 22% | 0.215 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.6 | -178.4 | -59 | -175.3 | 0 | 0 | 0 | 113.1 | L104 L127 P129 S133 T137 | L104-L135 HydrophobicContact CB-CD1 4.38Å; L104-L135 VanDerWaalsContact O-CD1 3.3Å; L104-L135 WeakPolarHBondContact O-CD1 3.47Å; L127-L135 HydrophobicContact CD2-CD1 4.25Å; P129-L135 HydrophobicContact CB-CB 3.8Å; S133-L135 PolarHBondContact O-N 3Å; S133-L135 VanDerWaalsContact O-N 3.07Å; S133-L135 WeakPolarHBondContact OG-CB 3.49Å; S133-L135 PolarHBondContact OG-N 2.82Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.4Å |
| 136 | E | 60.7 | Low | 69.9 | Low | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -68 | -27.3 | -176.8 | -169.2 | 172.9 | -178.5 | 0 | 0 | 113.3 | P129 G132 S133 P138 | P129-E136 HydrophobicContact CB-CB 4.43Å; G132-E136 PolarHBondContact N-OE2 3.01Å; S133-E136 WeakPolarHBondContact O-CB 3.18Å; S133-E136 PolarHBondContact O-N 2.64Å; S133-E136 VanDerWaalsContact O-N 3.13Å; E136-P138 WeakPolarHBondContact O-CD 3.34Å |
| 137 | T | 57.6 | Low | 70.3 | Confident | 108 Ų | 108 | 78 Ų | 78 | 66% | 0.663 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -92.2 | 104.9 | 173.2 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | L135 R139 | L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.4Å; T137-R139 PolarHBondContact O-N 3.31Å |
| 138 | P | 52.5 | Low | 70.8 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 80% | 0.799 | 45% | 0.449 | S | S | * | . | trans | -66.4 | 118.3 | 178.1 | 26.3 | -33.7 | 0 | 0 | 0 | 109.8 | E136 | E136-P138 WeakPolarHBondContact O-CD 3.34Š| ||
| 139 | R | 55.6 | Low | 71.5 | Confident | 200 Ų | 200 | 75.2 Ų | 75.2 | 76% | 0.755 | 43% | 0.429 | S | S | * | . | trans | -76.8 | 131.5 | 165.8 | -62.9 | -176.1 | -174.8 | 178.9 | 4 | 107.3 | T137 S141 A142 | T137-R139 PolarHBondContact O-N 3.31Å; R139-S141 PolarHBondContact O-N 3.15Å; R139-A142 HydrophobicContact CB-CB 4.34Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-A142 VanDerWaalsContact O-N 3.09Å | ||
| 140 | S | 47.7 | Very low | 72.4 | Confident | 139 Ų | 139 | 76.4 Ų | 76.4 | 97% | 0.972 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 7.9 | -170.5 | 47.2 | 0 | 0 | 0 | 0 | 117 | ||
| 141 | S | 54.9 | Low | 73.8 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 80% | 0.797 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.8 | 10.4 | 179.4 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | R139 | R139-S141 PolarHBondContact O-N 3.15Š|
| 142 | A | 63.6 | Low | 75.4 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 129.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | R139 | R139-A142 HydrophobicContact CB-CB 4.34Å; R139-A142 PolarHBondContact O-N 2.63Å; R139-A142 VanDerWaalsContact O-N 3.09Å |
| 143 | K | 71.8 | Confident | 76.9 | Confident | 155 Ų | 155 | 68.4 Ų | 68.4 | 67% | 0.674 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 143.5 | 166.1 | -69.9 | -179.8 | 177.7 | -179.8 | 0 | 109.8 | D20 C145 | D20-K143 HydrophobicContact CB-CB 4.23Å; D20-K143 WeakPolarHBondContact OD1-CD 3.21Å; K143-C145 PolarHBondContact O-N 2.79Å |
| 144 | Q | 82.2 | Confident | 78 | Confident | 123 Ų | 123 | 72.9 Ų | 72.9 | 58% | 0.575 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -71 | 123.6 | 179.3 | -175.2 | 168.8 | 18.9 | 0 | 0 | 110.2 | P126 | P126-Q144 HydrophobicContact CB-CG 4.28Š|
| 145 | C | 89.1 | Confident | 79.2 | Confident | 12 Ų | 12 | 77.5 Ų | 77.5 | 8% | 0.081 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 141.9 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 110 | Y19 D20 L21 L127 K143 | Y19-C145 WeakPolarHBondContact O-CA 3.32Å; D20-C145 PolarHBondContact O-SG 3.2Å; L21-C145 HydrophobicContact CD2-CB 4.47Å; L127-C145 HydrophobicContact CB-CB 3.81Å; L127-C145 WeakPolarHBondContact CB-O 3.36Å; L127-C145 HydrophobicContact CD2-CB 3.97Å; L127-C145 HydrophobicContact CG-CB 4.46Å; L127-C145 PolarHBondContact N-O 3.19Å; K143-C145 PolarHBondContact O-N 2.79Å |
| 146 | S | 94 | Very high | 80.4 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 12% | 0.119 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 163.1 | -179.6 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | G18 Y19 V125 | G18-S146 WeakPolarHBondContact CA-O 3.41Å; Y19-S146 PolarHBondContact N-O 2.84Å; Y19-S146 PolarHBondContact O-N 3.41Å; V125-S146 CarbonylContact O-C 3.56Å; V125-S146 WeakPolarHBondContact O-CA 3.26Å; V125-S146 VanDerWaalsContact O-CB 3.28Å; V125-S146 WeakPolarHBondContact O-CB 3.26Å |
| 147 | L | 97.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 137.8 | 174.2 | -58.8 | 177 | 0 | 0 | 0 | 109.5 | V15 E17 I33 Y58 L84 V86 A107 T124 V125 V149 | V15-L147 HydrophobicContact CG1-CB 4.19Å; V15-L147 HydrophobicContact CG1-CD1 4.46Å; V15-L147 HydrophobicContact CG1-CD2 4.4Å; E17-L147 WeakPolarHBondContact O-CA 3.48Å; I33-L147 HydrophobicContact CD1-CD1 4.12Å; I33-L147 HydrophobicContact CD1-CD2 4.01Å; Y58-L147 HydrophobicContact CE2-CD2 4.43Å; L84-L147 HydrophobicContact CB-CD1 3.95Å; L84-L147 HydrophobicContact CD1-CD1 4.04Å; V86-L147 HydrophobicContact CG2-CD1 3.9Å; V86-L147 HydrophobicContact CG2-CD2 4.1Å; V86-L147 HydrophobicContact CG2-CG 4.41Å; A107-L147 HydrophobicContact CB-CD1 4.02Å; T124-L147 CarbonylContact C-O 3.59Å; T124-L147 WeakPolarHBondContact CA-O 3.5Å; V125-L147 HydrophobicContact CG2-CB 3.95Å; V125-L147 WeakPolarHBondContact CG2-O 3.25Å; V125-L147 PolarHBondContact N-O 3.03Å; V125-L147 PolarHBondContact O-N 3.31Å; L147-V149 HydrophobicContact CB-CG2 4.23Å |
| 148 | E | 98.2 | Very high | 83.4 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 18% | 0.178 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 124 | 167.9 | -170.1 | -178.4 | -137.7 | 0 | 0 | 109.5 | V15 T16 E17 Y19 Q122 | V15-E148 WeakPolarHBondContact CA-O 3.39Å; T16-E148 PolarHBondContact N-O 2.95Å; T16-E148 WeakPolarHBondContact OG1-CB 3.38Å; T16-E148 VanDerWaalsContact OG1-CG 3.3Å; T16-E148 WeakPolarHBondContact OG1-CG 3.4Å; T16-E148 PolarHBondContact OG1-O 3.33Å; T16-E148 PolarHBondContact OG1-OE2 3.02Å; E17-E148 HydrophobicContact CB-CB 4.34Å; E17-E148 PolarHBondContact O-N 3.34Å; Y19-E148 HydrophobicContact CE2-CB 3.99Å; Q122-E148 HydrophobicContact CG-CG 4.41Å; Q122-E148 PolarHBondContact NE2-OE1 3.47Å |
| 149 | V | 98.3 | Very high | 85 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 132.9 | -173.8 | -172.8 | 0 | 0 | 0 | 0 | 110 | I13 T14 V15 L84 V109 Q122 T123 V125 L147 V151 | I13-V149 HydrophobicContact CG2-CG1 3.73Å; T14-V149 CarbonylContact O-C 3.56Å; T14-V149 WeakPolarHBondContact O-CA 3.45Å; V15-V149 HydrophobicContact CG2-CG2 4.35Å; L84-V149 HydrophobicContact CD1-CG2 3.58Å; V109-V149 HydrophobicContact CG1-CG1 4.2Å; V109-V149 HydrophobicContact CG2-CB 4.32Å; V109-V149 HydrophobicContact CG2-CG1 3.98Å; V109-V149 HydrophobicContact CG2-CG2 4.06Å; Q122-V149 CarbonylContact C-O 3.6Å; Q122-V149 WeakPolarHBondContact CA-O 3.3Å; T123-V149 PolarHBondContact N-O 3.38Å; T123-V149 PolarHBondContact O-N 3.43Å; V125-V149 HydrophobicContact CG2-CG2 3.78Å; L147-V149 HydrophobicContact CB-CG2 4.23Å; V149-V151 HydrophobicContact CG1-CG2 4.36Å |
| 150 | K | 98.3 | Very high | 86.5 | Confident | 90 Ų | 90 | 64 Ų | 64 | 39% | 0.391 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.5 | 170.9 | -176.6 | 177.1 | 180 | 177.5 | 0 | 109.7 | T14 F121 | T14-K150 PolarHBondContact N-O 2.95Å; T14-K150 PolarHBondContact O-N 3.5Å; F121-K150 WeakPolarHBondContact O-CA 3.17Å |
| 151 | V | 97.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.5 | 173.6 | -178.3 | 0 | 0 | 0 | 0 | 109 | V11 Q12 I13 V109 L111 L114 S120 F121 V149 | V11-V151 HydrophobicContact CG1-CG1 4.1Å; Q12-V151 CarbonylContact O-C 3.53Å; Q12-V151 VanDerWaalsContact O-CA 3.29Å; Q12-V151 WeakPolarHBondContact O-CA 3.48Å; I13-V151 HydrophobicContact CG1-CG2 4.27Å; V109-V151 HydrophobicContact CG1-CG2 3.96Å; L111-V151 HydrophobicContact CD2-CG1 4.04Å; L111-V151 HydrophobicContact CD2-CG2 4.2Å; L114-V151 HydrophobicContact CD1-CG1 3.97Å; L114-V151 HydrophobicContact CD2-CG1 4.25Å; L114-V151 HydrophobicContact CG-CG1 4.42Å; S120-V151 CarbonylContact C-O 3.55Å; S120-V151 WeakPolarHBondContact CA-O 3.48Å; S120-V151 WeakPolarHBondContact CB-O 3.45Å; F121-V151 HydrophobicContact CD1-CB 4Å; F121-V151 HydrophobicContact CD1-CG1 4.46Å; F121-V151 HydrophobicContact CD2-CB 4.47Å; F121-V151 HydrophobicContact CE1-CB 3.49Å; F121-V151 VanDerWaalsContact CE1-CB 3.49Å; F121-V151 HydrophobicContact CE1-CG1 3.7Å; F121-V151 HydrophobicContact CE1-CG2 4.01Å; F121-V151 HydrophobicContact CE2-CB 4.02Å; F121-V151 HydrophobicContact CE2-CG2 3.77Å; F121-V151 HydrophobicContact CG-CB 4.47Å; F121-V151 HydrophobicContact CZ-CB 3.51Å; F121-V151 HydrophobicContact CZ-CG1 3.97Å; F121-V151 HydrophobicContact CZ-CG2 3.46Å; F121-V151 VanDerWaalsContact CZ-CG2 3.46Å; F121-V151 PolarHBondContact N-O 2.95Å; F121-V151 PolarHBondContact O-N 2.6Å; V149-V151 HydrophobicContact CG1-CG2 4.36Å |
| 152 | L | 97.9 | Very high | 89.7 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 34% | 0.34 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 137.4 | -176.8 | 179 | 69 | 0 | 0 | 0 | 111 | Q12 | Q12-L152 HydrophobicContact CB-CB 4.45Å; Q12-L152 PolarHBondContact N-O 2.8Å; Q12-L152 PolarHBondContact O-N 3.41Å |
| 153 | V | 96.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.8 | 163.9 | -76.7 | 0 | 0 | 0 | 0 | 108.2 | V11 L114 S119 E155 L157 | V11-V153 HydrophobicContact CB-CG1 4.01Å; V11-V153 HydrophobicContact CG1-CG1 4.18Å; V11-V153 HydrophobicContact CG2-CG1 3.61Å; L114-V153 HydrophobicContact CD1-CG1 4.2Å; L114-V153 HydrophobicContact CD2-CG2 3.96Å; S119-V153 VanDerWaalsContact O-CG2 3.24Å; S119-V153 WeakPolarHBondContact O-CG2 3.46Å; S119-V153 PolarHBondContact O-N 3.33Å; S119-V153 VanDerWaalsContact O-O 3.12Å; V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 WeakPolarHBondContact CG2-O 3.45Å; V153-E155 PolarHBondContact O-N 2.92Å; V153-L157 HydrophobicContact CB-CD2 4.33Å; V153-L157 HydrophobicContact CG1-CD2 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 HydrophobicContact CG2-CD2 4.48Å; V153-L157 HydrophobicContact CG2-CG 4.4Å |
| 154 | A | 93.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 58.1 Ų | 58.1 | 84% | 0.843 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -63.2 | -35.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 155 | E | 90.7 | Very high | 91.1 | Very high | 134 Ų | 134 | 55.5 Ų | 55.5 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -139 | 154.1 | 179.4 | -65 | -176.2 | 175.1 | 0 | 0 | 109.7 | V153 L157 | V153-E155 VanDerWaalsContact C-N 3.28Å; V153-E155 WeakPolarHBondContact CG2-O 3.45Å; V153-E155 PolarHBondContact O-N 2.92Å; E155-L157 PolarHBondContact O-N 3.22Å |
| 156 | P | 91.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 56.9 Ų | 56.9 | 37% | 0.37 | 36% | 0.359 | S | S | . | . | trans | -51.3 | 136 | 176.4 | -24.1 | 31.6 | 0 | 0 | 0 | 112.2 | R9 S119 L158 | R9-P156 PolarHBondContact NH1-O 3.21Å; S119-P156 VanDerWaalsContact OG-CD 3.28Å; S119-P156 WeakPolarHBondContact OG-CD 3.24Å; S119-P156 WeakPolarHBondContact OG-CG 3.11Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 PolarHBondContact O-N 3.39Å | ||
| 157 | L | 91.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -69 | -29.4 | -178.5 | -65.8 | -171.5 | 0 | 0 | 0 | 112.7 | R9 V11 F66 L77 L114 V153 E155 | R9-L157 HydrophobicContact CB-CD2 4.11Å; R9-L157 PolarHBondContact NH1-O 2.95Å; R9-L157 PolarHBondContact NH2-O 3.08Å; V11-L157 HydrophobicContact CG2-CD1 4.43Å; F66-L157 HydrophobicContact CB-CD2 4.33Å; F66-L157 HydrophobicContact CD1-CD2 3.82Å; F66-L157 HydrophobicContact CD2-CD1 4.21Å; F66-L157 HydrophobicContact CE1-CB 4.49Å; F66-L157 HydrophobicContact CE1-CD2 4.38Å; F66-L157 HydrophobicContact CE2-CD1 4.46Å; F66-L157 HydrophobicContact CG-CD1 4.22Å; F66-L157 HydrophobicContact CG-CD2 4.07Å; L77-L157 HydrophobicContact CD1-CD1 3.29Å; L114-L157 HydrophobicContact CB-CD1 3.77Å; L114-L157 HydrophobicContact CB-CG 4.29Å; L114-L157 HydrophobicContact CD1-CD1 3.93Å; L114-L157 HydrophobicContact CG-CD1 4.49Å; V153-L157 HydrophobicContact CB-CD2 4.33Å; V153-L157 HydrophobicContact CG1-CD2 3.9Å; V153-L157 HydrophobicContact CG1-CG 4.3Å; V153-L157 HydrophobicContact CG2-CD2 4.48Å; V153-L157 HydrophobicContact CG2-CG 4.4Å; E155-L157 PolarHBondContact O-N 3.22Å |
| 158 | L | 88.7 | Confident | 87.7 | Confident | 37 Ų | 37 | 67.9 Ų | 67.9 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -117.8 | 144.9 | 177.1 | -57.6 | -178.3 | 0 | 0 | 0 | 110.3 | L115 P156 Q162 I163 | L115-L158 HydrophobicContact CB-CD1 4.39Å; L115-L158 HydrophobicContact CD2-CD1 4.31Å; L115-L158 WeakPolarHBondContact O-CD1 3.48Å; P156-L158 VanDerWaalsContact C-N 3.29Å; P156-L158 PolarHBondContact O-N 3.39Å; L158-Q162 HydrophobicContact CB-CB 4.33Å; L158-I163 HydrophobicContact CB-CD1 4.19Å; L158-I163 HydrophobicContact CB-CG1 3.8Å; L158-I163 HydrophobicContact CD1-CG1 4.42Å |
| 159 | T | 87.7 | Confident | 86.3 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 48% | 0.479 | 43% | 0.431 | S | S | . | . | trans | -71.8 | 156.4 | 172.6 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | A161 Q162 I163 | T159-A161 PolarHBondContact O-N 3.29Å; T159-Q162 PolarHBondContact O-N 3.49Å; T159-Q162 VanDerWaalsContact OG1-CG 3.27Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.28Å; T159-Q162 PolarHBondContact OG1-N 2.99Å; T159-Q162 PolarHBondContact OG1-OE1 3.19Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 3.04Å | ||
| 160 | T | 86.1 | Confident | 84.8 | Confident | 124 Ų | 124 | 76.5 Ų | 76.5 | 76% | 0.761 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54.1 | -37.6 | 175.1 | -41.7 | 0 | 0 | 0 | 0 | 112.2 | I163 S164 | T160-I163 PolarHBondContact O-N 3.44Å; T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3.39Å; T160-S164 PolarHBondContact O-OG 2.85Å; T160-S164 VanDerWaalsContact O-OG 3.09Å |
| 161 | A | 85.3 | Confident | 83.2 | Confident | 70 Ų | 70 | 75 Ų | 75 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T159 S164 G165 | T159-A161 PolarHBondContact O-N 3.29Å; A161-S164 WeakPolarHBondContact CA-OG 3.46Å; A161-S164 PolarHBondContact O-N 2.88Å; A161-S164 PolarHBondContact O-OG 3.21Å; A161-G165 PolarHBondContact O-N 3.47Å |
| 162 | Q | 84.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 79.3 Ų | 79.3 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 175.9 | -74.7 | 167.4 | -53.5 | 0 | 0 | 112 | L158 T159 G166 | L158-Q162 HydrophobicContact CB-CB 4.33Å; T159-Q162 PolarHBondContact O-N 3.49Å; T159-Q162 VanDerWaalsContact OG1-CG 3.27Å; T159-Q162 WeakPolarHBondContact OG1-CG 3.28Å; T159-Q162 PolarHBondContact OG1-N 2.99Å; T159-Q162 PolarHBondContact OG1-OE1 3.19Å; Q162-G166 WeakPolarHBondContact O-CA 3.42Å; Q162-G166 PolarHBondContact O-N 2.94Å |
| 163 | I | 83.6 | Confident | 79.3 | Confident | 65 Ų | 65 | 82.4 Ų | 82.4 | 33% | 0.333 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -46.5 | 176.4 | -63.4 | 166.3 | 0 | 0 | 0 | 110.2 | L158 T159 T160 G165 G166 | L158-I163 HydrophobicContact CB-CD1 4.19Å; L158-I163 HydrophobicContact CB-CG1 3.8Å; L158-I163 HydrophobicContact CD1-CG1 4.42Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 3.04Å; T160-I163 PolarHBondContact O-N 3.44Å; I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.01Å; I163-G166 PolarHBondContact O-N 3.44Å |
| 164 | S | 81.5 | Confident | 76.8 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.9 | -28.5 | -179.6 | 63.6 | 0 | 0 | 0 | 0 | 114 | T160 A161 | T160-S164 WeakPolarHBondContact O-CB 3.33Å; T160-S164 PolarHBondContact O-N 3.39Å; T160-S164 PolarHBondContact O-OG 2.85Å; T160-S164 VanDerWaalsContact O-OG 3.09Å; A161-S164 WeakPolarHBondContact CA-OG 3.46Å; A161-S164 PolarHBondContact O-N 2.88Å; A161-S164 PolarHBondContact O-OG 3.21Å |
| 165 | G | 80.4 | Confident | 74.3 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 70% | 0.701 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -94.5 | -8.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A161 I163 | A161-G165 PolarHBondContact O-N 3.47Å; I163-G165 VanDerWaalsContact C-N 3.31Å; I163-G165 PolarHBondContact O-N 3.01Å |
| 166 | G | 72.1 | Confident | 72.3 | Confident | 41 Ų | 41 | 87 Ų | 87 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | trans | -95.6 | 151.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q162 I163 | Q162-G166 WeakPolarHBondContact O-CA 3.42Å; Q162-G166 PolarHBondContact O-N 2.94Å; I163-G166 PolarHBondContact O-N 3.44Å | ||
| 167 | N | 69.2 | Low | 69.8 | Low | 159 Ų | 159 | 94.8 Ų | 94.8 | 85% | 0.85 | 55% | 0.551 | S | S | * | * | trans | -112.5 | 121.2 | 168.7 | -66.7 | -52.8 | 0 | 0 | 0 | 108.3 | ||||
| 168 | L | 69.4 | Low | 67.3 | Low | 90 Ų | 90 | 99.1 Ų | 99.1 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | trans | -102.9 | 115.3 | 173.5 | -172.5 | 67.3 | 0 | 0 | 0 | 108.9 | L112 E116 | L112-L168 HydrophobicContact CD1-CD1 3.86Å; L112-L168 HydrophobicContact CD1-CD2 3.67Å; L112-L168 HydrophobicContact CD1-CG 4.16Å; L112-L168 HydrophobicContact CD2-CD2 4.3Å; L112-L168 HydrophobicContact CG-CD2 3.94Å; E116-L168 HydrophobicContact CG-CD2 3.77Å | ||
| 169 | L | 68.9 | Low | 65.4 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 59% | 0.592 | S | S | . | * | trans | -101.2 | 116.2 | 174.7 | -179.8 | 69.4 | 0 | 0 | 0 | 109.8 | V171 L196 V198 I208 | L169-V171 HydrophobicContact CD2-CG2 4.16Å; L169-V171 HydrophobicContact CG-CG2 4.08Å; L169-L196 HydrophobicContact CD2-CD2 4.26Å; L169-V198 HydrophobicContact CD2-CB 4.3Å; L169-V198 HydrophobicContact CD2-CG1 4.01Å; L169-V198 HydrophobicContact CD2-CG2 3.27Å; L169-I208 HydrophobicContact CD2-CD1 4.12Å | ||
| 170 | K | 66.9 | Low | 63.4 | Low | 127 Ų | 127 | 100.4 Ų | 100.4 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | trans | -95.7 | 125.9 | 171.8 | -172.2 | 174.3 | -174.4 | 163.8 | 0 | 110.2 | D110 L112 T172 | D110-K170 IonicContact OD2-NZ 3.6Å; L112-K170 HydrophobicContact CD2-CD 3.85Å; L112-K170 HydrophobicContact CD2-CG 4.27Å; K170-T172 WeakPolarHBondContact CE-OG1 3.39Å | ||
| 171 | V | 64.3 | Low | 61.5 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 36% | 0.364 | 59% | 0.593 | S | S | . | * | trans | -118.9 | 117.5 | 172.9 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | L169 L196 F210 | L169-V171 HydrophobicContact CD2-CG2 4.16Å; L169-V171 HydrophobicContact CG-CG2 4.08Å; V171-L196 HydrophobicContact CG1-CD2 4.37Å; V171-L196 HydrophobicContact CG2-CD2 3.56Å; V171-F210 HydrophobicContact CB-CE2 4.17Å; V171-F210 HydrophobicContact CB-CZ 4.11Å; V171-F210 HydrophobicContact CG1-CE2 4.25Å; V171-F210 HydrophobicContact CG2-CE2 3.87Å; V171-F210 HydrophobicContact CG2-CZ 3.8Å | ||
| 172 | T | 58.1 | Low | 59.4 | Low | 90 Ų | 90 | 102.3 Ų | 102.3 | 55% | 0.552 | 59% | 0.587 | S | S | * | * | trans | -120.7 | 127.1 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 109 | K170 E174 | K170-T172 WeakPolarHBondContact CE-OG1 3.39Å; T172-E174 HydrophobicContact CG2-CG 4.09Å | ||
| 173 | L | 56.2 | Low | 57.4 | Low | 130 Ų | 130 | 102.5 Ų | 102.5 | 68% | 0.681 | 59% | 0.587 | S | S | * | * | trans | -99.4 | 99.5 | 173.2 | -177.6 | 68.8 | 0 | 0 | 0 | 108.7 | ||||
| 174 | E | 42.8 | Very low | 55.9 | Low | 185 Ų | 185 | 103.6 Ų | 103.6 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | trans | -80.4 | -31.8 | -173.8 | -63.6 | -172.1 | 158.3 | 0 | 0 | 113.8 | T172 | T172-E174 HydrophobicContact CG2-CG 4.09Š| ||
| 175 | A | 41.8 | Very low | 54.2 | Low | 87 Ų | 87 | 104.1 Ų | 104.1 | 72% | 0.719 | 59% | 0.593 | S | S | * | * | trans | -152.6 | 149.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 176 | A | 47.6 | Very low | 52.7 | Low | 62 Ų | 62 | 106.1 Ų | 106.1 | 51% | 0.512 | 59% | 0.592 | S | S | . | * | trans | -131.1 | 128.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | V179 | A176-V179 HydrophobicContact CB-CG2 3.48Å; A176-V179 VanDerWaalsContact CB-CG2 3.48Å | ||
| 177 | Y | 38.1 | Very low | 51.3 | Low | 221 Ų | 221 | 106.3 Ų | 106.3 | 87% | 0.867 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -102.5 | 140.4 | -179.1 | -175.8 | -99.4 | 0 | 0 | 0 | 110.2 | V179 | Y177-V179 VanDerWaalsContact C-N 3.26Å; Y177-V179 PolarHBondContact O-N 2.91Å |
| 178 | S | 38.8 | Very low | 49.8 | Very low | 92 Ų | 92 | 104 Ų | 104 | 64% | 0.643 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 53.6 | 42.4 | -178 | -58.1 | 0 | 0 | 0 | 0 | 113.2 | P180 | S178-P180 WeakPolarHBondContact O-CD 3.43Š|
| 179 | V | 49.2 | Very low | 48.6 | Very low | 68 Ų | 68 | 103.7 Ų | 103.7 | 41% | 0.412 | 61% | 0.606 | S | S | . | * | trans | -60.3 | 123.2 | 173.8 | -160.4 | 0 | 0 | 0 | 0 | 107.6 | A176 Y177 F183 | A176-V179 HydrophobicContact CB-CG2 3.48Å; A176-V179 VanDerWaalsContact CB-CG2 3.48Å; Y177-V179 VanDerWaalsContact C-N 3.26Å; Y177-V179 PolarHBondContact O-N 2.91Å; V179-F183 HydrophobicContact CG1-CB 3.37Å; V179-F183 HydrophobicContact CG1-CD1 3.6Å; V179-F183 HydrophobicContact CG1-CG 3.66Å | ||
| 180 | P | 45.6 | Very low | 47.6 | Very low | 74 Ų | 74 | 105.5 Ų | 105.5 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | trans | -54.7 | 146.6 | -179.3 | -26.9 | 35 | 0 | 0 | 0 | 111.2 | S178 S182 F183 | S178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-S182 WeakPolarHBondContact CB-OG 3.35Å; P180-S182 PolarHBondContact O-N 3.41Å; P180-F183 PolarHBondContact O-N 2.68Å | ||
| 181 | E | 46.6 | Very low | 46.7 | Very low | 168 Ų | 168 | 104.4 Ų | 104.4 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -53.8 | -23.1 | 176.7 | -74.1 | -176.1 | 157.5 | 0 | 0 | 112.7 | F183 I184 | E181-F183 PolarHBondContact O-N 3.45Å; E181-I184 HydrophobicContact CB-CD1 4.05Å; E181-I184 HydrophobicContact CG-CD1 3.97Å; E181-I184 WeakPolarHBondContact O-CB 3.38Å; E181-I184 WeakPolarHBondContact O-CG1 3.46Å; E181-I184 PolarHBondContact O-N 3.01Å |
| 182 | S | 41.2 | Very low | 46 | Very low | 65 Ų | 65 | 106.7 Ų | 106.7 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -67.9 | -9.8 | 174.5 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | P180 | P180-S182 WeakPolarHBondContact CB-OG 3.35Å; P180-S182 PolarHBondContact O-N 3.41Å |
| 183 | F | 42.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -97.6 | -1.9 | 171.2 | -82.2 | -135.5 | 0 | 0 | 0 | 111.6 | V179 P180 E181 Y192 | V179-F183 HydrophobicContact CG1-CB 3.37Å; V179-F183 HydrophobicContact CG1-CD1 3.6Å; V179-F183 HydrophobicContact CG1-CG 3.66Å; P180-F183 PolarHBondContact O-N 2.68Å; E181-F183 PolarHBondContact O-N 3.45Å; F183-Y192 VanDerWaalsContact CE1-CB 3.41Å |
| 184 | I | 52.8 | Low | 45.8 | Very low | 88 Ų | 88 | 102.1 Ų | 102.1 | 45% | 0.451 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -75.5 | 135 | 173.7 | -57.5 | 174.9 | 0 | 0 | 0 | 107.8 | E181 T186 | E181-I184 HydrophobicContact CB-CD1 4.05Å; E181-I184 HydrophobicContact CG-CD1 3.97Å; E181-I184 WeakPolarHBondContact O-CB 3.38Å; E181-I184 WeakPolarHBondContact O-CG1 3.46Å; E181-I184 PolarHBondContact O-N 3.01Å; I184-T186 PolarHBondContact O-N 3.07Å |
| 185 | P | 46.3 | Very low | 46.4 | Very low | 110 Ų | 110 | 95.5 Ų | 95.5 | 71% | 0.714 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 5.5 | -165.7 | -19.3 | 31.8 | 0 | 0 | 0 | 116.6 | G187 | P185-G187 VanDerWaalsContact C-N 3.31Å; P185-G187 PolarHBondContact O-N 2.66Å |
| 186 | T | 48.1 | Very low | 47.2 | Very low | 109 Ų | 109 | 94.5 Ų | 94.5 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 1.3 | -172.1 | 44.3 | 0 | 0 | 0 | 0 | 114.4 | I184 | I184-T186 PolarHBondContact O-N 3.07Š|
| 187 | G | 42 | Very low | 47.5 | Very low | 45 Ų | 45 | 93.6 Ų | 93.6 | 46% | 0.464 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -115.8 | 169.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | P185 G189 | P185-G187 VanDerWaalsContact C-N 3.31Å; P185-G187 PolarHBondContact O-N 2.66Å; G187-G189 PolarHBondContact O-N 3.28Å |
| 188 | P | 37.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 84.6 Ų | 84.6 | 71% | 0.714 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -55.6 | 134.8 | 174.5 | 24 | -31.8 | 0 | 0 | 0 | 109.7 | Q190 | P188-Q190 WeakPolarHBondContact O-CG 3.3Å; P188-Q190 PolarHBondContact O-N 3.38Å |
| 189 | G | 45.5 | Very low | 48.8 | Very low | 84 Ų | 84 | 85.1 Ų | 85.1 | 87% | 0.866 | 51% | 0.507 | S | S | * | . | trans | -44.9 | 111.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G187 | G187-G189 PolarHBondContact O-N 3.28Š| ||
| 190 | Q | 47.4 | Very low | 48.7 | Very low | 130 Ų | 130 | 84 Ų | 84 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | trans | -103.3 | 151.7 | -175 | -68.4 | -134.7 | 3.2 | 0 | 0 | 112.5 | P188 Y192 | P188-Q190 WeakPolarHBondContact O-CG 3.3Å; P188-Q190 PolarHBondContact O-N 3.38Å; Q190-Y192 PolarHBondContact O-N 2.91Å | ||
| 191 | N | 48.2 | Very low | 48.6 | Very low | 103 Ų | 103 | 89 Ų | 89 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | trans | -83 | 110.3 | -169.2 | -61.9 | -39.9 | 0 | 0 | 0 | 111.2 | N212 | N191-N212 VanDerWaalsContact C-OD1 3.3Å; N191-N212 WeakPolarHBondContact CA-OD1 3.25Å; N191-N212 PolarHBondContact OD1-ND2 3.09Å | ||
| 192 | Y | 49.1 | Very low | 48.8 | Very low | 108 Ų | 108 | 85 Ų | 85 | 42% | 0.424 | 53% | 0.527 | S | S | . | . | trans | -92.3 | 149.6 | 172.1 | 61.6 | -90.4 | 0 | 0 | 0 | 110.9 | F183 Q190 K211 N212 G213 | F183-Y192 VanDerWaalsContact CE1-CB 3.41Å; Q190-Y192 PolarHBondContact O-N 2.91Å; Y192-K211 CarbonylContact O-C 3.58Å; Y192-K211 VanDerWaalsContact O-CA 3.31Å; Y192-K211 WeakPolarHBondContact O-CA 3.44Å; Y192-N212 HydrophobicContact CE1-CB 4.44Å; Y192-N212 PolarHBondContact N-OD1 3.23Å; Y192-N212 PolarHBondContact O-N 3.25Å; Y192-N212 PolarHBondContact O-OD1 3.05Å; Y192-G213 PolarHBondContact OH-N 3.44Å | ||
| 193 | M | 52.6 | Low | 49.3 | Very low | 68 Ų | 68 | 89.5 Ų | 89.5 | 34% | 0.335 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 129.9 | -174.9 | -169 | 176.2 | -77.3 | 0 | 0 | 112.7 | L209 F210 K211 C225 | M193-L209 HydrophobicContact CE-CD2 3.65Å; M193-L209 HydrophobicContact CE-CG 4.16Å; M193-L209 HydrophobicContact CG-CD1 3.47Å; M193-L209 VanDerWaalsContact CG-CD1 3.47Å; M193-L209 HydrophobicContact CG-CD2 4.18Å; M193-L209 HydrophobicContact CG-CG 3.64Å; M193-L209 HydrophobicContact SD-CD1 3.46Å; M193-L209 WeakPolarHBondContact SD-CD1 3.38Å; M193-L209 HydrophobicContact SD-CD2 3.57Å; M193-L209 VanDerWaalsContact SD-CD2 3.57Å; M193-L209 HydrophobicContact SD-CG 3.67Å; M193-F210 CarbonylContact C-O 3.55Å; M193-F210 WeakPolarHBondContact CA-O 3.48Å; M193-K211 HydrophobicContact CE-CB 4.2Å; M193-K211 HydrophobicContact CE-CD 4.03Å; M193-K211 HydrophobicContact CE-CG 4.05Å; M193-C225 WeakPolarHBondContact CE-SG 3.32Å; M193-C225 HydrophobicContact SD-CB 3.54Å; M193-C225 VanDerWaalsContact SD-CB 3.54Å; M193-C225 PolarHBondContact SD-SG 3.37Å |
| 194 | V | 58.5 | Low | 49.8 | Very low | 56 Ų | 56 | 91.3 Ų | 91.3 | 34% | 0.339 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.8 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | L209 F210 | V194-L209 CarbonylContact O-C 3.57Å; V194-L209 WeakPolarHBondContact O-CA 3.36Å; V194-F210 HydrophobicContact CB-CB 4.12Å; V194-F210 HydrophobicContact CB-CD2 4.32Å; V194-F210 PolarHBondContact N-O 2.87Å; V194-F210 PolarHBondContact O-N 2.87Å |
| 195 | G | 54.6 | Low | 49.8 | Very low | 46 Ų | 46 | 90.8 Ų | 90.8 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I208 | G195-I208 CarbonylContact C-O 3.58Å; G195-I208 WeakPolarHBondContact CA-O 3.4Å |
| 196 | L | 58.5 | Low | 50.2 | Low | 66 Ų | 66 | 91.5 Ų | 91.5 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.7 | 173.1 | -172.9 | 72.6 | 0 | 0 | 0 | 108.6 | L169 V171 V198 I208 | L169-L196 HydrophobicContact CD2-CD2 4.26Å; V171-L196 HydrophobicContact CG1-CD2 4.37Å; V171-L196 HydrophobicContact CG2-CD2 3.56Å; L196-V198 HydrophobicContact CD2-CG2 4.3Å; L196-I208 PolarHBondContact N-O 3.3Å; L196-I208 WeakPolarHBondContact O-CA 3.39Å; L196-I208 WeakPolarHBondContact O-CB 3.29Å; L196-I208 PolarHBondContact O-N 3.31Å; L196-I208 VanDerWaalsContact O-O 3.12Å |
| 197 | Q | 53.2 | Low | 50.7 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 20% | 0.201 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.1 | 167.2 | -71.8 | -135.7 | -37.1 | 0 | 0 | 109.4 | D205 R245 | Q197-D205 HydrophobicContact CB-CB 4.41Å; Q197-D205 PolarHBondContact OE1-OD2 3.32Å; Q197-D205 VanDerWaalsContact OE1-OD2 3.14Å; Q197-R245 VanDerWaalsContact CD-CZ 3.43Å; Q197-R245 VanDerWaalsContact OE1-NH1 3.13Å |
| 198 | V | 54.6 | Low | 51.4 | Low | 33 Ų | 33 | 86.6 Ų | 86.6 | 20% | 0.2 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.2 | 177.6 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | L169 L196 S200 Y206 I208 | L169-V198 HydrophobicContact CD2-CB 4.3Å; L169-V198 HydrophobicContact CD2-CG1 4.01Å; L169-V198 HydrophobicContact CD2-CG2 3.27Å; L196-V198 HydrophobicContact CD2-CG2 4.3Å; V198-S200 PolarHBondContact O-N 3.44Å; V198-Y206 PolarHBondContact N-O 3.45Å; V198-Y206 PolarHBondContact O-N 3.4Å; V198-I208 HydrophobicContact CB-CD1 4.26Å; V198-I208 HydrophobicContact CG2-CB 4.21Å; V198-I208 HydrophobicContact CG2-CD1 3.34Å; V198-I208 HydrophobicContact CG2-CG1 3.79Å |
| 199 | P | 49.5 | Very low | 52.4 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 67% | 0.669 | 47% | 0.465 | S | S | * | . | trans | -64.4 | 112.1 | 171 | 24.6 | -29.5 | 0 | 0 | 0 | 107.6 | ||||
| 200 | S | 47.3 | Very low | 52.8 | Low | 43 Ų | 43 | 79.3 Ų | 79.3 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | trans | -83.5 | 146.9 | 169.7 | 82.4 | 0 | 0 | 0 | 0 | 108.7 | V198 G202 E203 | V198-S200 PolarHBondContact O-N 3.44Å; S200-G202 PolarHBondContact O-N 3.32Å; S200-E203 WeakPolarHBondContact OG-CB 3.26Å | ||
| 201 | L | 43.5 | Very low | 53.1 | Low | 180 Ų | 180 | 76.3 Ų | 76.3 | 94% | 0.942 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -65.8 | 97.2 | 176.4 | -98.4 | 142.6 | 0 | 0 | 0 | 109.8 | ||
| 202 | G | 51 | Low | 53.4 | Low | 84 Ų | 84 | 74.3 Ų | 74.3 | 87% | 0.866 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 99.5 | -0.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | S200 | S200-G202 PolarHBondContact O-N 3.32Š|
| 203 | E | 51.9 | Low | 53.3 | Low | 159 Ų | 159 | 70.7 Ų | 70.7 | 74% | 0.743 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -119.7 | 175 | 175.2 | -55.7 | -177.4 | 153.6 | 0 | 0 | 112.5 | S200 | S200-E203 WeakPolarHBondContact OG-CB 3.26Š|
| 204 | K | 52.4 | Low | 52.9 | Low | 149 Ų | 149 | 71.4 Ų | 71.4 | 65% | 0.648 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -57.5 | 142.4 | 173 | -76 | -177.6 | 169 | -171.7 | 0 | 110.6 | Y206 E252 | K204-Y206 PolarHBondContact O-N 3.44Å; K204-E252 IonicContact NZ-OE1 3.32Å; K204-E252 PolarHBondContact NZ-OE1 2.95Å |
| 205 | D | 53 | Low | 52.3 | Low | 77 Ų | 77 | 72.1 Ų | 72.1 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -47.2 | 124.9 | 177 | -68.6 | -24.9 | 0 | 0 | 0 | 111.4 | Q197 P207 R245 | Q197-D205 HydrophobicContact CB-CB 4.41Å; Q197-D205 PolarHBondContact OE1-OD2 3.32Å; Q197-D205 VanDerWaalsContact OE1-OD2 3.14Å; D205-P207 WeakPolarHBondContact O-CD 3.44Å; D205-R245 IonicContact OD2-CZ 3.14Å; D205-R245 IonicContact OD2-NH1 2.64Å; D205-R245 IonicContact OD2-NH2 3.46Å |
| 206 | Y | 55.6 | Low | 52.3 | Low | 126 Ų | 126 | 72.4 Ų | 72.4 | 49% | 0.494 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117.3 | 179.8 | -162.2 | -95.6 | 0 | 0 | 0 | 110.2 | V198 K204 I208 G217 | V198-Y206 PolarHBondContact N-O 3.45Å; V198-Y206 PolarHBondContact O-N 3.4Å; K204-Y206 PolarHBondContact O-N 3.44Å; Y206-I208 HydrophobicContact CD1-CG1 4.07Å; Y206-I208 PolarHBondContact O-N 2.89Å; Y206-G217 PolarHBondContact OH-O 3.42Å; Y206-G217 VanDerWaalsContact OH-O 3.07Å |
| 207 | P | 58 | Low | 52 | Low | 27 Ų | 27 | 71.2 Ų | 71.2 | 18% | 0.175 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.1 | 173.7 | 28.7 | -30.9 | 0 | 0 | 0 | 109.7 | D205 | D205-P207 WeakPolarHBondContact O-CD 3.44Å |
| 208 | I | 57.6 | Low | 52.4 | Low | 23 Ų | 23 | 72.6 Ų | 72.6 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.4 | 168.5 | -76.5 | -166.8 | 0 | 0 | 0 | 108.8 | L169 G195 L196 V198 Y206 F210 L215 | L169-I208 HydrophobicContact CD2-CD1 4.12Å; G195-I208 CarbonylContact C-O 3.58Å; G195-I208 WeakPolarHBondContact CA-O 3.4Å; L196-I208 PolarHBondContact N-O 3.3Å; L196-I208 WeakPolarHBondContact O-CA 3.39Å; L196-I208 WeakPolarHBondContact O-CB 3.29Å; L196-I208 PolarHBondContact O-N 3.31Å; L196-I208 VanDerWaalsContact O-O 3.12Å; V198-I208 HydrophobicContact CB-CD1 4.26Å; V198-I208 HydrophobicContact CG2-CB 4.21Å; V198-I208 HydrophobicContact CG2-CD1 3.34Å; V198-I208 HydrophobicContact CG2-CG1 3.79Å; Y206-I208 HydrophobicContact CD1-CG1 4.07Å; Y206-I208 PolarHBondContact O-N 2.89Å; I208-F210 HydrophobicContact CG2-CD2 3.82Å; I208-F210 HydrophobicContact CG2-CE2 3.32Å; I208-F210 HydrophobicContact CG2-CZ 3.78Å; I208-L215 HydrophobicContact CB-CD1 4.02Å; I208-L215 HydrophobicContact CD1-CD1 4.01Å; I208-L215 HydrophobicContact CG1-CD1 4.06Å; I208-L215 HydrophobicContact CG2-CD1 3.12Å |
| 209 | L | 58.2 | Low | 52.6 | Low | 9 Ų | 9 | 74 Ų | 74 | 5% | 0.047 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120 | 175.2 | -158.4 | 69 | 0 | 0 | 0 | 109.5 | M193 V194 N216 E221 | M193-L209 HydrophobicContact CE-CD2 3.65Å; M193-L209 HydrophobicContact CE-CG 4.16Å; M193-L209 HydrophobicContact CG-CD1 3.47Å; M193-L209 VanDerWaalsContact CG-CD1 3.47Å; M193-L209 HydrophobicContact CG-CD2 4.18Å; M193-L209 HydrophobicContact CG-CG 3.64Å; M193-L209 HydrophobicContact SD-CD1 3.46Å; M193-L209 WeakPolarHBondContact SD-CD1 3.38Å; M193-L209 HydrophobicContact SD-CD2 3.57Å; M193-L209 VanDerWaalsContact SD-CD2 3.57Å; M193-L209 HydrophobicContact SD-CG 3.67Å; V194-L209 CarbonylContact O-C 3.57Å; V194-L209 WeakPolarHBondContact O-CA 3.36Å; L209-N216 VanDerWaalsContact CB-O 3.3Å; L209-N216 WeakPolarHBondContact CB-O 3.46Å; L209-N216 PolarHBondContact N-O 2.89Å; L209-N216 PolarHBondContact O-N 3.17Å; L209-E221 HydrophobicContact CD2-CB 4.26Å |
| 210 | F | 54.8 | Low | 53.3 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 109.2 | 167.7 | -64.3 | -88 | 0 | 0 | 0 | 108.4 | V171 M193 V194 I208 T214 L215 | V171-F210 HydrophobicContact CB-CE2 4.17Å; V171-F210 HydrophobicContact CB-CZ 4.11Å; V171-F210 HydrophobicContact CG1-CE2 4.25Å; V171-F210 HydrophobicContact CG2-CE2 3.87Å; V171-F210 HydrophobicContact CG2-CZ 3.8Å; M193-F210 CarbonylContact C-O 3.55Å; M193-F210 WeakPolarHBondContact CA-O 3.48Å; V194-F210 HydrophobicContact CB-CB 4.12Å; V194-F210 HydrophobicContact CB-CD2 4.32Å; V194-F210 PolarHBondContact N-O 2.87Å; V194-F210 PolarHBondContact O-N 2.87Å; I208-F210 HydrophobicContact CG2-CD2 3.82Å; I208-F210 HydrophobicContact CG2-CE2 3.32Å; I208-F210 HydrophobicContact CG2-CZ 3.78Å; F210-T214 CarbonylContact C-O 3.44Å; F210-T214 WeakPolarHBondContact CA-O 3.43Å; F210-L215 HydrophobicContact CE1-CB 4.37Å; F210-L215 HydrophobicContact CE1-CD1 4.19Å; F210-L215 HydrophobicContact CZ-CD1 4.23Å |
| 211 | K | 52.9 | Low | 54.2 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 29% | 0.291 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.6 | 171.4 | -174.9 | -177.9 | 176.4 | -176.3 | 0 | 108.3 | Y192 M193 G213 T214 | Y192-K211 CarbonylContact O-C 3.58Å; Y192-K211 VanDerWaalsContact O-CA 3.31Å; Y192-K211 WeakPolarHBondContact O-CA 3.44Å; M193-K211 HydrophobicContact CE-CB 4.2Å; M193-K211 HydrophobicContact CE-CD 4.03Å; M193-K211 HydrophobicContact CE-CG 4.05Å; K211-G213 PolarHBondContact O-N 2.89Å; K211-T214 PolarHBondContact N-O 2.91Å; K211-T214 WeakPolarHBondContact O-CB 3.22Å; K211-T214 PolarHBondContact O-N 3.38Å |
| 212 | N | 54.6 | Low | 55 | Low | 60 Ų | 60 | 65 Ų | 65 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 35.9 | -178.1 | -54.2 | -17.4 | 0 | 0 | 0 | 114 | N191 Y192 T214 | N191-N212 VanDerWaalsContact C-OD1 3.3Å; N191-N212 WeakPolarHBondContact CA-OD1 3.25Å; N191-N212 PolarHBondContact OD1-ND2 3.09Å; Y192-N212 HydrophobicContact CE1-CB 4.44Å; Y192-N212 PolarHBondContact N-OD1 3.23Å; Y192-N212 PolarHBondContact O-N 3.25Å; Y192-N212 PolarHBondContact O-OD1 3.05Å; N212-T214 PolarHBondContact O-N 2.99Å |
| 213 | G | 48 | Very low | 56 | Low | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 3.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y192 K211 | Y192-G213 PolarHBondContact OH-N 3.44Å; K211-G213 PolarHBondContact O-N 2.89Å |
| 214 | T | 44.2 | Very low | 57 | Low | 83 Ų | 83 | 57.1 Ų | 57.1 | 51% | 0.509 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.8 | 172.5 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | F210 K211 N212 | F210-T214 CarbonylContact C-O 3.44Å; F210-T214 WeakPolarHBondContact CA-O 3.43Å; K211-T214 PolarHBondContact N-O 2.91Å; K211-T214 WeakPolarHBondContact O-CB 3.22Å; K211-T214 PolarHBondContact O-N 3.38Å; N212-T214 PolarHBondContact O-N 2.99Å |
| 215 | L | 45 | Very low | 57.7 | Low | 71 Ų | 71 | 51.5 Ų | 51.5 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115 | 178 | 175.4 | 61.5 | 0 | 0 | 0 | 110.7 | I208 F210 | I208-L215 HydrophobicContact CB-CD1 4.02Å; I208-L215 HydrophobicContact CD1-CD1 4.01Å; I208-L215 HydrophobicContact CG1-CD1 4.06Å; I208-L215 HydrophobicContact CG2-CD1 3.12Å; F210-L215 HydrophobicContact CE1-CB 4.37Å; F210-L215 HydrophobicContact CE1-CD1 4.19Å; F210-L215 HydrophobicContact CZ-CD1 4.23Å |
| 216 | N | 54.6 | Low | 58.6 | Low | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131 | 173.9 | -74.1 | -2.3 | 0 | 0 | 0 | 110.3 | L209 E221 | L209-N216 VanDerWaalsContact CB-O 3.3Å; L209-N216 WeakPolarHBondContact CB-O 3.46Å; L209-N216 PolarHBondContact N-O 2.89Å; L209-N216 PolarHBondContact O-N 3.17Å; N216-E221 PolarHBondContact ND2-OE2 3.37Å |
| 217 | G | 51.9 | Low | 59.8 | Low | 40 Ų | 40 | 46.5 Ų | 46.5 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | trans | -104.2 | 45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y206 | Y206-G217 PolarHBondContact OH-O 3.42Å; Y206-G217 VanDerWaalsContact OH-O 3.07Å | ||
| 218 | N | 61.6 | Low | 60.5 | Low | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | trans | -103.9 | 114.1 | -175.6 | -168.4 | -9.5 | 0 | 0 | 0 | 112.5 | S220 E221 A222 | N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact ND2-OG 3.36Å; N218-S220 PolarHBondContact O-N 3.03Å; N218-S220 PolarHBondContact OD1-N 3.21Å; N218-S220 VanDerWaalsContact OD1-N 3.15Å; N218-S220 PolarHBondContact OD1-OG 3.25Å; N218-E221 HydrophobicContact CB-CB 4.32Å; N218-E221 HydrophobicContact CB-CG 4.21Å; N218-E221 PolarHBondContact O-N 3.34Å; N218-A222 PolarHBondContact O-N 2.83Å; N218-A222 VanDerWaalsContact O-N 3.11Å | ||
| 219 | H | 59.5 | Low | 61.1 | Low | 62 Ų | 62 | 54.5 Ų | 54.5 | 29% | 0.287 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.3 | -39.2 | 179.9 | -159.5 | 97.7 | 0 | 0 | 0 | 112.9 | A222 K223 I249 E252 | H219-A222 PolarHBondContact O-N 3.44Å; H219-K223 PolarHBondContact O-N 3.09Å; H219-K223 VanDerWaalsContact O-N 3.09Å; H219-I249 WeakPolarHBondContact NE2-CG2 3.39Å; H219-E252 IonicContact CE1-OE2 2.78Å; H219-E252 PolarHBondContact CE1-OE2 3.46Å; H219-E252 IonicContact NE2-OE2 3.05Å |
| 220 | S | 63.8 | Low | 61.8 | Low | 67 Ų | 67 | 56 Ų | 56 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.9 | -35.2 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 112.9 | N218 A224 | N218-S220 VanDerWaalsContact C-N 3.3Å; N218-S220 PolarHBondContact ND2-OG 3.36Å; N218-S220 PolarHBondContact O-N 3.03Å; N218-S220 PolarHBondContact OD1-N 3.21Å; N218-S220 VanDerWaalsContact OD1-N 3.15Å; N218-S220 PolarHBondContact OD1-OG 3.25Å; S220-A224 PolarHBondContact O-N 3.26Å |
| 221 | E | 65.3 | Low | 62.8 | Low | 67 Ų | 67 | 58.5 Ų | 58.5 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.2 | -40.8 | 175.6 | -67.5 | -170.1 | 167.5 | 0 | 0 | 110.7 | L209 N216 N218 K223 A224 C225 | L209-E221 HydrophobicContact CD2-CB 4.26Å; N216-E221 PolarHBondContact ND2-OE2 3.37Å; N218-E221 HydrophobicContact CB-CB 4.32Å; N218-E221 HydrophobicContact CB-CG 4.21Å; N218-E221 PolarHBondContact O-N 3.34Å; E221-K223 VanDerWaalsContact C-N 3.35Å; E221-K223 PolarHBondContact O-N 3.43Å; E221-A224 PolarHBondContact O-N 3.42Å; E221-C225 PolarHBondContact O-N 2.86Å; E221-C225 VanDerWaalsContact O-N 3.15Å; E221-C225 PolarHBondContact O-SG 3.11Å |
| 222 | A | 61.4 | Low | 63.4 | Low | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N218 H219 C225 Y226 | N218-A222 PolarHBondContact O-N 2.83Å; N218-A222 VanDerWaalsContact O-N 3.11Å; H219-A222 PolarHBondContact O-N 3.44Å; A222-C225 PolarHBondContact O-N 2.94Å; A222-C225 VanDerWaalsContact O-N 3.16Å; A222-Y226 HydrophobicContact CB-CE2 4.32Å; A222-Y226 VanDerWaalsContact O-CD2 3.25Å; A222-Y226 WeakPolarHBondContact O-CD2 3.45Å; A222-Y226 PolarHBondContact O-N 3.42Å |
| 223 | K | 72.6 | Confident | 63.5 | Low | 27 Ų | 27 | 61.9 Ų | 61.9 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.3 | -55.9 | 175.1 | -174.4 | -175 | 176.2 | -179.3 | 0 | 112.4 | H219 E221 C225 Y226 E227 L246 I249 E253 E255 | H219-K223 PolarHBondContact O-N 3.09Å; H219-K223 VanDerWaalsContact O-N 3.09Å; E221-K223 VanDerWaalsContact C-N 3.35Å; E221-K223 PolarHBondContact O-N 3.43Å; K223-C225 PolarHBondContact O-N 3.03Å; K223-C225 VanDerWaalsContact O-N 3.1Å; K223-Y226 PolarHBondContact O-N 3.02Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.25Å; K223-L246 HydrophobicContact CG-CD1 3.98Å; K223-I249 HydrophobicContact CB-CD1 4.41Å; K223-I249 HydrophobicContact CB-CG2 3.95Å; K223-I249 HydrophobicContact CD-CG2 3.92Å; K223-I249 HydrophobicContact CG-CG2 3.83Å; K223-E253 WeakPolarHBondContact CD-OE2 3.44Å; K223-E253 VanDerWaalsContact CE-OE2 3.3Å; K223-E253 WeakPolarHBondContact CE-OE2 3.31Å; K223-E253 IonicContact NZ-OE2 3.93Å; K223-E253 PolarHBondContact NZ-OE2 3.01Å; K223-E255 IonicContact NZ-OE1 3.37Å; K223-E255 PolarHBondContact NZ-OE1 3.35Å |
| 224 | A | 71.3 | Confident | 63.9 | Low | 50 Ų | 50 | 65.2 Ų | 65.2 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.5 | -30 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S220 E221 R228 | S220-A224 PolarHBondContact O-N 3.26Å; E221-A224 PolarHBondContact O-N 3.42Å; A224-R228 VanDerWaalsContact O-CB 3.24Å; A224-R228 WeakPolarHBondContact O-CB 3.43Å; A224-R228 PolarHBondContact O-N 3.23Å |
| 225 | C | 67.6 | Low | 64.4 | Low | 31 Ų | 31 | 68.5 Ų | 68.5 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -78.7 | -40.1 | -179.9 | -64.1 | 0 | 0 | 0 | 0 | 112.7 | M193 E221 A222 K223 R228 T229 | M193-C225 WeakPolarHBondContact CE-SG 3.32Å; M193-C225 HydrophobicContact SD-CB 3.54Å; M193-C225 VanDerWaalsContact SD-CB 3.54Å; M193-C225 PolarHBondContact SD-SG 3.37Å; E221-C225 PolarHBondContact O-N 2.86Å; E221-C225 VanDerWaalsContact O-N 3.15Å; E221-C225 PolarHBondContact O-SG 3.11Å; A222-C225 PolarHBondContact O-N 2.94Å; A222-C225 VanDerWaalsContact O-N 3.16Å; K223-C225 PolarHBondContact O-N 3.03Å; K223-C225 VanDerWaalsContact O-N 3.1Å; C225-R228 PolarHBondContact O-N 3.3Å; C225-T229 PolarHBondContact O-N 2.86Å; C225-T229 PolarHBondContact O-OG1 3.39Å |
| 226 | Y | 72.9 | Confident | 65.1 | Low | 31 Ų | 31 | 67.2 Ų | 67.2 | 12% | 0.122 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 171.4 | -63.4 | -46.6 | 0 | 0 | 0 | 112 | A222 K223 R228 T229 I230 I242 R245 L246 I249 | A222-Y226 HydrophobicContact CB-CE2 4.32Å; A222-Y226 VanDerWaalsContact O-CD2 3.25Å; A222-Y226 WeakPolarHBondContact O-CD2 3.45Å; A222-Y226 PolarHBondContact O-N 3.42Å; K223-Y226 PolarHBondContact O-N 3.02Å; K223-Y226 VanDerWaalsContact O-N 3.15Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.34Å; Y226-T229 PolarHBondContact O-N 2.99Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 2.89Å; Y226-I242 HydrophobicContact CD1-CB 4.5Å; Y226-I242 HydrophobicContact CD1-CG1 4.43Å; Y226-I242 HydrophobicContact CD1-CG2 3.98Å; Y226-I242 HydrophobicContact CG-CG2 4.39Å; Y226-R245 HydrophobicContact CD2-CB 4.34Å; Y226-R245 HydrophobicContact CE1-CB 4.46Å; Y226-R245 HydrophobicContact CE2-CB 3.71Å; Y226-L246 HydrophobicContact CD2-CB 4.42Å; Y226-L246 HydrophobicContact CG-CB 4.42Å; Y226-I249 HydrophobicContact CD2-CD1 3.73Å; Y226-I249 HydrophobicContact CE2-CD1 3.74Å |
| 227 | E | 79.3 | Confident | 65.1 | Low | 67 Ų | 67 | 70.1 Ų | 70.1 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.6 | -47.4 | 174.1 | -72.7 | 176.4 | 163.8 | 0 | 0 | 111.2 | K223 T229 I230 S231 L246 Y250 | K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.43Å; K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.25Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.47Å; E227-I230 PolarHBondContact O-N 3.33Å; E227-S231 PolarHBondContact O-N 3.26Å; E227-L246 HydrophobicContact CG-CD1 4.01Å; E227-L246 HydrophobicContact CG-CD2 4.16Å; E227-Y250 PolarHBondContact OE1-OH 3.01Å |
| 228 | R | 74.3 | Confident | 65.7 | Low | 164 Ų | 164 | 74.8 Ų | 74.8 | 62% | 0.619 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.9 | -44.3 | 176.3 | -169.8 | 171.4 | -177.7 | 145 | 0.3 | 111.2 | A224 C225 Y226 I230 S231 F232 | A224-R228 VanDerWaalsContact O-CB 3.24Å; A224-R228 WeakPolarHBondContact O-CB 3.43Å; A224-R228 PolarHBondContact O-N 3.23Å; C225-R228 PolarHBondContact O-N 3.3Å; Y226-R228 VanDerWaalsContact C-N 3.33Å; Y226-R228 PolarHBondContact O-N 3.34Å; R228-I230 PolarHBondContact O-N 3.44Å; R228-S231 WeakPolarHBondContact O-CB 3.44Å; R228-S231 PolarHBondContact O-N 3.06Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-S231 PolarHBondContact O-OG 3.03Å; R228-F232 HydrophobicContact CG-CD2 3.64Å; R228-F232 HydrophobicContact CG-CE2 3.53Å; R228-F232 VanDerWaalsContact O-CD2 3.26Å; R228-F232 WeakPolarHBondContact O-CD2 3.45Å; R228-F232 PolarHBondContact O-N 3.16Å |
| 229 | T | 68.8 | Low | 66.1 | Low | 55 Ų | 55 | 71.7 Ų | 71.7 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | -177.2 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | C225 Y226 E227 S231 F232 V233 I242 | C225-T229 PolarHBondContact O-N 2.86Å; C225-T229 PolarHBondContact O-OG1 3.39Å; Y226-T229 PolarHBondContact O-N 2.99Å; Y226-T229 VanDerWaalsContact O-N 3.15Å; E227-T229 VanDerWaalsContact C-N 3.32Å; E227-T229 PolarHBondContact O-N 3.47Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 2.87Å; T229-F232 PolarHBondContact O-N 3.31Å; T229-V233 PolarHBondContact O-N 3.35Å; T229-I242 HydrophobicContact CG2-CD1 3.59Å |
| 230 | I | 73.7 | Confident | 66.8 | Low | 40 Ų | 40 | 70.4 Ų | 70.4 | 21% | 0.205 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 174.8 | -65.5 | 170 | 0 | 0 | 0 | 111.4 | Y226 E227 R228 M239 I242 F243 L246 | Y226-I230 WeakPolarHBondContact O-CG1 3.48Å; Y226-I230 PolarHBondContact O-N 2.89Å; E227-I230 PolarHBondContact O-N 3.33Å; R228-I230 PolarHBondContact O-N 3.44Å; I230-M239 HydrophobicContact CG1-CE 4.05Å; I230-I242 HydrophobicContact CD1-CG2 4.12Å; I230-I242 HydrophobicContact CG1-CG2 3.89Å; I230-F243 HydrophobicContact CD1-CD1 3.69Å; I230-F243 HydrophobicContact CD1-CE1 3.6Å; I230-F243 HydrophobicContact CG1-CD1 4.28Å; I230-F243 HydrophobicContact CG1-CE1 3.79Å; I230-F243 HydrophobicContact CG1-CZ 4.38Å; I230-F243 HydrophobicContact CG2-CE1 4.15Å; I230-L246 HydrophobicContact CD1-CD2 3.39Å |
| 231 | S | 75.3 | Confident | 67.2 | Low | 85 Ų | 85 | 73.2 Ų | 73.2 | 59% | 0.594 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.3 | -28.3 | 179.9 | 76.8 | 0 | 0 | 0 | 0 | 114.6 | E227 R228 T229 | E227-S231 PolarHBondContact O-N 3.26Å; R228-S231 WeakPolarHBondContact O-CB 3.44Å; R228-S231 PolarHBondContact O-N 3.06Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-S231 PolarHBondContact O-OG 3.03Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 2.87Å |
| 232 | F | 65.8 | Low | 67.6 | Low | 145 Ų | 145 | 71.5 Ų | 71.5 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -96.6 | -27.7 | -175.9 | -80.7 | -75.8 | 0 | 0 | 0 | 113.5 | R228 T229 | R228-F232 HydrophobicContact CG-CD2 3.64Å; R228-F232 HydrophobicContact CG-CE2 3.53Å; R228-F232 VanDerWaalsContact O-CD2 3.26Å; R228-F232 WeakPolarHBondContact O-CD2 3.45Å; R228-F232 PolarHBondContact O-N 3.16Å; T229-F232 PolarHBondContact O-N 3.31Å |
| 233 | V | 57.6 | Low | 68.7 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | trans | -120.8 | 102.7 | -164.5 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | T229 A236 | T229-V233 PolarHBondContact O-N 3.35Å; V233-A236 HydrophobicContact CB-CB 4.49Å; V233-A236 HydrophobicContact CG1-CB 3.39Å | ||
| 234 | V | 54.8 | Low | 68.8 | Low | 102 Ų | 102 | 70.7 Ų | 70.7 | 62% | 0.618 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -80.5 | -29.1 | 178.8 | -168 | 0 | 0 | 0 | 0 | 111.6 | R269 | V234-R269 PolarHBondContact O-NH1 3.06Å; V234-R269 PolarHBondContact O-NH2 3.48Å |
| 235 | D | 55.2 | Low | 69.2 | Low | 153 Ų | 153 | 70.4 Ų | 70.4 | 82% | 0.818 | 37% | 0.369 | S | S | * | . | trans | -129.6 | 34.8 | -168.7 | -73.6 | -28.7 | 0 | 0 | 0 | 115.4 | ||||
| 236 | A | 59.6 | Low | 69.9 | Low | 44 Ų | 44 | 69.1 Ų | 69.1 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | trans | -72.1 | 133 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V233 E238 M239 | V233-A236 HydrophobicContact CB-CB 4.49Å; V233-A236 HydrophobicContact CG1-CB 3.39Å; A236-E238 PolarHBondContact O-N 3.04Å; A236-M239 HydrophobicContact CB-CG 3.66Å; A236-M239 HydrophobicContact CB-SD 4.21Å | ||
| 237 | S | 54.4 | Low | 70.6 | Confident | 113 Ų | 113 | 67.6 Ų | 67.6 | 79% | 0.79 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.5 | -177.5 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 238 | E | 64.1 | Low | 70.8 | Confident | 137 Ų | 137 | 67.4 Ų | 67.4 | 64% | 0.64 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | 52.8 | -172.8 | -63.3 | -57.5 | 142.6 | 0 | 0 | 113 | A236 | A236-E238 PolarHBondContact O-N 3.04Š|
| 239 | M | 71.6 | Confident | 71.2 | Confident | 9 Ų | 9 | 60 Ų | 60 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | trans | -84.7 | -5.7 | 178.6 | -65.4 | -173.8 | 77.5 | 0 | 0 | 114.6 | I230 A236 F241 I242 F243 R269 | I230-M239 HydrophobicContact CG1-CE 4.05Å; A236-M239 HydrophobicContact CB-CG 3.66Å; A236-M239 HydrophobicContact CB-SD 4.21Å; M239-F241 VanDerWaalsContact C-N 3.35Å; M239-F241 PolarHBondContact O-N 2.94Å; M239-I242 PolarHBondContact O-N 2.85Å; M239-I242 VanDerWaalsContact O-N 3.07Å; M239-F243 HydrophobicContact CB-CD2 3.86Å; M239-F243 HydrophobicContact CB-CE2 3.42Å; M239-F243 VanDerWaalsContact CB-CE2 3.42Å; M239-F243 HydrophobicContact CB-CZ 4.3Å; M239-F243 HydrophobicContact CE-CE1 4.35Å; M239-F243 HydrophobicContact CE-CE2 3.88Å; M239-F243 HydrophobicContact CE-CZ 3.53Å; M239-F243 HydrophobicContact CG-CE2 4.35Å; M239-F243 WeakPolarHBondContact O-CD2 3.24Å; M239-F243 PolarHBondContact O-N 2.98Å; M239-F243 VanDerWaalsContact O-N 3.12Å; M239-F243 HydrophobicContact SD-CE2 4.1Å; M239-F243 HydrophobicContact SD-CZ 4.17Å; M239-R269 PolarHBondContact SD-NH1 3.48Å | ||
| 240 | H | 73 | Confident | 72.3 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -51.7 | -51.6 | -174.3 | 178.3 | 77.7 | 0 | 0 | 0 | 112.2 | I242 F243 L244 S270 S272 T275 | H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.32Å; H240-F243 PolarHBondContact O-N 3.4Å; H240-L244 WeakPolarHBondContact O-CB 3.45Å; H240-L244 PolarHBondContact O-N 3.5Å; H240-S270 PolarHBondContact CE1-O 2.8Å; H240-S270 VanDerWaalsContact ND1-CB 3.34Å; H240-S270 WeakPolarHBondContact ND1-CB 3.49Å; H240-S270 PolarHBondContact ND1-O 2.7Å; H240-S270 VanDerWaalsContact ND1-O 3.11Å; H240-S270 PolarHBondContact ND1-OG 2.81Å; H240-S272 PolarHBondContact CE1-OG 3.24Å; H240-T275 VanDerWaalsContact CE1-CG2 3.45Å; H240-T275 WeakPolarHBondContact CE1-CG2 3.42Å |
| 241 | F | 72.4 | Confident | 73 | Confident | 126 Ų | 126 | 57.3 Ų | 57.3 | 55% | 0.553 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | -179.8 | -66.9 | -72.4 | 0 | 0 | 0 | 112.3 | M239 F243 L244 R245 | M239-F241 VanDerWaalsContact C-N 3.35Å; M239-F241 PolarHBondContact O-N 2.94Å; F241-F243 PolarHBondContact O-N 3.11Å; F241-L244 PolarHBondContact O-N 3.31Å; F241-R245 WeakPolarHBondContact O-CB 3.45Å; F241-R245 WeakPolarHBondContact O-CG 3.35Å; F241-R245 PolarHBondContact O-N 2.86Å |
| 242 | I | 74.8 | Confident | 73.5 | Confident | 32 Ų | 32 | 57 Ų | 57 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 179.9 | -63.7 | 163 | 0 | 0 | 0 | 110.5 | Y226 T229 I230 M239 H240 R245 L246 | Y226-I242 HydrophobicContact CD1-CB 4.5Å; Y226-I242 HydrophobicContact CD1-CG1 4.43Å; Y226-I242 HydrophobicContact CD1-CG2 3.98Å; Y226-I242 HydrophobicContact CG-CG2 4.39Å; T229-I242 HydrophobicContact CG2-CD1 3.59Å; I230-I242 HydrophobicContact CD1-CG2 4.12Å; I230-I242 HydrophobicContact CG1-CG2 3.89Å; M239-I242 PolarHBondContact O-N 2.85Å; M239-I242 VanDerWaalsContact O-N 3.07Å; H240-I242 VanDerWaalsContact C-N 3.34Å; H240-I242 PolarHBondContact O-N 3.32Å; I242-R245 PolarHBondContact O-N 2.9Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 PolarHBondContact O-N 3.44Å |
| 243 | F | 83.1 | Confident | 74.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 178.3 | -66.1 | -64.4 | 0 | 0 | 0 | 112 | I230 M239 H240 F241 R245 G247 T262 Q265 A266 | I230-F243 HydrophobicContact CD1-CD1 3.69Å; I230-F243 HydrophobicContact CD1-CE1 3.6Å; I230-F243 HydrophobicContact CG1-CD1 4.28Å; I230-F243 HydrophobicContact CG1-CE1 3.79Å; I230-F243 HydrophobicContact CG1-CZ 4.38Å; I230-F243 HydrophobicContact CG2-CE1 4.15Å; M239-F243 HydrophobicContact CB-CD2 3.86Å; M239-F243 HydrophobicContact CB-CE2 3.42Å; M239-F243 VanDerWaalsContact CB-CE2 3.42Å; M239-F243 HydrophobicContact CB-CZ 4.3Å; M239-F243 HydrophobicContact CE-CE1 4.35Å; M239-F243 HydrophobicContact CE-CE2 3.88Å; M239-F243 HydrophobicContact CE-CZ 3.53Å; M239-F243 HydrophobicContact CG-CE2 4.35Å; M239-F243 WeakPolarHBondContact O-CD2 3.24Å; M239-F243 PolarHBondContact O-N 2.98Å; M239-F243 VanDerWaalsContact O-N 3.12Å; M239-F243 HydrophobicContact SD-CE2 4.1Å; M239-F243 HydrophobicContact SD-CZ 4.17Å; H240-F243 PolarHBondContact O-N 3.4Å; F241-F243 PolarHBondContact O-N 3.11Å; F243-R245 PolarHBondContact O-N 3.49Å; F243-G247 PolarHBondContact O-N 2.91Å; F243-T262 HydrophobicContact CB-CG2 4.23Å; F243-T262 HydrophobicContact CD1-CG2 3.97Å; F243-T262 WeakPolarHBondContact O-CG2 3.38Å; F243-Q265 HydrophobicContact CD1-CB 4.32Å; F243-Q265 HydrophobicContact CD1-CG 4.32Å; F243-Q265 HydrophobicContact CE1-CB 4.08Å; F243-Q265 HydrophobicContact CE1-CG 3.65Å; F243-Q265 HydrophobicContact CE2-CG 4.25Å; F243-Q265 HydrophobicContact CZ-CB 4.47Å; F243-Q265 HydrophobicContact CZ-CG 3.63Å; F243-Q265 VanDerWaalsContact CZ-NE2 3.27Å; F243-A266 HydrophobicContact CB-CB 3.55Å; F243-A266 HydrophobicContact CG-CB 4.23Å |
| 244 | L | 76 | Confident | 76.4 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.068 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 179.4 | -171.1 | 120.2 | 0 | 0 | 0 | 111.8 | H240 F241 L248 Y263 L274 T275 | H240-L244 WeakPolarHBondContact O-CB 3.45Å; H240-L244 PolarHBondContact O-N 3.5Å; F241-L244 PolarHBondContact O-N 3.31Å; L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 3.33Å; L244-L248 VanDerWaalsContact O-N 3.16Å; L244-Y263 PolarHBondContact O-OH 3.48Å; L244-L274 HydrophobicContact CD1-CB 3.58Å; L244-L274 HydrophobicContact CD1-CD1 4.39Å; L244-T275 HydrophobicContact CD1-CG2 3.96Å |
| 245 | R | 78 | Confident | 78.4 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.8 | -44.8 | 179.7 | -62.7 | -46.2 | 174.4 | -163.9 | 8 | 112.4 | Q197 D205 Y226 F241 I242 F243 G247 L248 I249 | Q197-R245 VanDerWaalsContact CD-CZ 3.43Å; Q197-R245 VanDerWaalsContact OE1-NH1 3.13Å; D205-R245 IonicContact OD2-CZ 3.14Å; D205-R245 IonicContact OD2-NH1 2.64Å; D205-R245 IonicContact OD2-NH2 3.46Å; Y226-R245 HydrophobicContact CD2-CB 4.34Å; Y226-R245 HydrophobicContact CE1-CB 4.46Å; Y226-R245 HydrophobicContact CE2-CB 3.71Å; F241-R245 WeakPolarHBondContact O-CB 3.45Å; F241-R245 WeakPolarHBondContact O-CG 3.35Å; F241-R245 PolarHBondContact O-N 2.86Å; I242-R245 PolarHBondContact O-N 2.9Å; F243-R245 PolarHBondContact O-N 3.49Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.36Å; R245-L248 PolarHBondContact O-N 2.76Å; R245-I249 WeakPolarHBondContact O-CG1 2.97Å; R245-I249 PolarHBondContact O-N 2.93Å |
| 246 | L | 83 | Confident | 80.4 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 177.7 | -179.1 | 60.4 | 0 | 0 | 0 | 111.8 | K223 Y226 E227 I230 I242 L248 I249 Y250 T262 | K223-L246 HydrophobicContact CG-CD1 3.98Å; Y226-L246 HydrophobicContact CD2-CB 4.42Å; Y226-L246 HydrophobicContact CG-CB 4.42Å; E227-L246 HydrophobicContact CG-CD1 4.01Å; E227-L246 HydrophobicContact CG-CD2 4.16Å; I230-L246 HydrophobicContact CD1-CD2 3.39Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.24Å; I242-L246 PolarHBondContact O-N 3.44Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.33Å; L246-I249 PolarHBondContact O-N 3.02Å; L246-Y250 HydrophobicContact CD1-CD2 4.09Å; L246-Y250 HydrophobicContact CD1-CE1 4.46Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CD2-CE2 3.79Å; L246-Y250 HydrophobicContact CG-CD2 3.86Å; L246-Y250 HydrophobicContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact O-CD2 3.26Å; L246-Y250 WeakPolarHBondContact O-CD2 3.49Å; L246-Y250 PolarHBondContact O-N 3.42Å; L246-T262 HydrophobicContact CB-CG2 4.1Å; L246-T262 HydrophobicContact CD2-CG2 4.2Å; L246-T262 HydrophobicContact CG-CG2 4.19Å |
| 247 | G | 88.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | F243 R245 Y250 L251 Y263 | F243-G247 PolarHBondContact O-N 2.91Å; R245-G247 VanDerWaalsContact C-N 3.33Å; R245-G247 PolarHBondContact O-N 3.36Å; G247-Y250 PolarHBondContact O-N 3.41Å; G247-L251 WeakPolarHBondContact O-CG 3.31Å; G247-L251 PolarHBondContact O-N 3.41Å; G247-Y263 VanDerWaalsContact CA-CE2 3.45Å |
| 248 | L | 83.1 | Confident | 84.2 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64 | -45.5 | 177.8 | 179.4 | 63.2 | 0 | 0 | 0 | 111.5 | L244 R245 L246 Y250 L251 E252 Y263 | L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 3.33Å; L244-L248 VanDerWaalsContact O-N 3.16Å; R245-L248 PolarHBondContact O-N 2.76Å; L246-L248 VanDerWaalsContact C-N 3.3Å; L246-L248 PolarHBondContact O-N 3.33Å; L248-Y250 VanDerWaalsContact C-N 3.3Å; L248-Y250 PolarHBondContact O-N 3.34Å; L248-L251 WeakPolarHBondContact O-CB 3.35Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-L251 VanDerWaalsContact O-N 3.08Å; L248-E252 HydrophobicContact CD1-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.13Å; L248-E252 PolarHBondContact O-N 3.4Å; L248-Y263 WeakPolarHBondContact CA-OH 3.5Å; L248-Y263 PolarHBondContact N-OH 3.3Å |
| 249 | I | 82 | Confident | 85.8 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56 | -47.4 | 175.5 | -70 | 169.2 | 0 | 0 | 0 | 110.5 | H219 K223 Y226 R245 L246 L251 E252 E253 | H219-I249 WeakPolarHBondContact NE2-CG2 3.39Å; K223-I249 HydrophobicContact CB-CD1 4.41Å; K223-I249 HydrophobicContact CB-CG2 3.95Å; K223-I249 HydrophobicContact CD-CG2 3.92Å; K223-I249 HydrophobicContact CG-CG2 3.83Å; Y226-I249 HydrophobicContact CD2-CD1 3.73Å; Y226-I249 HydrophobicContact CE2-CD1 3.74Å; R245-I249 WeakPolarHBondContact O-CG1 2.97Å; R245-I249 PolarHBondContact O-N 2.93Å; L246-I249 PolarHBondContact O-N 3.02Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 3.25Å; I249-E252 PolarHBondContact O-N 3.06Å; I249-E253 WeakPolarHBondContact O-CB 3.19Å; I249-E253 WeakPolarHBondContact O-CG 3.45Å; I249-E253 PolarHBondContact O-N 3.14Å |
| 250 | Y | 92.6 | Very high | 87.1 | Confident | 17 Ų | 17 | 47.3 Ų | 47.3 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 177.1 | -73 | -47.7 | 0 | 0 | 0 | 113.1 | E227 L246 G247 L248 K254 E255 K258 | E227-Y250 PolarHBondContact OE1-OH 3.01Å; L246-Y250 HydrophobicContact CD1-CD2 4.09Å; L246-Y250 HydrophobicContact CD1-CE1 4.46Å; L246-Y250 HydrophobicContact CD1-CE2 3.63Å; L246-Y250 HydrophobicContact CD2-CE2 3.79Å; L246-Y250 HydrophobicContact CG-CD2 3.86Å; L246-Y250 HydrophobicContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact CG-CE2 3.44Å; L246-Y250 VanDerWaalsContact O-CD2 3.26Å; L246-Y250 WeakPolarHBondContact O-CD2 3.49Å; L246-Y250 PolarHBondContact O-N 3.42Å; G247-Y250 PolarHBondContact O-N 3.41Å; L248-Y250 VanDerWaalsContact C-N 3.3Å; L248-Y250 PolarHBondContact O-N 3.34Å; Y250-K254 PolarHBondContact O-N 3.41Å; Y250-K254 VanDerWaalsContact O-N 3.15Å; Y250-E255 HydrophobicContact CD1-CB 3.9Å; Y250-E255 HydrophobicContact CG-CB 4.46Å; Y250-E255 WeakPolarHBondContact O-CA 3.33Å; Y250-E255 PolarHBondContact O-N 3.48Å; Y250-K258 HydrophobicContact CD1-CB 3.8Å; Y250-K258 HydrophobicContact CD1-CD 3.98Å; Y250-K258 HydrophobicContact CD2-CB 3.7Å; Y250-K258 HydrophobicContact CE1-CB 3.78Å; Y250-K258 HydrophobicContact CE1-CD 3.33Å; Y250-K258 HydrophobicContact CE1-CG 4.24Å; Y250-K258 HydrophobicContact CE2-CB 3.71Å; Y250-K258 HydrophobicContact CE2-CD 4.4Å; Y250-K258 HydrophobicContact CG-CB 3.74Å |
| 251 | L | 88.9 | Confident | 88.2 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 173.2 | -73.6 | 177.9 | 0 | 0 | 0 | 111.7 | G247 L248 I249 K254 Y256 A259 Y263 I281 A282 | G247-L251 WeakPolarHBondContact O-CG 3.31Å; G247-L251 PolarHBondContact O-N 3.41Å; L248-L251 WeakPolarHBondContact O-CB 3.35Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-L251 VanDerWaalsContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.31Å; I249-L251 PolarHBondContact O-N 3.25Å; L251-K254 PolarHBondContact O-N 2.9Å; L251-K254 VanDerWaalsContact O-N 3.1Å; L251-Y256 HydrophobicContact CD2-CD1 3.98Å; L251-Y256 HydrophobicContact CD2-CE1 4.49Å; L251-A259 HydrophobicContact CD2-CB 3.73Å; L251-A259 HydrophobicContact CG-CB 3.88Å; L251-Y263 HydrophobicContact CD1-CE2 3.73Å; L251-Y263 HydrophobicContact CG-CE2 4.13Å; L251-I281 HydrophobicContact CD1-CB 4.16Å; L251-I281 HydrophobicContact CD1-CG2 3.96Å; L251-I281 HydrophobicContact CD2-CG2 3.96Å; L251-A282 HydrophobicContact CD2-CB 3.9Å |
| 252 | E | 86.3 | Confident | 89.1 | Confident | 78 Ų | 78 | 47 Ų | 47 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.3 | -38.7 | -179.7 | -69.4 | -173.2 | 151.9 | 0 | 0 | 112 | K204 H219 L248 I249 K254 | K204-E252 IonicContact NZ-OE1 3.32Å; K204-E252 PolarHBondContact NZ-OE1 2.95Å; H219-E252 IonicContact CE1-OE2 2.78Å; H219-E252 PolarHBondContact CE1-OE2 3.46Å; H219-E252 IonicContact NE2-OE2 3.05Å; L248-E252 HydrophobicContact CD1-CG 4.42Å; L248-E252 WeakPolarHBondContact O-CG 3.13Å; L248-E252 PolarHBondContact O-N 3.4Å; I249-E252 PolarHBondContact O-N 3.06Å; E252-K254 PolarHBondContact O-N 3.22Å |
| 253 | E | 89.7 | Confident | 90.1 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 34% | 0.341 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2.1 | 174 | -66.9 | -176.7 | 158.7 | 0 | 0 | 113.5 | K223 I249 E255 | K223-E253 WeakPolarHBondContact CD-OE2 3.44Å; K223-E253 VanDerWaalsContact CE-OE2 3.3Å; K223-E253 WeakPolarHBondContact CE-OE2 3.31Å; K223-E253 IonicContact NZ-OE2 3.93Å; K223-E253 PolarHBondContact NZ-OE2 3.01Å; I249-E253 WeakPolarHBondContact O-CB 3.19Å; I249-E253 WeakPolarHBondContact O-CG 3.45Å; I249-E253 PolarHBondContact O-N 3.14Å; E253-E255 HydrophobicContact CB-CG 4.39Å; E253-E255 PolarHBondContact O-N 3.32Å |
| 254 | K | 94.4 | Very high | 90.7 | Very high | 149 Ų | 149 | 49.5 Ų | 49.5 | 65% | 0.648 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 21.2 | -179.4 | -48.3 | -176 | 179 | -179.9 | 0 | 114.4 | Y250 L251 E252 Y256 | Y250-K254 PolarHBondContact O-N 3.41Å; Y250-K254 VanDerWaalsContact O-N 3.15Å; L251-K254 PolarHBondContact O-N 2.9Å; L251-K254 VanDerWaalsContact O-N 3.1Å; E252-K254 PolarHBondContact O-N 3.22Å; K254-Y256 HydrophobicContact CB-CE1 4.17Å; K254-Y256 HydrophobicContact CB-CE2 3.99Å; K254-Y256 WeakPolarHBondContact CG-OH 3.34Å; K254-Y256 WeakPolarHBondContact O-CD2 3.23Å; K254-Y256 PolarHBondContact O-N 2.8Å; K254-Y256 VanDerWaalsContact O-N 3.08Å |
| 255 | E | 96.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | trans | -84.1 | 60.2 | 172.7 | -65 | -159.1 | -117.6 | 0 | 0 | 111.1 | K223 Y250 E253 E257 K258 A259 | K223-E255 IonicContact NZ-OE1 3.37Å; K223-E255 PolarHBondContact NZ-OE1 3.35Å; Y250-E255 HydrophobicContact CD1-CB 3.9Å; Y250-E255 HydrophobicContact CG-CB 4.46Å; Y250-E255 WeakPolarHBondContact O-CA 3.33Å; Y250-E255 PolarHBondContact O-N 3.48Å; E253-E255 HydrophobicContact CB-CG 4.39Å; E253-E255 PolarHBondContact O-N 3.32Å; E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E255-K258 HydrophobicContact CB-CB 4.41Å; E255-K258 PolarHBondContact O-N 3.41Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 WeakPolarHBondContact OE2-CD 3.2Å; E255-K258 WeakPolarHBondContact OE2-CE 3.11Å; E255-K258 IonicContact OE2-NZ 3.56Å; E255-K258 PolarHBondContact OE2-NZ 2.72Å; E255-A259 PolarHBondContact O-N 2.93Å | ||
| 256 | Y | 97.6 | Very high | 91.8 | Very high | 56 Ų | 56 | 50 Ų | 50 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -34.4 | -167.7 | -52.4 | -55.2 | 0 | 0 | 0 | 114.4 | L251 K254 K258 A259 K260 R285 | L251-Y256 HydrophobicContact CD2-CD1 3.98Å; L251-Y256 HydrophobicContact CD2-CE1 4.49Å; K254-Y256 HydrophobicContact CB-CE1 4.17Å; K254-Y256 HydrophobicContact CB-CE2 3.99Å; K254-Y256 WeakPolarHBondContact CG-OH 3.34Å; K254-Y256 WeakPolarHBondContact O-CD2 3.23Å; K254-Y256 PolarHBondContact O-N 2.8Å; K254-Y256 VanDerWaalsContact O-N 3.08Å; Y256-K258 VanDerWaalsContact C-N 3.35Å; Y256-K258 PolarHBondContact O-N 2.99Å; Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 2.88Å; Y256-K260 WeakPolarHBondContact O-CB 3.19Å; Y256-K260 PolarHBondContact O-N 3.43Å; Y256-R285 HydrophobicContact CD1-CB 3.67Å; Y256-R285 HydrophobicContact CD1-CG 4.11Å; Y256-R285 HydrophobicContact CD2-CB 3.85Å; Y256-R285 HydrophobicContact CE1-CB 3.71Å; Y256-R285 HydrophobicContact CE1-CG 3.78Å; Y256-R285 HydrophobicContact CE2-CB 3.88Å; Y256-R285 HydrophobicContact CG-CB 3.75Å |
| 257 | E | 98.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.8 | -39.8 | 175.4 | -81.3 | -66.6 | 177.5 | 0 | 0 | 113 | E255 K261 L286 | E255-E257 VanDerWaalsContact C-N 3.31Å; E255-E257 PolarHBondContact O-N 2.74Å; E257-K261 WeakPolarHBondContact O-CG 3.06Å; E257-K261 PolarHBondContact O-N 3.43Å; E257-L286 HydrophobicContact CG-CD1 4.48Å; E257-L286 HydrophobicContact CG-CD2 4.01Å |
| 258 | K | 96.1 | Very high | 92.4 | Very high | 85 Ų | 85 | 58.4 Ų | 58.4 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72 | -42.3 | 175.9 | -65.9 | -171.4 | -173 | 163.7 | 0 | 110.2 | Y250 E255 Y256 K260 K261 T262 | Y250-K258 HydrophobicContact CD1-CB 3.8Å; Y250-K258 HydrophobicContact CD1-CD 3.98Å; Y250-K258 HydrophobicContact CD2-CB 3.7Å; Y250-K258 HydrophobicContact CE1-CB 3.78Å; Y250-K258 HydrophobicContact CE1-CD 3.33Å; Y250-K258 HydrophobicContact CE1-CG 4.24Å; Y250-K258 HydrophobicContact CE2-CB 3.71Å; Y250-K258 HydrophobicContact CE2-CD 4.4Å; Y250-K258 HydrophobicContact CG-CB 3.74Å; E255-K258 HydrophobicContact CB-CB 4.41Å; E255-K258 PolarHBondContact O-N 3.41Å; E255-K258 IonicContact OE1-NZ 2.66Å; E255-K258 WeakPolarHBondContact OE2-CD 3.2Å; E255-K258 WeakPolarHBondContact OE2-CE 3.11Å; E255-K258 IonicContact OE2-NZ 3.56Å; E255-K258 PolarHBondContact OE2-NZ 2.72Å; Y256-K258 VanDerWaalsContact C-N 3.35Å; Y256-K258 PolarHBondContact O-N 2.99Å; K258-K260 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.01Å; K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.04Å; K258-T262 PolarHBondContact O-OG1 3.17Å |
| 259 | A | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.7 | -50.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L251 E255 Y256 K261 T262 Y263 A282 | L251-A259 HydrophobicContact CD2-CB 3.73Å; L251-A259 HydrophobicContact CG-CB 3.88Å; E255-A259 PolarHBondContact O-N 2.93Å; Y256-A259 WeakPolarHBondContact O-CB 3.39Å; Y256-A259 PolarHBondContact O-N 2.88Å; A259-K261 PolarHBondContact O-N 3.01Å; A259-T262 PolarHBondContact O-N 3.15Å; A259-Y263 HydrophobicContact CB-CD2 4.44Å; A259-Y263 VanDerWaalsContact O-CD2 3.26Å; A259-Y263 WeakPolarHBondContact O-CD2 3.32Å; A259-Y263 PolarHBondContact O-N 3.16Å; A259-A282 HydrophobicContact CB-CB 4.07Å |
| 260 | K | 98.1 | Very high | 92.5 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 15% | 0.148 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -54.1 | -52.4 | 177 | 178.6 | 175.8 | 173.9 | 175.6 | 0 | 111.1 | Y256 K258 T262 Y263 M264 L279 A282 L286 E288 | Y256-K260 WeakPolarHBondContact O-CB 3.19Å; Y256-K260 PolarHBondContact O-N 3.43Å; K258-K260 PolarHBondContact O-N 3.1Å; K260-T262 VanDerWaalsContact C-N 3.35Å; K260-T262 PolarHBondContact O-N 3Å; K260-Y263 PolarHBondContact O-N 2.96Å; K260-M264 HydrophobicContact CG-CG 4.46Å; K260-M264 HydrophobicContact CG-SD 4.21Å; K260-M264 WeakPolarHBondContact O-CB 3.39Å; K260-M264 VanDerWaalsContact O-CG 3.25Å; K260-M264 WeakPolarHBondContact O-CG 3.22Å; K260-M264 PolarHBondContact O-N 3.15Å; K260-L279 HydrophobicContact CB-CD1 4.42Å; K260-L279 HydrophobicContact CG-CD1 3.78Å; K260-A282 HydrophobicContact CB-CB 3.96Å; K260-L286 HydrophobicContact CB-CD1 4.27Å; K260-L286 HydrophobicContact CD-CD1 3.87Å; K260-E288 WeakPolarHBondContact CD-OE2 3.37Å; K260-E288 WeakPolarHBondContact CE-OE2 3.43Å; K260-E288 IonicContact NZ-OE1 2.7Å; K260-E288 PolarHBondContact NZ-OE1 3.31Å; K260-E288 IonicContact NZ-OE2 3.56Å; K260-E288 PolarHBondContact NZ-OE2 3.22Å |
| 261 | K | 96.3 | Very high | 92.3 | Very high | 140 Ų | 140 | 65 Ų | 65 | 61% | 0.609 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 179.3 | -71.5 | 173.7 | -172.2 | 175.1 | 0 | 112.4 | E257 K258 A259 Q265 | E257-K261 WeakPolarHBondContact O-CG 3.06Å; E257-K261 PolarHBondContact O-N 3.43Å; K258-K261 PolarHBondContact O-N 3.01Å; A259-K261 PolarHBondContact O-N 3.01Å; K261-Q265 PolarHBondContact O-N 3.24Å |
| 262 | T | 92.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 65.3 Ų | 65.3 | 8% | 0.08 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 179.4 | -59 | 0 | 0 | 0 | 0 | 111.6 | F243 L246 K258 A259 K260 Q265 A266 | F243-T262 HydrophobicContact CB-CG2 4.23Å; F243-T262 HydrophobicContact CD1-CG2 3.97Å; F243-T262 WeakPolarHBondContact O-CG2 3.38Å; L246-T262 HydrophobicContact CB-CG2 4.1Å; L246-T262 HydrophobicContact CD2-CG2 4.2Å; L246-T262 HydrophobicContact CG-CG2 4.19Å; K258-T262 WeakPolarHBondContact O-CB 3.29Å; K258-T262 PolarHBondContact O-N 3.04Å; K258-T262 PolarHBondContact O-OG1 3.17Å; A259-T262 PolarHBondContact O-N 3.15Å; K260-T262 VanDerWaalsContact C-N 3.35Å; K260-T262 PolarHBondContact O-N 3Å; T262-Q265 PolarHBondContact O-N 3.18Å; T262-A266 PolarHBondContact O-N 3.36Å |
| 263 | Y | 95.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 177.7 | -78.1 | -62.8 | 0 | 0 | 0 | 112.9 | L244 G247 L248 L251 A259 K260 Q265 A266 C267 G278 | L244-Y263 PolarHBondContact O-OH 3.48Å; G247-Y263 VanDerWaalsContact CA-CE2 3.45Å; L248-Y263 WeakPolarHBondContact CA-OH 3.5Å; L248-Y263 PolarHBondContact N-OH 3.3Å; L251-Y263 HydrophobicContact CD1-CE2 3.73Å; L251-Y263 HydrophobicContact CG-CE2 4.13Å; A259-Y263 HydrophobicContact CB-CD2 4.44Å; A259-Y263 VanDerWaalsContact O-CD2 3.26Å; A259-Y263 WeakPolarHBondContact O-CD2 3.32Å; A259-Y263 PolarHBondContact O-N 3.16Å; K260-Y263 PolarHBondContact O-N 2.96Å; Y263-Q265 VanDerWaalsContact C-N 3.27Å; Y263-Q265 PolarHBondContact O-N 2.9Å; Y263-A266 CarbonylContact O-C 3.48Å; Y263-A266 WeakPolarHBondContact O-CA 3.44Å; Y263-A266 VanDerWaalsContact O-CB 3.26Å; Y263-A266 WeakPolarHBondContact O-CB 3.43Å; Y263-A266 PolarHBondContact O-N 2.87Å; Y263-A266 VanDerWaalsContact O-N 3.07Å; Y263-C267 PolarHBondContact O-N 2.93Å; Y263-C267 PolarHBondContact O-SG 2.74Å; Y263-G278 WeakPolarHBondContact CD2-O 3.17Å |
| 264 | M | 95.2 | Very high | 92.2 | Very high | 77 Ų | 77 | 63.1 Ų | 63.1 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 171.8 | -77 | -176.8 | 73.9 | 0 | 0 | 111.9 | K260 A266 K268 L279 | K260-M264 HydrophobicContact CG-CG 4.46Å; K260-M264 HydrophobicContact CG-SD 4.21Å; K260-M264 WeakPolarHBondContact O-CB 3.39Å; K260-M264 VanDerWaalsContact O-CG 3.25Å; K260-M264 WeakPolarHBondContact O-CG 3.22Å; K260-M264 PolarHBondContact O-N 3.15Å; M264-A266 VanDerWaalsContact C-N 3.35Å; M264-K268 WeakPolarHBondContact O-CG 3.2Å; M264-K268 PolarHBondContact O-N 3.46Å; M264-L279 HydrophobicContact CG-CD1 3.61Å; M264-L279 HydrophobicContact CG-CD2 4.01Å |
| 265 | Q | 89.9 | Confident | 91.9 | Very high | 66 Ų | 66 | 56 Ų | 56 | 31% | 0.308 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 174.7 | -170.1 | 172.4 | -2.4 | 0 | 0 | 111.5 | F243 K261 T262 Y263 K268 R269 | F243-Q265 HydrophobicContact CD1-CB 4.32Å; F243-Q265 HydrophobicContact CD1-CG 4.32Å; F243-Q265 HydrophobicContact CE1-CB 4.08Å; F243-Q265 HydrophobicContact CE1-CG 3.65Å; F243-Q265 HydrophobicContact CE2-CG 4.25Å; F243-Q265 HydrophobicContact CZ-CB 4.47Å; F243-Q265 HydrophobicContact CZ-CG 3.63Å; F243-Q265 VanDerWaalsContact CZ-NE2 3.27Å; K261-Q265 PolarHBondContact O-N 3.24Å; T262-Q265 PolarHBondContact O-N 3.18Å; Y263-Q265 VanDerWaalsContact C-N 3.27Å; Y263-Q265 PolarHBondContact O-N 2.9Å; Q265-K268 PolarHBondContact O-N 3.03Å; Q265-R269 PolarHBondContact O-N 3.34Å |
| 266 | A | 88.7 | Confident | 92 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F243 T262 Y263 M264 K268 R269 S270 T275 | F243-A266 HydrophobicContact CB-CB 3.55Å; F243-A266 HydrophobicContact CG-CB 4.23Å; T262-A266 PolarHBondContact O-N 3.36Å; Y263-A266 CarbonylContact O-C 3.48Å; Y263-A266 WeakPolarHBondContact O-CA 3.44Å; Y263-A266 VanDerWaalsContact O-CB 3.26Å; Y263-A266 WeakPolarHBondContact O-CB 3.43Å; Y263-A266 PolarHBondContact O-N 2.87Å; Y263-A266 VanDerWaalsContact O-N 3.07Å; M264-A266 VanDerWaalsContact C-N 3.35Å; A266-K268 VanDerWaalsContact C-N 3.28Å; A266-K268 PolarHBondContact O-N 3.3Å; A266-R269 PolarHBondContact O-N 2.82Å; A266-R269 VanDerWaalsContact O-N 3.11Å; A266-S270 CarbonylContact O-C 3.55Å; A266-S270 PolarHBondContact O-N 3.07Å; A266-T275 HydrophobicContact CB-CG2 3.68Å |
| 267 | C | 92.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -36.2 | -179.5 | -66.5 | 0 | 0 | 0 | 0 | 112.6 | Y263 P271 T275 W276 | Y263-C267 PolarHBondContact O-N 2.93Å; Y263-C267 PolarHBondContact O-SG 2.74Å; C267-P271 WeakPolarHBondContact O-CB 3.49Å; C267-P271 WeakPolarHBondContact O-CD 3.38Å; C267-T275 VanDerWaalsContact SG-C 3.56Å; C267-W276 HydrophobicContact CB-CD2 4.08Å; C267-W276 HydrophobicContact CB-CE3 4.25Å; C267-W276 HydrophobicContact CB-CH2 3.91Å; C267-W276 HydrophobicContact CB-CZ2 3.72Å; C267-W276 HydrophobicContact CB-CZ3 4.17Å |
| 268 | K | 90.3 | Very high | 91.8 | Very high | 171 Ų | 171 | 49 Ų | 49 | 74% | 0.743 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.7 | -34 | 176.9 | -75 | 177.6 | -177.6 | -177.9 | 0 | 113.4 | M264 Q265 A266 | M264-K268 WeakPolarHBondContact O-CG 3.2Å; M264-K268 PolarHBondContact O-N 3.46Å; Q265-K268 PolarHBondContact O-N 3.03Å; A266-K268 VanDerWaalsContact C-N 3.28Å; A266-K268 PolarHBondContact O-N 3.3Å |
| 269 | R | 84.1 | Confident | 91.9 | Very high | 107 Ų | 107 | 45.7 Ų | 45.7 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -93.8 | -43.5 | -173.9 | -71.4 | -177.3 | 173.1 | -138.9 | -4.6 | 112.6 | V234 M239 Q265 A266 | V234-R269 PolarHBondContact O-NH1 3.06Å; V234-R269 PolarHBondContact O-NH2 3.48Å; M239-R269 PolarHBondContact SD-NH1 3.48Å; Q265-R269 PolarHBondContact O-N 3.34Å; A266-R269 PolarHBondContact O-N 2.82Å; A266-R269 VanDerWaalsContact O-N 3.11Å |
| 270 | S | 82.8 | Confident | 91.9 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -150.1 | 79.9 | -174.5 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | H240 A266 S272 | H240-S270 PolarHBondContact CE1-O 2.8Å; H240-S270 VanDerWaalsContact ND1-CB 3.34Å; H240-S270 WeakPolarHBondContact ND1-CB 3.49Å; H240-S270 PolarHBondContact ND1-O 2.7Å; H240-S270 VanDerWaalsContact ND1-O 3.11Å; H240-S270 PolarHBondContact ND1-OG 2.81Å; A266-S270 CarbonylContact O-C 3.55Å; A266-S270 PolarHBondContact O-N 3.07Å; S270-S272 PolarHBondContact O-N 2.76Å |
| 271 | P | 88.6 | Confident | 91.9 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 49% | 0.494 | 22% | 0.219 | S | C | . | . | trans | -66.9 | 131 | -179.6 | 26.3 | -32.4 | 0 | 0 | 0 | 110.8 | C267 | C267-P271 WeakPolarHBondContact O-CB 3.49Å; C267-P271 WeakPolarHBondContact O-CD 3.38Å | ||
| 272 | S | 87.1 | Confident | 92 | Very high | 27 Ų | 27 | 38 Ų | 38 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | trans | -142.8 | 165.6 | 171.1 | 80.3 | 0 | 0 | 0 | 0 | 110.2 | H240 S270 L274 T275 W276 L302 | H240-S272 PolarHBondContact CE1-OG 3.24Å; S270-S272 PolarHBondContact O-N 2.76Å; S272-L274 PolarHBondContact O-N 2.74Å; S272-L274 PolarHBondContact OG-N 3.26Å; S272-T275 PolarHBondContact N-OG1 3.11Å; S272-T275 PolarHBondContact O-N 3.44Å; S272-T275 PolarHBondContact O-OG1 2.97Å; S272-T275 PolarHBondContact OG-N 3.33Å; S272-W276 VanDerWaalsContact O-CD1 3.26Å; S272-W276 PolarHBondContact O-N 2.92Å; S272-W276 VanDerWaalsContact O-N 3.11Å; S272-L302 VanDerWaalsContact C-CD1 3.44Å | ||
| 273 | C | 88.8 | Confident | 92.3 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 10% | 0.095 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -50.9 | -42.2 | 173 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | L277 A299 L302 N303 | C273-L277 WeakPolarHBondContact O-CB 3.46Å; C273-L277 PolarHBondContact O-N 3.21Å; C273-A299 PolarHBondContact SG-O 3.22Å; C273-A299 VanDerWaalsContact SG-O 3.42Å; C273-L302 HydrophobicContact CB-CB 4.15Å; C273-N303 HydrophobicContact CB-CB 3.67Å |
| 274 | L | 87 | Confident | 92.5 | Very high | 91 Ų | 91 | 37.3 Ų | 37.3 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.3 | -34.4 | -176.8 | -61.6 | 177.9 | 0 | 0 | 0 | 113.3 | L244 S272 L277 G278 | L244-L274 HydrophobicContact CD1-CB 3.58Å; L244-L274 HydrophobicContact CD1-CD1 4.39Å; S272-L274 PolarHBondContact O-N 2.74Å; S272-L274 PolarHBondContact OG-N 3.26Å; L274-L277 HydrophobicContact CD2-CD2 4.46Å; L274-G278 PolarHBondContact O-N 3.47Å |
| 275 | T | 88.7 | Confident | 92.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 176.5 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | H240 L244 A266 C267 S272 G278 L279 | H240-T275 VanDerWaalsContact CE1-CG2 3.45Å; H240-T275 WeakPolarHBondContact CE1-CG2 3.42Å; L244-T275 HydrophobicContact CD1-CG2 3.96Å; A266-T275 HydrophobicContact CB-CG2 3.68Å; C267-T275 VanDerWaalsContact SG-C 3.56Å; S272-T275 PolarHBondContact N-OG1 3.11Å; S272-T275 PolarHBondContact O-N 3.44Å; S272-T275 PolarHBondContact O-OG1 2.97Å; S272-T275 PolarHBondContact OG-N 3.33Å; T275-G278 PolarHBondContact O-N 3.31Å; T275-L279 PolarHBondContact O-N 2.95Å |
| 276 | W | 96.9 | Very high | 93 | Very high | 58 Ų | 58 | 35.7 Ų | 35.7 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.3 | -38.5 | 176.6 | -76.9 | 116.3 | 0 | 0 | 0 | 112.3 | C267 S272 L279 G280 A295 E298 A299 L302 | C267-W276 HydrophobicContact CB-CD2 4.08Å; C267-W276 HydrophobicContact CB-CE3 4.25Å; C267-W276 HydrophobicContact CB-CH2 3.91Å; C267-W276 HydrophobicContact CB-CZ2 3.72Å; C267-W276 HydrophobicContact CB-CZ3 4.17Å; S272-W276 VanDerWaalsContact O-CD1 3.26Å; S272-W276 PolarHBondContact O-N 2.92Å; S272-W276 VanDerWaalsContact O-N 3.11Å; W276-L279 HydrophobicContact CE3-CD2 3.83Å; W276-L279 HydrophobicContact CZ3-CD2 3.65Å; W276-L279 PolarHBondContact O-N 3.32Å; W276-G280 PolarHBondContact O-N 3.49Å; W276-A295 WeakPolarHBondContact CB-O 3.34Å; W276-A295 HydrophobicContact CE3-CB 4.02Å; W276-A295 HydrophobicContact CZ3-CB 4.49Å; W276-E298 HydrophobicContact CB-CB 4.34Å; W276-E298 HydrophobicContact CD2-CB 3.68Å; W276-E298 HydrophobicContact CD2-CG 4.34Å; W276-E298 HydrophobicContact CE3-CB 4.07Å; W276-E298 HydrophobicContact CE3-CG 4.43Å; W276-E298 HydrophobicContact CG-CB 3.82Å; W276-E298 HydrophobicContact CZ2-CG 4.42Å; W276-A299 HydrophobicContact CB-CB 3.68Å; W276-L302 VanDerWaalsContact CD1-CD1 3.47Å |
| 277 | L | 96.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -52.1 | 170.6 | 173.7 | 59.1 | 0 | 0 | 0 | 110.4 | C273 L274 L279 G280 I281 L296 A299 E308 V309 Y312 | C273-L277 WeakPolarHBondContact O-CB 3.46Å; C273-L277 PolarHBondContact O-N 3.21Å; L274-L277 HydrophobicContact CD2-CD2 4.46Å; L277-L279 VanDerWaalsContact C-N 3.29Å; L277-L279 PolarHBondContact O-N 2.89Å; L277-G280 WeakPolarHBondContact O-CA 3.43Å; L277-G280 PolarHBondContact O-N 3.14Å; L277-I281 HydrophobicContact CD1-CD1 3.84Å; L277-I281 HydrophobicContact CD1-CG1 3.96Å; L277-I281 HydrophobicContact CG-CD1 3.87Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.12Å; L277-L296 HydrophobicContact CD1-CD2 3.83Å; L277-A299 HydrophobicContact CB-CB 4.3Å; L277-E308 HydrophobicContact CD1-CG 4.43Å; L277-E308 HydrophobicContact CD2-CB 4.13Å; L277-E308 HydrophobicContact CD2-CG 4.18Å; L277-V309 HydrophobicContact CB-CG2 4.15Å; L277-V309 HydrophobicContact CD1-CG2 3.9Å; L277-V309 HydrophobicContact CD2-CG2 4.13Å; L277-V309 HydrophobicContact CG-CG2 4.28Å; L277-Y312 HydrophobicContact CD1-CD2 4.13Å |
| 278 | G | 94.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.8 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y263 L274 T275 A282 | Y263-G278 WeakPolarHBondContact CD2-O 3.17Å; L274-G278 PolarHBondContact O-N 3.47Å; T275-G278 PolarHBondContact O-N 3.31Å; G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.81Å |
| 279 | L | 98.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 172.5 | -178 | 56.1 | 0 | 0 | 0 | 111.8 | K260 M264 T275 W276 L277 I281 A282 C283 A295 | K260-L279 HydrophobicContact CB-CD1 4.42Å; K260-L279 HydrophobicContact CG-CD1 3.78Å; M264-L279 HydrophobicContact CG-CD1 3.61Å; M264-L279 HydrophobicContact CG-CD2 4.01Å; T275-L279 PolarHBondContact O-N 2.95Å; W276-L279 HydrophobicContact CE3-CD2 3.83Å; W276-L279 HydrophobicContact CZ3-CD2 3.65Å; W276-L279 PolarHBondContact O-N 3.32Å; L277-L279 VanDerWaalsContact C-N 3.29Å; L277-L279 PolarHBondContact O-N 2.89Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.3Å; L279-A282 PolarHBondContact O-N 2.88Å; L279-C283 PolarHBondContact O-N 2.87Å; L279-C283 PolarHBondContact O-SG 3.37Å; L279-A295 HydrophobicContact CB-CB 4.17Å; L279-A295 HydrophobicContact CD2-CB 4.12Å; L279-A295 HydrophobicContact CG-CB 3.94Å |
| 280 | G | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | W276 L277 C283 Y284 | W276-G280 PolarHBondContact O-N 3.49Å; L277-G280 WeakPolarHBondContact O-CA 3.43Å; L277-G280 PolarHBondContact O-N 3.14Å; G280-C283 PolarHBondContact O-N 3.35Å; G280-Y284 VanDerWaalsContact O-CB 3.32Å; G280-Y284 WeakPolarHBondContact O-CB 3.28Å; G280-Y284 PolarHBondContact O-N 3.37Å |
| 281 | I | 98.3 | Very high | 95.4 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.067 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.9 | -62.9 | 173.1 | 0 | 0 | 0 | 110.2 | L251 L277 L279 C283 Y284 R285 Y312 | L251-I281 HydrophobicContact CD1-CB 4.16Å; L251-I281 HydrophobicContact CD1-CG2 3.96Å; L251-I281 HydrophobicContact CD2-CG2 3.96Å; L277-I281 HydrophobicContact CD1-CD1 3.84Å; L277-I281 HydrophobicContact CD1-CG1 3.96Å; L277-I281 HydrophobicContact CG-CD1 3.87Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 VanDerWaalsContact O-CG1 3.27Å; L277-I281 WeakPolarHBondContact O-CG1 3.43Å; L277-I281 PolarHBondContact O-N 3.12Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-I281 PolarHBondContact O-N 3.3Å; I281-C283 PolarHBondContact O-N 3.06Å; I281-Y284 PolarHBondContact O-N 2.66Å; I281-R285 HydrophobicContact CG2-CG 4.29Å; I281-R285 VanDerWaalsContact O-CG 3.28Å; I281-R285 WeakPolarHBondContact O-CG 3.12Å; I281-R285 PolarHBondContact O-N 3.09Å; I281-Y312 HydrophobicContact CB-CE1 4.25Å; I281-Y312 HydrophobicContact CD1-CD2 4.03Å; I281-Y312 HydrophobicContact CD1-CE2 3.48Å; I281-Y312 VanDerWaalsContact CD1-CE2 3.48Å; I281-Y312 HydrophobicContact CG1-CD1 4.06Å; I281-Y312 HydrophobicContact CG1-CD2 3.71Å; I281-Y312 HydrophobicContact CG1-CE1 3.82Å; I281-Y312 HydrophobicContact CG1-CE2 3.46Å; I281-Y312 VanDerWaalsContact CG1-CE2 3.46Å; I281-Y312 HydrophobicContact CG1-CG 4.01Å; I281-Y312 HydrophobicContact CG2-CE1 3.92Å |
| 282 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L251 A259 K260 G278 L279 R285 L286 | L251-A282 HydrophobicContact CD2-CB 3.9Å; A259-A282 HydrophobicContact CB-CB 4.07Å; K260-A282 HydrophobicContact CB-CB 3.96Å; G278-A282 WeakPolarHBondContact O-CB 3.4Å; G278-A282 PolarHBondContact O-N 2.81Å; L279-A282 PolarHBondContact O-N 2.88Å; A282-R285 PolarHBondContact O-N 3.37Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.19Å; A282-L286 VanDerWaalsContact O-N 3.08Å |
| 283 | C | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 176.6 | -64.5 | 0 | 0 | 0 | 0 | 112 | L279 G280 I281 R285 L286 E287 E288 E291 A292 | L279-C283 PolarHBondContact O-N 2.87Å; L279-C283 PolarHBondContact O-SG 3.37Å; G280-C283 PolarHBondContact O-N 3.35Å; I281-C283 PolarHBondContact O-N 3.06Å; C283-R285 PolarHBondContact O-N 3.35Å; C283-L286 CarbonylContact O-C 3.59Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.12Å; C283-E287 PolarHBondContact O-N 2.7Å; C283-E288 HydrophobicContact CB-CB 4.25Å; C283-E288 PolarHBondContact O-N 3.05Å; C283-E291 HydrophobicContact CB-CB 4.19Å; C283-A292 HydrophobicContact CB-CB 3.75Å |
| 284 | Y | 98.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 2% | 0.02 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.5 | 174.8 | -90.2 | 0 | 0 | 0 | 111.8 | G280 I281 L286 E287 L289 Y312 L315 V316 K319 | G280-Y284 VanDerWaalsContact O-CB 3.32Å; G280-Y284 WeakPolarHBondContact O-CB 3.28Å; G280-Y284 PolarHBondContact O-N 3.37Å; I281-Y284 PolarHBondContact O-N 2.66Å; Y284-L286 PolarHBondContact O-N 3.38Å; Y284-E287 PolarHBondContact O-N 2.77Å; Y284-L289 HydrophobicContact CD2-CD2 4.1Å; Y284-L289 HydrophobicContact CE2-CD2 4.35Å; Y284-Y312 HydrophobicContact CD1-CD1 4.24Å; Y284-Y312 HydrophobicContact CD1-CE1 4.22Å; Y284-Y312 HydrophobicContact CG-CD1 4.31Å; Y284-L315 HydrophobicContact CD2-CB 4.36Å; Y284-L315 HydrophobicContact CE1-CD1 4.04Å; Y284-L315 HydrophobicContact CE2-CB 3.57Å; Y284-V316 HydrophobicContact CD2-CG2 3.7Å; Y284-V316 HydrophobicContact CE2-CG2 4.36Å; Y284-K319 HydrophobicContact CE2-CD 3.72Å; Y284-K319 HydrophobicContact CE2-CG 4.37Å; Y284-K319 WeakPolarHBondContact OH-CE 3.26Å |
| 285 | R | 98 | Very high | 97.4 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 24% | 0.242 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69 | -21.4 | 178.3 | -64 | -64.4 | -171 | -122.4 | 4.8 | 112.8 | Y256 I281 A282 C283 E287 Y312 E346 | Y256-R285 HydrophobicContact CD1-CB 3.67Å; Y256-R285 HydrophobicContact CD1-CG 4.11Å; Y256-R285 HydrophobicContact CD2-CB 3.85Å; Y256-R285 HydrophobicContact CE1-CB 3.71Å; Y256-R285 HydrophobicContact CE1-CG 3.78Å; Y256-R285 HydrophobicContact CE2-CB 3.88Å; Y256-R285 HydrophobicContact CG-CB 3.75Å; I281-R285 HydrophobicContact CG2-CG 4.29Å; I281-R285 VanDerWaalsContact O-CG 3.28Å; I281-R285 WeakPolarHBondContact O-CG 3.12Å; I281-R285 PolarHBondContact O-N 3.09Å; A282-R285 PolarHBondContact O-N 3.37Å; C283-R285 PolarHBondContact O-N 3.35Å; R285-E287 VanDerWaalsContact C-N 3.32Å; R285-Y312 PolarHBondContact NH2-OH 2.82Å; R285-Y312 VanDerWaalsContact NH2-OH 3.16Å; R285-E346 IonicContact CZ-OE1 2.72Å; R285-E346 IonicContact CZ-OE2 2.65Å; R285-E346 VanDerWaalsContact NH1-CD 3.29Å; R285-E346 IonicContact NH1-OE1 2.8Å; R285-E346 PolarHBondContact NH1-OE1 3.05Å; R285-E346 IonicContact NH1-OE2 3.87Å; R285-E346 PolarHBondContact NH1-OE2 3.4Å; R285-E346 IonicContact NH2-OE1 3.45Å; R285-E346 IonicContact NH2-OE2 2.68Å; R285-E346 PolarHBondContact NH2-OE2 3.08Å |
| 286 | L | 98.3 | Very high | 97.9 | Very high | 46 Ų | 46 | 36.1 Ų | 36.1 | 24% | 0.241 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.9 | 171.2 | -70.2 | 169.1 | 0 | 0 | 0 | 113.5 | E257 K260 A282 C283 Y284 E288 | E257-L286 HydrophobicContact CG-CD1 4.48Å; E257-L286 HydrophobicContact CG-CD2 4.01Å; K260-L286 HydrophobicContact CB-CD1 4.27Å; K260-L286 HydrophobicContact CD-CD1 3.87Å; A282-L286 VanDerWaalsContact O-CG 3.29Å; A282-L286 WeakPolarHBondContact O-CG 3.46Å; A282-L286 PolarHBondContact O-N 3.19Å; A282-L286 VanDerWaalsContact O-N 3.08Å; C283-L286 CarbonylContact O-C 3.59Å; C283-L286 PolarHBondContact O-N 3.44Å; C283-L286 VanDerWaalsContact O-N 3.12Å; Y284-L286 PolarHBondContact O-N 3.38Å; L286-E288 HydrophobicContact CB-CG 4Å; L286-E288 PolarHBondContact O-N 3.41Å |
| 287 | E | 97.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 35.9 Ų | 35.9 | 55% | 0.547 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 19.2 | -173.6 | -55.2 | -66.5 | 164.5 | 0 | 0 | 114.4 | C283 Y284 R285 L289 K319 | C283-E287 PolarHBondContact O-N 2.7Å; Y284-E287 PolarHBondContact O-N 2.77Å; R285-E287 VanDerWaalsContact C-N 3.32Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-L289 VanDerWaalsContact O-N 3.13Å; E287-K319 IonicContact OE1-NZ 3.87Å; E287-K319 PolarHBondContact OE1-NZ 2.94Å; E287-K319 IonicContact OE2-NZ 3.22Å; E287-K319 PolarHBondContact OE2-NZ 3.41Å |
| 288 | E | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | trans | -87.8 | 71.7 | 175 | -62.1 | 173.2 | 147.4 | 0 | 0 | 109.4 | K260 C283 L286 T290 E291 A292 | K260-E288 WeakPolarHBondContact CD-OE2 3.37Å; K260-E288 WeakPolarHBondContact CE-OE2 3.43Å; K260-E288 IonicContact NZ-OE1 2.7Å; K260-E288 PolarHBondContact NZ-OE1 3.31Å; K260-E288 IonicContact NZ-OE2 3.56Å; K260-E288 PolarHBondContact NZ-OE2 3.22Å; C283-E288 HydrophobicContact CB-CB 4.25Å; C283-E288 PolarHBondContact O-N 3.05Å; L286-E288 HydrophobicContact CB-CG 4Å; L286-E288 PolarHBondContact O-N 3.41Å; E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.15Å; E288-E291 HydrophobicContact CB-CB 4.4Å; E288-E291 PolarHBondContact O-N 3.43Å; E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.19Å | ||
| 289 | L | 97.9 | Very high | 98.1 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -32.2 | -167 | -59.8 | -179.7 | 0 | 0 | 0 | 113.8 | Y284 E287 E293 K319 V320 | Y284-L289 HydrophobicContact CD2-CD2 4.1Å; Y284-L289 HydrophobicContact CE2-CD2 4.35Å; E287-L289 VanDerWaalsContact C-N 3.32Å; E287-L289 PolarHBondContact O-N 3.4Å; E287-L289 VanDerWaalsContact O-N 3.13Å; L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 3.12Å; L289-K319 HydrophobicContact CD1-CB 3.8Å; L289-K319 HydrophobicContact CD1-CD 4.44Å; L289-K319 HydrophobicContact CD2-CB 4.3Å; L289-K319 HydrophobicContact CD2-CD 3.87Å; L289-V320 HydrophobicContact CB-CG2 4.22Å; L289-V320 HydrophobicContact CD1-CG2 3.93Å |
| 290 | T | 97.8 | Very high | 98 | Very high | 94 Ų | 94 | 41.1 Ų | 41.1 | 58% | 0.577 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -69 | -49.2 | 178.8 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | E288 A292 E293 D294 | E288-T290 VanDerWaalsContact C-N 3.32Å; E288-T290 PolarHBondContact O-N 3.15Å; T290-A292 VanDerWaalsContact C-N 3.29Å; T290-A292 PolarHBondContact O-N 2.86Å; T290-E293 WeakPolarHBondContact O-CB 3.25Å; T290-E293 PolarHBondContact O-N 3.4Å; T290-D294 PolarHBondContact O-N 3.43Å |
| 291 | E | 97.8 | Very high | 97.9 | Very high | 92 Ų | 92 | 45.2 Ų | 45.2 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.8 | -33.9 | 177.3 | -68.1 | 82 | 170.6 | 0 | 0 | 112.1 | C283 E288 A295 | C283-E291 HydrophobicContact CB-CB 4.19Å; E288-E291 HydrophobicContact CB-CB 4.4Å; E288-E291 PolarHBondContact O-N 3.43Å; E291-A295 WeakPolarHBondContact O-CB 3.36Å; E291-A295 PolarHBondContact O-N 3.3Å |
| 292 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | C283 E288 T290 A295 L296 V316 | C283-A292 HydrophobicContact CB-CB 3.75Å; E288-A292 WeakPolarHBondContact O-CB 3.42Å; E288-A292 PolarHBondContact O-N 3.19Å; T290-A292 VanDerWaalsContact C-N 3.29Å; T290-A292 PolarHBondContact O-N 2.86Å; A292-A295 PolarHBondContact O-N 2.86Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 WeakPolarHBondContact O-CD1 3.49Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.83Å; A292-V316 HydrophobicContact CB-CG2 4.07Å |
| 293 | E | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 51.9 Ų | 51.9 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 177.1 | -178.1 | 166.7 | -164.4 | 0 | 0 | 112.4 | L289 T290 A295 L296 S297 V316 R322 | L289-E293 WeakPolarHBondContact O-CB 3.49Å; L289-E293 PolarHBondContact O-N 3.12Å; T290-E293 WeakPolarHBondContact O-CB 3.25Å; T290-E293 PolarHBondContact O-N 3.4Å; E293-A295 PolarHBondContact O-N 2.8Å; E293-L296 PolarHBondContact O-N 3.11Å; E293-S297 VanDerWaalsContact O-CB 3.3Å; E293-S297 WeakPolarHBondContact O-CB 3.21Å; E293-S297 PolarHBondContact O-N 3.45Å; E293-S297 PolarHBondContact O-OG 2.94Å; E293-V316 HydrophobicContact CB-CG1 4.1Å; E293-R322 IonicContact OE1-CZ 2.72Å; E293-R322 IonicContact OE1-NH1 2.79Å; E293-R322 PolarHBondContact OE1-NH1 3.49Å; E293-R322 IonicContact OE1-NH2 3.62Å; E293-R322 PolarHBondContact OE1-NH2 2.81Å; E293-R322 IonicContact OE2-CZ 3.53Å; E293-R322 IonicContact OE2-NH1 3.63Å; E293-R322 PolarHBondContact OE2-NH1 3.07Å; E293-R322 IonicContact OE2-NH2 3.9Å; E293-R322 PolarHBondContact OE2-NH2 3.41Å |
| 294 | D | 98.2 | Very high | 96.6 | Very high | 101 Ų | 101 | 55.9 Ų | 55.9 | 54% | 0.54 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 179.2 | -72.2 | -18.2 | 0 | 0 | 0 | 110.5 | T290 L296 S297 E298 | T290-D294 PolarHBondContact O-N 3.43Å; D294-L296 PolarHBondContact O-N 3.29Å; D294-S297 PolarHBondContact O-N 3.35Å; D294-E298 PolarHBondContact O-N 3.24Å; D294-E298 VanDerWaalsContact O-N 3.11Å |
| 295 | A | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | W276 L279 E291 A292 E293 S297 E298 A299 | W276-A295 WeakPolarHBondContact CB-O 3.34Å; W276-A295 HydrophobicContact CE3-CB 4.02Å; W276-A295 HydrophobicContact CZ3-CB 4.49Å; L279-A295 HydrophobicContact CB-CB 4.17Å; L279-A295 HydrophobicContact CD2-CB 4.12Å; L279-A295 HydrophobicContact CG-CB 3.94Å; E291-A295 WeakPolarHBondContact O-CB 3.36Å; E291-A295 PolarHBondContact O-N 3.3Å; A292-A295 PolarHBondContact O-N 2.86Å; E293-A295 PolarHBondContact O-N 2.8Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.96Å; A295-E298 PolarHBondContact O-N 2.97Å; A295-A299 PolarHBondContact O-N 3.4Å |
| 296 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.5 | -31.5 | 178 | -69.4 | 165.6 | 0 | 0 | 0 | 112.3 | L277 A292 E293 D294 A299 N300 L313 V316 | L277-L296 HydrophobicContact CD1-CD2 3.83Å; A292-L296 WeakPolarHBondContact O-CB 3.26Å; A292-L296 WeakPolarHBondContact O-CD1 3.49Å; A292-L296 WeakPolarHBondContact O-CG 3.35Å; A292-L296 PolarHBondContact O-N 2.83Å; E293-L296 PolarHBondContact O-N 3.11Å; D294-L296 PolarHBondContact O-N 3.29Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.11Å; L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 PolarHBondContact O-N 3.23Å; L296-L313 HydrophobicContact CB-CD2 3.5Å; L296-L313 HydrophobicContact CB-CG 3.88Å; L296-L313 HydrophobicContact CD1-CD2 4.23Å; L296-L313 HydrophobicContact CD1-CG 4.44Å; L296-V316 HydrophobicContact CD1-CG2 3.87Å |
| 297 | S | 97.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 174.3 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | E293 D294 A295 N300 A301 | E293-S297 VanDerWaalsContact O-CB 3.3Å; E293-S297 WeakPolarHBondContact O-CB 3.21Å; E293-S297 PolarHBondContact O-N 3.45Å; E293-S297 PolarHBondContact O-OG 2.94Å; D294-S297 PolarHBondContact O-N 3.35Å; A295-S297 VanDerWaalsContact C-N 3.32Å; A295-S297 PolarHBondContact O-N 2.96Å; S297-N300 PolarHBondContact O-N 2.81Å; S297-A301 WeakPolarHBondContact O-CB 3.39Å; S297-A301 PolarHBondContact O-N 3.11Å |
| 298 | E | 98.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.463 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 171.4 | -68.6 | -61.7 | 147.3 | 0 | 0 | 111.8 | W276 D294 A295 N300 A301 L302 | W276-E298 HydrophobicContact CB-CB 4.34Å; W276-E298 HydrophobicContact CD2-CB 3.68Å; W276-E298 HydrophobicContact CD2-CG 4.34Å; W276-E298 HydrophobicContact CE3-CB 4.07Å; W276-E298 HydrophobicContact CE3-CG 4.43Å; W276-E298 HydrophobicContact CG-CB 3.82Å; W276-E298 HydrophobicContact CZ2-CG 4.42Å; D294-E298 PolarHBondContact O-N 3.24Å; D294-E298 VanDerWaalsContact O-N 3.11Å; A295-E298 PolarHBondContact O-N 2.97Å; E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 2.92Å; E298-A301 PolarHBondContact O-N 3.05Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.01Å; E298-L302 VanDerWaalsContact O-N 3.12Å |
| 299 | A | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C273 W276 L277 A295 L296 L302 N303 V309 | C273-A299 PolarHBondContact SG-O 3.22Å; C273-A299 VanDerWaalsContact SG-O 3.42Å; W276-A299 HydrophobicContact CB-CB 3.68Å; L277-A299 HydrophobicContact CB-CB 4.3Å; A295-A299 PolarHBondContact O-N 3.4Å; L296-A299 WeakPolarHBondContact O-CB 3.37Å; L296-A299 PolarHBondContact O-N 3.11Å; A299-L302 PolarHBondContact O-N 3.48Å; A299-N303 PolarHBondContact O-N 3.11Å; A299-V309 HydrophobicContact CB-CG1 4.08Å; A299-V309 HydrophobicContact CB-CG2 3.87Å |
| 300 | N | 96.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 178.9 | -170.9 | 39.5 | 0 | 0 | 0 | 112.1 | L296 S297 E298 L302 N303 N304 V309 W310 L313 | L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 PolarHBondContact O-N 3.23Å; S297-N300 PolarHBondContact O-N 2.81Å; E298-N300 VanDerWaalsContact C-N 3.31Å; E298-N300 PolarHBondContact O-N 2.92Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 2.99Å; N300-N303 CarbonylContact O-C 3.52Å; N300-N303 VanDerWaalsContact O-C 3.28Å; N300-N303 PolarHBondContact O-N 2.83Å; N300-N304 WeakPolarHBondContact O-CA 3.04Å; N300-N304 PolarHBondContact O-N 2.89Å; N300-N304 VanDerWaalsContact O-N 3.11Å; N300-N304 WeakPolarHBondContact OD1-CA 3.37Å; N300-V309 HydrophobicContact CB-CG1 3.79Å; N300-W310 WeakPolarHBondContact OD1-CZ2 3.28Å; N300-L313 HydrophobicContact CB-CD1 4.27Å |
| 301 | A | 96.6 | Very high | 95.3 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 70% | 0.702 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.9 | -36.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S297 E298 | S297-A301 WeakPolarHBondContact O-CB 3.39Å; S297-A301 PolarHBondContact O-N 3.11Å; E298-A301 PolarHBondContact O-N 3.05Å |
| 302 | L | 87.9 | Confident | 95.3 | Very high | 93 Ų | 93 | 47 Ų | 47 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.2 | -37.1 | 177.3 | -68.2 | 171.5 | 0 | 0 | 0 | 113.4 | S272 C273 W276 E298 A299 N300 | S272-L302 VanDerWaalsContact C-CD1 3.44Å; C273-L302 HydrophobicContact CB-CB 4.15Å; W276-L302 VanDerWaalsContact CD1-CD1 3.47Å; E298-L302 WeakPolarHBondContact O-CG 3.4Å; E298-L302 PolarHBondContact O-N 3.01Å; E298-L302 VanDerWaalsContact O-N 3.12Å; A299-L302 PolarHBondContact O-N 3.48Å; N300-L302 VanDerWaalsContact C-N 3.27Å; N300-L302 PolarHBondContact O-N 2.99Å |
| 303 | N | 87 | Confident | 95.3 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 25% | 0.251 | S | S | . | . | trans | -151.2 | 100.5 | 174.3 | 178.3 | 9.7 | 0 | 0 | 0 | 111.3 | C273 A299 N300 Y305 N306 | C273-N303 HydrophobicContact CB-CB 3.67Å; A299-N303 PolarHBondContact O-N 3.11Å; N300-N303 CarbonylContact O-C 3.52Å; N300-N303 VanDerWaalsContact O-C 3.28Å; N300-N303 PolarHBondContact O-N 2.83Å; N303-Y305 PolarHBondContact O-N 3.46Å; N303-Y305 WeakPolarHBondContact OD1-CA 3.48Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.36Å; N303-Y305 PolarHBondContact OD1-N 3.37Å; N303-N306 PolarHBondContact O-N 3.05Å | ||
| 304 | N | 92.8 | Very high | 95.3 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1 | 178.5 | 64.2 | -1.4 | 0 | 0 | 0 | 114.4 | N300 W310 | N300-N304 WeakPolarHBondContact O-CA 3.04Å; N300-N304 PolarHBondContact O-N 2.89Å; N300-N304 VanDerWaalsContact O-N 3.11Å; N300-N304 WeakPolarHBondContact OD1-CA 3.37Å; N304-W310 PolarHBondContact O-NE1 2.8Å |
| 305 | Y | 90.4 | Very high | 95.3 | Very high | 177 Ų | 177 | 40.7 Ų | 40.7 | 69% | 0.694 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.5 | 173.9 | -65.7 | -85.6 | 0 | 0 | 0 | 113 | N303 A307 L336 | N303-Y305 PolarHBondContact O-N 3.46Å; N303-Y305 WeakPolarHBondContact OD1-CA 3.48Å; N303-Y305 WeakPolarHBondContact OD1-CB 3.36Å; N303-Y305 PolarHBondContact OD1-N 3.37Å; Y305-A307 PolarHBondContact O-N 3.38Å; Y305-L336 HydrophobicContact CD1-CD2 3.86Å |
| 306 | N | 87.9 | Confident | 95.3 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | trans | -78.8 | 109.1 | 176.5 | -170.4 | -33.1 | 0 | 0 | 0 | 110.7 | N303 E308 V309 W310 | N303-N306 PolarHBondContact O-N 3.05Å; N306-E308 VanDerWaalsContact C-N 3.26Å; N306-E308 PolarHBondContact O-N 3.41Å; N306-E308 WeakPolarHBondContact OD1-CB 3.35Å; N306-E308 PolarHBondContact OD1-N 2.89Å; N306-V309 HydrophobicContact CB-CB 4.25Å; N306-V309 HydrophobicContact CB-CG2 3.77Å; N306-V309 PolarHBondContact O-N 3.1Å; N306-V309 PolarHBondContact OD1-N 2.85Å; N306-W310 VanDerWaalsContact O-CD1 3.29Å; N306-W310 PolarHBondContact O-N 2.94Å | ||
| 307 | A | 92.7 | Very high | 95.3 | Very high | 12 Ų | 12 | 41 Ų | 41 | 10% | 0.099 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -32.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y305 W310 A311 L336 L338 | Y305-A307 PolarHBondContact O-N 3.38Å; A307-W310 PolarHBondContact O-N 3.27Å; A307-A311 PolarHBondContact O-N 2.89Å; A307-L336 HydrophobicContact CB-CB 3.72Å; A307-L338 HydrophobicContact CB-CB 4.13Å; A307-L338 HydrophobicContact CB-CD1 4.29Å |
| 308 | E | 95.3 | Very high | 95.2 | Very high | 61 Ų | 61 | 38.6 Ų | 38.6 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.5 | -36.6 | -178.9 | -165.7 | 176.4 | -177.2 | 0 | 0 | 111.4 | L277 N306 W310 A311 Y312 L338 L343 | L277-E308 HydrophobicContact CD1-CG 4.43Å; L277-E308 HydrophobicContact CD2-CB 4.13Å; L277-E308 HydrophobicContact CD2-CG 4.18Å; N306-E308 VanDerWaalsContact C-N 3.26Å; N306-E308 PolarHBondContact O-N 3.41Å; N306-E308 WeakPolarHBondContact OD1-CB 3.35Å; N306-E308 PolarHBondContact OD1-N 2.89Å; E308-W310 VanDerWaalsContact C-N 3.34Å; E308-W310 PolarHBondContact O-N 3.19Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.21Å; E308-A311 PolarHBondContact O-N 3.5Å; E308-A311 VanDerWaalsContact O-N 3.14Å; E308-Y312 HydrophobicContact CG-CD2 3.98Å; E308-Y312 HydrophobicContact CG-CE2 3.85Å; E308-Y312 WeakPolarHBondContact O-CD2 3.3Å; E308-Y312 PolarHBondContact O-N 2.9Å; E308-L338 HydrophobicContact CB-CD1 4.36Å; E308-L343 HydrophobicContact CG-CD2 3.95Å |
| 309 | V | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -47.3 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L277 A299 N300 N306 A311 Y312 L313 | L277-V309 HydrophobicContact CB-CG2 4.15Å; L277-V309 HydrophobicContact CD1-CG2 3.9Å; L277-V309 HydrophobicContact CD2-CG2 4.13Å; L277-V309 HydrophobicContact CG-CG2 4.28Å; A299-V309 HydrophobicContact CB-CG1 4.08Å; A299-V309 HydrophobicContact CB-CG2 3.87Å; N300-V309 HydrophobicContact CB-CG1 3.79Å; N306-V309 HydrophobicContact CB-CB 4.25Å; N306-V309 HydrophobicContact CB-CG2 3.77Å; N306-V309 PolarHBondContact O-N 3.1Å; N306-V309 PolarHBondContact OD1-N 2.85Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 2.84Å; V309-Y312 PolarHBondContact O-N 3.1Å; V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 WeakPolarHBondContact O-CG 3.22Å; V309-L313 PolarHBondContact O-N 2.78Å |
| 310 | W | 97.9 | Very high | 95.2 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 13% | 0.125 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.2 | -72 | 106.8 | 0 | 0 | 0 | 112.9 | N300 N304 N306 A307 E308 L313 A314 A329 Y332 M333 L336 | N300-W310 WeakPolarHBondContact OD1-CZ2 3.28Å; N304-W310 PolarHBondContact O-NE1 2.8Å; N306-W310 VanDerWaalsContact O-CD1 3.29Å; N306-W310 PolarHBondContact O-N 2.94Å; A307-W310 PolarHBondContact O-N 3.27Å; E308-W310 VanDerWaalsContact C-N 3.34Å; E308-W310 PolarHBondContact O-N 3.19Å; W310-L313 HydrophobicContact CE3-CD1 4.12Å; W310-L313 HydrophobicContact CZ3-CD1 4.37Å; W310-A314 WeakPolarHBondContact O-CB 3.36Å; W310-A314 PolarHBondContact O-N 2.88Å; W310-A329 HydrophobicContact CE3-CB 4.01Å; W310-Y332 HydrophobicContact CD2-CG 4.25Å; W310-Y332 HydrophobicContact CE3-CG 4.47Å; W310-Y332 HydrophobicContact CH2-CD2 4.27Å; W310-Y332 HydrophobicContact CH2-CG 4.39Å; W310-Y332 HydrophobicContact CZ2-CD1 4.39Å; W310-Y332 HydrophobicContact CZ2-CD2 4.49Å; W310-Y332 HydrophobicContact CZ2-CG 4.18Å; W310-Y332 HydrophobicContact CZ3-CD2 4.31Å; W310-M333 HydrophobicContact CB-CB 3.87Å; W310-L336 HydrophobicContact CG-CD1 4.37Å |
| 311 | A | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A307 E308 V309 A314 L315 M333 L338 L343 I347 | A307-A311 PolarHBondContact O-N 2.89Å; E308-A311 VanDerWaalsContact O-CB 3.31Å; E308-A311 WeakPolarHBondContact O-CB 3.21Å; E308-A311 PolarHBondContact O-N 3.5Å; E308-A311 VanDerWaalsContact O-N 3.14Å; V309-A311 VanDerWaalsContact C-N 3.29Å; V309-A311 PolarHBondContact O-N 2.84Å; A311-A314 WeakPolarHBondContact O-CB 3.5Å; A311-A314 PolarHBondContact O-N 3.42Å; A311-L315 PolarHBondContact O-N 2.79Å; A311-M333 HydrophobicContact CB-CE 4.45Å; A311-M333 HydrophobicContact CB-CG 3.83Å; A311-L338 HydrophobicContact CB-CD1 4.32Å; A311-L338 HydrophobicContact CB-CD2 3.92Å; A311-L343 HydrophobicContact CB-CD2 3.55Å; A311-L343 HydrophobicContact CB-CG 4.11Å; A311-I347 HydrophobicContact CB-CD1 3.83Å |
| 312 | Y | 98.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.8 | -33.5 | 178 | -80.4 | -81.3 | 0 | 0 | 0 | 113 | L277 I281 Y284 R285 E308 V309 A314 L315 V316 L343 | L277-Y312 HydrophobicContact CD1-CD2 4.13Å; I281-Y312 HydrophobicContact CB-CE1 4.25Å; I281-Y312 HydrophobicContact CD1-CD2 4.03Å; I281-Y312 HydrophobicContact CD1-CE2 3.48Å; I281-Y312 VanDerWaalsContact CD1-CE2 3.48Å; I281-Y312 HydrophobicContact CG1-CD1 4.06Å; I281-Y312 HydrophobicContact CG1-CD2 3.71Å; I281-Y312 HydrophobicContact CG1-CE1 3.82Å; I281-Y312 HydrophobicContact CG1-CE2 3.46Å; I281-Y312 VanDerWaalsContact CG1-CE2 3.46Å; I281-Y312 HydrophobicContact CG1-CG 4.01Å; I281-Y312 HydrophobicContact CG2-CE1 3.92Å; Y284-Y312 HydrophobicContact CD1-CD1 4.24Å; Y284-Y312 HydrophobicContact CD1-CE1 4.22Å; Y284-Y312 HydrophobicContact CG-CD1 4.31Å; R285-Y312 PolarHBondContact NH2-OH 2.82Å; R285-Y312 VanDerWaalsContact NH2-OH 3.16Å; E308-Y312 HydrophobicContact CG-CD2 3.98Å; E308-Y312 HydrophobicContact CG-CE2 3.85Å; E308-Y312 WeakPolarHBondContact O-CD2 3.3Å; E308-Y312 PolarHBondContact O-N 2.9Å; V309-Y312 PolarHBondContact O-N 3.1Å; Y312-A314 VanDerWaalsContact C-N 3.31Å; Y312-A314 PolarHBondContact O-N 2.85Å; Y312-L315 HydrophobicContact CD1-CD1 3.98Å; Y312-L315 HydrophobicContact CE1-CD1 4.19Å; Y312-L315 PolarHBondContact O-N 3.46Å; Y312-V316 WeakPolarHBondContact O-CG2 2.98Å; Y312-V316 PolarHBondContact O-N 3.49Å; Y312-L343 HydrophobicContact CD2-CD2 4.01Å; Y312-L343 HydrophobicContact CE1-CD1 4.2Å; Y312-L343 HydrophobicContact CE2-CD1 4.04Å; Y312-L343 HydrophobicContact CE2-CD2 3.57Å; Y312-L343 HydrophobicContact CE2-CG 4.49Å |
| 313 | L | 98.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 169.8 | -75.8 | 171.7 | 0 | 0 | 0 | 111.5 | L296 N300 V309 W310 V316 C317 A329 | L296-L313 HydrophobicContact CB-CD2 3.5Å; L296-L313 HydrophobicContact CB-CG 3.88Å; L296-L313 HydrophobicContact CD1-CD2 4.23Å; L296-L313 HydrophobicContact CD1-CG 4.44Å; N300-L313 HydrophobicContact CB-CD1 4.27Å; V309-L313 HydrophobicContact CG1-CD1 4.09Å; V309-L313 WeakPolarHBondContact O-CG 3.22Å; V309-L313 PolarHBondContact O-N 2.78Å; W310-L313 HydrophobicContact CE3-CD1 4.12Å; W310-L313 HydrophobicContact CZ3-CD1 4.37Å; L313-V316 PolarHBondContact O-N 2.88Å; L313-C317 WeakPolarHBondContact O-CB 3.36Å; L313-C317 PolarHBondContact O-N 2.85Å; L313-C317 PolarHBondContact O-SG 3.03Å; L313-A329 HydrophobicContact CB-CB 4.27Å |
| 314 | A | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W310 A311 Y312 V316 C317 L318 A329 | W310-A314 WeakPolarHBondContact O-CB 3.36Å; W310-A314 PolarHBondContact O-N 2.88Å; A311-A314 WeakPolarHBondContact O-CB 3.5Å; A311-A314 PolarHBondContact O-N 3.42Å; Y312-A314 VanDerWaalsContact C-N 3.31Å; Y312-A314 PolarHBondContact O-N 2.85Å; A314-V316 PolarHBondContact O-N 2.87Å; A314-C317 PolarHBondContact O-N 3.25Å; A314-L318 WeakPolarHBondContact O-CB 3.43Å; A314-L318 WeakPolarHBondContact O-CG 2.94Å; A314-L318 PolarHBondContact O-N 2.92Å; A314-A329 HydrophobicContact CB-CB 3.79Å |
| 315 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 175.7 | -75.7 | 177.7 | 0 | 0 | 0 | 112.9 | Y284 A311 Y312 L318 K319 L343 E346 I347 L350 | Y284-L315 HydrophobicContact CD2-CB 4.36Å; Y284-L315 HydrophobicContact CE1-CD1 4.04Å; Y284-L315 HydrophobicContact CE2-CB 3.57Å; A311-L315 PolarHBondContact O-N 2.79Å; Y312-L315 HydrophobicContact CD1-CD1 3.98Å; Y312-L315 HydrophobicContact CE1-CD1 4.19Å; Y312-L315 PolarHBondContact O-N 3.46Å; L315-L318 PolarHBondContact O-N 2.73Å; L315-K319 PolarHBondContact O-N 2.93Å; L315-L343 HydrophobicContact CD1-CD1 3.63Å; L315-E346 HydrophobicContact CD2-CG 4.29Å; L315-I347 HydrophobicContact CD1-CG1 4.22Å; L315-I347 HydrophobicContact CD2-CB 4.24Å; L315-I347 HydrophobicContact CD2-CG1 3.4Å; L315-I347 HydrophobicContact CG-CD1 4.22Å; L315-I347 HydrophobicContact CG-CG1 3.57Å; L315-L350 HydrophobicContact CD2-CD2 3.79Å |
| 316 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | Y284 A292 E293 L296 Y312 L313 A314 L318 K319 V320 | Y284-V316 HydrophobicContact CD2-CG2 3.7Å; Y284-V316 HydrophobicContact CE2-CG2 4.36Å; A292-V316 HydrophobicContact CB-CG2 4.07Å; E293-V316 HydrophobicContact CB-CG1 4.1Å; L296-V316 HydrophobicContact CD1-CG2 3.87Å; Y312-V316 WeakPolarHBondContact O-CG2 2.98Å; Y312-V316 PolarHBondContact O-N 3.49Å; L313-V316 PolarHBondContact O-N 2.88Å; A314-V316 PolarHBondContact O-N 2.87Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 2.94Å; V316-K319 PolarHBondContact O-N 2.87Å; V316-V320 HydrophobicContact CG1-CG2 4.27Å; V316-V320 VanDerWaalsContact O-CG2 3.3Å; V316-V320 WeakPolarHBondContact O-CG2 3.41Å; V316-V320 PolarHBondContact O-N 2.85Å |
| 317 | C | 97.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -38.9 | 179.3 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | L313 A314 V320 G321 R322 E325 A326 | L313-C317 WeakPolarHBondContact O-CB 3.36Å; L313-C317 PolarHBondContact O-N 2.85Å; L313-C317 PolarHBondContact O-SG 3.03Å; A314-C317 PolarHBondContact O-N 3.25Å; C317-V320 PolarHBondContact O-N 2.83Å; C317-G321 PolarHBondContact O-N 3.09Å; C317-R322 HydrophobicContact CB-CB 4.22Å; C317-R322 PolarHBondContact O-N 2.79Å; C317-E325 HydrophobicContact CB-CB 4.31Å; C317-A326 HydrophobicContact CB-CB 3.72Å |
| 318 | L | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 174.8 | -73.3 | 166.8 | 0 | 0 | 0 | 111.5 | A314 L315 V316 G321 A326 I347 L350 Q351 V354 F356 | A314-L318 WeakPolarHBondContact O-CB 3.43Å; A314-L318 WeakPolarHBondContact O-CG 2.94Å; A314-L318 PolarHBondContact O-N 2.92Å; L315-L318 PolarHBondContact O-N 2.73Å; V316-L318 VanDerWaalsContact C-N 3.32Å; V316-L318 PolarHBondContact O-N 2.94Å; L318-G321 PolarHBondContact O-N 2.96Å; L318-A326 HydrophobicContact CD2-CB 4.01Å; L318-A326 HydrophobicContact CG-CB 4.04Å; L318-I347 HydrophobicContact CD1-CG2 4.24Å; L318-L350 HydrophobicContact CB-CD2 3.57Å; L318-L350 HydrophobicContact CB-CG 3.99Å; L318-L350 HydrophobicContact CD1-CB 4.39Å; L318-L350 HydrophobicContact CD1-CD2 4Å; L318-L350 HydrophobicContact CD1-CG 4.21Å; L318-L350 HydrophobicContact CG-CD2 4.43Å; L318-Q351 HydrophobicContact CD1-CG 3.82Å; L318-Q351 HydrophobicContact CD2-CG 3.91Å; L318-V354 HydrophobicContact CD2-CG2 3.75Å; L318-F356 HydrophobicContact CD2-CD2 4.04Å; L318-F356 HydrophobicContact CD2-CE2 3.75Å; L318-F356 HydrophobicContact CD2-CZ 4.29Å; L318-F356 WeakPolarHBondContact CD2-O 3.35Å |
| 319 | K | 97.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 37.7 Ų | 37.7 | 29% | 0.291 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 178.5 | -75.9 | -166.6 | 168.2 | -178.6 | 0 | 113.4 | Y284 E287 L289 L315 V316 G321 L350 | Y284-K319 HydrophobicContact CE2-CD 3.72Å; Y284-K319 HydrophobicContact CE2-CG 4.37Å; Y284-K319 WeakPolarHBondContact OH-CE 3.26Å; E287-K319 IonicContact OE1-NZ 3.87Å; E287-K319 PolarHBondContact OE1-NZ 2.94Å; E287-K319 IonicContact OE2-NZ 3.22Å; E287-K319 PolarHBondContact OE2-NZ 3.41Å; L289-K319 HydrophobicContact CD1-CB 3.8Å; L289-K319 HydrophobicContact CD1-CD 4.44Å; L289-K319 HydrophobicContact CD2-CB 4.3Å; L289-K319 HydrophobicContact CD2-CD 3.87Å; L315-K319 PolarHBondContact O-N 2.93Å; V316-K319 PolarHBondContact O-N 2.87Å; K319-G321 VanDerWaalsContact C-N 3.33Å; K319-L350 HydrophobicContact CG-CD2 3.93Å |
| 320 | V | 96.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -77.4 | -19.2 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | L289 V316 C317 R322 | L289-V320 HydrophobicContact CB-CG2 4.22Å; L289-V320 HydrophobicContact CD1-CG2 3.93Å; V316-V320 HydrophobicContact CG1-CG2 4.27Å; V316-V320 VanDerWaalsContact O-CG2 3.3Å; V316-V320 WeakPolarHBondContact O-CG2 3.41Å; V316-V320 PolarHBondContact O-N 2.85Å; C317-V320 PolarHBondContact O-N 2.83Å; V320-R322 HydrophobicContact CG1-CG 4.13Å |
| 321 | G | 95.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 49% | 0.485 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 18.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | C317 L318 K319 Q323 | C317-G321 PolarHBondContact O-N 3.09Å; L318-G321 PolarHBondContact O-N 2.96Å; K319-G321 VanDerWaalsContact C-N 3.33Å; G321-Q323 PolarHBondContact O-N 3.05Å |
| 322 | R | 96.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | trans | -90.9 | 86.2 | -178.9 | -76.9 | -172.7 | -63.2 | 171.6 | 1.4 | 111 | E293 C317 V320 E325 A326 | E293-R322 IonicContact OE1-CZ 2.72Å; E293-R322 IonicContact OE1-NH1 2.79Å; E293-R322 PolarHBondContact OE1-NH1 3.49Å; E293-R322 IonicContact OE1-NH2 3.62Å; E293-R322 PolarHBondContact OE1-NH2 2.81Å; E293-R322 IonicContact OE2-CZ 3.53Å; E293-R322 IonicContact OE2-NH1 3.63Å; E293-R322 PolarHBondContact OE2-NH1 3.07Å; E293-R322 IonicContact OE2-NH2 3.9Å; E293-R322 PolarHBondContact OE2-NH2 3.41Å; C317-R322 HydrophobicContact CB-CB 4.22Å; C317-R322 PolarHBondContact O-N 2.79Å; V320-R322 HydrophobicContact CG1-CG 4.13Å; R322-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 WeakPolarHBondContact CB-OE2 3.48Å; R322-A326 VanDerWaalsContact O-CB 3.29Å; R322-A326 WeakPolarHBondContact O-CB 3.45Å; R322-A326 PolarHBondContact O-N 2.97Å | ||
| 323 | Q | 94.8 | Very high | 96.1 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 46% | 0.458 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -49.9 | -169.7 | 177.8 | 170.3 | -1.5 | 0 | 0 | 114 | G321 E325 A326 E327 F356 | G321-Q323 PolarHBondContact O-N 3.05Å; Q323-E325 PolarHBondContact O-N 2.88Å; Q323-A326 PolarHBondContact O-N 2.85Å; Q323-E327 WeakPolarHBondContact CG-OE1 3.3Å; Q323-E327 PolarHBondContact NE2-OE1 2.7Å; Q323-E327 WeakPolarHBondContact O-CG 3.22Å; Q323-E327 PolarHBondContact O-N 2.88Å; Q323-F356 HydrophobicContact CB-CD2 3.7Å; Q323-F356 HydrophobicContact CB-CE2 4.06Å; Q323-F356 HydrophobicContact CB-CG 4.19Å; Q323-F356 HydrophobicContact CG-CB 3.96Å; Q323-F356 HydrophobicContact CG-CD2 3.71Å; Q323-F356 HydrophobicContact CG-CG 4.02Å |
| 324 | L | 93.9 | Very high | 95.9 | Very high | 130 Ų | 130 | 49.3 Ų | 49.3 | 68% | 0.681 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.9 | -42.4 | -175.2 | -66.1 | 176.5 | 0 | 0 | 0 | 111.3 | E327 Q328 | L324-E327 PolarHBondContact O-N 2.84Å; L324-Q328 WeakPolarHBondContact O-CB 3.45Å; L324-Q328 PolarHBondContact O-N 3.5Å |
| 325 | E | 95.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 56.6 Ų | 56.6 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68 | -38.4 | 178.4 | -61.6 | 93 | 146.9 | 0 | 0 | 111.7 | C317 R322 Q323 Q328 A329 | C317-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 HydrophobicContact CB-CB 4.31Å; R322-E325 WeakPolarHBondContact CB-OE2 3.48Å; Q323-E325 PolarHBondContact O-N 2.88Å; E325-Q328 PolarHBondContact O-N 2.83Å; E325-A329 WeakPolarHBondContact O-CB 3.47Å; E325-A329 PolarHBondContact O-N 3.03Å |
| 326 | A | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C317 L318 R322 Q323 Q328 A329 Y330 F356 | C317-A326 HydrophobicContact CB-CB 3.72Å; L318-A326 HydrophobicContact CD2-CB 4.01Å; L318-A326 HydrophobicContact CG-CB 4.04Å; R322-A326 VanDerWaalsContact O-CB 3.29Å; R322-A326 WeakPolarHBondContact O-CB 3.45Å; R322-A326 PolarHBondContact O-N 2.97Å; Q323-A326 PolarHBondContact O-N 2.85Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 3.33Å; A326-A329 PolarHBondContact O-N 2.88Å; A326-Y330 VanDerWaalsContact O-CB 3.3Å; A326-Y330 WeakPolarHBondContact O-CB 3.4Å; A326-Y330 PolarHBondContact O-N 3.49Å; A326-F356 HydrophobicContact CB-CD2 4.46Å; A326-F356 HydrophobicContact CB-CE2 4.06Å |
| 327 | E | 95.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 66.8 Ų | 66.8 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 177.6 | -70.6 | 177 | -157.8 | 0 | 0 | 112.1 | Q323 L324 K331 | Q323-E327 WeakPolarHBondContact CG-OE1 3.3Å; Q323-E327 PolarHBondContact NE2-OE1 2.7Å; Q323-E327 WeakPolarHBondContact O-CG 3.22Å; Q323-E327 PolarHBondContact O-N 2.88Å; L324-E327 PolarHBondContact O-N 2.84Å; E327-K331 VanDerWaalsContact O-CG 3.29Å; E327-K331 WeakPolarHBondContact O-CG 3.48Å; E327-K331 PolarHBondContact O-N 2.93Å |
| 328 | Q | 94.6 | Very high | 94.7 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -50.6 | 177 | -177.1 | 172.7 | 1.3 | 0 | 0 | 111.1 | L324 E325 A326 Y330 K331 Y332 | L324-Q328 WeakPolarHBondContact O-CB 3.45Å; L324-Q328 PolarHBondContact O-N 3.5Å; E325-Q328 PolarHBondContact O-N 2.83Å; A326-Q328 VanDerWaalsContact C-N 3.33Å; A326-Q328 PolarHBondContact O-N 3.33Å; Q328-Y330 VanDerWaalsContact C-N 3.3Å; Q328-Y330 PolarHBondContact O-N 3.49Å; Q328-K331 WeakPolarHBondContact O-CB 3.39Å; Q328-K331 PolarHBondContact O-N 2.85Å; Q328-Y332 HydrophobicContact CG-CD2 4.01Å; Q328-Y332 HydrophobicContact CG-CE2 3.91Å; Q328-Y332 VanDerWaalsContact O-CD2 3.3Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.33Å; Q328-Y332 PolarHBondContact O-N 2.8Å; Q328-Y332 VanDerWaalsContact O-N 3.12Å |
| 329 | A | 96 | Very high | 94.2 | Very high | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.033 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W310 L313 A314 E325 A326 K331 Y332 M333 | W310-A329 HydrophobicContact CE3-CB 4.01Å; L313-A329 HydrophobicContact CB-CB 4.27Å; A314-A329 HydrophobicContact CB-CB 3.79Å; E325-A329 WeakPolarHBondContact O-CB 3.47Å; E325-A329 PolarHBondContact O-N 3.03Å; A326-A329 PolarHBondContact O-N 2.88Å; A329-K331 PolarHBondContact O-N 2.84Å; A329-Y332 PolarHBondContact O-N 2.91Å; A329-M333 WeakPolarHBondContact O-CB 3.43Å; A329-M333 PolarHBondContact O-N 3.22Å |
| 330 | Y | 95.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 76.5 Ų | 76.5 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59 | -46 | 174.7 | -176.3 | -90.3 | 0 | 0 | 0 | 112.4 | A326 Q328 Y332 M333 I334 L344 I347 H348 P359 | A326-Y330 VanDerWaalsContact O-CB 3.3Å; A326-Y330 WeakPolarHBondContact O-CB 3.4Å; A326-Y330 PolarHBondContact O-N 3.49Å; Q328-Y330 VanDerWaalsContact C-N 3.3Å; Q328-Y330 PolarHBondContact O-N 3.49Å; Y330-Y332 VanDerWaalsContact C-N 3.31Å; Y330-Y332 PolarHBondContact O-N 2.81Å; Y330-M333 HydrophobicContact CD2-CE 3.54Å; Y330-M333 HydrophobicContact CE2-CE 3.78Å; Y330-M333 HydrophobicContact CG-CE 4.4Å; Y330-M333 PolarHBondContact O-N 2.73Å; Y330-I334 HydrophobicContact CD1-CG1 4.18Å; Y330-I334 HydrophobicContact CE1-CD1 4.35Å; Y330-I334 HydrophobicContact CE1-CG1 3.69Å; Y330-I334 HydrophobicContact CE2-CD1 4.49Å; Y330-I334 HydrophobicContact CE2-CG1 4.45Å; Y330-I334 WeakPolarHBondContact O-CG1 3.42Å; Y330-I334 PolarHBondContact O-N 2.84Å; Y330-L344 HydrophobicContact CE2-CD1 4.45Å; Y330-I347 HydrophobicContact CD2-CG2 3.86Å; Y330-I347 HydrophobicContact CE2-CG2 4.03Å; Y330-H348 AromaticContact CZ-CE1 3.93Å; Y330-H348 PolarHBondContact OH-CE1 2.74Å; Y330-P359 HydrophobicContact CD1-CG 3.83Å; Y330-P359 HydrophobicContact CE1-CG 4.1Å |
| 331 | K | 94.6 | Very high | 93.4 | Very high | 113 Ų | 113 | 80.9 Ų | 80.9 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 176.4 | -76 | 169.5 | -175.6 | 167.4 | 0 | 112.3 | E327 Q328 A329 K335 P359 | E327-K331 VanDerWaalsContact O-CG 3.29Å; E327-K331 WeakPolarHBondContact O-CG 3.48Å; E327-K331 PolarHBondContact O-N 2.93Å; Q328-K331 WeakPolarHBondContact O-CB 3.39Å; Q328-K331 PolarHBondContact O-N 2.85Å; A329-K331 PolarHBondContact O-N 2.84Å; K331-K335 VanDerWaalsContact O-CB 3.3Å; K331-K335 WeakPolarHBondContact O-CB 3.16Å; K331-K335 PolarHBondContact O-N 2.91Å; K331-P359 HydrophobicContact CG-CG 4.16Å |
| 332 | Y | 94.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 82.1 Ų | 82.1 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 177.9 | -84.3 | -79.7 | 0 | 0 | 0 | 112.3 | W310 Q328 A329 Y330 I334 K335 L336 | W310-Y332 HydrophobicContact CD2-CG 4.25Å; W310-Y332 HydrophobicContact CE3-CG 4.47Å; W310-Y332 HydrophobicContact CH2-CD2 4.27Å; W310-Y332 HydrophobicContact CH2-CG 4.39Å; W310-Y332 HydrophobicContact CZ2-CD1 4.39Å; W310-Y332 HydrophobicContact CZ2-CD2 4.49Å; W310-Y332 HydrophobicContact CZ2-CG 4.18Å; W310-Y332 HydrophobicContact CZ3-CD2 4.31Å; Q328-Y332 HydrophobicContact CG-CD2 4.01Å; Q328-Y332 HydrophobicContact CG-CE2 3.91Å; Q328-Y332 VanDerWaalsContact O-CD2 3.3Å; Q328-Y332 WeakPolarHBondContact O-CD2 3.33Å; Q328-Y332 PolarHBondContact O-N 2.8Å; Q328-Y332 VanDerWaalsContact O-N 3.12Å; A329-Y332 PolarHBondContact O-N 2.91Å; Y330-Y332 VanDerWaalsContact C-N 3.31Å; Y330-Y332 PolarHBondContact O-N 2.81Å; Y332-I334 VanDerWaalsContact C-N 3.34Å; Y332-I334 PolarHBondContact O-N 2.85Å; Y332-K335 PolarHBondContact O-N 2.82Å; Y332-L336 WeakPolarHBondContact O-CB 3.25Å; Y332-L336 VanDerWaalsContact O-CG 3.27Å; Y332-L336 WeakPolarHBondContact O-CG 3.35Å; Y332-L336 PolarHBondContact O-N 2.88Å |
| 333 | M | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.7 | -45.6 | 176 | 173.2 | -100.3 | -79.3 | 0 | 0 | 112.2 | W310 A311 A329 Y330 L336 K337 L338 L344 I347 | W310-M333 HydrophobicContact CB-CB 3.87Å; A311-M333 HydrophobicContact CB-CE 4.45Å; A311-M333 HydrophobicContact CB-CG 3.83Å; A329-M333 WeakPolarHBondContact O-CB 3.43Å; A329-M333 PolarHBondContact O-N 3.22Å; Y330-M333 HydrophobicContact CD2-CE 3.54Å; Y330-M333 HydrophobicContact CE2-CE 3.78Å; Y330-M333 HydrophobicContact CG-CE 4.4Å; Y330-M333 PolarHBondContact O-N 2.73Å; M333-L336 PolarHBondContact O-N 3.2Å; M333-K337 PolarHBondContact O-N 2.58Å; M333-L338 HydrophobicContact CE-CD2 4.31Å; M333-L338 HydrophobicContact CG-CB 3.77Å; M333-L338 HydrophobicContact CG-CD2 3.83Å; M333-L338 HydrophobicContact CG-CG 4.31Å; M333-L338 PolarHBondContact O-N 2.89Å; M333-L338 HydrophobicContact SD-CB 3.84Å; M333-L338 HydrophobicContact SD-CD2 3.63Å; M333-L338 HydrophobicContact SD-CG 4.38Å; M333-L344 HydrophobicContact CE-CD1 4.1Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; M333-I347 HydrophobicContact CE-CD1 3.41Å; M333-I347 VanDerWaalsContact CE-CD1 3.41Å; M333-I347 HydrophobicContact CE-CG2 4.32Å |
| 334 | I | 94.4 | Very high | 93.2 | Very high | 82 Ų | 82 | 76.9 Ų | 76.9 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 175.4 | -62.9 | -62.1 | 0 | 0 | 0 | 111.7 | Y330 Y332 L336 K337 L344 | Y330-I334 HydrophobicContact CD1-CG1 4.18Å; Y330-I334 HydrophobicContact CE1-CD1 4.35Å; Y330-I334 HydrophobicContact CE1-CG1 3.69Å; Y330-I334 HydrophobicContact CE2-CD1 4.49Å; Y330-I334 HydrophobicContact CE2-CG1 4.45Å; Y330-I334 WeakPolarHBondContact O-CG1 3.42Å; Y330-I334 PolarHBondContact O-N 2.84Å; Y332-I334 VanDerWaalsContact C-N 3.34Å; Y332-I334 PolarHBondContact O-N 2.85Å; I334-L336 PolarHBondContact O-N 2.88Å; I334-K337 PolarHBondContact O-N 3.27Å; I334-L344 HydrophobicContact CD1-CD1 4.19Å |
| 335 | K | 94.1 | Very high | 93.3 | Very high | 154 Ų | 154 | 73.1 Ų | 73.1 | 67% | 0.67 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.3 | -37.8 | 177.7 | -179.8 | -178.1 | 176.9 | -175.6 | 0 | 111.9 | K331 Y332 K337 | K331-K335 VanDerWaalsContact O-CB 3.3Å; K331-K335 WeakPolarHBondContact O-CB 3.16Å; K331-K335 PolarHBondContact O-N 2.91Å; Y332-K335 PolarHBondContact O-N 2.82Å; K335-K337 VanDerWaalsContact C-N 3.28Å |
| 336 | L | 91.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 72.1 Ų | 72.1 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.1 | 179.4 | -64.2 | 169.8 | 0 | 0 | 0 | 113.5 | Y305 A307 W310 Y332 M333 I334 | Y305-L336 HydrophobicContact CD1-CD2 3.86Å; A307-L336 HydrophobicContact CB-CB 3.72Å; W310-L336 HydrophobicContact CG-CD1 4.37Å; Y332-L336 WeakPolarHBondContact O-CB 3.25Å; Y332-L336 VanDerWaalsContact O-CG 3.27Å; Y332-L336 WeakPolarHBondContact O-CG 3.35Å; Y332-L336 PolarHBondContact O-N 2.88Å; M333-L336 PolarHBondContact O-N 3.2Å; I334-L336 PolarHBondContact O-N 2.88Å |
| 337 | K | 91.4 | Very high | 93.4 | Very high | 168 Ų | 168 | 72.1 Ų | 72.1 | 73% | 0.73 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 63 | 174.2 | -53.5 | 179.2 | 178.5 | -178.3 | 0 | 112.7 | M333 I334 K335 K339 | M333-K337 PolarHBondContact O-N 2.58Å; I334-K337 PolarHBondContact O-N 3.27Å; K335-K337 VanDerWaalsContact C-N 3.28Å; K337-K339 PolarHBondContact O-N 2.79Å |
| 338 | L | 90.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 72.9 Ų | 72.9 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | trans | -50.6 | 127.8 | 167.4 | -177.4 | 69.1 | 0 | 0 | 0 | 110.1 | A307 E308 A311 M333 D340 L343 L344 | A307-L338 HydrophobicContact CB-CB 4.13Å; A307-L338 HydrophobicContact CB-CD1 4.29Å; E308-L338 HydrophobicContact CB-CD1 4.36Å; A311-L338 HydrophobicContact CB-CD1 4.32Å; A311-L338 HydrophobicContact CB-CD2 3.92Å; M333-L338 HydrophobicContact CE-CD2 4.31Å; M333-L338 HydrophobicContact CG-CB 3.77Å; M333-L338 HydrophobicContact CG-CD2 3.83Å; M333-L338 HydrophobicContact CG-CG 4.31Å; M333-L338 PolarHBondContact O-N 2.89Å; M333-L338 HydrophobicContact SD-CB 3.84Å; M333-L338 HydrophobicContact SD-CD2 3.63Å; M333-L338 HydrophobicContact SD-CG 4.38Å; L338-D340 HydrophobicContact CD1-CB 4.26Å; L338-D340 HydrophobicContact CG-CB 4.46Å; L338-L343 HydrophobicContact CD1-CD2 4.37Å; L338-L343 HydrophobicContact CD2-CD2 4.35Å; L338-L343 HydrophobicContact CD2-CG 4.4Å; L338-L344 HydrophobicContact CD2-CB 4.3Å | ||
| 339 | K | 86.9 | Confident | 93.5 | Very high | 194 Ų | 194 | 71.9 Ų | 71.9 | 84% | 0.843 | 36% | 0.357 | S | S | * | . | trans | -96.9 | -20.3 | 179.3 | -64.4 | -174.4 | 179.9 | -179.6 | 0 | 113.3 | K337 E341 | K337-K339 PolarHBondContact O-N 2.79Å; K339-E341 PolarHBondContact O-N 2.76Å | ||
| 340 | D | 85.8 | Confident | 93.5 | Very high | 61 Ų | 61 | 73.1 Ų | 73.1 | 33% | 0.326 | 36% | 0.363 | S | S | . | . | trans | -74.2 | 98.8 | -178.5 | -169.2 | -32.8 | 0 | 0 | 0 | 110.1 | L338 A342 L343 L344 | L338-D340 HydrophobicContact CD1-CB 4.26Å; L338-D340 HydrophobicContact CG-CB 4.46Å; D340-A342 VanDerWaalsContact C-N 3.28Å; D340-A342 PolarHBondContact O-N 3.4Å; D340-A342 WeakPolarHBondContact OD1-CB 3.26Å; D340-A342 PolarHBondContact OD1-N 2.95Å; D340-L343 HydrophobicContact CB-CB 3.94Å; D340-L343 PolarHBondContact O-N 2.56Å; D340-L343 PolarHBondContact OD1-N 2.99Å; D340-L344 WeakPolarHBondContact O-CB 3.43Å; D340-L344 PolarHBondContact O-N 2.81Å | ||
| 341 | E | 91.8 | Very high | 93.5 | Very high | 165 Ų | 165 | 72.5 Ų | 72.5 | 77% | 0.771 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.3 | -31.4 | 179.9 | -63 | -172.9 | 168.2 | 0 | 0 | 112.4 | K339 L344 A345 | K339-E341 PolarHBondContact O-N 2.76Å; E341-L344 PolarHBondContact O-N 3.5Å; E341-A345 WeakPolarHBondContact O-CB 3.35Å; E341-A345 PolarHBondContact O-N 2.76Å |
| 342 | A | 92 | Very high | 93.5 | Very high | 73 Ų | 73 | 74.7 Ų | 74.7 | 60% | 0.603 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -71.7 | -42.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | D340 L344 A345 E346 | D340-A342 VanDerWaalsContact C-N 3.28Å; D340-A342 PolarHBondContact O-N 3.4Å; D340-A342 WeakPolarHBondContact OD1-CB 3.26Å; D340-A342 PolarHBondContact OD1-N 2.95Å; A342-L344 VanDerWaalsContact C-N 3.34Å; A342-A345 PolarHBondContact O-N 2.82Å; A342-E346 PolarHBondContact O-N 2.79Å |
| 343 | L | 93.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.4 | -176.2 | 59.4 | 0 | 0 | 0 | 111.7 | E308 A311 Y312 L315 L338 D340 E346 I347 | E308-L343 HydrophobicContact CG-CD2 3.95Å; A311-L343 HydrophobicContact CB-CD2 3.55Å; A311-L343 HydrophobicContact CB-CG 4.11Å; Y312-L343 HydrophobicContact CD2-CD2 4.01Å; Y312-L343 HydrophobicContact CE1-CD1 4.2Å; Y312-L343 HydrophobicContact CE2-CD1 4.04Å; Y312-L343 HydrophobicContact CE2-CD2 3.57Å; Y312-L343 HydrophobicContact CE2-CG 4.49Å; L315-L343 HydrophobicContact CD1-CD1 3.63Å; L338-L343 HydrophobicContact CD1-CD2 4.37Å; L338-L343 HydrophobicContact CD2-CD2 4.35Å; L338-L343 HydrophobicContact CD2-CG 4.4Å; D340-L343 HydrophobicContact CB-CB 3.94Å; D340-L343 PolarHBondContact O-N 2.56Å; D340-L343 PolarHBondContact OD1-N 2.99Å; L343-E346 WeakPolarHBondContact O-CB 3.37Å; L343-E346 PolarHBondContact O-N 2.96Å; L343-I347 HydrophobicContact CG-CD1 4.36Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.17Å |
| 344 | L | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 78 Ų | 78 | 24% | 0.241 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.2 | -174.8 | 63.7 | 0 | 0 | 0 | 111.5 | Y330 M333 I334 L338 D340 E341 A342 I347 H348 | Y330-L344 HydrophobicContact CE2-CD1 4.45Å; M333-L344 HydrophobicContact CE-CD1 4.1Å; M333-L344 HydrophobicContact SD-CD1 4.03Å; I334-L344 HydrophobicContact CD1-CD1 4.19Å; L338-L344 HydrophobicContact CD2-CB 4.3Å; D340-L344 WeakPolarHBondContact O-CB 3.43Å; D340-L344 PolarHBondContact O-N 2.81Å; E341-L344 PolarHBondContact O-N 3.5Å; A342-L344 VanDerWaalsContact C-N 3.34Å; L344-I347 PolarHBondContact O-N 3.42Å; L344-H348 PolarHBondContact O-CD2 3.31Å; L344-H348 PolarHBondContact O-N 2.65Å |
| 345 | A | 95.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 77.4 Ų | 77.4 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E341 A342 I347 H348 T349 | E341-A345 WeakPolarHBondContact O-CB 3.35Å; E341-A345 PolarHBondContact O-N 2.76Å; A342-A345 PolarHBondContact O-N 2.82Å; A345-I347 VanDerWaalsContact C-N 3.34Å; A345-H348 PolarHBondContact O-N 3.03Å; A345-T349 WeakPolarHBondContact O-CB 3.49Å; A345-T349 PolarHBondContact O-N 3Å; A345-T349 PolarHBondContact O-OG1 2.75Å |
| 346 | E | 96.5 | Very high | 93.3 | Very high | 63 Ų | 63 | 72 Ų | 72 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 173.7 | -175.7 | -178.1 | 172.2 | 0 | 0 | 110.9 | R285 L315 A342 L343 T349 L350 | R285-E346 IonicContact CZ-OE1 2.72Å; R285-E346 IonicContact CZ-OE2 2.65Å; R285-E346 VanDerWaalsContact NH1-CD 3.29Å; R285-E346 IonicContact NH1-OE1 2.8Å; R285-E346 PolarHBondContact NH1-OE1 3.05Å; R285-E346 IonicContact NH1-OE2 3.87Å; R285-E346 PolarHBondContact NH1-OE2 3.4Å; R285-E346 IonicContact NH2-OE1 3.45Å; R285-E346 IonicContact NH2-OE2 2.68Å; R285-E346 PolarHBondContact NH2-OE2 3.08Å; L315-E346 HydrophobicContact CD2-CG 4.29Å; A342-E346 PolarHBondContact O-N 2.79Å; L343-E346 WeakPolarHBondContact O-CB 3.37Å; L343-E346 PolarHBondContact O-N 2.96Å; E346-T349 PolarHBondContact O-N 2.88Å; E346-L350 PolarHBondContact O-N 3.48Å |
| 347 | I | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 178.7 | -70.7 | 168.2 | 0 | 0 | 0 | 111.3 | A311 L315 L318 Y330 M333 L343 L344 A345 T349 L350 Q351 | A311-I347 HydrophobicContact CB-CD1 3.83Å; L315-I347 HydrophobicContact CD1-CG1 4.22Å; L315-I347 HydrophobicContact CD2-CB 4.24Å; L315-I347 HydrophobicContact CD2-CG1 3.4Å; L315-I347 HydrophobicContact CG-CD1 4.22Å; L315-I347 HydrophobicContact CG-CG1 3.57Å; L318-I347 HydrophobicContact CD1-CG2 4.24Å; Y330-I347 HydrophobicContact CD2-CG2 3.86Å; Y330-I347 HydrophobicContact CE2-CG2 4.03Å; M333-I347 HydrophobicContact CE-CD1 3.41Å; M333-I347 VanDerWaalsContact CE-CD1 3.41Å; M333-I347 HydrophobicContact CE-CG2 4.32Å; L343-I347 HydrophobicContact CG-CD1 4.36Å; L343-I347 WeakPolarHBondContact O-CG1 3.46Å; L343-I347 PolarHBondContact O-N 3.17Å; L344-I347 PolarHBondContact O-N 3.42Å; A345-I347 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.36Å; I347-L350 PolarHBondContact O-N 3.41Å; I347-Q351 HydrophobicContact CG2-CG 4.3Å; I347-Q351 VanDerWaalsContact O-CG 3.3Å; I347-Q351 WeakPolarHBondContact O-CG 3.18Å; I347-Q351 PolarHBondContact O-N 3.03Å |
| 348 | H | 95.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 27% | 0.269 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 178.7 | -74.3 | -48.7 | 0 | 0 | 0 | 112.7 | Y330 L344 A345 L350 Q351 E352 | Y330-H348 AromaticContact CZ-CE1 3.93Å; Y330-H348 PolarHBondContact OH-CE1 2.74Å; L344-H348 PolarHBondContact O-CD2 3.31Å; L344-H348 PolarHBondContact O-N 2.65Å; A345-H348 PolarHBondContact O-N 3.03Å; H348-L350 VanDerWaalsContact C-N 3.26Å; H348-L350 PolarHBondContact O-N 2.86Å; H348-Q351 PolarHBondContact ND1-OE1 2.9Å; H348-Q351 VanDerWaalsContact ND1-OE1 3.09Å; H348-Q351 WeakPolarHBondContact O-CB 3.39Å; H348-Q351 PolarHBondContact O-N 2.81Å; H348-E352 WeakPolarHBondContact O-CG 3.44Å; H348-E352 PolarHBondContact O-N 3.01Å |
| 349 | T | 96.7 | Very high | 91.6 | Very high | 85 Ų | 85 | 64.2 Ų | 64.2 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.5 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | A345 E346 I347 T353 | A345-T349 WeakPolarHBondContact O-CB 3.49Å; A345-T349 PolarHBondContact O-N 3Å; A345-T349 PolarHBondContact O-OG1 2.75Å; E346-T349 PolarHBondContact O-N 2.88Å; I347-T349 PolarHBondContact O-N 3.36Å; T349-T353 PolarHBondContact O-N 3.13Å; T349-T353 VanDerWaalsContact O-N 3.11Å; T349-T353 PolarHBondContact O-OG1 3.07Å |
| 350 | L | 96.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 59.9 Ų | 59.9 | 16% | 0.157 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.8 | -174 | 60.5 | 0 | 0 | 0 | 112 | L315 L318 K319 E346 I347 H348 E352 T353 V354 | L315-L350 HydrophobicContact CD2-CD2 3.79Å; L318-L350 HydrophobicContact CB-CD2 3.57Å; L318-L350 HydrophobicContact CB-CG 3.99Å; L318-L350 HydrophobicContact CD1-CB 4.39Å; L318-L350 HydrophobicContact CD1-CD2 4Å; L318-L350 HydrophobicContact CD1-CG 4.21Å; L318-L350 HydrophobicContact CG-CD2 4.43Å; K319-L350 HydrophobicContact CG-CD2 3.93Å; E346-L350 PolarHBondContact O-N 3.48Å; I347-L350 PolarHBondContact O-N 3.41Å; H348-L350 VanDerWaalsContact C-N 3.26Å; H348-L350 PolarHBondContact O-N 2.86Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 3.48Å; L350-T353 WeakPolarHBondContact O-CB 3.4Å; L350-T353 PolarHBondContact O-N 2.85Å; L350-T353 VanDerWaalsContact O-N 3.12Å; L350-V354 HydrophobicContact CD1-CG1 4.06Å; L350-V354 HydrophobicContact CG-CG1 4.46Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 2.66Å |
| 351 | Q | 95.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.037 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 174.9 | -74.9 | 170.5 | -25.4 | 0 | 0 | 112 | L318 I347 H348 T353 V354 G355 F356 G357 | L318-Q351 HydrophobicContact CD1-CG 3.82Å; L318-Q351 HydrophobicContact CD2-CG 3.91Å; I347-Q351 HydrophobicContact CG2-CG 4.3Å; I347-Q351 VanDerWaalsContact O-CG 3.3Å; I347-Q351 WeakPolarHBondContact O-CG 3.18Å; I347-Q351 PolarHBondContact O-N 3.03Å; H348-Q351 PolarHBondContact ND1-OE1 2.9Å; H348-Q351 VanDerWaalsContact ND1-OE1 3.09Å; H348-Q351 WeakPolarHBondContact O-CB 3.39Å; H348-Q351 PolarHBondContact O-N 2.81Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 2.77Å; Q351-V354 PolarHBondContact O-N 3.3Å; Q351-G355 WeakPolarHBondContact O-CA 3.5Å; Q351-G355 PolarHBondContact O-N 3.17Å; Q351-F356 PolarHBondContact O-N 3.49Å; Q351-G357 PolarHBondContact NE2-O 3.19Å |
| 352 | E | 94.4 | Very high | 88.7 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.4 | -39.1 | 175.4 | -72.4 | 177.4 | -176.9 | 0 | 0 | 111.8 | H348 L350 | H348-E352 WeakPolarHBondContact O-CG 3.44Å; H348-E352 PolarHBondContact O-N 3.01Å; L350-E352 VanDerWaalsContact C-N 3.34Å; L350-E352 PolarHBondContact O-N 3.48Å |
| 353 | T | 94.9 | Very high | 88.5 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68 | -42.9 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 112 | T349 L350 Q351 | T349-T353 PolarHBondContact O-N 3.13Å; T349-T353 VanDerWaalsContact O-N 3.11Å; T349-T353 PolarHBondContact O-OG1 3.07Å; L350-T353 WeakPolarHBondContact O-CB 3.4Å; L350-T353 PolarHBondContact O-N 2.85Å; L350-T353 VanDerWaalsContact O-N 3.12Å; Q351-T353 VanDerWaalsContact C-N 3.3Å; Q351-T353 PolarHBondContact O-N 2.77Å |
| 354 | V | 94.6 | Very high | 88.2 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 32% | 0.321 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -88.7 | -17.6 | -177.8 | -55 | 0 | 0 | 0 | 0 | 113.5 | L318 L350 Q351 F356 | L318-V354 HydrophobicContact CD2-CG2 3.75Å; L350-V354 HydrophobicContact CD1-CG1 4.06Å; L350-V354 HydrophobicContact CG-CG1 4.46Å; L350-V354 WeakPolarHBondContact O-CG2 3.23Å; L350-V354 PolarHBondContact O-N 2.66Å; Q351-V354 PolarHBondContact O-N 3.3Å; V354-F356 HydrophobicContact CB-CD1 3.95Å; V354-F356 HydrophobicContact CB-CE1 3.63Å; V354-F356 HydrophobicContact CB-CZ 4.31Å; V354-F356 HydrophobicContact CG2-CD1 3.61Å; V354-F356 HydrophobicContact CG2-CD2 4.44Å; V354-F356 HydrophobicContact CG2-CE1 3.49Å; V354-F356 VanDerWaalsContact CG2-CE1 3.49Å; V354-F356 HydrophobicContact CG2-CE2 4.35Å; V354-F356 HydrophobicContact CG2-CG 4.09Å; V354-F356 HydrophobicContact CG2-CZ 3.87Å; V354-F356 WeakPolarHBondContact O-CD1 3.4Å |
| 355 | G | 92.8 | Very high | 87.8 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 71% | 0.711 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 15.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q351 | Q351-G355 WeakPolarHBondContact O-CA 3.5Å; Q351-G355 PolarHBondContact O-N 3.17Å |
| 356 | F | 92.3 | Very high | 87.3 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 17% | 0.171 | 39% | 0.385 | C | S | . | . | trans | -149.1 | 174.9 | 178.1 | 71 | -94.6 | 0 | 0 | 0 | 112.3 | L318 Q323 A326 Q351 V354 | L318-F356 HydrophobicContact CD2-CD2 4.04Å; L318-F356 HydrophobicContact CD2-CE2 3.75Å; L318-F356 HydrophobicContact CD2-CZ 4.29Å; L318-F356 WeakPolarHBondContact CD2-O 3.35Å; Q323-F356 HydrophobicContact CB-CD2 3.7Å; Q323-F356 HydrophobicContact CB-CE2 4.06Å; Q323-F356 HydrophobicContact CB-CG 4.19Å; Q323-F356 HydrophobicContact CG-CB 3.96Å; Q323-F356 HydrophobicContact CG-CD2 3.71Å; Q323-F356 HydrophobicContact CG-CG 4.02Å; A326-F356 HydrophobicContact CB-CD2 4.46Å; A326-F356 HydrophobicContact CB-CE2 4.06Å; Q351-F356 PolarHBondContact O-N 3.49Å; V354-F356 HydrophobicContact CB-CD1 3.95Å; V354-F356 HydrophobicContact CB-CE1 3.63Å; V354-F356 HydrophobicContact CB-CZ 4.31Å; V354-F356 HydrophobicContact CG2-CD1 3.61Å; V354-F356 HydrophobicContact CG2-CD2 4.44Å; V354-F356 HydrophobicContact CG2-CE1 3.49Å; V354-F356 VanDerWaalsContact CG2-CE1 3.49Å; V354-F356 HydrophobicContact CG2-CE2 4.35Å; V354-F356 HydrophobicContact CG2-CG 4.09Å; V354-F356 HydrophobicContact CG2-CZ 3.87Å; V354-F356 WeakPolarHBondContact O-CD1 3.4Å | ||
| 357 | G | 81.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | trans | 93.6 | -11.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115 | Q351 | Q351-G357 PolarHBondContact NE2-O 3.19Š| ||
| 358 | N | 81.3 | Confident | 86 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.16 | 42% | 0.418 | C | S | . | . | trans | -93.1 | 113.4 | 166.9 | -176.2 | -10.3 | 0 | 0 | 0 | 109.1 | S360 F361 | N358-S360 PolarHBondContact O-N 3.08Å; N358-S360 VanDerWaalsContact OD1-CB 3.32Å; N358-S360 WeakPolarHBondContact OD1-CB 3.44Å; N358-S360 PolarHBondContact OD1-N 3.09Å; N358-S360 PolarHBondContact OD1-OG 2.74Å; N358-F361 HydrophobicContact CB-CD2 4.09Å; N358-F361 PolarHBondContact O-N 3.33Å | ||
| 359 | P | 72.6 | Confident | 85.2 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 32% | 0.318 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.1 | -177.6 | 31 | -36.3 | 0 | 0 | 0 | 114 | Y330 K331 F361 | Y330-P359 HydrophobicContact CD1-CG 3.83Å; Y330-P359 HydrophobicContact CE1-CG 4.1Å; K331-P359 HydrophobicContact CG-CG 4.16Å; P359-F361 VanDerWaalsContact C-N 3.34Å |
| 360 | S | 64.8 | Low | 84.3 | Confident | 103 Ų | 103 | 74.1 Ų | 74.1 | 72% | 0.72 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.8 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | N358 | N358-S360 PolarHBondContact O-N 3.08Å; N358-S360 VanDerWaalsContact OD1-CB 3.32Å; N358-S360 WeakPolarHBondContact OD1-CB 3.44Å; N358-S360 PolarHBondContact OD1-N 3.09Å; N358-S360 PolarHBondContact OD1-OG 2.74Å |
| 361 | F | 49.7 | Very low | 83.2 | Confident | 238 Ų | 238 | 78.1 Ų | 78.1 | 100% | 1.044 | 45% | 0.447 | S | S | * | . | trans | -105.5 | 0 | 173.1 | -79 | -81.2 | 0 | 0 | 0 | 112.5 | N358 P359 | N358-F361 HydrophobicContact CB-CD2 4.09Å; N358-F361 PolarHBondContact O-N 3.33Å; P359-F361 VanDerWaalsContact C-N 3.34Å |
Retrieved 361 of 361 residues in 75.6 ms
(Link to these results)