| 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 | 34.9 | Very low | 60.8 | Low | 225 Ų | 225 | 65.8 Ų | 65.8 | 100% | 1.108 | 38% | 0.379 | S | S | * | . | 0 | 122.4 | 0 | -111.8 | 177.1 | -67.2 | 0 | 0 | 107.2 | |||||
| 2 | C | 44 | Very low | 63.1 | Low | 17 Ų | 17 | 63.1 Ų | 63.1 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | trans | -82.7 | 135.4 | 173.7 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | S6 C7 I178 | C2-S6 PolarHBondContact SG-O 3.39Å; C2-S6 PolarHBondContact SG-OG 2.99Å; C2-C7 HydrophobicContact CB-CB 4.27Å; C2-C7 WeakPolarHBondContact CB-SG 3.33Å; C2-C7 WeakPolarHBondContact SG-CA 3.47Å; C2-C7 WeakPolarHBondContact SG-CB 3.48Å; C2-C7 PolarHBondContact SG-N 3.01Å; C2-C7 CovalentContact SG-SG 2.02Å; C2-C7 PolarHBondContact SG-SG 2.9Å; C2-I178 HydrophobicContact CB-CD1 4Å; C2-I178 HydrophobicContact CB-CG1 3.82Å | ||
| 3 | T | 48.8 | Very low | 65.2 | Low | 89 Ų | 89 | 59 Ų | 59 | 55% | 0.546 | 34% | 0.339 | S | S | . | . | trans | -84.9 | 152.1 | 170.9 | 65 | 0 | 0 | 0 | 0 | 109 | S5 S6 C7 | T3-S5 PolarHBondContact O-N 3.19Å; T3-S5 PolarHBondContact OG1-OG 3.4Å; T3-S6 PolarHBondContact N-OG 3.26Å; T3-S6 VanDerWaalsContact N-OG 3.11Å; T3-S6 PolarHBondContact O-N 3.45Å; T3-S6 PolarHBondContact O-OG 3.32Å; T3-S6 PolarHBondContact OG1-OG 3.46Å; T3-C7 PolarHBondContact O-SG 3.24Å | ||
| 4 | E | 51 | Low | 66.8 | Low | 132 Ų | 132 | 62.5 Ų | 62.5 | 62% | 0.617 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.4 | -30.6 | -176.5 | -74.4 | -164.7 | 174.8 | 0 | 0 | 114.8 | R29 | E4-R29 VanDerWaalsContact CD-NH1 3.28Å; E4-R29 IonicContact OE1-NH1 3.92Å; E4-R29 IonicContact OE2-CZ 2.85Å; E4-R29 IonicContact OE2-NH1 3.71Å; E4-R29 PolarHBondContact OE2-NH1 3.5Å |
| 5 | S | 50.9 | Low | 68.3 | Low | 113 Ų | 113 | 63.7 Ų | 63.7 | 79% | 0.79 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -17.2 | -180 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | T3 | T3-S5 PolarHBondContact O-N 3.19Å; T3-S5 PolarHBondContact OG1-OG 3.4Å |
| 6 | S | 55.7 | Low | 69.8 | Low | 72 Ų | 72 | 61.6 Ų | 61.6 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -113.8 | 3.9 | -168 | 58 | 0 | 0 | 0 | 0 | 114.9 | C2 T3 | C2-S6 PolarHBondContact SG-O 3.39Å; C2-S6 PolarHBondContact SG-OG 2.99Å; T3-S6 PolarHBondContact N-OG 3.26Å; T3-S6 VanDerWaalsContact N-OG 3.11Å; T3-S6 PolarHBondContact O-N 3.45Å; T3-S6 PolarHBondContact O-OG 3.32Å; T3-S6 PolarHBondContact OG1-OG 3.46Å |
| 7 | C | 62.9 | Low | 71 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | trans | -102 | 134.7 | -173.8 | -45.3 | 0 | 0 | 0 | 0 | 111.6 | C2 T3 F9 | C2-C7 HydrophobicContact CB-CB 4.27Å; C2-C7 WeakPolarHBondContact CB-SG 3.33Å; C2-C7 WeakPolarHBondContact SG-CA 3.47Å; C2-C7 WeakPolarHBondContact SG-CB 3.48Å; C2-C7 PolarHBondContact SG-N 3.01Å; C2-C7 CovalentContact SG-SG 2.02Å; C2-C7 PolarHBondContact SG-SG 2.9Å; T3-C7 PolarHBondContact O-SG 3.24Å; C7-F9 PolarHBondContact O-N 3.32Å | ||
| 8 | A | 69.4 | Low | 72.1 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -63.7 | -36 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G30 N31 R141 L328 | A8-G30 WeakPolarHBondContact O-CA 3.21Å; A8-N31 PolarHBondContact O-N 3.2Å; A8-R141 PolarHBondContact O-NH1 2.93Å; A8-L328 HydrophobicContact CB-CD1 4.49Å; A8-L328 HydrophobicContact CB-CD2 4.01Å |
| 9 | F | 79 | Confident | 73 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 161.8 | 171 | 55.3 | -87.1 | 0 | 0 | 0 | 110.9 | C7 R29 I39 V139 | C7-F9 PolarHBondContact O-N 3.32Å; F9-R29 CarbonylContact C-O 3.54Å; F9-R29 WeakPolarHBondContact CA-O 3.44Å; F9-R29 WeakPolarHBondContact CB-O 3.35Å; F9-I39 HydrophobicContact CB-CD1 3.99Å; F9-V139 HydrophobicContact CD2-CB 3.89Å; F9-V139 HydrophobicContact CD2-CG1 3.56Å; F9-V139 HydrophobicContact CD2-CG2 4.05Å; F9-V139 HydrophobicContact CE2-CB 3.82Å; F9-V139 HydrophobicContact CE2-CG1 4.03Å; F9-V139 HydrophobicContact CE2-CG2 3.92Å; F9-V139 HydrophobicContact CG-CG1 4.02Å |
| 10 | L | 84.2 | Confident | 73.8 | Confident | 27 Ų | 27 | 69.6 Ų | 69.6 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.2 | 179.4 | 172.7 | 70 | 0 | 0 | 0 | 108.4 | T12 L28 R29 T176 | L10-T12 HydrophobicContact CD1-CG2 3.89Å; L10-T12 HydrophobicContact CD2-CG2 4.22Å; L10-T12 HydrophobicContact CG-CG2 3.99Å; L10-L28 WeakPolarHBondContact O-CA 3.33Å; L10-R29 HydrophobicContact CB-CB 4.32Å; L10-R29 PolarHBondContact N-O 2.98Å; L10-R29 PolarHBondContact O-N 3.34Å; L10-T176 HydrophobicContact CD1-CG2 3.65Å |
| 11 | V | 87.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.2 | 170.4 | 175.4 | 0 | 0 | 0 | 0 | 108.5 | W13 E27 L28 L41 V139 M175 | V11-W13 HydrophobicContact CG1-CE3 4.01Å; V11-W13 HydrophobicContact CG1-CZ3 4.2Å; V11-E27 CarbonylContact C-O 3.39Å; V11-E27 VanDerWaalsContact CA-O 3.31Å; V11-E27 WeakPolarHBondContact CA-O 3.47Å; V11-L28 HydrophobicContact CB-CD2 4.09Å; V11-L28 HydrophobicContact CG1-CD2 3.69Å; V11-L28 HydrophobicContact CG2-CD2 3.52Å; V11-L41 HydrophobicContact CG1-CD1 4.25Å; V11-L41 HydrophobicContact CG1-CD2 3.83Å; V11-V139 HydrophobicContact CB-CG2 4.38Å; V11-V139 HydrophobicContact CG2-CB 4.43Å; V11-V139 HydrophobicContact CG2-CG1 4.04Å; V11-V139 HydrophobicContact CG2-CG2 3.48Å; V11-V139 VanDerWaalsContact CG2-CG2 3.48Å; V11-M175 PolarHBondContact N-O 2.99Å; V11-M175 CarbonylContact O-C 3.59Å; V11-M175 PolarHBondContact O-N 3.35Å |
| 12 | T | 88.2 | Confident | 77.6 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.2 | 172.5 | 68.4 | 0 | 0 | 0 | 0 | 109.7 | L10 F26 E27 | L10-T12 HydrophobicContact CD1-CG2 3.89Å; L10-T12 HydrophobicContact CD2-CG2 4.22Å; L10-T12 HydrophobicContact CG-CG2 3.99Å; T12-F26 CarbonylContact O-C 3.6Å; T12-F26 WeakPolarHBondContact O-CA 3.49Å; T12-E27 PolarHBondContact N-O 3.03Å; T12-E27 PolarHBondContact O-N 3.38Å; T12-E27 WeakPolarHBondContact OG1-CB 3.44Å |
| 13 | W | 90.7 | Very high | 80 | Confident | 10 Ų | 10 | 63.2 Ų | 63.2 | 4% | 0.038 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 155.9 | 175 | 65.4 | 89.5 | 0 | 0 | 0 | 112.1 | V11 V24 E25 F26 L137 V165 I167 Y172 G173 M175 | V11-W13 HydrophobicContact CG1-CE3 4.01Å; V11-W13 HydrophobicContact CG1-CZ3 4.2Å; W13-V24 HydrophobicContact CB-CG1 3.73Å; W13-V24 HydrophobicContact CG-CG1 4.27Å; W13-E25 CarbonylContact C-O 3.49Å; W13-E25 WeakPolarHBondContact CA-O 3.29Å; W13-F26 HydrophobicContact CB-CD1 3.52Å; W13-F26 HydrophobicContact CB-CE1 3.66Å; W13-F26 HydrophobicContact CB-CG 4.28Å; W13-F26 HydrophobicContact CG-CD1 4.37Å; W13-F26 HydrophobicContact CG-CE1 4.1Å; W13-L137 HydrophobicContact CE3-CD1 4.28Å; W13-L137 HydrophobicContact CH2-CD1 3.38Å; W13-L137 HydrophobicContact CZ2-CD1 3.97Å; W13-L137 HydrophobicContact CZ3-CD1 3.55Å; W13-V165 HydrophobicContact CZ2-CG1 3.82Å; W13-I167 VanDerWaalsContact CD1-O 3.28Å; W13-I167 HydrophobicContact CG-CG2 4.16Å; W13-I167 PolarHBondContact NE1-O 2.89Å; W13-Y172 PolarHBondContact NE1-O 3.27Å; W13-G173 PolarHBondContact N-O 3.44Å; W13-G173 CarbonylContact O-C 3.54Å; W13-G173 WeakPolarHBondContact O-CA 3.14Å; W13-M175 HydrophobicContact CH2-CB 3.94Å; W13-M175 HydrophobicContact CZ3-CB 3.65Å |
| 14 | K | 87.7 | Confident | 82.1 | Confident | 108 Ų | 108 | 59 Ų | 59 | 47% | 0.47 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.7 | 172.1 | 62.5 | -179 | -175.7 | -162 | 0 | 110.7 | V16 V24 E25 | K14-V16 HydrophobicContact CD-CG1 4.33Å; K14-V16 HydrophobicContact CG-CG1 4.09Å; K14-V24 CarbonylContact O-C 3.4Å; K14-V24 WeakPolarHBondContact O-CA 3.47Å; K14-E25 WeakPolarHBondContact CE-OE1 3.47Å; K14-E25 HydrophobicContact CG-CB 4.1Å; K14-E25 PolarHBondContact N-O 3Å; K14-E25 IonicContact NZ-OE1 3.76Å; K14-E25 PolarHBondContact NZ-OE1 3.25Å; K14-E25 PolarHBondContact O-N 3.33Å |
| 15 | L | 89.2 | Confident | 84.2 | Confident | 81 Ų | 81 | 53.3 Ų | 53.3 | 42% | 0.424 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.2 | 172.2 | -172.4 | 69.4 | 0 | 0 | 0 | 109.7 | N22 V24 V117 T168 | L15-N22 HydrophobicContact CD1-CB 4.42Å; L15-V24 HydrophobicContact CD1-CG2 4.5Å; L15-V117 HydrophobicContact CD1-CG2 3.87Å; L15-T168 HydrophobicContact CD1-CG2 4.02Å |
| 16 | V | 91.8 | Very high | 86.2 | Confident | 29 Ų | 29 | 48 Ų | 48 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.3 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 109.4 | K14 Y23 E25 R114 | K14-V16 HydrophobicContact CD-CG1 4.33Å; K14-V16 HydrophobicContact CG-CG1 4.09Å; V16-Y23 PolarHBondContact N-O 3.27Å; V16-Y23 PolarHBondContact O-N 3.43Å; V16-E25 HydrophobicContact CG1-CB 4.26Å; V16-E25 HydrophobicContact CG2-CB 4.2Å; V16-R114 HydrophobicContact CG2-CG 4.44Å |
| 17 | S | 91.3 | Very high | 88 | Confident | 85 Ų | 85 | 45.9 Ų | 45.9 | 59% | 0.594 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.9 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | E21 N22 | S17-E21 CarbonylContact C-O 3.53Å; S17-E21 VanDerWaalsContact CA-O 3.31Å; S17-E21 WeakPolarHBondContact CA-O 3.48Å; S17-N22 PolarHBondContact OG-OD1 3.06Å |
| 18 | V | 90.8 | Very high | 89.5 | Confident | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.1 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | S20 E21 Y23 I92 | V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.4Å; V18-E21 PolarHBondContact N-O 3.06Å; V18-E21 WeakPolarHBondContact O-CB 3.39Å; V18-E21 PolarHBondContact O-N 3.45Å; V18-Y23 HydrophobicContact CB-CD2 3.92Å; V18-Y23 HydrophobicContact CB-CE2 4.14Å; V18-Y23 HydrophobicContact CG2-CD2 4.13Å; V18-Y23 HydrophobicContact CG2-CG 4.44Å; V18-I92 HydrophobicContact CB-CD1 4.47Å; V18-I92 HydrophobicContact CG1-CD1 4.04Å; V18-I92 HydrophobicContact CG2-CD1 4.4Å |
| 19 | K | 89.4 | Confident | 90.5 | Very high | 169 Ų | 169 | 46.2 Ų | 46.2 | 74% | 0.735 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.7 | -177.9 | -56.3 | 176.6 | -173.7 | 169.8 | 0 | 113.6 | E21 E89 | K19-E21 PolarHBondContact O-N 3.33Å; K19-E89 IonicContact NZ-OE1 3.96Å; K19-E89 PolarHBondContact NZ-OE1 2.93Å |
| 20 | S | 88.8 | Confident | 90.9 | Very high | 122 Ų | 122 | 46.1 Ų | 46.1 | 85% | 0.853 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 3.3 | -176.3 | -50.8 | 0 | 0 | 0 | 0 | 116.2 | V18 | V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.4Å |
| 21 | E | 93.2 | Very high | 90.8 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 144.4 | 173.8 | -73.4 | -66.9 | 145 | 0 | 0 | 110.9 | S17 V18 K19 Y23 R116 | S17-E21 CarbonylContact C-O 3.53Å; S17-E21 VanDerWaalsContact CA-O 3.31Å; S17-E21 WeakPolarHBondContact CA-O 3.48Å; V18-E21 PolarHBondContact N-O 3.06Å; V18-E21 WeakPolarHBondContact O-CB 3.39Å; V18-E21 PolarHBondContact O-N 3.45Å; K19-E21 PolarHBondContact O-N 3.33Å; E21-Y23 HydrophobicContact CB-CD2 4.31Å; E21-Y23 HydrophobicContact CB-CE2 3.79Å; E21-R116 IonicContact OE2-NH1 2.75Å; E21-R116 PolarHBondContact OE2-NH1 3.31Å |
| 22 | N | 94.1 | Very high | 90.5 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130 | -179 | -71.7 | -36.5 | 0 | 0 | 0 | 111.5 | L15 S17 V117 | L15-N22 HydrophobicContact CD1-CB 4.42Å; S17-N22 PolarHBondContact OG-OD1 3.06Å; N22-V117 HydrophobicContact CB-CB 4.34Å; N22-V117 HydrophobicContact CB-CG2 3.86Å; N22-V117 WeakPolarHBondContact O-CG2 3.45Å; N22-V117 PolarHBondContact O-N 3.17Å |
| 23 | Y | 95.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.2 | 179.2 | -78.2 | -102.2 | 0 | 0 | 0 | 110.5 | V16 V18 E21 E89 I92 R114 R115 R116 | V16-Y23 PolarHBondContact N-O 3.27Å; V16-Y23 PolarHBondContact O-N 3.43Å; V18-Y23 HydrophobicContact CB-CD2 3.92Å; V18-Y23 HydrophobicContact CB-CE2 4.14Å; V18-Y23 HydrophobicContact CG2-CD2 4.13Å; V18-Y23 HydrophobicContact CG2-CG 4.44Å; E21-Y23 HydrophobicContact CB-CD2 4.31Å; E21-Y23 HydrophobicContact CB-CE2 3.79Å; Y23-E89 WeakPolarHBondContact CE1-O 3.48Å; Y23-E89 PolarHBondContact OH-O 2.79Å; Y23-I92 HydrophobicContact CD1-CD1 4.12Å; Y23-I92 HydrophobicContact CD1-CG1 4.49Å; Y23-I92 HydrophobicContact CE1-CD1 3.74Å; Y23-I92 HydrophobicContact CE1-CG1 3.94Å; Y23-I92 HydrophobicContact CE2-CD1 4.39Å; Y23-R114 HydrophobicContact CD1-CB 3.86Å; Y23-R114 HydrophobicContact CG-CB 4.34Å; Y23-R115 CarbonylContact C-O 3.52Å; Y23-R115 WeakPolarHBondContact CA-O 3.43Å; Y23-R116 HydrophobicContact CD1-CB 4.26Å; Y23-R116 HydrophobicContact CE1-CB 3.82Å; Y23-R116 PolarHBondContact OH-NH2 3Å |
| 24 | V | 93.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.8 | 166.1 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | W13 K14 L15 F26 R114 R115 V117 L129 I167 T168 | W13-V24 HydrophobicContact CB-CG1 3.73Å; W13-V24 HydrophobicContact CG-CG1 4.27Å; K14-V24 CarbonylContact O-C 3.4Å; K14-V24 WeakPolarHBondContact O-CA 3.47Å; L15-V24 HydrophobicContact CD1-CG2 4.5Å; V24-F26 HydrophobicContact CB-CD2 4.2Å; V24-F26 HydrophobicContact CB-CE2 3.57Å; V24-F26 HydrophobicContact CB-CZ 3.91Å; V24-F26 HydrophobicContact CG1-CD1 4.34Å; V24-F26 HydrophobicContact CG1-CD2 3.95Å; V24-F26 HydrophobicContact CG1-CE1 3.89Å; V24-F26 HydrophobicContact CG1-CE2 3.48Å; V24-F26 VanDerWaalsContact CG1-CE2 3.48Å; V24-F26 HydrophobicContact CG1-CG 4.36Å; V24-F26 HydrophobicContact CG1-CZ 3.44Å; V24-F26 VanDerWaalsContact CG1-CZ 3.44Å; V24-F26 WeakPolarHBondContact O-CD2 3.32Å; V24-R114 CarbonylContact O-C 3.5Å; V24-R114 WeakPolarHBondContact O-CA 2.93Å; V24-R115 PolarHBondContact N-O 3.01Å; V24-R115 PolarHBondContact O-N 3.04Å; V24-V117 HydrophobicContact CG2-CG2 3.88Å; V24-L129 HydrophobicContact CG2-CD1 4.25Å; V24-I167 HydrophobicContact CB-CG2 4.38Å; V24-I167 HydrophobicContact CG1-CG2 3.71Å; V24-I167 HydrophobicContact CG2-CG2 3.95Å; V24-T168 HydrophobicContact CG2-CG2 4.37Å |
| 25 | E | 93.6 | Very high | 89 | Confident | 13 Ų | 13 | 52 Ų | 52 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 115.1 | 170.6 | -174 | 170.3 | 103.7 | 0 | 0 | 108.2 | W13 K14 V16 L98 R112 F113 R114 | W13-E25 CarbonylContact C-O 3.49Å; W13-E25 WeakPolarHBondContact CA-O 3.29Å; K14-E25 WeakPolarHBondContact CE-OE1 3.47Å; K14-E25 HydrophobicContact CG-CB 4.1Å; K14-E25 PolarHBondContact N-O 3Å; K14-E25 IonicContact NZ-OE1 3.76Å; K14-E25 PolarHBondContact NZ-OE1 3.25Å; K14-E25 PolarHBondContact O-N 3.33Å; V16-E25 HydrophobicContact CG1-CB 4.26Å; V16-E25 HydrophobicContact CG2-CB 4.2Å; E25-L98 HydrophobicContact CG-CD2 4.34Å; E25-R112 HydrophobicContact CG-CG 4.05Å; E25-F113 CarbonylContact C-O 3.57Å; E25-F113 WeakPolarHBondContact CA-O 3.4Å; E25-R114 HydrophobicContact CB-CG 3.99Å; E25-R114 HydrophobicContact CG-CG 4.09Å; E25-R114 IonicContact OE2-CZ 2.68Å; E25-R114 IonicContact OE2-NE 3.35Å; E25-R114 PolarHBondContact OE2-NE 2.79Å; E25-R114 IonicContact OE2-NH2 3.78Å; E25-R114 PolarHBondContact OE2-NH2 2.98Å |
| 26 | F | 94.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 146.6 | 176.4 | -69 | -83.2 | 0 | 0 | 0 | 110.4 | T12 W13 V24 L41 F43 R112 F113 R115 L129 I167 | T12-F26 CarbonylContact O-C 3.6Å; T12-F26 WeakPolarHBondContact O-CA 3.49Å; W13-F26 HydrophobicContact CB-CD1 3.52Å; W13-F26 HydrophobicContact CB-CE1 3.66Å; W13-F26 HydrophobicContact CB-CG 4.28Å; W13-F26 HydrophobicContact CG-CD1 4.37Å; W13-F26 HydrophobicContact CG-CE1 4.1Å; V24-F26 HydrophobicContact CB-CD2 4.2Å; V24-F26 HydrophobicContact CB-CE2 3.57Å; V24-F26 HydrophobicContact CB-CZ 3.91Å; V24-F26 HydrophobicContact CG1-CD1 4.34Å; V24-F26 HydrophobicContact CG1-CD2 3.95Å; V24-F26 HydrophobicContact CG1-CE1 3.89Å; V24-F26 HydrophobicContact CG1-CE2 3.48Å; V24-F26 VanDerWaalsContact CG1-CE2 3.48Å; V24-F26 HydrophobicContact CG1-CG 4.36Å; V24-F26 HydrophobicContact CG1-CZ 3.44Å; V24-F26 VanDerWaalsContact CG1-CZ 3.44Å; V24-F26 WeakPolarHBondContact O-CD2 3.32Å; F26-L41 HydrophobicContact CD1-CD2 3.69Å; F26-L41 HydrophobicContact CE1-CD2 3.65Å; F26-F43 AromaticContact CE1-CE1 3.98Å; F26-F43 HydrophobicContact CE1-CE1 3.98Å; F26-F43 AromaticContact CE1-CZ 3.96Å; F26-F43 HydrophobicContact CE1-CZ 3.96Å; F26-F43 HydrophobicContact CE2-CZ 4.05Å; F26-F43 AromaticContact CZ-CE1 3.79Å; F26-F43 HydrophobicContact CZ-CE1 3.79Å; F26-F43 AromaticContact CZ-CZ 3.48Å; F26-F43 HydrophobicContact CZ-CZ 3.48Å; F26-F43 VanDerWaalsContact CZ-CZ 3.48Å; F26-R112 VanDerWaalsContact O-CA 3.26Å; F26-R112 WeakPolarHBondContact O-CA 3.34Å; F26-R112 WeakPolarHBondContact O-CG 3.47Å; F26-F113 HydrophobicContact CB-CD2 4.35Å; F26-F113 HydrophobicContact CB-CE1 4.27Å; F26-F113 HydrophobicContact CB-CE2 3.86Å; F26-F113 HydrophobicContact CB-CZ 3.82Å; F26-F113 HydrophobicContact CD2-CD2 4.44Å; F26-F113 AromaticContact CD2-CE2 3.87Å; F26-F113 HydrophobicContact CD2-CE2 3.87Å; F26-F113 HydrophobicContact CG-CE2 4.18Å; F26-F113 HydrophobicContact CG-CZ 4.39Å; F26-F113 PolarHBondContact N-O 3.17Å; F26-F113 PolarHBondContact O-N 3.16Å; F26-R115 HydrophobicContact CD2-CB 4.3Å; F26-R115 HydrophobicContact CE2-CB 4.09Å; F26-L129 HydrophobicContact CE2-CD1 4.37Å; F26-L129 HydrophobicContact CZ-CD1 4.15Å; F26-I167 HydrophobicContact CE1-CG2 4.19Å; F26-I167 HydrophobicContact CZ-CG2 3.91Å |
| 27 | E | 93.5 | Very high | 88.5 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.2 | 165 | 164.4 | 170.1 | -121.9 | 0 | 0 | 109.6 | V11 T12 Q110 C111 R112 | V11-E27 CarbonylContact C-O 3.39Å; V11-E27 VanDerWaalsContact CA-O 3.31Å; V11-E27 WeakPolarHBondContact CA-O 3.47Å; T12-E27 PolarHBondContact N-O 3.03Å; T12-E27 PolarHBondContact O-N 3.38Å; T12-E27 WeakPolarHBondContact OG1-CB 3.44Å; E27-Q110 PolarHBondContact OE1-NE2 3.14Å; E27-C111 CarbonylContact C-O 3.57Å; E27-C111 VanDerWaalsContact CA-O 3.31Å; E27-C111 WeakPolarHBondContact CA-O 3.48Å; E27-R112 HydrophobicContact CB-CB 4.45Å; E27-R112 HydrophobicContact CB-CG 4.2Å; E27-R112 IonicContact OE1-CZ 3.85Å; E27-R112 IonicContact OE1-NE 3.78Å; E27-R112 PolarHBondContact OE1-NE 3.46Å; E27-R112 IonicContact OE1-NH2 3.44Å; E27-R112 PolarHBondContact OE1-NH2 3.17Å; E27-R112 IonicContact OE2-CZ 3.88Å; E27-R112 IonicContact OE2-NE 2.79Å; E27-R112 IonicContact OE2-NH2 3.75Å; E27-R112 PolarHBondContact OE2-NH2 3.16Å |
| 28 | L | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | 176.6 | -49.6 | 179.7 | 0 | 0 | 0 | 108 | L10 V11 I39 L41 Q110 C111 F113 | L10-L28 WeakPolarHBondContact O-CA 3.33Å; V11-L28 HydrophobicContact CB-CD2 4.09Å; V11-L28 HydrophobicContact CG1-CD2 3.69Å; V11-L28 HydrophobicContact CG2-CD2 3.52Å; L28-I39 HydrophobicContact CB-CD1 4.2Å; L28-I39 HydrophobicContact CB-CG1 4.4Å; L28-I39 HydrophobicContact CB-CG2 3.97Å; L28-I39 HydrophobicContact CD1-CG2 4.43Å; L28-L41 HydrophobicContact CD1-CB 4.39Å; L28-L41 HydrophobicContact CD2-CB 3.99Å; L28-L41 HydrophobicContact CD2-CD2 4.3Å; L28-Q110 CarbonylContact O-C 3.55Å; L28-Q110 VanDerWaalsContact O-CA 3.24Å; L28-Q110 WeakPolarHBondContact O-CA 3.49Å; L28-C111 PolarHBondContact N-O 2.99Å; L28-C111 PolarHBondContact O-N 3.28Å; L28-F113 HydrophobicContact CD1-CE1 3.95Å; L28-F113 HydrophobicContact CD1-CZ 4.12Å; L28-F113 HydrophobicContact CG-CE1 4.11Å; L28-F113 HydrophobicContact CG-CZ 4.42Å |
| 29 | R | 90.6 | Very high | 88.6 | Confident | 53 Ų | 53 | 44.2 Ų | 44.2 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.9 | 172.9 | 179.7 | 176.9 | 173.8 | -178.3 | -0.3 | 109.6 | E4 F9 L10 I39 T108 L109 Q110 | E4-R29 VanDerWaalsContact CD-NH1 3.28Å; E4-R29 IonicContact OE1-NH1 3.92Å; E4-R29 IonicContact OE2-CZ 2.85Å; E4-R29 IonicContact OE2-NH1 3.71Å; E4-R29 PolarHBondContact OE2-NH1 3.5Å; F9-R29 CarbonylContact C-O 3.54Å; F9-R29 WeakPolarHBondContact CA-O 3.44Å; F9-R29 WeakPolarHBondContact CB-O 3.35Å; L10-R29 HydrophobicContact CB-CB 4.32Å; L10-R29 PolarHBondContact N-O 2.98Å; L10-R29 PolarHBondContact O-N 3.34Å; R29-I39 WeakPolarHBondContact O-CD1 3.24Å; R29-T108 HydrophobicContact CG-CG2 3.64Å; R29-L109 CarbonylContact C-O 3.44Å; R29-L109 VanDerWaalsContact CA-O 3.27Å; R29-L109 WeakPolarHBondContact CA-O 3.31Å; R29-Q110 HydrophobicContact CB-CB 4.31Å; R29-Q110 HydrophobicContact CB-CG 4.15Å; R29-Q110 HydrophobicContact CG-CB 4.23Å; R29-Q110 HydrophobicContact CG-CG 4.4Å |
| 30 | G | 86.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 159.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A8 L109 | A8-G30 WeakPolarHBondContact O-CA 3.21Å; G30-L109 PolarHBondContact N-O 2.77Å; G30-L109 PolarHBondContact O-N 2.96Å |
| 31 | N | 84 | Confident | 89 | Confident | 51 Ų | 51 | 30.4 Ų | 30.4 | 27% | 0.273 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 121.5 | 176.6 | -179.2 | -49.2 | 0 | 0 | 0 | 110.1 | A8 Q33 D106 G107 R141 | A8-N31 PolarHBondContact O-N 3.2Å; N31-Q33 WeakPolarHBondContact OD1-CA 3.44Å; N31-Q33 PolarHBondContact OD1-N 3.26Å; N31-D106 PolarHBondContact ND2-O 3.32Å; N31-G107 WeakPolarHBondContact CA-O 3.45Å; N31-R141 WeakPolarHBondContact O-CD 3.49Å; N31-R141 PolarHBondContact O-NH1 3.26Å |
| 32 | I | 81.1 | Confident | 89 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -95.6 | 4.7 | -174.8 | 55.8 | 167.8 | 0 | 0 | 0 | 114.5 | K34 F38 F102 G107 L109 | I32-K34 WeakPolarHBondContact CD1-O 3.49Å; I32-K34 VanDerWaalsContact CG1-O 3.31Å; I32-K34 WeakPolarHBondContact CG1-O 3.32Å; I32-K34 PolarHBondContact O-N 3.4Å; I32-F38 WeakPolarHBondContact CG2-O 3.23Å; I32-F102 HydrophobicContact CD1-CD2 3.99Å; I32-F102 HydrophobicContact CD1-CE2 3.69Å; I32-F102 HydrophobicContact CG1-CD2 4.45Å; I32-F102 HydrophobicContact CG1-CE2 3.86Å; I32-G107 PolarHBondContact N-O 2.93Å; I32-G107 VanDerWaalsContact N-O 3.08Å; I32-L109 HydrophobicContact CD1-CB 4.06Å; I32-L109 HydrophobicContact CD1-CD2 4.16Å; I32-L109 HydrophobicContact CG1-CB 4.22Å; I32-L109 HydrophobicContact CG2-CB 3.83Å; I32-L109 HydrophobicContact CG2-CD2 3.97Å | ||
| 33 | Q | 73.1 | Confident | 89 | Confident | 95 Ų | 95 | 22.2 Ų | 22.2 | 44% | 0.444 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 60.2 | -31.7 | -179.9 | -60.3 | -85.8 | -52.4 | 0 | 0 | 115.8 | N31 F154 | N31-Q33 WeakPolarHBondContact OD1-CA 3.44Å; N31-Q33 PolarHBondContact OD1-N 3.26Å; Q33-F154 HydrophobicContact CG-CE1 4.15Å; Q33-F154 HydrophobicContact CG-CE2 4.37Å; Q33-F154 HydrophobicContact CG-CZ 3.96Å |
| 34 | K | 78.3 | Confident | 88.9 | Confident | 82 Ų | 82 | 22.1 Ų | 22.1 | 36% | 0.357 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -134.2 | 149.2 | 178.5 | -68.6 | -160.6 | -175.3 | -179.6 | 0 | 110.8 | I32 T36 G37 V143 T259 | I32-K34 WeakPolarHBondContact CD1-O 3.49Å; I32-K34 VanDerWaalsContact CG1-O 3.31Å; I32-K34 WeakPolarHBondContact CG1-O 3.32Å; I32-K34 PolarHBondContact O-N 3.4Å; K34-T36 PolarHBondContact O-N 2.91Å; K34-G37 PolarHBondContact O-N 2.87Å; K34-V143 HydrophobicContact CD-CB 4.19Å; K34-V143 HydrophobicContact CD-CG1 4.48Å; K34-V143 HydrophobicContact CG-CB 4.41Å; K34-V143 HydrophobicContact CG-CG1 4.33Å; K34-T259 WeakPolarHBondContact CE-OG1 3.32Å; K34-T259 PolarHBondContact NZ-OG1 3.14Å |
| 35 | V | 83.2 | Confident | 88.7 | Confident | 73 Ų | 73 | 28.7 Ų | 28.7 | 44% | 0.442 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.1 | 176.4 | -59 | 0 | 0 | 0 | 0 | 114.5 | Y59 F102 | V35-Y59 HydrophobicContact CB-CD1 4.19Å; V35-Y59 HydrophobicContact CB-CE1 4.2Å; V35-Y59 WeakPolarHBondContact O-CD1 3.11Å; V35-F102 HydrophobicContact CB-CE1 4.42Å; V35-F102 HydrophobicContact CB-CZ 4.46Å; V35-F102 HydrophobicContact CG1-CE1 3.88Å; V35-F102 HydrophobicContact CG1-CZ 3.91Å |
| 36 | T | 83.5 | Confident | 88.3 | Confident | 59 Ų | 59 | 31.9 Ų | 31.9 | 36% | 0.362 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.4 | 175.2 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | K34 V143 E144 R145 | K34-T36 PolarHBondContact O-N 2.91Å; T36-V143 CarbonylContact C-O 3.58Å; T36-V143 VanDerWaalsContact C-O 3.29Å; T36-V143 PolarHBondContact OG1-O 3.47Å; T36-E144 VanDerWaalsContact O-CA 3.28Å; T36-E144 WeakPolarHBondContact O-CA 3.45Å; T36-R145 PolarHBondContact O-N 3.03Å |
| 37 | G | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -80 | 176.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K34 Y59 G142 V143 | K34-G37 PolarHBondContact O-N 2.87Å; G37-Y59 PolarHBondContact O-N 3.29Å; G37-G142 CarbonylContact C-O 3.54Å; G37-G142 WeakPolarHBondContact CA-O 3.04Å; G37-V143 PolarHBondContact N-O 3.38Å | ||
| 38 | F | 91.9 | Very high | 86.9 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.013 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 160.1 | -177.6 | 70.7 | -94.6 | 0 | 0 | 0 | 111.2 | I32 A40 C57 R141 G142 E144 F150 G151 | I32-F38 WeakPolarHBondContact CG2-O 3.23Å; F38-A40 HydrophobicContact CD2-CB 4.07Å; F38-A40 HydrophobicContact CE2-CB 4.17Å; F38-C57 CarbonylContact C-O 3.51Å; F38-C57 VanDerWaalsContact CA-O 3.25Å; F38-C57 WeakPolarHBondContact CA-O 3.42Å; F38-C57 WeakPolarHBondContact CB-O 3.05Å; F38-R141 WeakPolarHBondContact O-CA 3.49Å; F38-G142 PolarHBondContact N-O 2.85Å; F38-G142 PolarHBondContact O-N 3.38Å; F38-G142 VanDerWaalsContact O-N 3.13Å; F38-E144 VanDerWaalsContact CD1-O 3.23Å; F38-E144 WeakPolarHBondContact CD1-O 3.48Å; F38-E144 WeakPolarHBondContact CE1-O 3.44Å; F38-F150 HydrophobicContact CB-CD1 3.71Å; F38-F150 HydrophobicContact CB-CE1 3.96Å; F38-F150 HydrophobicContact CD1-CB 4.38Å; F38-F150 HydrophobicContact CD1-CD1 4.14Å; F38-F150 HydrophobicContact CD2-CB 4.05Å; F38-F150 AromaticContact CD2-CD1 3.55Å; F38-F150 HydrophobicContact CD2-CD1 3.55Å; F38-F150 HydrophobicContact CD2-CE1 4.24Å; F38-F150 AromaticContact CD2-CG 3.91Å; F38-F150 HydrophobicContact CD2-CG 3.91Å; F38-F150 HydrophobicContact CE1-CB 4.11Å; F38-F150 HydrophobicContact CE2-CB 3.8Å; F38-F150 HydrophobicContact CE2-CD1 4.2Å; F38-F150 HydrophobicContact CE2-CG 4.1Å; F38-F150 HydrophobicContact CG-CB 4.35Å; F38-F150 AromaticContact CG-CD1 3.54Å; F38-F150 HydrophobicContact CG-CD1 3.54Å; F38-F150 HydrophobicContact CG-CE1 4.24Å; F38-F150 HydrophobicContact CG-CG 4.24Å; F38-F150 HydrophobicContact CZ-CB 3.83Å; F38-G151 VanDerWaalsContact CZ-O 3.23Å; F38-G151 WeakPolarHBondContact CZ-O 3.36Å |
| 39 | I | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.2 | 163.6 | -173.7 | 167.8 | 0 | 0 | 0 | 108.4 | F9 L28 R29 G56 C57 L109 V139 T140 R141 | F9-I39 HydrophobicContact CB-CD1 3.99Å; L28-I39 HydrophobicContact CB-CD1 4.2Å; L28-I39 HydrophobicContact CB-CG1 4.4Å; L28-I39 HydrophobicContact CB-CG2 3.97Å; L28-I39 HydrophobicContact CD1-CG2 4.43Å; R29-I39 WeakPolarHBondContact O-CD1 3.24Å; I39-G56 CarbonylContact O-C 3.6Å; I39-G56 WeakPolarHBondContact O-CA 3.33Å; I39-C57 VanDerWaalsContact CG2-SG 3.51Å; I39-C57 PolarHBondContact N-O 3.23Å; I39-C57 PolarHBondContact O-N 3.4Å; I39-L109 HydrophobicContact CG2-CD2 3.98Å; I39-L109 HydrophobicContact CG2-CG 4.3Å; I39-V139 HydrophobicContact CD1-CG1 4.22Å; I39-V139 HydrophobicContact CG1-CG1 4.17Å; I39-T140 WeakPolarHBondContact CA-O 3.48Å; I39-R141 HydrophobicContact CB-CG 4.33Å; I39-R141 HydrophobicContact CD1-CG 4.32Å; I39-R141 HydrophobicContact CG1-CG 4.04Å |
| 40 | A | 93.2 | Very high | 85.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | F38 V54 V55 V139 T140 F150 | F38-A40 HydrophobicContact CD2-CB 4.07Å; F38-A40 HydrophobicContact CE2-CB 4.17Å; A40-V54 HydrophobicContact CB-CG1 3.87Å; A40-V55 CarbonylContact C-O 3.59Å; A40-V55 WeakPolarHBondContact CA-O 3.41Å; A40-V139 CarbonylContact O-C 3.59Å; A40-V139 WeakPolarHBondContact O-CA 3.49Å; A40-T140 PolarHBondContact N-O 3.06Å; A40-T140 PolarHBondContact O-N 3.37Å; A40-F150 HydrophobicContact CB-CD2 4.02Å; A40-F150 HydrophobicContact CB-CE2 4.05Å; A40-F150 HydrophobicContact CB-CG 4.44Å; A40-F150 HydrophobicContact CB-CZ 4.47Å |
| 41 | L | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | 175.1 | 173.9 | 66.3 | 0 | 0 | 0 | 107.6 | V11 F26 L28 F43 V54 V55 L137 I138 V139 | V11-L41 HydrophobicContact CG1-CD1 4.25Å; V11-L41 HydrophobicContact CG1-CD2 3.83Å; F26-L41 HydrophobicContact CD1-CD2 3.69Å; F26-L41 HydrophobicContact CE1-CD2 3.65Å; L28-L41 HydrophobicContact CD1-CB 4.39Å; L28-L41 HydrophobicContact CD2-CB 3.99Å; L28-L41 HydrophobicContact CD2-CD2 4.3Å; L41-F43 HydrophobicContact CD2-CE1 3.64Å; L41-F43 HydrophobicContact CD2-CZ 3.91Å; L41-F43 HydrophobicContact CG-CE1 3.92Å; L41-F43 HydrophobicContact CG-CZ 4.25Å; L41-V54 WeakPolarHBondContact O-CA 2.79Å; L41-V55 HydrophobicContact CB-CG2 4.1Å; L41-V55 HydrophobicContact CD2-CG2 4.38Å; L41-V55 PolarHBondContact N-O 2.97Å; L41-V55 PolarHBondContact O-N 3.02Å; L41-L137 HydrophobicContact CD1-CB 4.01Å; L41-L137 HydrophobicContact CD1-CD2 4.38Å; L41-I138 CarbonylContact C-O 3.57Å; L41-I138 WeakPolarHBondContact CA-O 3.36Å; L41-V139 HydrophobicContact CD1-CG2 4.2Å |
| 42 | A | 92.9 | Very high | 86.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D52 G53 V54 I138 | A42-D52 HydrophobicContact CB-CB 4.04Å; A42-G53 CarbonylContact C-O 3.57Å; A42-G53 VanDerWaalsContact CA-O 3.27Å; A42-G53 WeakPolarHBondContact CA-O 3.43Å; A42-V54 HydrophobicContact CB-CG2 3.93Å; A42-I138 HydrophobicContact CB-CB 4.19Å; A42-I138 PolarHBondContact N-O 3.33Å; A42-I138 PolarHBondContact O-N 3.4Å |
| 43 | F | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 101.6 | 172.7 | -48.9 | -62 | 0 | 0 | 0 | 107.2 | F26 L41 G53 V55 M127 L129 Y135 L137 I167 | F26-F43 AromaticContact CE1-CE1 3.98Å; F26-F43 HydrophobicContact CE1-CE1 3.98Å; F26-F43 AromaticContact CE1-CZ 3.96Å; F26-F43 HydrophobicContact CE1-CZ 3.96Å; F26-F43 HydrophobicContact CE2-CZ 4.05Å; F26-F43 AromaticContact CZ-CE1 3.79Å; F26-F43 HydrophobicContact CZ-CE1 3.79Å; F26-F43 AromaticContact CZ-CZ 3.48Å; F26-F43 HydrophobicContact CZ-CZ 3.48Å; F26-F43 VanDerWaalsContact CZ-CZ 3.48Å; L41-F43 HydrophobicContact CD2-CE1 3.64Å; L41-F43 HydrophobicContact CD2-CZ 3.91Å; L41-F43 HydrophobicContact CG-CE1 3.92Å; L41-F43 HydrophobicContact CG-CZ 4.25Å; F43-G53 WeakPolarHBondContact CD2-O 3.24Å; F43-G53 PolarHBondContact N-O 3.34Å; F43-G53 PolarHBondContact O-N 3.27Å; F43-V55 HydrophobicContact CE2-CG1 4.27Å; F43-V55 HydrophobicContact CE2-CG2 3.86Å; F43-V55 HydrophobicContact CZ-CG2 3.75Å; F43-M127 HydrophobicContact CB-CB 4.21Å; F43-M127 HydrophobicContact CB-CG 4.23Å; F43-L129 HydrophobicContact CD1-CD2 4.41Å; F43-L129 HydrophobicContact CD2-CD2 4.11Å; F43-L129 HydrophobicContact CE2-CD1 4.47Å; F43-L129 HydrophobicContact CE2-CD2 4.44Å; F43-L129 HydrophobicContact CG-CD2 4.1Å; F43-L129 HydrophobicContact CZ-CD1 4.35Å; F43-Y135 HydrophobicContact CB-CD1 4.49Å; F43-Y135 HydrophobicContact CB-CD2 4.31Å; F43-Y135 HydrophobicContact CB-CG 4.05Å; F43-L137 HydrophobicContact CD1-CD2 3.72Å; F43-L137 HydrophobicContact CE1-CD2 4.07Å; F43-I167 HydrophobicContact CD1-CD1 3.37Å; F43-I167 HydrophobicContact CE1-CD1 3.43Å; F43-I167 VanDerWaalsContact CE1-CD1 3.43Å; F43-I167 HydrophobicContact CG-CD1 4.31Å; F43-I167 HydrophobicContact CZ-CD1 4.42Å |
| 44 | S | 92.1 | Very high | 88 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.3 | -176.3 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | D46 R48 D52 Y135 H136 | S44-D46 VanDerWaalsContact C-N 3.29Å; S44-D46 VanDerWaalsContact CB-O 3.28Å; S44-D46 WeakPolarHBondContact CB-O 3.45Å; S44-D46 PolarHBondContact OG-N 3Å; S44-D46 PolarHBondContact OG-O 3.39Å; S44-D46 VanDerWaalsContact OG-O 3.11Å; S44-R48 PolarHBondContact OG-O 2.98Å; S44-D52 WeakPolarHBondContact CA-OD1 3.39Å; S44-D52 WeakPolarHBondContact CB-OD1 3.23Å; S44-D52 PolarHBondContact OG-OD1 3.3Å; S44-Y135 CarbonylContact O-C 3.52Å; S44-Y135 VanDerWaalsContact O-CA 3.26Å; S44-Y135 WeakPolarHBondContact O-CA 3.39Å; S44-Y135 WeakPolarHBondContact O-CB 3.36Å; S44-H136 PolarHBondContact N-O 3.05Å; S44-H136 PolarHBondContact O-N 3.47Å |
| 45 | K | 89.5 | Confident | 88.8 | Confident | 138 Ų | 138 | 38.2 Ų | 38.2 | 60% | 0.6 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -78.6 | -16.2 | 172.7 | -65.3 | 174.6 | -173.6 | 161.1 | 0 | 112.2 | Y135 | K45-Y135 HydrophobicContact CG-CD1 4.3Å; K45-Y135 HydrophobicContact CG-CE1 4.18Å |
| 46 | D | 85 | Confident | 89.4 | Confident | 80 Ų | 80 | 34.8 Ų | 34.8 | 43% | 0.428 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -136.5 | -172.5 | 176.9 | 69.5 | 39.5 | 0 | 0 | 0 | 111.4 | S44 R48 H136 | S44-D46 VanDerWaalsContact C-N 3.29Å; S44-D46 VanDerWaalsContact CB-O 3.28Å; S44-D46 WeakPolarHBondContact CB-O 3.45Å; S44-D46 PolarHBondContact OG-N 3Å; S44-D46 PolarHBondContact OG-O 3.39Å; S44-D46 VanDerWaalsContact OG-O 3.11Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.47Å; D46-R48 WeakPolarHBondContact OD1-CA 3.39Å; D46-R48 VanDerWaalsContact OD1-CB 3.27Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 PolarHBondContact OD1-N 3.45Å; D46-H136 WeakPolarHBondContact O-CB 3.49Å |
| 47 | Q | 79.8 | Confident | 90 | Very high | 96 Ų | 96 | 32 Ų | 32 | 45% | 0.449 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -87.9 | 11.9 | -177 | -68.4 | -175.5 | -8.3 | 0 | 0 | 113.9 | V160 Q162 | Q47-V160 HydrophobicContact CB-CG1 3.94Å; Q47-V160 HydrophobicContact CG-CG1 4Å; Q47-Q162 PolarHBondContact NE2-O 3.17Å |
| 48 | R | 79.4 | Confident | 90.3 | Very high | 192 Ų | 192 | 32.3 Ų | 32.3 | 73% | 0.725 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -114.8 | 150.9 | -176 | -57.3 | 177.3 | 178.6 | 164.7 | 0.5 | 109.4 | S44 D46 G50 I138 | S44-R48 PolarHBondContact OG-O 2.98Å; D46-R48 VanDerWaalsContact C-N 3.28Å; D46-R48 PolarHBondContact O-N 3.47Å; D46-R48 WeakPolarHBondContact OD1-CA 3.39Å; D46-R48 VanDerWaalsContact OD1-CB 3.27Å; D46-R48 WeakPolarHBondContact OD1-CB 3.44Å; D46-R48 PolarHBondContact OD1-N 3.45Å; R48-G50 PolarHBondContact O-N 3.11Å; R48-I138 WeakPolarHBondContact O-CD1 3.37Å |
| 49 | V | 79.5 | Confident | 90.3 | Very high | 64 Ų | 64 | 33.6 Ų | 33.6 | 39% | 0.388 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -77.2 | 122.2 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | D52 N73 I138 | V49-D52 WeakPolarHBondContact CA-OD2 3.3Å; V49-N73 WeakPolarHBondContact CG1-ND2 3.41Å; V49-I138 HydrophobicContact CG2-CD1 4.14Å; V49-I138 HydrophobicContact CG2-CG2 4.04Å |
| 50 | G | 83.3 | Confident | 90.2 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -161.8 | -135.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R48 D52 N73 D74 | R48-G50 PolarHBondContact O-N 3.11Å; G50-D52 VanDerWaalsContact C-N 3.29Å; G50-D52 PolarHBondContact N-OD2 2.95Å; G50-D52 PolarHBondContact O-N 3.04Å; G50-N73 WeakPolarHBondContact O-CB 3.41Å; G50-D74 CarbonylContact C-O 3.58Å; G50-D74 VanDerWaalsContact O-O 3.13Å |
| 51 | D | 86.9 | Confident | 89.7 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -70 | 82 | 173.9 | -177 | 32.5 | 0 | 0 | 0 | 111.1 | I75 M127 | D51-I75 HydrophobicContact CB-CG1 4.5Å; D51-M127 WeakPolarHBondContact O-CE 3.38Å |
| 52 | D | 92 | Very high | 89.4 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | trans | -123.5 | 147.3 | -171.7 | -48.1 | -46.9 | 0 | 0 | 0 | 112.1 | A42 S44 V49 G50 Y72 N73 | A42-D52 HydrophobicContact CB-CB 4.04Å; S44-D52 WeakPolarHBondContact CA-OD1 3.39Å; S44-D52 WeakPolarHBondContact CB-OD1 3.23Å; S44-D52 PolarHBondContact OG-OD1 3.3Å; V49-D52 WeakPolarHBondContact CA-OD2 3.3Å; G50-D52 VanDerWaalsContact C-N 3.29Å; G50-D52 PolarHBondContact N-OD2 2.95Å; G50-D52 PolarHBondContact O-N 3.04Å; D52-Y72 CarbonylContact O-C 3.53Å; D52-Y72 VanDerWaalsContact O-CA 3.24Å; D52-Y72 WeakPolarHBondContact O-CA 3.02Å; D52-N73 HydrophobicContact CB-CB 4.45Å; D52-N73 PolarHBondContact O-N 3.24Å; D52-N73 PolarHBondContact OD2-ND2 3.38Å | ||
| 53 | G | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A42 F43 Q125 L126 | A42-G53 CarbonylContact C-O 3.57Å; A42-G53 VanDerWaalsContact CA-O 3.27Å; A42-G53 WeakPolarHBondContact CA-O 3.43Å; F43-G53 WeakPolarHBondContact CD2-O 3.24Å; F43-G53 PolarHBondContact N-O 3.34Å; F43-G53 PolarHBondContact O-N 3.27Å; G53-Q125 WeakPolarHBondContact CA-O 3.4Å; G53-Q125 PolarHBondContact N-O 3.18Å; G53-L126 WeakPolarHBondContact CA-O 3.34Å |
| 54 | V | 95 | Very high | 88.9 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.8 | -172.4 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | A40 L41 A42 A70 G71 T80 F150 | A40-V54 HydrophobicContact CB-CG1 3.87Å; L41-V54 WeakPolarHBondContact O-CA 2.79Å; A42-V54 HydrophobicContact CB-CG2 3.93Å; V54-A70 CarbonylContact O-C 3.56Å; V54-A70 WeakPolarHBondContact O-CA 3.49Å; V54-G71 PolarHBondContact N-O 3.5Å; V54-G71 PolarHBondContact O-N 3.33Å; V54-G71 VanDerWaalsContact O-O 3.09Å; V54-T80 HydrophobicContact CB-CG2 4.09Å; V54-T80 HydrophobicContact CG1-CG2 4.28Å; V54-T80 HydrophobicContact CG2-CG2 4.15Å; V54-F150 HydrophobicContact CG1-CD2 4.03Å; V54-F150 HydrophobicContact CG1-CE2 4.06Å |
| 55 | V | 96 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.4 | 163.6 | -70 | 0 | 0 | 0 | 0 | 109.5 | A40 L41 F43 R69 A70 L91 F113 R115 | A40-V55 CarbonylContact C-O 3.59Å; A40-V55 WeakPolarHBondContact CA-O 3.41Å; L41-V55 HydrophobicContact CB-CG2 4.1Å; L41-V55 HydrophobicContact CD2-CG2 4.38Å; L41-V55 PolarHBondContact N-O 2.97Å; L41-V55 PolarHBondContact O-N 3.02Å; F43-V55 HydrophobicContact CE2-CG1 4.27Å; F43-V55 HydrophobicContact CE2-CG2 3.86Å; F43-V55 HydrophobicContact CZ-CG2 3.75Å; V55-R69 WeakPolarHBondContact CA-O 3.46Å; V55-A70 HydrophobicContact CG1-CB 4.17Å; V55-L91 HydrophobicContact CG1-CD2 4.37Å; V55-F113 HydrophobicContact CB-CE2 3.7Å; V55-F113 HydrophobicContact CB-CZ 3.74Å; V55-F113 HydrophobicContact CG1-CE2 4.14Å; V55-F113 HydrophobicContact CG2-CE2 3.81Å; V55-F113 HydrophobicContact CG2-CZ 3.69Å; V55-R115 HydrophobicContact CG1-CG 4.42Å |
| 56 | G | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.4 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I39 I68 R69 F150 | I39-G56 CarbonylContact O-C 3.6Å; I39-G56 WeakPolarHBondContact O-CA 3.33Å; G56-I68 CarbonylContact O-C 3.56Å; G56-I68 WeakPolarHBondContact O-CA 3.15Å; G56-R69 PolarHBondContact N-O 3.08Å; G56-R69 PolarHBondContact O-N 2.85Å; G56-F150 VanDerWaalsContact C-CZ 3.48Å |
| 57 | C | 95.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.9 | 174.9 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | F38 I39 V66 N67 I68 L109 C111 | F38-C57 CarbonylContact C-O 3.51Å; F38-C57 VanDerWaalsContact CA-O 3.25Å; F38-C57 WeakPolarHBondContact CA-O 3.42Å; F38-C57 WeakPolarHBondContact CB-O 3.05Å; I39-C57 VanDerWaalsContact CG2-SG 3.51Å; I39-C57 PolarHBondContact N-O 3.23Å; I39-C57 PolarHBondContact O-N 3.4Å; C57-V66 HydrophobicContact CB-CG1 3.84Å; C57-N67 CarbonylContact C-O 3.51Å; C57-N67 WeakPolarHBondContact CA-O 3.42Å; C57-N67 WeakPolarHBondContact CB-O 3.5Å; C57-I68 HydrophobicContact CB-CB 4.5Å; C57-I68 HydrophobicContact CB-CG1 3.81Å; C57-L109 WeakPolarHBondContact O-CD2 3.31Å; C57-C111 HydrophobicContact CB-CB 3.59Å; C57-C111 WeakPolarHBondContact CB-SG 3.37Å; C57-C111 WeakPolarHBondContact SG-CB 3.24Å; C57-C111 CovalentContact SG-SG 2.03Å; C57-C111 PolarHBondContact SG-SG 3.05Å |
| 58 | Y | 94.4 | Very high | 90.4 | Very high | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.4 | 176.7 | 63.1 | -84.6 | 0 | 0 | 0 | 109.6 | Q60 V66 N67 R69 F82 R145 F150 | Y58-Q60 HydrophobicContact CE2-CB 4.26Å; Y58-V66 WeakPolarHBondContact O-CA 3.44Å; Y58-N67 HydrophobicContact CD1-CB 4.32Å; Y58-N67 HydrophobicContact CE1-CB 3.72Å; Y58-N67 HydrophobicContact CE2-CB 3.95Å; Y58-N67 VanDerWaalsContact CZ-CB 3.5Å; Y58-N67 PolarHBondContact N-O 2.79Å; Y58-N67 PolarHBondContact O-N 3Å; Y58-R69 HydrophobicContact CE1-CG 3.97Å; Y58-F82 HydrophobicContact CD1-CZ 4.44Å; Y58-F82 HydrophobicContact CE1-CE2 4.37Å; Y58-F82 HydrophobicContact CE1-CZ 4.07Å; Y58-R145 HydrophobicContact CD1-CG 4.05Å; Y58-R145 HydrophobicContact CD2-CB 4.04Å; Y58-R145 HydrophobicContact CD2-CG 3.84Å; Y58-R145 HydrophobicContact CE1-CG 4.13Å; Y58-R145 HydrophobicContact CE2-CG 3.93Å; Y58-R145 VanDerWaalsContact CE2-NE 3.29Å; Y58-R145 HydrophobicContact CG-CB 4.04Å; Y58-R145 HydrophobicContact CG-CG 3.9Å; Y58-R145 PolarHBondContact OH-NE 2.96Å; Y58-R145 PolarHBondContact OH-NH2 3.48Å; Y58-F150 AromaticContact CD1-CE1 3.94Å; Y58-F150 HydrophobicContact CD1-CE1 3.94Å |
| 59 | Y | 92 | Very high | 91.2 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.7 | 174 | 177.9 | -122.1 | 0 | 0 | 0 | 109.6 | V35 G37 N64 V66 F102 | V35-Y59 HydrophobicContact CB-CD1 4.19Å; V35-Y59 HydrophobicContact CB-CE1 4.2Å; V35-Y59 WeakPolarHBondContact O-CD1 3.11Å; G37-Y59 PolarHBondContact O-N 3.29Å; Y59-N64 WeakPolarHBondContact CE2-OD1 3.26Å; Y59-N64 PolarHBondContact OH-OD1 3.03Å; Y59-V66 HydrophobicContact CD2-CG2 4.09Å; Y59-F102 HydrophobicContact CD1-CB 4.23Å; Y59-F102 AromaticContact CD1-CD1 3.36Å; Y59-F102 HydrophobicContact CD1-CD1 3.36Å; Y59-F102 HydrophobicContact CD1-CD2 4.3Å; Y59-F102 AromaticContact CD1-CE1 3.71Å; Y59-F102 HydrophobicContact CD1-CE1 3.71Å; Y59-F102 AromaticContact CD1-CG 3.69Å; Y59-F102 HydrophobicContact CD1-CG 3.69Å; Y59-F102 HydrophobicContact CD1-CZ 4.33Å; Y59-F102 HydrophobicContact CD2-CB 3.53Å; Y59-F102 HydrophobicContact CD2-CD1 4.06Å; Y59-F102 AromaticContact CD2-CG 3.94Å; Y59-F102 HydrophobicContact CD2-CG 3.94Å; Y59-F102 AromaticContact CE1-CD1 3.34Å; Y59-F102 HydrophobicContact CE1-CD1 3.34Å; Y59-F102 AromaticContact CE1-CE1 3.67Å; Y59-F102 HydrophobicContact CE1-CE1 3.67Å; Y59-F102 HydrophobicContact CE1-CG 4.11Å; Y59-F102 HydrophobicContact CE2-CB 3.93Å; Y59-F102 AromaticContact CE2-CD1 4Å; Y59-F102 HydrophobicContact CE2-CD1 4Å; Y59-F102 HydrophobicContact CE2-CG 4.28Å; Y59-F102 HydrophobicContact CG-CB 3.71Å; Y59-F102 AromaticContact CG-CD1 3.77Å; Y59-F102 HydrophobicContact CG-CD1 3.77Å; Y59-F102 HydrophobicContact CG-CD2 4.28Å; Y59-F102 HydrophobicContact CG-CE1 4.49Å; Y59-F102 AromaticContact CG-CG 3.64Å; Y59-F102 HydrophobicContact CG-CG 3.64Å; Y59-F102 AromaticContact CZ-CD1 3.67Å |
| 60 | Q | 89.1 | Confident | 91.9 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 23% | 0.229 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 104.2 | 177.6 | -173.3 | 166.2 | -77.7 | 0 | 0 | 109.2 | Y58 S62 T63 N64 T65 N67 | Y58-Q60 HydrophobicContact CE2-CB 4.26Å; Q60-S62 VanDerWaalsContact C-N 3.3Å; Q60-S62 WeakPolarHBondContact CG-OG 3.39Å; Q60-S62 PolarHBondContact O-N 2.88Å; Q60-T63 PolarHBondContact NE2-OG1 3.1Å; Q60-T63 PolarHBondContact O-N 3.43Å; Q60-N64 WeakPolarHBondContact O-CA 3.21Å; Q60-N64 PolarHBondContact O-N 3.18Å; Q60-T65 PolarHBondContact N-O 2.67Å; Q60-T65 PolarHBondContact O-N 3.42Å; Q60-N67 WeakPolarHBondContact CB-ND2 3.43Å |
| 61 | S | 83.7 | Confident | 92.5 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.4 | -175.4 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | T63 N64 | S61-T63 VanDerWaalsContact C-N 3.35Å; S61-T63 PolarHBondContact O-N 2.78Å; S61-N64 PolarHBondContact O-N 3.23Å |
| 62 | S | 87.1 | Confident | 92.8 | Very high | 100 Ų | 100 | 35.5 Ų | 35.5 | 70% | 0.699 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -35 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | Q60 | Q60-S62 VanDerWaalsContact C-N 3.3Å; Q60-S62 WeakPolarHBondContact CG-OG 3.39Å; Q60-S62 PolarHBondContact O-N 2.88Å |
| 63 | T | 88.7 | Confident | 92.7 | Very high | 75 Ų | 75 | 35.8 Ų | 35.8 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -6.8 | 179.3 | 49.5 | 0 | 0 | 0 | 0 | 112.5 | Q60 S61 T65 | Q60-T63 PolarHBondContact NE2-OG1 3.1Å; Q60-T63 PolarHBondContact O-N 3.43Å; S61-T63 VanDerWaalsContact C-N 3.35Å; S61-T63 PolarHBondContact O-N 2.78Å; T63-T65 WeakPolarHBondContact O-CG2 3.17Å; T63-T65 PolarHBondContact O-N 2.93Å; T63-T65 PolarHBondContact OG1-OG1 2.79Å |
| 64 | N | 87.8 | Confident | 92.2 | Very high | 116 Ų | 116 | 38.1 Ų | 38.1 | 62% | 0.62 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.9 | -170.7 | -168 | 30.9 | 0 | 0 | 0 | 112.5 | Y59 Q60 S61 | Y59-N64 WeakPolarHBondContact CE2-OD1 3.26Å; Y59-N64 PolarHBondContact OH-OD1 3.03Å; Q60-N64 WeakPolarHBondContact O-CA 3.21Å; Q60-N64 PolarHBondContact O-N 3.18Å; S61-N64 PolarHBondContact O-N 3.23Å |
| 65 | T | 91.4 | Very high | 91.4 | Very high | 61 Ų | 61 | 45 Ų | 45 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | Q60 T63 N67 | Q60-T65 PolarHBondContact N-O 2.67Å; Q60-T65 PolarHBondContact O-N 3.42Å; T63-T65 WeakPolarHBondContact O-CG2 3.17Å; T63-T65 PolarHBondContact O-N 2.93Å; T63-T65 PolarHBondContact OG1-OG1 2.79Å; T65-N67 PolarHBondContact OG1-ND2 2.95Å |
| 66 | V | 94.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 48 Ų | 48 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.8 | 168.5 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | C57 Y58 Y59 F102 L109 C111 | C57-V66 HydrophobicContact CB-CG1 3.84Å; Y58-V66 WeakPolarHBondContact O-CA 3.44Å; Y59-V66 HydrophobicContact CD2-CG2 4.09Å; V66-F102 HydrophobicContact CG2-CB 4.16Å; V66-L109 HydrophobicContact CB-CD1 4.29Å; V66-L109 HydrophobicContact CG1-CD1 3.75Å; V66-L109 HydrophobicContact CG2-CD1 3.5Å; V66-C111 HydrophobicContact CG1-CB 4.2Å |
| 67 | N | 94.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 49 Ų | 49 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.5 | -179.7 | -67 | -85.6 | 0 | 0 | 0 | 109.3 | C57 Y58 Q60 T65 | C57-N67 CarbonylContact C-O 3.51Å; C57-N67 WeakPolarHBondContact CA-O 3.42Å; C57-N67 WeakPolarHBondContact CB-O 3.5Å; Y58-N67 HydrophobicContact CD1-CB 4.32Å; Y58-N67 HydrophobicContact CE1-CB 3.72Å; Y58-N67 HydrophobicContact CE2-CB 3.95Å; Y58-N67 VanDerWaalsContact CZ-CB 3.5Å; Y58-N67 PolarHBondContact N-O 2.79Å; Y58-N67 PolarHBondContact O-N 3Å; Q60-N67 WeakPolarHBondContact CB-ND2 3.43Å; T65-N67 PolarHBondContact OG1-ND2 2.95Å |
| 68 | I | 96.6 | Very high | 87.9 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.087 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.7 | -177.6 | -60.6 | 160.4 | 0 | 0 | 0 | 107.7 | G56 C57 L91 T93 C111 F113 | G56-I68 CarbonylContact O-C 3.56Å; G56-I68 WeakPolarHBondContact O-CA 3.15Å; C57-I68 HydrophobicContact CB-CB 4.5Å; C57-I68 HydrophobicContact CB-CG1 3.81Å; I68-L91 HydrophobicContact CG2-CD1 4.29Å; I68-T93 HydrophobicContact CB-CG2 3.68Å; I68-T93 HydrophobicContact CD1-CG2 4.21Å; I68-T93 HydrophobicContact CG2-CG2 3.9Å; I68-C111 HydrophobicContact CD1-CB 3.99Å; I68-C111 HydrophobicContact CG1-CB 4Å; I68-F113 HydrophobicContact CB-CD1 4.5Å; I68-F113 HydrophobicContact CD1-CB 3.99Å; I68-F113 HydrophobicContact CD1-CD1 4.1Å; I68-F113 HydrophobicContact CD1-CG 4.45Å; I68-F113 HydrophobicContact CG1-CD1 4.28Å; I68-F113 HydrophobicContact CG2-CB 3.83Å; I68-F113 HydrophobicContact CG2-CD1 3.44Å; I68-F113 VanDerWaalsContact CG2-CD1 3.44Å; I68-F113 HydrophobicContact CG2-CD2 4.08Å; I68-F113 HydrophobicContact CG2-CE1 3.96Å; I68-F113 HydrophobicContact CG2-CG 3.51Å; I68-F113 HydrophobicContact CG2-CZ 4.48Å |
| 69 | R | 95.9 | Very high | 87.1 | Confident | 69 Ų | 69 | 55.7 Ų | 55.7 | 26% | 0.26 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.5 | -176.4 | -64 | -65.4 | -73.2 | -103.1 | 0.6 | 111.3 | V55 G56 Y58 F82 N84 | V55-R69 WeakPolarHBondContact CA-O 3.46Å; G56-R69 PolarHBondContact N-O 3.08Å; G56-R69 PolarHBondContact O-N 2.85Å; Y58-R69 HydrophobicContact CE1-CG 3.97Å; R69-F82 HydrophobicContact CB-CD1 3.66Å; R69-F82 HydrophobicContact CB-CE1 3.73Å; R69-F82 HydrophobicContact CB-CG 4.18Å; R69-F82 HydrophobicContact CB-CZ 4.28Å; R69-F82 HydrophobicContact CG-CD1 4.26Å; R69-F82 HydrophobicContact CG-CD2 4.42Å; R69-F82 HydrophobicContact CG-CE1 4.22Å; R69-F82 HydrophobicContact CG-CE2 4.38Å; R69-F82 HydrophobicContact CG-CG 4.38Å; R69-F82 HydrophobicContact CG-CZ 4.28Å; R69-N84 PolarHBondContact NH2-OD1 2.86Å |
| 70 | A | 96 | Very high | 86.9 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 155.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | V54 V55 F82 Y83 L90 L91 L126 | V54-A70 CarbonylContact O-C 3.56Å; V54-A70 WeakPolarHBondContact O-CA 3.49Å; V55-A70 HydrophobicContact CG1-CB 4.17Å; A70-F82 WeakPolarHBondContact O-CA 3.47Å; A70-Y83 PolarHBondContact O-N 3.3Å; A70-L90 HydrophobicContact CB-CD2 3.87Å; A70-L91 HydrophobicContact CB-CD1 3.61Å; A70-L91 HydrophobicContact CB-CG 4.02Å; A70-L126 HydrophobicContact CB-CD2 4.27Å |
| 71 | G | 94.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -170.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V54 N81 L126 | V54-G71 PolarHBondContact N-O 3.5Å; V54-G71 PolarHBondContact O-N 3.33Å; V54-G71 VanDerWaalsContact O-O 3.09Å; G71-N81 CarbonylContact C-O 3.47Å; G71-N81 WeakPolarHBondContact CA-O 3.35Å; G71-L126 WeakPolarHBondContact O-CD2 3.06Å |
| 72 | Y | 93.9 | Very high | 87.5 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 28% | 0.275 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 150.1 | 177.1 | 53.6 | -90.2 | 0 | 0 | 0 | 109.4 | D52 T80 N81 T122 Q125 | D52-Y72 CarbonylContact O-C 3.53Å; D52-Y72 VanDerWaalsContact O-CA 3.24Å; D52-Y72 WeakPolarHBondContact O-CA 3.02Å; Y72-T80 CarbonylContact O-C 3.5Å; Y72-T80 WeakPolarHBondContact O-CA 3.48Å; Y72-N81 HydrophobicContact CE2-CB 4.11Å; Y72-N81 PolarHBondContact N-O 3.06Å; Y72-N81 PolarHBondContact O-N 2.98Å; Y72-T122 HydrophobicContact CD1-CG2 4.04Å; Y72-T122 HydrophobicContact CE1-CG2 3.96Å; Y72-Q125 WeakPolarHBondContact CB-O 3.45Å; Y72-Q125 HydrophobicContact CD1-CB 4.06Å; Y72-Q125 HydrophobicContact CD2-CB 3.99Å; Y72-Q125 HydrophobicContact CD2-CG 4.39Å; Y72-Q125 HydrophobicContact CG-CB 3.65Å |
| 73 | N | 89.6 | Confident | 87.8 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 152.9 | 175.9 | -71.7 | -21.1 | 0 | 0 | 0 | 110.6 | V49 G50 D52 T79 T80 | V49-N73 WeakPolarHBondContact CG1-ND2 3.41Å; G50-N73 WeakPolarHBondContact O-CB 3.41Å; D52-N73 HydrophobicContact CB-CB 4.45Å; D52-N73 PolarHBondContact O-N 3.24Å; D52-N73 PolarHBondContact OD2-ND2 3.38Å; N73-T79 CarbonylContact C-O 3.6Å; N73-T79 VanDerWaalsContact CA-O 3.3Å; N73-T79 WeakPolarHBondContact CA-O 3.46Å; N73-T80 WeakPolarHBondContact OD1-CB 3.41Å; N73-T80 PolarHBondContact OD1-OG1 2.95Å |
| 74 | D | 83.4 | Confident | 87.9 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | trans | -67.7 | 163.7 | 163.9 | 62 | 4.8 | 0 | 0 | 0 | 111.2 | G50 A76 G77 K78 T79 | G50-D74 CarbonylContact C-O 3.58Å; G50-D74 VanDerWaalsContact O-O 3.13Å; D74-A76 PolarHBondContact O-N 3.46Å; D74-G77 PolarHBondContact O-N 3.13Å; D74-G77 PolarHBondContact OD1-N 3.02Å; D74-K78 PolarHBondContact OD1-N 2.95Å; D74-T79 PolarHBondContact N-O 3.42Å; D74-T79 PolarHBondContact OD1-N 3.43Å; D74-T79 VanDerWaalsContact OD1-N 3.13Å; D74-T79 PolarHBondContact OD2-N 2.95Å; D74-T79 PolarHBondContact OD2-OG1 3.26Å | ||
| 75 | I | 78.4 | Confident | 88 | Confident | 149 Ų | 149 | 47 Ų | 47 | 76% | 0.764 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -29.1 | -179.4 | -61.2 | 170.7 | 0 | 0 | 0 | 111.9 | D51 G77 | D51-I75 HydrophobicContact CB-CG1 4.5Å; I75-G77 VanDerWaalsContact C-N 3.32Å |
| 76 | A | 74.1 | Confident | 88 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D74 K78 | D74-A76 PolarHBondContact O-N 3.46Å; A76-K78 HydrophobicContact CB-CB 4.36Å; A76-K78 HydrophobicContact CB-CD 4.14Å; A76-K78 HydrophobicContact CB-CG 3.95Å; A76-K78 PolarHBondContact O-N 3.02Å |
| 77 | G | 69.7 | Low | 87.8 | Confident | 21 Ų | 21 | 49 Ų | 49 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 67.4 | 19 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D74 I75 | D74-G77 PolarHBondContact O-N 3.13Å; D74-G77 PolarHBondContact OD1-N 3.02Å; I75-G77 VanDerWaalsContact C-N 3.32Å |
| 78 | K | 69.7 | Low | 87.4 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -98.6 | -26.2 | -171.6 | -69.9 | -172.1 | 177.1 | -170.3 | 0 | 113.2 | D74 A76 E253 | D74-K78 PolarHBondContact OD1-N 2.95Å; A76-K78 HydrophobicContact CB-CB 4.36Å; A76-K78 HydrophobicContact CB-CD 4.14Å; A76-K78 HydrophobicContact CB-CG 3.95Å; A76-K78 PolarHBondContact O-N 3.02Å; K78-E253 VanDerWaalsContact CE-OE1 3.31Å; K78-E253 WeakPolarHBondContact CE-OE1 3.46Å; K78-E253 IonicContact NZ-OE1 2.79Å; K78-E253 PolarHBondContact NZ-OE1 3.02Å; K78-E253 IonicContact NZ-OE2 2.85Å |
| 79 | T | 77.7 | Confident | 87.2 | Confident | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | trans | -132.7 | 133.7 | 178 | 62.2 | 0 | 0 | 0 | 0 | 110 | N73 D74 | N73-T79 CarbonylContact C-O 3.6Å; N73-T79 VanDerWaalsContact CA-O 3.3Å; N73-T79 WeakPolarHBondContact CA-O 3.46Å; D74-T79 PolarHBondContact N-O 3.42Å; D74-T79 PolarHBondContact OD1-N 3.43Å; D74-T79 VanDerWaalsContact OD1-N 3.13Å; D74-T79 PolarHBondContact OD2-N 2.95Å; D74-T79 PolarHBondContact OD2-OG1 3.26Å | ||
| 80 | T | 87.1 | Confident | 87.1 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 134.2 | 165.2 | -47.7 | 0 | 0 | 0 | 0 | 108 | V54 Y72 N73 G149 F150 | V54-T80 HydrophobicContact CB-CG2 4.09Å; V54-T80 HydrophobicContact CG1-CG2 4.28Å; V54-T80 HydrophobicContact CG2-CG2 4.15Å; Y72-T80 CarbonylContact O-C 3.5Å; Y72-T80 WeakPolarHBondContact O-CA 3.48Å; N73-T80 WeakPolarHBondContact OD1-CB 3.41Å; N73-T80 PolarHBondContact OD1-OG1 2.95Å; T80-G149 WeakPolarHBondContact O-CA 3.42Å; T80-F150 HydrophobicContact CG2-CD2 3.98Å |
| 81 | N | 91.1 | Very high | 87.1 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.9 | 173.6 | -61.4 | -60 | 0 | 0 | 0 | 108.7 | G71 Y72 D148 | G71-N81 CarbonylContact C-O 3.47Å; G71-N81 WeakPolarHBondContact CA-O 3.35Å; Y72-N81 HydrophobicContact CE2-CB 4.11Å; Y72-N81 PolarHBondContact N-O 3.06Å; Y72-N81 PolarHBondContact O-N 2.98Å; N81-D148 CarbonylContact C-O 3.47Å; N81-D148 WeakPolarHBondContact CA-O 3.29Å |
| 82 | F | 94.3 | Very high | 87.2 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.7 | 174.1 | -66.1 | -34.6 | 0 | 0 | 0 | 110.4 | Y58 R69 A70 N84 R145 D148 G149 F150 | Y58-F82 HydrophobicContact CD1-CZ 4.44Å; Y58-F82 HydrophobicContact CE1-CE2 4.37Å; Y58-F82 HydrophobicContact CE1-CZ 4.07Å; R69-F82 HydrophobicContact CB-CD1 3.66Å; R69-F82 HydrophobicContact CB-CE1 3.73Å; R69-F82 HydrophobicContact CB-CG 4.18Å; R69-F82 HydrophobicContact CB-CZ 4.28Å; R69-F82 HydrophobicContact CG-CD1 4.26Å; R69-F82 HydrophobicContact CG-CD2 4.42Å; R69-F82 HydrophobicContact CG-CE1 4.22Å; R69-F82 HydrophobicContact CG-CE2 4.38Å; R69-F82 HydrophobicContact CG-CG 4.38Å; R69-F82 HydrophobicContact CG-CZ 4.28Å; A70-F82 WeakPolarHBondContact O-CA 3.47Å; F82-N84 PolarHBondContact O-N 3.25Å; F82-R145 HydrophobicContact CE2-CG 4.38Å; F82-R145 HydrophobicContact CZ-CG 4.22Å; F82-D148 VanDerWaalsContact CD2-C 3.4Å; F82-D148 PolarHBondContact N-O 3.46Å; F82-G149 VanDerWaalsContact CD2-N 3.33Å; F82-G149 VanDerWaalsContact CE2-N 3.29Å; F82-F150 HydrophobicContact CD1-CE2 4.44Å; F82-F150 HydrophobicContact CE1-CD1 4.14Å; F82-F150 AromaticContact CE1-CD2 3.82Å; F82-F150 HydrophobicContact CE1-CD2 3.82Å; F82-F150 HydrophobicContact CE1-CE1 4Å; F82-F150 AromaticContact CE1-CE2 3.66Å; F82-F150 HydrophobicContact CE1-CE2 3.66Å; F82-F150 HydrophobicContact CE1-CG 4.04Å; F82-F150 AromaticContact CE1-CZ 3.73Å; F82-F150 HydrophobicContact CE1-CZ 3.73Å; F82-F150 HydrophobicContact CZ-CD1 4.24Å; F82-F150 HydrophobicContact CZ-CE1 4.19Å; F82-F150 HydrophobicContact CZ-CG 4.46Å; F82-F150 HydrophobicContact CZ-CZ 4.34Å |
| 83 | Y | 94.3 | Very high | 87.2 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 9% | 0.086 | 32% | 0.321 | C | S | . | . | trans | -68 | 131.5 | 170.7 | -180 | -106.1 | 0 | 0 | 0 | 109.8 | A70 G85 P86 D87 L90 D121 T122 L126 | A70-Y83 PolarHBondContact O-N 3.3Å; Y83-G85 VanDerWaalsContact OH-CA 3.23Å; Y83-G85 WeakPolarHBondContact OH-CA 3.2Å; Y83-P86 WeakPolarHBondContact OH-CD 3.41Å; Y83-D87 HydrophobicContact CE1-CB 4.17Å; Y83-D87 PolarHBondContact OH-N 2.96Å; Y83-L90 HydrophobicContact CD1-CD2 3.59Å; Y83-L90 HydrophobicContact CE1-CD2 3.9Å; Y83-L90 HydrophobicContact CG-CD2 4.17Å; Y83-D121 WeakPolarHBondContact CE2-OD2 3.44Å; Y83-D121 WeakPolarHBondContact OH-CB 3.43Å; Y83-D121 PolarHBondContact OH-OD2 3.38Å; Y83-T122 HydrophobicContact CD2-CG2 4.46Å; Y83-L126 HydrophobicContact CD2-CD1 3.9Å; Y83-L126 HydrophobicContact CE2-CD1 4.13Å; Y83-L126 HydrophobicContact CG-CD1 4.15Å | ||
| 84 | N | 90.1 | Very high | 87.3 | Confident | 120 Ų | 120 | 63 Ų | 63 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | trans | -134.7 | 27 | 176.2 | -61.8 | -51.4 | 0 | 0 | 0 | 110.7 | R69 F82 | R69-N84 PolarHBondContact NH2-OD1 2.86Å; F82-N84 PolarHBondContact O-N 3.25Å | ||
| 85 | G | 90.4 | Very high | 87.5 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -83.5 | -175.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y83 D87 | Y83-G85 VanDerWaalsContact OH-CA 3.23Å; Y83-G85 WeakPolarHBondContact OH-CA 3.2Å; G85-D87 VanDerWaalsContact C-N 3.33Å; G85-D87 PolarHBondContact O-N 3.36Å |
| 86 | P | 91.3 | Very high | 87.8 | Confident | 108 Ų | 108 | 64.4 Ų | 64.4 | 70% | 0.701 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -76.8 | -9.8 | -169.1 | 31.6 | -37.6 | 0 | 0 | 0 | 115.2 | Y83 E88 | Y83-P86 WeakPolarHBondContact OH-CD 3.41Å; P86-E88 VanDerWaalsContact C-N 3.28Å; P86-E88 PolarHBondContact O-N 2.85Å |
| 87 | D | 89.8 | Confident | 88.4 | Confident | 14 Ų | 14 | 67.4 Ų | 67.4 | 8% | 0.075 | 37% | 0.374 | C | S | . | . | trans | -76.8 | 77.7 | 178.7 | -169.3 | 3.2 | 0 | 0 | 0 | 110.7 | Y83 G85 E89 L90 R116 L120 | Y83-D87 HydrophobicContact CE1-CB 4.17Å; Y83-D87 PolarHBondContact OH-N 2.96Å; G85-D87 VanDerWaalsContact C-N 3.33Å; G85-D87 PolarHBondContact O-N 3.36Å; D87-E89 PolarHBondContact O-N 3.14Å; D87-L90 HydrophobicContact CB-CB 4.19Å; D87-L90 VanDerWaalsContact O-CB 3.24Å; D87-L90 WeakPolarHBondContact O-CB 3.2Å; D87-L90 PolarHBondContact O-N 3.48Å; D87-L90 VanDerWaalsContact O-N 3.15Å; D87-L90 PolarHBondContact OD1-N 3.12Å; D87-R116 IonicContact OD1-NE 3.44Å; D87-R116 IonicContact OD1-NH2 2.97Å; D87-R116 IonicContact OD2-NE 3.26Å; D87-L120 HydrophobicContact CB-CB 4.31Å; D87-L120 PolarHBondContact OD2-N 3.35Å | ||
| 88 | E | 87.4 | Confident | 89.7 | Confident | 182 Ų | 182 | 67.6 Ų | 67.6 | 85% | 0.85 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.7 | -179.9 | -65.5 | -175.5 | 174.3 | 0 | 0 | 112.7 | P86 | P86-E88 VanDerWaalsContact C-N 3.28Å; P86-E88 PolarHBondContact O-N 2.85Å |
| 89 | E | 91.7 | Very high | 90.9 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 11.6 | 178.4 | -69.5 | -166.3 | 157.6 | 0 | 0 | 113 | K19 Y23 D87 L91 R116 | K19-E89 IonicContact NZ-OE1 3.96Å; K19-E89 PolarHBondContact NZ-OE1 2.93Å; Y23-E89 WeakPolarHBondContact CE1-O 3.48Å; Y23-E89 PolarHBondContact OH-O 2.79Å; D87-E89 PolarHBondContact O-N 3.14Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.4Å; E89-R116 VanDerWaalsContact CB-NH2 3.3Å; E89-R116 IonicContact OE2-NH2 2.72Å; E89-R116 PolarHBondContact OE2-NH2 2.68Å |
| 90 | L | 94.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -57.2 | -42.3 | 174.3 | 175 | 63.9 | 0 | 0 | 0 | 111.2 | A70 Y83 D87 R115 R116 P119 L126 | A70-L90 HydrophobicContact CB-CD2 3.87Å; Y83-L90 HydrophobicContact CD1-CD2 3.59Å; Y83-L90 HydrophobicContact CE1-CD2 3.9Å; Y83-L90 HydrophobicContact CG-CD2 4.17Å; D87-L90 HydrophobicContact CB-CB 4.19Å; D87-L90 VanDerWaalsContact O-CB 3.24Å; D87-L90 WeakPolarHBondContact O-CB 3.2Å; D87-L90 PolarHBondContact O-N 3.48Å; D87-L90 VanDerWaalsContact O-N 3.15Å; D87-L90 PolarHBondContact OD1-N 3.12Å; L90-R115 HydrophobicContact CD1-CG 4.35Å; L90-R115 WeakPolarHBondContact O-CA 3.43Å; L90-R116 HydrophobicContact CD1-CB 4.3Å; L90-R116 PolarHBondContact O-N 3.23Å; L90-P119 HydrophobicContact CD1-CB 3.99Å; L90-P119 HydrophobicContact CD1-CG 4.09Å; L90-L126 HydrophobicContact CD2-CD1 3.64Å; L90-L126 HydrophobicContact CD2-CD2 4.36Å |
| 91 | L | 96.2 | Very high | 92 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.4 | 177.2 | -73.9 | 179.9 | 0 | 0 | 0 | 111.1 | V55 I68 A70 E89 T93 F113 R114 R115 | V55-L91 HydrophobicContact CG1-CD2 4.37Å; I68-L91 HydrophobicContact CG2-CD1 4.29Å; A70-L91 HydrophobicContact CB-CD1 3.61Å; A70-L91 HydrophobicContact CB-CG 4.02Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.4Å; L91-T93 HydrophobicContact CB-CG2 4.2Å; L91-F113 HydrophobicContact CD2-CD2 3.75Å; L91-F113 HydrophobicContact CD2-CE2 4.17Å; L91-R114 CarbonylContact C-O 3.52Å; L91-R114 VanDerWaalsContact CA-O 3.32Å; L91-R114 WeakPolarHBondContact CA-O 3.22Å; L91-R115 HydrophobicContact CD2-CB 3.7Å; L91-R115 HydrophobicContact CD2-CG 3.91Å |
| 92 | I | 96 | Very high | 92 | Very high | 42 Ų | 42 | 65 Ų | 65 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.4 | 167.1 | -51.7 | 171.5 | 0 | 0 | 0 | 107.1 | V18 Y23 L98 F113 R114 | V18-I92 HydrophobicContact CB-CD1 4.47Å; V18-I92 HydrophobicContact CG1-CD1 4.04Å; V18-I92 HydrophobicContact CG2-CD1 4.4Å; Y23-I92 HydrophobicContact CD1-CD1 4.12Å; Y23-I92 HydrophobicContact CD1-CG1 4.49Å; Y23-I92 HydrophobicContact CE1-CD1 3.74Å; Y23-I92 HydrophobicContact CE1-CG1 3.94Å; Y23-I92 HydrophobicContact CE2-CD1 4.39Å; I92-L98 HydrophobicContact CG2-CD1 3.87Å; I92-F113 WeakPolarHBondContact O-CA 3.22Å; I92-R114 HydrophobicContact CB-CB 4.14Å; I92-R114 PolarHBondContact N-O 2.7Å; I92-R114 PolarHBondContact O-N 2.86Å |
| 93 | T | 95.2 | Very high | 91.7 | Very high | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.233 | 39% | 0.387 | C | S | . | . | trans | -104.7 | -16.2 | -173.4 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | I68 L91 G99 | I68-T93 HydrophobicContact CB-CG2 3.68Å; I68-T93 HydrophobicContact CD1-CG2 4.21Å; I68-T93 HydrophobicContact CG2-CG2 3.9Å; L91-T93 HydrophobicContact CB-CG2 4.2Å; T93-G99 WeakPolarHBondContact O-CA 3.32Å; T93-G99 PolarHBondContact O-N 3.26Å | ||
| 94 | D | 90.7 | Very high | 91.2 | Very high | 124 Ų | 124 | 70.8 Ų | 70.8 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | trans | -125.1 | 149.6 | -173.5 | -58.1 | -64.8 | 0 | 0 | 0 | 111.2 | ||||
| 95 | G | 88.5 | Confident | 90.8 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 56% | 0.557 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 136.5 | -176.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N97 L98 | G95-N97 PolarHBondContact O-N 2.9Å; G95-L98 PolarHBondContact O-N 3.11Å; G95-L98 VanDerWaalsContact O-N 3.1Å |
| 96 | E | 83.3 | Confident | 90.2 | Very high | 172 Ų | 172 | 75.4 Ų | 75.4 | 80% | 0.804 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 122.6 | 177.5 | -76.3 | -172.2 | 161.3 | 0 | 0 | 111.3 | L98 | E96-L98 PolarHBondContact O-N 3.47Š|
| 97 | N | 87.7 | Confident | 89.8 | Confident | 126 Ų | 126 | 71 Ų | 71 | 67% | 0.674 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 7.6 | -177.8 | -51.5 | -63 | 0 | 0 | 0 | 115.7 | G95 R112 | G95-N97 PolarHBondContact O-N 2.9Å; N97-R112 VanDerWaalsContact O-CD 3.22Å; N97-R112 WeakPolarHBondContact O-CD 3.46Å |
| 98 | L | 95.6 | Very high | 89.8 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | trans | -98.3 | 168.6 | 172 | -57.5 | -176.4 | 0 | 0 | 0 | 110.7 | E25 I92 G95 E96 R112 R114 | E25-L98 HydrophobicContact CG-CD2 4.34Å; I92-L98 HydrophobicContact CG2-CD1 3.87Å; G95-L98 PolarHBondContact O-N 3.11Å; G95-L98 VanDerWaalsContact O-N 3.1Å; E96-L98 PolarHBondContact O-N 3.47Å; L98-R112 WeakPolarHBondContact CA-O 3.42Å; L98-R112 HydrophobicContact CD2-CB 4.41Å; L98-R112 HydrophobicContact CD2-CG 3.87Å; L98-R114 HydrophobicContact CD1-CG 4.15Å; L98-R114 HydrophobicContact CD2-CG 4.2Å | ||
| 99 | G | 94.8 | Very high | 90 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.6 | -161.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T93 C111 R112 | T93-G99 WeakPolarHBondContact O-CA 3.32Å; T93-G99 PolarHBondContact O-N 3.26Å; G99-C111 CarbonylContact O-C 3.52Å; G99-C111 VanDerWaalsContact O-CA 3.27Å; G99-C111 WeakPolarHBondContact O-CA 3.36Å; G99-R112 PolarHBondContact N-O 3.36Å; G99-R112 PolarHBondContact O-N 2.89Å |
| 100 | G | 94.9 | Very high | 90.1 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q110 | G100-Q110 CarbonylContact C-O 3.53Å; G100-Q110 WeakPolarHBondContact CA-O 3.4Å |
| 101 | T | 92.9 | Very high | 90.2 | Very high | 94 Ų | 94 | 60.5 Ų | 60.5 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.4 | 179.7 | 57 | 0 | 0 | 0 | 0 | 109.5 | Q110 | T101-Q110 PolarHBondContact N-O 3.39Å; T101-Q110 PolarHBondContact O-N 2.88Å |
| 102 | F | 91.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.2 | 173.8 | 174.5 | -107.6 | 0 | 0 | 0 | 108.7 | I32 V35 Y59 V66 A104 T108 L109 | I32-F102 HydrophobicContact CD1-CD2 3.99Å; I32-F102 HydrophobicContact CD1-CE2 3.69Å; I32-F102 HydrophobicContact CG1-CD2 4.45Å; I32-F102 HydrophobicContact CG1-CE2 3.86Å; V35-F102 HydrophobicContact CB-CE1 4.42Å; V35-F102 HydrophobicContact CB-CZ 4.46Å; V35-F102 HydrophobicContact CG1-CE1 3.88Å; V35-F102 HydrophobicContact CG1-CZ 3.91Å; Y59-F102 HydrophobicContact CD1-CB 4.23Å; Y59-F102 AromaticContact CD1-CD1 3.36Å; Y59-F102 HydrophobicContact CD1-CD1 3.36Å; Y59-F102 HydrophobicContact CD1-CD2 4.3Å; Y59-F102 AromaticContact CD1-CE1 3.71Å; Y59-F102 HydrophobicContact CD1-CE1 3.71Å; Y59-F102 AromaticContact CD1-CG 3.69Å; Y59-F102 HydrophobicContact CD1-CG 3.69Å; Y59-F102 HydrophobicContact CD1-CZ 4.33Å; Y59-F102 HydrophobicContact CD2-CB 3.53Å; Y59-F102 HydrophobicContact CD2-CD1 4.06Å; Y59-F102 AromaticContact CD2-CG 3.94Å; Y59-F102 HydrophobicContact CD2-CG 3.94Å; Y59-F102 AromaticContact CE1-CD1 3.34Å; Y59-F102 HydrophobicContact CE1-CD1 3.34Å; Y59-F102 AromaticContact CE1-CE1 3.67Å; Y59-F102 HydrophobicContact CE1-CE1 3.67Å; Y59-F102 HydrophobicContact CE1-CG 4.11Å; Y59-F102 HydrophobicContact CE2-CB 3.93Å; Y59-F102 AromaticContact CE2-CD1 4Å; Y59-F102 HydrophobicContact CE2-CD1 4Å; Y59-F102 HydrophobicContact CE2-CG 4.28Å; Y59-F102 HydrophobicContact CG-CB 3.71Å; Y59-F102 AromaticContact CG-CD1 3.77Å; Y59-F102 HydrophobicContact CG-CD1 3.77Å; Y59-F102 HydrophobicContact CG-CD2 4.28Å; Y59-F102 HydrophobicContact CG-CE1 4.49Å; Y59-F102 AromaticContact CG-CG 3.64Å; Y59-F102 HydrophobicContact CG-CG 3.64Å; Y59-F102 AromaticContact CZ-CD1 3.67Å; V66-F102 HydrophobicContact CG2-CB 4.16Å; F102-A104 HydrophobicContact CE1-CB 4.01Å; F102-T108 WeakPolarHBondContact CA-O 3.47Å; F102-T108 WeakPolarHBondContact CD2-O 3.49Å; F102-L109 HydrophobicContact CB-CD1 4.2Å; F102-L109 HydrophobicContact CD2-CB 4.27Å; F102-L109 HydrophobicContact CD2-CD1 4.42Å |
| 103 | N | 89 | Confident | 90.3 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 110.8 | 175 | 179.5 | 0.7 | 0 | 0 | 0 | 109.3 | M105 D106 G107 T108 | N103-M105 VanDerWaalsContact C-N 3.26Å; N103-M105 PolarHBondContact O-N 3.26Å; N103-M105 WeakPolarHBondContact OD1-CB 3.2Å; N103-M105 PolarHBondContact OD1-N 3.22Å; N103-D106 WeakPolarHBondContact CB-OD1 3.29Å; N103-D106 PolarHBondContact ND2-OD1 3.26Å; N103-G107 CarbonylContact O-C 3.43Å; N103-G107 VanDerWaalsContact O-CA 3.25Å; N103-G107 WeakPolarHBondContact O-CA 3.48Å; N103-G107 PolarHBondContact O-N 3.3Å; N103-T108 PolarHBondContact N-O 2.91Å; N103-T108 PolarHBondContact O-N 2.92Å |
| 104 | A | 83.2 | Confident | 90.3 | Very high | 80 Ų | 80 | 61.4 Ų | 61.4 | 66% | 0.661 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F102 | F102-A104 HydrophobicContact CE1-CB 4.01Š|
| 105 | M | 80.7 | Confident | 90.6 | Very high | 180 Ų | 180 | 55.5 Ų | 55.5 | 89% | 0.887 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -40.1 | -177.8 | -66 | -145.2 | -63.1 | 0 | 0 | 112.8 | N103 | N103-M105 VanDerWaalsContact C-N 3.26Å; N103-M105 PolarHBondContact O-N 3.26Å; N103-M105 WeakPolarHBondContact OD1-CB 3.2Å; N103-M105 PolarHBondContact OD1-N 3.22Å |
| 106 | D | 79.7 | Confident | 90.9 | Very high | 67 Ų | 67 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -6.4 | -179.9 | 69.4 | -7.6 | 0 | 0 | 0 | 112.9 | N31 N103 T108 | N31-D106 PolarHBondContact ND2-O 3.32Å; N103-D106 WeakPolarHBondContact CB-OD1 3.29Å; N103-D106 PolarHBondContact ND2-OD1 3.26Å; D106-T108 VanDerWaalsContact C-N 3.25Å; D106-T108 PolarHBondContact O-N 2.88Å; D106-T108 VanDerWaalsContact OD1-CB 3.22Å; D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 PolarHBondContact OD1-N 3.29Å; D106-T108 PolarHBondContact OD1-OG1 3.32Å; D106-T108 WeakPolarHBondContact OD2-CB 3.28Å; D106-T108 PolarHBondContact OD2-OG1 3.44Å |
| 107 | G | 82.6 | Confident | 91.5 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N31 I32 N103 | N31-G107 WeakPolarHBondContact CA-O 3.45Å; I32-G107 PolarHBondContact N-O 2.93Å; I32-G107 VanDerWaalsContact N-O 3.08Å; N103-G107 CarbonylContact O-C 3.43Å; N103-G107 VanDerWaalsContact O-CA 3.25Å; N103-G107 WeakPolarHBondContact O-CA 3.48Å; N103-G107 PolarHBondContact O-N 3.3Å |
| 108 | T | 88.3 | Confident | 91.9 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.1 | -178.5 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | R29 F102 N103 D106 | R29-T108 HydrophobicContact CG-CG2 3.64Å; F102-T108 WeakPolarHBondContact CA-O 3.47Å; F102-T108 WeakPolarHBondContact CD2-O 3.49Å; N103-T108 PolarHBondContact N-O 2.91Å; N103-T108 PolarHBondContact O-N 2.92Å; D106-T108 VanDerWaalsContact C-N 3.25Å; D106-T108 PolarHBondContact O-N 2.88Å; D106-T108 VanDerWaalsContact OD1-CB 3.22Å; D106-T108 WeakPolarHBondContact OD1-CB 3.48Å; D106-T108 PolarHBondContact OD1-N 3.29Å; D106-T108 PolarHBondContact OD1-OG1 3.32Å; D106-T108 WeakPolarHBondContact OD2-CB 3.28Å; D106-T108 PolarHBondContact OD2-OG1 3.44Å |
| 109 | L | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.2 | 166.9 | -179.8 | 61.1 | 0 | 0 | 0 | 108.8 | R29 G30 I32 I39 C57 V66 F102 | R29-L109 CarbonylContact C-O 3.44Å; R29-L109 VanDerWaalsContact CA-O 3.27Å; R29-L109 WeakPolarHBondContact CA-O 3.31Å; G30-L109 PolarHBondContact N-O 2.77Å; G30-L109 PolarHBondContact O-N 2.96Å; I32-L109 HydrophobicContact CD1-CB 4.06Å; I32-L109 HydrophobicContact CD1-CD2 4.16Å; I32-L109 HydrophobicContact CG1-CB 4.22Å; I32-L109 HydrophobicContact CG2-CB 3.83Å; I32-L109 HydrophobicContact CG2-CD2 3.97Å; I39-L109 HydrophobicContact CG2-CD2 3.98Å; I39-L109 HydrophobicContact CG2-CG 4.3Å; C57-L109 WeakPolarHBondContact O-CD2 3.31Å; V66-L109 HydrophobicContact CB-CD1 4.29Å; V66-L109 HydrophobicContact CG1-CD1 3.75Å; V66-L109 HydrophobicContact CG2-CD1 3.5Å; F102-L109 HydrophobicContact CB-CD1 4.2Å; F102-L109 HydrophobicContact CD2-CB 4.27Å; F102-L109 HydrophobicContact CD2-CD1 4.42Å |
| 110 | Q | 93.5 | Very high | 91.7 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 137.4 | 174.1 | -177.1 | 171.3 | -2.3 | 0 | 0 | 110.3 | E27 L28 R29 G100 T101 | E27-Q110 PolarHBondContact OE1-NE2 3.14Å; L28-Q110 CarbonylContact O-C 3.55Å; L28-Q110 VanDerWaalsContact O-CA 3.24Å; L28-Q110 WeakPolarHBondContact O-CA 3.49Å; R29-Q110 HydrophobicContact CB-CB 4.31Å; R29-Q110 HydrophobicContact CB-CG 4.15Å; R29-Q110 HydrophobicContact CG-CB 4.23Å; R29-Q110 HydrophobicContact CG-CG 4.4Å; G100-Q110 CarbonylContact C-O 3.53Å; G100-Q110 WeakPolarHBondContact CA-O 3.4Å; T101-Q110 PolarHBondContact N-O 3.39Å; T101-Q110 PolarHBondContact O-N 2.88Å |
| 111 | C | 96.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 144.4 | 173.7 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | E27 L28 C57 V66 I68 G99 | E27-C111 CarbonylContact C-O 3.57Å; E27-C111 VanDerWaalsContact CA-O 3.31Å; E27-C111 WeakPolarHBondContact CA-O 3.48Å; L28-C111 PolarHBondContact N-O 2.99Å; L28-C111 PolarHBondContact O-N 3.28Å; C57-C111 HydrophobicContact CB-CB 3.59Å; C57-C111 WeakPolarHBondContact CB-SG 3.37Å; C57-C111 WeakPolarHBondContact SG-CB 3.24Å; C57-C111 CovalentContact SG-SG 2.03Å; C57-C111 PolarHBondContact SG-SG 3.05Å; V66-C111 HydrophobicContact CG1-CB 4.2Å; I68-C111 HydrophobicContact CD1-CB 3.99Å; I68-C111 HydrophobicContact CG1-CB 4Å; G99-C111 CarbonylContact O-C 3.52Å; G99-C111 VanDerWaalsContact O-CA 3.27Å; G99-C111 WeakPolarHBondContact O-CA 3.36Å |
| 112 | R | 96.8 | Very high | 91.2 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 25% | 0.249 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.8 | 174.3 | -166.2 | 177.3 | -57.1 | -176.3 | -4.6 | 109.9 | E25 F26 E27 N97 L98 G99 | E25-R112 HydrophobicContact CG-CG 4.05Å; F26-R112 VanDerWaalsContact O-CA 3.26Å; F26-R112 WeakPolarHBondContact O-CA 3.34Å; F26-R112 WeakPolarHBondContact O-CG 3.47Å; E27-R112 HydrophobicContact CB-CB 4.45Å; E27-R112 HydrophobicContact CB-CG 4.2Å; E27-R112 IonicContact OE1-CZ 3.85Å; E27-R112 IonicContact OE1-NE 3.78Å; E27-R112 PolarHBondContact OE1-NE 3.46Å; E27-R112 IonicContact OE1-NH2 3.44Å; E27-R112 PolarHBondContact OE1-NH2 3.17Å; E27-R112 IonicContact OE2-CZ 3.88Å; E27-R112 IonicContact OE2-NE 2.79Å; E27-R112 IonicContact OE2-NH2 3.75Å; E27-R112 PolarHBondContact OE2-NH2 3.16Å; N97-R112 VanDerWaalsContact O-CD 3.22Å; N97-R112 WeakPolarHBondContact O-CD 3.46Å; L98-R112 WeakPolarHBondContact CA-O 3.42Å; L98-R112 HydrophobicContact CD2-CB 4.41Å; L98-R112 HydrophobicContact CD2-CG 3.87Å; G99-R112 PolarHBondContact N-O 3.36Å; G99-R112 PolarHBondContact O-N 2.89Å |
| 113 | F | 97.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 163.3 | -177.5 | 54.2 | -87.7 | 0 | 0 | 0 | 110.7 | E25 F26 L28 V55 I68 L91 I92 | E25-F113 CarbonylContact C-O 3.57Å; E25-F113 WeakPolarHBondContact CA-O 3.4Å; F26-F113 HydrophobicContact CB-CD2 4.35Å; F26-F113 HydrophobicContact CB-CE1 4.27Å; F26-F113 HydrophobicContact CB-CE2 3.86Å; F26-F113 HydrophobicContact CB-CZ 3.82Å; F26-F113 HydrophobicContact CD2-CD2 4.44Å; F26-F113 AromaticContact CD2-CE2 3.87Å; F26-F113 HydrophobicContact CD2-CE2 3.87Å; F26-F113 HydrophobicContact CG-CE2 4.18Å; F26-F113 HydrophobicContact CG-CZ 4.39Å; F26-F113 PolarHBondContact N-O 3.17Å; F26-F113 PolarHBondContact O-N 3.16Å; L28-F113 HydrophobicContact CD1-CE1 3.95Å; L28-F113 HydrophobicContact CD1-CZ 4.12Å; L28-F113 HydrophobicContact CG-CE1 4.11Å; L28-F113 HydrophobicContact CG-CZ 4.42Å; V55-F113 HydrophobicContact CB-CE2 3.7Å; V55-F113 HydrophobicContact CB-CZ 3.74Å; V55-F113 HydrophobicContact CG1-CE2 4.14Å; V55-F113 HydrophobicContact CG2-CE2 3.81Å; V55-F113 HydrophobicContact CG2-CZ 3.69Å; I68-F113 HydrophobicContact CB-CD1 4.5Å; I68-F113 HydrophobicContact CD1-CB 3.99Å; I68-F113 HydrophobicContact CD1-CD1 4.1Å; I68-F113 HydrophobicContact CD1-CG 4.45Å; I68-F113 HydrophobicContact CG1-CD1 4.28Å; I68-F113 HydrophobicContact CG2-CB 3.83Å; I68-F113 HydrophobicContact CG2-CD1 3.44Å; I68-F113 VanDerWaalsContact CG2-CD1 3.44Å; I68-F113 HydrophobicContact CG2-CD2 4.08Å; I68-F113 HydrophobicContact CG2-CE1 3.96Å; I68-F113 HydrophobicContact CG2-CG 3.51Å; I68-F113 HydrophobicContact CG2-CZ 4.48Å; L91-F113 HydrophobicContact CD2-CD2 3.75Å; L91-F113 HydrophobicContact CD2-CE2 4.17Å; I92-F113 WeakPolarHBondContact O-CA 3.22Å |
| 114 | R | 96.2 | Very high | 90.9 | Very high | 62 Ų | 62 | 52.5 Ų | 52.5 | 23% | 0.234 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.9 | 173.3 | -56.1 | 177.1 | 177.2 | 151.5 | 5.2 | 109.6 | V16 Y23 V24 E25 L91 I92 L98 | V16-R114 HydrophobicContact CG2-CG 4.44Å; Y23-R114 HydrophobicContact CD1-CB 3.86Å; Y23-R114 HydrophobicContact CG-CB 4.34Å; V24-R114 CarbonylContact O-C 3.5Å; V24-R114 WeakPolarHBondContact O-CA 2.93Å; E25-R114 HydrophobicContact CB-CG 3.99Å; E25-R114 HydrophobicContact CG-CG 4.09Å; E25-R114 IonicContact OE2-CZ 2.68Å; E25-R114 IonicContact OE2-NE 3.35Å; E25-R114 PolarHBondContact OE2-NE 2.79Å; E25-R114 IonicContact OE2-NH2 3.78Å; E25-R114 PolarHBondContact OE2-NH2 2.98Å; L91-R114 CarbonylContact C-O 3.52Å; L91-R114 VanDerWaalsContact CA-O 3.32Å; L91-R114 WeakPolarHBondContact CA-O 3.22Å; I92-R114 HydrophobicContact CB-CB 4.14Å; I92-R114 PolarHBondContact N-O 2.7Å; I92-R114 PolarHBondContact O-N 2.86Å; L98-R114 HydrophobicContact CD1-CG 4.15Å; L98-R114 HydrophobicContact CD2-CG 4.2Å |
| 115 | R | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133 | 173.7 | -175.7 | -177.6 | 138.1 | 152.4 | 1.1 | 110.4 | Y23 V24 F26 V55 L90 L91 V117 L126 M127 | Y23-R115 CarbonylContact C-O 3.52Å; Y23-R115 WeakPolarHBondContact CA-O 3.43Å; V24-R115 PolarHBondContact N-O 3.01Å; V24-R115 PolarHBondContact O-N 3.04Å; F26-R115 HydrophobicContact CD2-CB 4.3Å; F26-R115 HydrophobicContact CE2-CB 4.09Å; V55-R115 HydrophobicContact CG1-CG 4.42Å; L90-R115 HydrophobicContact CD1-CG 4.35Å; L90-R115 WeakPolarHBondContact O-CA 3.43Å; L91-R115 HydrophobicContact CD2-CB 3.7Å; L91-R115 HydrophobicContact CD2-CG 3.91Å; R115-V117 PolarHBondContact O-N 3.09Å; R115-L126 VanDerWaalsContact CZ-O 3.24Å; R115-L126 PolarHBondContact NH1-O 2.81Å; R115-L126 PolarHBondContact NH2-O 3.07Å; R115-M127 PolarHBondContact NH2-O 3.41Å |
| 116 | R | 96.1 | Very high | 92 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 135.2 | 174.9 | -167 | -173.7 | -64.9 | -78 | 0.1 | 109.7 | E21 Y23 D87 E89 L90 R118 | E21-R116 IonicContact OE2-NH1 2.75Å; E21-R116 PolarHBondContact OE2-NH1 3.31Å; Y23-R116 HydrophobicContact CD1-CB 4.26Å; Y23-R116 HydrophobicContact CE1-CB 3.82Å; Y23-R116 PolarHBondContact OH-NH2 3Å; D87-R116 IonicContact OD1-NE 3.44Å; D87-R116 IonicContact OD1-NH2 2.97Å; D87-R116 IonicContact OD2-NE 3.26Å; E89-R116 VanDerWaalsContact CB-NH2 3.3Å; E89-R116 IonicContact OE2-NH2 2.72Å; E89-R116 PolarHBondContact OE2-NH2 2.68Å; L90-R116 HydrophobicContact CD1-CB 4.3Å; L90-R116 PolarHBondContact O-N 3.23Å; R116-R118 WeakPolarHBondContact CD-O 3.32Å; R116-R118 WeakPolarHBondContact CG-O 3.27Å |
| 117 | V | 95.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -59.5 | -50.6 | -178.2 | 168 | 0 | 0 | 0 | 0 | 110.6 | L15 N22 V24 R115 L129 T130 T168 | L15-V117 HydrophobicContact CD1-CG2 3.87Å; N22-V117 HydrophobicContact CB-CB 4.34Å; N22-V117 HydrophobicContact CB-CG2 3.86Å; N22-V117 WeakPolarHBondContact O-CG2 3.45Å; N22-V117 PolarHBondContact O-N 3.17Å; V24-V117 HydrophobicContact CG2-CG2 3.88Å; R115-V117 PolarHBondContact O-N 3.09Å; V117-L129 HydrophobicContact CG1-CB 4.21Å; V117-L129 WeakPolarHBondContact O-CB 3.47Å; V117-L129 PolarHBondContact O-N 2.94Å; V117-T130 WeakPolarHBondContact CG1-OG1 3.3Å; V117-T168 HydrophobicContact CG1-CG2 3.84Å; V117-T168 HydrophobicContact CG2-CG2 3.92Å |
| 118 | R | 95.1 | Very high | 93.3 | Very high | 140 Ų | 140 | 40.6 Ų | 40.6 | 53% | 0.528 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -111.8 | 110 | 176.4 | -179.2 | 173.9 | 170.9 | 91.2 | -0.4 | 109.3 | R116 D128 | R116-R118 WeakPolarHBondContact CD-O 3.32Å; R116-R118 WeakPolarHBondContact CG-O 3.27Å; R118-D128 IonicContact CZ-OD2 3.94Å; R118-D128 IonicContact NH1-OD2 3.48Å; R118-D128 PolarHBondContact NH1-OD2 3.26Å |
| 119 | P | 93.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | trans | -56.3 | 148.1 | 172.7 | -23.8 | 33.8 | 0 | 0 | 0 | 111.6 | L90 D121 V123 L126 | L90-P119 HydrophobicContact CD1-CB 3.99Å; L90-P119 HydrophobicContact CD1-CG 4.09Å; P119-D121 WeakPolarHBondContact CB-O 3.22Å; P119-V123 VanDerWaalsContact O-CG2 3.31Å; P119-V123 WeakPolarHBondContact O-CG2 3.35Å; P119-L126 HydrophobicContact CB-CB 4.34Å; P119-L126 HydrophobicContact CB-CD1 3.94Å; P119-L126 HydrophobicContact CG-CB 3.79Å; P119-L126 HydrophobicContact CG-CD1 4.19Å | ||
| 120 | L | 92.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 42.3 Ų | 42.3 | 65% | 0.649 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -83.2 | -17.9 | 175.6 | -61.8 | -179.6 | 0 | 0 | 0 | 113.1 | D87 | D87-L120 HydrophobicContact CB-CB 4.31Å; D87-L120 PolarHBondContact OD2-N 3.35Å |
| 121 | D | 91.2 | Very high | 93.2 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -142.6 | 158.8 | -179.2 | 169.4 | 45.8 | 0 | 0 | 0 | 109.7 | Y83 P119 V123 | Y83-D121 WeakPolarHBondContact CE2-OD2 3.44Å; Y83-D121 WeakPolarHBondContact OH-CB 3.43Å; Y83-D121 PolarHBondContact OH-OD2 3.38Å; P119-D121 WeakPolarHBondContact CB-O 3.22Å; D121-V123 PolarHBondContact O-N 3.13Å |
| 122 | T | 86.8 | Confident | 92.8 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 54.1 | 33.9 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | Y72 Y83 H124 Q125 L126 | Y72-T122 HydrophobicContact CD1-CG2 4.04Å; Y72-T122 HydrophobicContact CE1-CG2 3.96Å; Y83-T122 HydrophobicContact CD2-CG2 4.46Å; T122-H124 VanDerWaalsContact C-N 3.27Å; T122-H124 PolarHBondContact O-N 3.41Å; T122-Q125 HydrophobicContact CG2-CB 3.75Å; T122-Q125 HydrophobicContact CG2-CG 4.16Å; T122-Q125 PolarHBondContact O-N 2.92Å; T122-Q125 PolarHBondContact O-OE1 3.24Å; T122-L126 HydrophobicContact CG2-CD1 4.39Å; T122-L126 HydrophobicContact CG2-CG 4.11Å; T122-L126 WeakPolarHBondContact O-CB 3.44Å; T122-L126 PolarHBondContact O-N 3.5Å |
| 123 | V | 86.4 | Confident | 92.6 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 19% | 0.194 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.2 | -38.4 | -168.8 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | P119 D121 M127 D128 | P119-V123 VanDerWaalsContact O-CG2 3.31Å; P119-V123 WeakPolarHBondContact O-CG2 3.35Å; D121-V123 PolarHBondContact O-N 3.13Å; V123-M127 CarbonylContact O-C 3.52Å; V123-M127 WeakPolarHBondContact O-CA 3.34Å; V123-M127 PolarHBondContact O-N 3.42Å; V123-D128 HydrophobicContact CG1-CB 3.88Å |
| 124 | H | 88.1 | Confident | 92.3 | Very high | 154 Ų | 154 | 50.2 Ų | 50.2 | 71% | 0.713 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.8 | -42.5 | -178.6 | -67 | -53.7 | 0 | 0 | 0 | 112.4 | T122 M127 | T122-H124 VanDerWaalsContact C-N 3.27Å; T122-H124 PolarHBondContact O-N 3.41Å; H124-M127 VanDerWaalsContact O-CE 3.25Å; H124-M127 WeakPolarHBondContact O-CE 3.45Å; H124-M127 VanDerWaalsContact O-SD 3.38Å |
| 125 | Q | 92.5 | Very high | 92.1 | Very high | 73 Ų | 73 | 48 Ų | 48 | 34% | 0.341 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -81.1 | -37 | -177.3 | -52.5 | 86.6 | -29.6 | 0 | 0 | 111.5 | G53 Y72 T122 M127 | G53-Q125 WeakPolarHBondContact CA-O 3.4Å; G53-Q125 PolarHBondContact N-O 3.18Å; Y72-Q125 WeakPolarHBondContact CB-O 3.45Å; Y72-Q125 HydrophobicContact CD1-CB 4.06Å; Y72-Q125 HydrophobicContact CD2-CB 3.99Å; Y72-Q125 HydrophobicContact CD2-CG 4.39Å; Y72-Q125 HydrophobicContact CG-CB 3.65Å; T122-Q125 HydrophobicContact CG2-CB 3.75Å; T122-Q125 HydrophobicContact CG2-CG 4.16Å; T122-Q125 PolarHBondContact O-N 2.92Å; T122-Q125 PolarHBondContact O-OE1 3.24Å; Q125-M127 VanDerWaalsContact C-N 3.27Å; Q125-M127 PolarHBondContact O-N 3.01Å |
| 126 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.5 | -20.6 | 175.6 | -73.8 | 172 | 0 | 0 | 0 | 112.7 | G53 A70 G71 Y83 L90 R115 P119 T122 | G53-L126 WeakPolarHBondContact CA-O 3.34Å; A70-L126 HydrophobicContact CB-CD2 4.27Å; G71-L126 WeakPolarHBondContact O-CD2 3.06Å; Y83-L126 HydrophobicContact CD2-CD1 3.9Å; Y83-L126 HydrophobicContact CE2-CD1 4.13Å; Y83-L126 HydrophobicContact CG-CD1 4.15Å; L90-L126 HydrophobicContact CD2-CD1 3.64Å; L90-L126 HydrophobicContact CD2-CD2 4.36Å; R115-L126 VanDerWaalsContact CZ-O 3.24Å; R115-L126 PolarHBondContact NH1-O 2.81Å; R115-L126 PolarHBondContact NH2-O 3.07Å; P119-L126 HydrophobicContact CB-CB 4.34Å; P119-L126 HydrophobicContact CB-CD1 3.94Å; P119-L126 HydrophobicContact CG-CB 3.79Å; P119-L126 HydrophobicContact CG-CD1 4.19Å; T122-L126 HydrophobicContact CG2-CD1 4.39Å; T122-L126 HydrophobicContact CG2-CG 4.11Å; T122-L126 WeakPolarHBondContact O-CB 3.44Å; T122-L126 PolarHBondContact O-N 3.5Å |
| 127 | M | 94.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | 72.1 | 122.9 | -173.9 | -54.3 | -65.9 | 158.1 | 0 | 0 | 113.8 | F43 D51 R115 V123 H124 Q125 L129 Y135 | F43-M127 HydrophobicContact CB-CB 4.21Å; F43-M127 HydrophobicContact CB-CG 4.23Å; D51-M127 WeakPolarHBondContact O-CE 3.38Å; R115-M127 PolarHBondContact NH2-O 3.41Å; V123-M127 CarbonylContact O-C 3.52Å; V123-M127 WeakPolarHBondContact O-CA 3.34Å; V123-M127 PolarHBondContact O-N 3.42Å; H124-M127 VanDerWaalsContact O-CE 3.25Å; H124-M127 WeakPolarHBondContact O-CE 3.45Å; H124-M127 VanDerWaalsContact O-SD 3.38Å; Q125-M127 VanDerWaalsContact C-N 3.27Å; Q125-M127 PolarHBondContact O-N 3.01Å; M127-L129 HydrophobicContact CB-CD2 4.48Å; M127-L129 PolarHBondContact O-N 3.23Å; M127-Y135 HydrophobicContact CB-CE1 4.08Å; M127-Y135 HydrophobicContact CB-CE2 4.29Å; M127-Y135 HydrophobicContact CG-CE1 4.18Å; M127-Y135 HydrophobicContact SD-CE1 3.85Å | ||
| 128 | D | 95.6 | Very high | 91.1 | Very high | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | trans | -78.1 | 120 | 173 | -174.3 | -8.4 | 0 | 0 | 0 | 110 | R118 V123 T130 N133 Y135 | R118-D128 IonicContact CZ-OD2 3.94Å; R118-D128 IonicContact NH1-OD2 3.48Å; R118-D128 PolarHBondContact NH1-OD2 3.26Å; V123-D128 HydrophobicContact CG1-CB 3.88Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 WeakPolarHBondContact OD1-CB 3.28Å; D128-T130 PolarHBondContact OD1-N 3.47Å; D128-T130 PolarHBondContact OD1-OG1 2.91Å; D128-N133 WeakPolarHBondContact O-CB 3.37Å; D128-N133 PolarHBondContact O-ND2 3.39Å; D128-Y135 VanDerWaalsContact O-CE2 3.26Å; D128-Y135 WeakPolarHBondContact O-CE2 3.45Å; D128-Y135 PolarHBondContact O-OH 2.97Å | ||
| 129 | L | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -86.2 | 0.1 | -177.4 | -49 | -171 | 0 | 0 | 0 | 112.9 | V24 F26 F43 V117 M127 Y135 I167 T168 | V24-L129 HydrophobicContact CG2-CD1 4.25Å; F26-L129 HydrophobicContact CE2-CD1 4.37Å; F26-L129 HydrophobicContact CZ-CD1 4.15Å; F43-L129 HydrophobicContact CD1-CD2 4.41Å; F43-L129 HydrophobicContact CD2-CD2 4.11Å; F43-L129 HydrophobicContact CE2-CD1 4.47Å; F43-L129 HydrophobicContact CE2-CD2 4.44Å; F43-L129 HydrophobicContact CG-CD2 4.1Å; F43-L129 HydrophobicContact CZ-CD1 4.35Å; V117-L129 HydrophobicContact CG1-CB 4.21Å; V117-L129 WeakPolarHBondContact O-CB 3.47Å; V117-L129 PolarHBondContact O-N 2.94Å; M127-L129 HydrophobicContact CB-CD2 4.48Å; M127-L129 PolarHBondContact O-N 3.23Å; L129-Y135 HydrophobicContact CD2-CD2 4.18Å; L129-Y135 HydrophobicContact CD2-CE2 3.95Å; L129-I167 HydrophobicContact CD1-CD1 4.25Å; L129-I167 HydrophobicContact CD1-CG2 4.42Å; L129-I167 HydrophobicContact CD2-CD1 3.93Å; L129-T168 WeakPolarHBondContact O-CG2 3.46Å | ||
| 130 | T | 92 | Very high | 90.4 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | trans | -61.7 | 135 | 180 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | V117 D128 N133 | V117-T130 WeakPolarHBondContact CG1-OG1 3.3Å; D128-T130 VanDerWaalsContact C-N 3.29Å; D128-T130 WeakPolarHBondContact OD1-CB 3.28Å; D128-T130 PolarHBondContact OD1-N 3.47Å; D128-T130 PolarHBondContact OD1-OG1 2.91Å; T130-N133 WeakPolarHBondContact O-CB 3.46Å; T130-N133 PolarHBondContact O-N 3.39Å; T130-N133 PolarHBondContact O-ND2 3.38Å | ||
| 131 | S | 85.3 | Confident | 90.1 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 52% | 0.524 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 135.7 | 170.7 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 132 | P | 88.4 | Confident | 89.7 | Confident | 111 Ų | 111 | 34 Ų | 34 | 72% | 0.721 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -96.1 | 15.5 | 15.1 | 38.2 | -36.6 | 0 | 0 | 0 | 115.1 | A134 | P132-A134 PolarHBondContact O-N 2.95Š|
| 133 | N | 92.7 | Very high | 89.3 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | trans | -60.5 | 129.6 | -178.2 | -61.7 | -29.1 | 0 | 0 | 0 | 110.7 | D128 T130 Y135 | D128-N133 WeakPolarHBondContact O-CB 3.37Å; D128-N133 PolarHBondContact O-ND2 3.39Å; T130-N133 WeakPolarHBondContact O-CB 3.46Å; T130-N133 PolarHBondContact O-N 3.39Å; T130-N133 PolarHBondContact O-ND2 3.38Å; N133-Y135 HydrophobicContact CB-CE2 3.81Å | ||
| 134 | A | 90.1 | Very high | 89.1 | Confident | 40 Ų | 40 | 39 Ų | 39 | 33% | 0.331 | 22% | 0.216 | S | C | . | . | trans | -129.1 | 135.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P132 P164 V165 V166 | P132-A134 PolarHBondContact O-N 2.95Å; A134-P164 HydrophobicContact CB-CB 3.9Å; A134-V165 WeakPolarHBondContact CA-O 3.43Å; A134-V166 HydrophobicContact CB-CG2 3.78Å | ||
| 135 | Y | 92.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -129.6 | 146.6 | -174.5 | -59.3 | -75.6 | 0 | 0 | 0 | 111.3 | F43 S44 K45 M127 D128 L129 N133 P164 V165 I167 | F43-Y135 HydrophobicContact CB-CD1 4.49Å; F43-Y135 HydrophobicContact CB-CD2 4.31Å; F43-Y135 HydrophobicContact CB-CG 4.05Å; S44-Y135 CarbonylContact O-C 3.52Å; S44-Y135 VanDerWaalsContact O-CA 3.26Å; S44-Y135 WeakPolarHBondContact O-CA 3.39Å; S44-Y135 WeakPolarHBondContact O-CB 3.36Å; K45-Y135 HydrophobicContact CG-CD1 4.3Å; K45-Y135 HydrophobicContact CG-CE1 4.18Å; M127-Y135 HydrophobicContact CB-CE1 4.08Å; M127-Y135 HydrophobicContact CB-CE2 4.29Å; M127-Y135 HydrophobicContact CG-CE1 4.18Å; M127-Y135 HydrophobicContact SD-CE1 3.85Å; D128-Y135 VanDerWaalsContact O-CE2 3.26Å; D128-Y135 WeakPolarHBondContact O-CE2 3.45Å; D128-Y135 PolarHBondContact O-OH 2.97Å; L129-Y135 HydrophobicContact CD2-CD2 4.18Å; L129-Y135 HydrophobicContact CD2-CE2 3.95Å; N133-Y135 HydrophobicContact CB-CE2 3.81Å; Y135-P164 CarbonylContact O-C 3.5Å; Y135-P164 WeakPolarHBondContact O-CA 3.26Å; Y135-V165 PolarHBondContact N-O 3.26Å; Y135-V165 PolarHBondContact O-N 3.29Å; Y135-I167 HydrophobicContact CD2-CD1 4.47Å |
| 136 | H | 89.8 | Confident | 88.5 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 10% | 0.102 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 133.2 | 160.4 | -71.3 | -84 | 0 | 0 | 0 | 109 | S44 D46 V160 S161 Q162 | S44-H136 PolarHBondContact N-O 3.05Å; S44-H136 PolarHBondContact O-N 3.47Å; D46-H136 WeakPolarHBondContact O-CB 3.49Å; H136-V160 HydrophobicContact CB-CG1 4.45Å; H136-S161 WeakPolarHBondContact CA-OG 3.31Å; H136-S161 PolarHBondContact ND1-O 3.45Å; H136-Q162 PolarHBondContact CE1-O 3.11Å |
| 137 | L | 89.9 | Confident | 88 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.6 | 177.9 | -59.8 | -174.2 | 0 | 0 | 0 | 108.4 | W13 L41 F43 V160 S161 V165 I167 M175 | W13-L137 HydrophobicContact CE3-CD1 4.28Å; W13-L137 HydrophobicContact CH2-CD1 3.38Å; W13-L137 HydrophobicContact CZ2-CD1 3.97Å; W13-L137 HydrophobicContact CZ3-CD1 3.55Å; L41-L137 HydrophobicContact CD1-CB 4.01Å; L41-L137 HydrophobicContact CD1-CD2 4.38Å; F43-L137 HydrophobicContact CD1-CD2 3.72Å; F43-L137 HydrophobicContact CE1-CD2 4.07Å; L137-V160 CarbonylContact O-C 3.34Å; L137-V160 WeakPolarHBondContact O-CA 3.49Å; L137-S161 PolarHBondContact N-OG 2.94Å; L137-S161 PolarHBondContact O-N 3.2Å; L137-V165 HydrophobicContact CD1-CB 4.46Å; L137-V165 HydrophobicContact CD1-CG2 4.46Å; L137-V165 HydrophobicContact CG-CB 4.5Å; L137-I167 HydrophobicContact CD2-CD1 3.9Å; L137-I167 HydrophobicContact CD2-CG1 4.19Å; L137-M175 HydrophobicContact CB-SD 3.84Å; L137-M175 HydrophobicContact CD1-SD 4.32Å |
| 138 | I | 87.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108 | 177.9 | -48.1 | -176.9 | 0 | 0 | 0 | 108.5 | L41 A42 R48 V49 T140 S159 V160 | L41-I138 CarbonylContact C-O 3.57Å; L41-I138 WeakPolarHBondContact CA-O 3.36Å; A42-I138 HydrophobicContact CB-CB 4.19Å; A42-I138 PolarHBondContact N-O 3.33Å; A42-I138 PolarHBondContact O-N 3.4Å; R48-I138 WeakPolarHBondContact O-CD1 3.37Å; V49-I138 HydrophobicContact CG2-CD1 4.14Å; V49-I138 HydrophobicContact CG2-CG2 4.04Å; I138-T140 HydrophobicContact CG2-CG2 3.97Å; I138-S159 CarbonylContact C-O 3.55Å; I138-S159 VanDerWaalsContact CA-O 3.32Å; I138-S159 WeakPolarHBondContact CA-O 3.45Å; I138-V160 HydrophobicContact CB-CG2 4.38Å; I138-V160 HydrophobicContact CD1-CG2 4.32Å; I138-V160 HydrophobicContact CG1-CB 4.49Å; I138-V160 HydrophobicContact CG1-CG1 4.11Å; I138-V160 HydrophobicContact CG1-CG2 3.99Å; I138-V160 HydrophobicContact CG2-CG2 3.91Å |
| 139 | V | 88.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 132.9 | 170.8 | -168.9 | 0 | 0 | 0 | 0 | 107.7 | F9 V11 I39 A40 L41 E158 S159 | F9-V139 HydrophobicContact CD2-CB 3.89Å; F9-V139 HydrophobicContact CD2-CG1 3.56Å; F9-V139 HydrophobicContact CD2-CG2 4.05Å; F9-V139 HydrophobicContact CE2-CB 3.82Å; F9-V139 HydrophobicContact CE2-CG1 4.03Å; F9-V139 HydrophobicContact CE2-CG2 3.92Å; F9-V139 HydrophobicContact CG-CG1 4.02Å; V11-V139 HydrophobicContact CB-CG2 4.38Å; V11-V139 HydrophobicContact CG2-CB 4.43Å; V11-V139 HydrophobicContact CG2-CG1 4.04Å; V11-V139 HydrophobicContact CG2-CG2 3.48Å; V11-V139 VanDerWaalsContact CG2-CG2 3.48Å; I39-V139 HydrophobicContact CD1-CG1 4.22Å; I39-V139 HydrophobicContact CG1-CG1 4.17Å; A40-V139 CarbonylContact O-C 3.59Å; A40-V139 WeakPolarHBondContact O-CA 3.49Å; L41-V139 HydrophobicContact CD1-CG2 4.2Å; V139-E158 CarbonylContact O-C 3.58Å; V139-E158 WeakPolarHBondContact O-CA 3.39Å; V139-S159 PolarHBondContact N-O 3.23Å; V139-S159 PolarHBondContact O-N 3.34Å |
| 140 | T | 85.8 | Confident | 87 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 144.5 | 175.6 | 56.8 | 0 | 0 | 0 | 0 | 110 | I39 A40 I138 E158 | I39-T140 WeakPolarHBondContact CA-O 3.48Å; A40-T140 PolarHBondContact N-O 3.06Å; A40-T140 PolarHBondContact O-N 3.37Å; I138-T140 HydrophobicContact CG2-CG2 3.97Å; T140-E158 HydrophobicContact CG2-CB 4.33Å; T140-E158 HydrophobicContact CG2-CG 3.94Å |
| 141 | R | 85.7 | Confident | 86.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.8 | 171.3 | -62.1 | 176.8 | -68.2 | 156.1 | -2.8 | 108.6 | A8 N31 F38 I39 P153 F154 G156 G157 | A8-R141 PolarHBondContact O-NH1 2.93Å; N31-R141 WeakPolarHBondContact O-CD 3.49Å; N31-R141 PolarHBondContact O-NH1 3.26Å; F38-R141 WeakPolarHBondContact O-CA 3.49Å; I39-R141 HydrophobicContact CB-CG 4.33Å; I39-R141 HydrophobicContact CD1-CG 4.32Å; I39-R141 HydrophobicContact CG1-CG 4.04Å; R141-P153 CarbonylContact O-C 3.47Å; R141-P153 VanDerWaalsContact O-CA 3.24Å; R141-P153 WeakPolarHBondContact O-CA 3.22Å; R141-P153 WeakPolarHBondContact O-CB 3.18Å; R141-F154 HydrophobicContact CB-CD1 4.12Å; R141-F154 HydrophobicContact CB-CE1 3.41Å; R141-F154 VanDerWaalsContact CB-CE1 3.41Å; R141-F154 HydrophobicContact CB-CZ 3.99Å; R141-F154 WeakPolarHBondContact O-CD1 3.5Å; R141-F154 PolarHBondContact O-N 3.23Å; R141-G156 PolarHBondContact NH2-O 3.42Å; R141-G157 PolarHBondContact N-O 2.88Å; R141-G157 VanDerWaalsContact N-O 3.07Å; R141-G157 PolarHBondContact NE-O 3.08Å |
| 142 | G | 82.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G37 F38 | G37-G142 CarbonylContact C-O 3.54Å; G37-G142 WeakPolarHBondContact CA-O 3.04Å; F38-G142 PolarHBondContact N-O 2.85Å; F38-G142 PolarHBondContact O-N 3.38Å; F38-G142 VanDerWaalsContact O-N 3.13Å |
| 143 | V | 80.3 | Confident | 85.3 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -94 | -8.7 | -173.4 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | K34 T36 G37 F154 | K34-V143 HydrophobicContact CD-CB 4.19Å; K34-V143 HydrophobicContact CD-CG1 4.48Å; K34-V143 HydrophobicContact CG-CB 4.41Å; K34-V143 HydrophobicContact CG-CG1 4.33Å; T36-V143 CarbonylContact C-O 3.58Å; T36-V143 VanDerWaalsContact C-O 3.29Å; T36-V143 PolarHBondContact OG1-O 3.47Å; G37-V143 PolarHBondContact N-O 3.38Å; V143-F154 HydrophobicContact CG1-CB 4.18Å; V143-F154 HydrophobicContact CG1-CD1 4.15Å; V143-F154 HydrophobicContact CG1-CG 4.47Å |
| 144 | E | 80.6 | Confident | 83.9 | Confident | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | trans | -151.1 | 142.2 | -174.3 | -174.6 | 175.8 | -168.6 | 0 | 0 | 112.1 | T36 F38 G151 | T36-E144 VanDerWaalsContact O-CA 3.28Å; T36-E144 WeakPolarHBondContact O-CA 3.45Å; F38-E144 VanDerWaalsContact CD1-O 3.23Å; F38-E144 WeakPolarHBondContact CD1-O 3.48Å; F38-E144 WeakPolarHBondContact CE1-O 3.44Å; E144-G151 WeakPolarHBondContact O-CA 3.48Å; E144-G151 PolarHBondContact O-N 2.74Å | ||
| 145 | R | 85.4 | Confident | 82.3 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 131.7 | 167.7 | 166.2 | -93.3 | -151.4 | -168 | 13.7 | 110.1 | T36 Y58 F82 | T36-R145 PolarHBondContact O-N 3.03Å; Y58-R145 HydrophobicContact CD1-CG 4.05Å; Y58-R145 HydrophobicContact CD2-CB 4.04Å; Y58-R145 HydrophobicContact CD2-CG 3.84Å; Y58-R145 HydrophobicContact CE1-CG 4.13Å; Y58-R145 HydrophobicContact CE2-CG 3.93Å; Y58-R145 VanDerWaalsContact CE2-NE 3.29Å; Y58-R145 HydrophobicContact CG-CB 4.04Å; Y58-R145 HydrophobicContact CG-CG 3.9Å; Y58-R145 PolarHBondContact OH-NE 2.96Å; Y58-R145 PolarHBondContact OH-NH2 3.48Å; F82-R145 HydrophobicContact CE2-CG 4.38Å; F82-R145 HydrophobicContact CZ-CG 4.22Å |
| 146 | K | 83.8 | Confident | 80.7 | Confident | 92 Ų | 92 | 44.3 Ų | 44.3 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 161.3 | 171 | -71.4 | -179.7 | 175.6 | 179.8 | 0 | 110.3 | D148 G149 | K146-D148 PolarHBondContact O-N 3.38Å; K146-G149 CarbonylContact C-O 3.51Å; K146-G149 WeakPolarHBondContact CA-O 3.48Å; K146-G149 WeakPolarHBondContact CB-O 3.49Å; K146-G149 PolarHBondContact N-O 3.21Å; K146-G149 PolarHBondContact O-N 3Å |
| 147 | K | 83.7 | Confident | 79.2 | Confident | 169 Ų | 169 | 43.2 Ų | 43.2 | 74% | 0.735 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49 | -47.5 | -178.4 | -172.3 | -176.7 | 176 | -173.3 | 0 | 112.5 | ||
| 148 | D | 85.8 | Confident | 78.5 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 21.4 | -173.4 | -53.9 | -55.4 | 0 | 0 | 0 | 112.4 | N81 F82 K146 | N81-D148 CarbonylContact C-O 3.47Å; N81-D148 WeakPolarHBondContact CA-O 3.29Å; F82-D148 VanDerWaalsContact CD2-C 3.4Å; F82-D148 PolarHBondContact N-O 3.46Å; K146-D148 PolarHBondContact O-N 3.38Å |
| 149 | G | 89 | Confident | 77.9 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.8 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | T80 F82 K146 | T80-G149 WeakPolarHBondContact O-CA 3.42Å; F82-G149 VanDerWaalsContact CD2-N 3.33Å; F82-G149 VanDerWaalsContact CE2-N 3.29Å; K146-G149 CarbonylContact C-O 3.51Å; K146-G149 WeakPolarHBondContact CA-O 3.48Å; K146-G149 WeakPolarHBondContact CB-O 3.49Å; K146-G149 PolarHBondContact N-O 3.21Å; K146-G149 PolarHBondContact O-N 3Å |
| 150 | F | 88.7 | Confident | 77.5 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 144.8 | 165.9 | -63.8 | -63 | 0 | 0 | 0 | 110.5 | F38 A40 V54 G56 Y58 T80 F82 | F38-F150 HydrophobicContact CB-CD1 3.71Å; F38-F150 HydrophobicContact CB-CE1 3.96Å; F38-F150 HydrophobicContact CD1-CB 4.38Å; F38-F150 HydrophobicContact CD1-CD1 4.14Å; F38-F150 HydrophobicContact CD2-CB 4.05Å; F38-F150 AromaticContact CD2-CD1 3.55Å; F38-F150 HydrophobicContact CD2-CD1 3.55Å; F38-F150 HydrophobicContact CD2-CE1 4.24Å; F38-F150 AromaticContact CD2-CG 3.91Å; F38-F150 HydrophobicContact CD2-CG 3.91Å; F38-F150 HydrophobicContact CE1-CB 4.11Å; F38-F150 HydrophobicContact CE2-CB 3.8Å; F38-F150 HydrophobicContact CE2-CD1 4.2Å; F38-F150 HydrophobicContact CE2-CG 4.1Å; F38-F150 HydrophobicContact CG-CB 4.35Å; F38-F150 AromaticContact CG-CD1 3.54Å; F38-F150 HydrophobicContact CG-CD1 3.54Å; F38-F150 HydrophobicContact CG-CE1 4.24Å; F38-F150 HydrophobicContact CG-CG 4.24Å; F38-F150 HydrophobicContact CZ-CB 3.83Å; A40-F150 HydrophobicContact CB-CD2 4.02Å; A40-F150 HydrophobicContact CB-CE2 4.05Å; A40-F150 HydrophobicContact CB-CG 4.44Å; A40-F150 HydrophobicContact CB-CZ 4.47Å; V54-F150 HydrophobicContact CG1-CD2 4.03Å; V54-F150 HydrophobicContact CG1-CE2 4.06Å; G56-F150 VanDerWaalsContact C-CZ 3.48Å; Y58-F150 AromaticContact CD1-CE1 3.94Å; Y58-F150 HydrophobicContact CD1-CE1 3.94Å; T80-F150 HydrophobicContact CG2-CD2 3.98Å; F82-F150 HydrophobicContact CD1-CE2 4.44Å; F82-F150 HydrophobicContact CE1-CD1 4.14Å; F82-F150 AromaticContact CE1-CD2 3.82Å; F82-F150 HydrophobicContact CE1-CD2 3.82Å; F82-F150 HydrophobicContact CE1-CE1 4Å; F82-F150 AromaticContact CE1-CE2 3.66Å; F82-F150 HydrophobicContact CE1-CE2 3.66Å; F82-F150 HydrophobicContact CE1-CG 4.04Å; F82-F150 AromaticContact CE1-CZ 3.73Å; F82-F150 HydrophobicContact CE1-CZ 3.73Å; F82-F150 HydrophobicContact CZ-CD1 4.24Å; F82-F150 HydrophobicContact CZ-CE1 4.19Å; F82-F150 HydrophobicContact CZ-CG 4.46Å; F82-F150 HydrophobicContact CZ-CZ 4.34Å |
| 151 | G | 82.8 | Confident | 77.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 12% | 0.124 | 24% | 0.239 | C | C | . | . | trans | -74.6 | -171.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | F38 E144 | F38-G151 VanDerWaalsContact CZ-O 3.23Å; F38-G151 WeakPolarHBondContact CZ-O 3.36Å; E144-G151 WeakPolarHBondContact O-CA 3.48Å; E144-G151 PolarHBondContact O-N 2.74Å | ||
| 152 | R | 74.3 | Confident | 76.6 | Confident | 130 Ų | 130 | 53 Ų | 53 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 141.7 | 174.6 | -74.6 | -179.1 | 173.8 | -121.5 | -0.3 | 110.1 | E253 | R152-E253 IonicContact CZ-OE2 3.74Å; R152-E253 IonicContact NH1-OE2 3.86Å; R152-E253 PolarHBondContact NH1-OE2 3.2Å; R152-E253 IonicContact NH2-OE2 2.67Å; R152-E253 PolarHBondContact NH2-OE2 3.33Å |
| 153 | P | 71.7 | Confident | 76.4 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -64.3 | 152.3 | 172.2 | 29.9 | -34.9 | 0 | 0 | 0 | 110.2 | R141 E158 | R141-P153 CarbonylContact O-C 3.47Å; R141-P153 VanDerWaalsContact O-CA 3.24Å; R141-P153 WeakPolarHBondContact O-CA 3.22Å; R141-P153 WeakPolarHBondContact O-CB 3.18Å; P153-E158 HydrophobicContact CB-CG 3.88Å; P153-E158 VanDerWaalsContact CB-OE1 3.32Å; P153-E158 WeakPolarHBondContact CB-OE1 3.37Å; P153-E158 HydrophobicContact CG-CG 4.2Å; P153-E158 WeakPolarHBondContact CG-OE1 3.42Å |
| 154 | F | 65.3 | Low | 76.6 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 146.9 | 169 | 72.5 | -100.3 | 0 | 0 | 0 | 109.1 | Q33 R141 V143 G156 G157 | Q33-F154 HydrophobicContact CG-CE1 4.15Å; Q33-F154 HydrophobicContact CG-CE2 4.37Å; Q33-F154 HydrophobicContact CG-CZ 3.96Å; R141-F154 HydrophobicContact CB-CD1 4.12Å; R141-F154 HydrophobicContact CB-CE1 3.41Å; R141-F154 VanDerWaalsContact CB-CE1 3.41Å; R141-F154 HydrophobicContact CB-CZ 3.99Å; R141-F154 WeakPolarHBondContact O-CD1 3.5Å; R141-F154 PolarHBondContact O-N 3.23Å; V143-F154 HydrophobicContact CG1-CB 4.18Å; V143-F154 HydrophobicContact CG1-CD1 4.15Å; V143-F154 HydrophobicContact CG1-CG 4.47Å; F154-G156 PolarHBondContact O-N 3.43Å; F154-G157 WeakPolarHBondContact O-CA 3.31Å; F154-G157 PolarHBondContact O-N 2.66Å |
| 155 | A | 55.1 | Low | 76.9 | Confident | 36 Ų | 36 | 59 Ų | 59 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | G157 P324 A325 | A155-G157 PolarHBondContact O-N 2.98Å; A155-P324 WeakPolarHBondContact O-CB 3.39Å; A155-A325 HydrophobicContact CB-CB 3.96Å |
| 156 | G | 58 | Low | 76.9 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 3.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R141 F154 E158 | R141-G156 PolarHBondContact NH2-O 3.42Å; F154-G156 PolarHBondContact O-N 3.43Å; G156-E158 WeakPolarHBondContact CA-OE2 3.43Å; G156-E158 PolarHBondContact N-OE2 2.83Å; G156-E158 PolarHBondContact O-N 2.88Å |
| 157 | G | 59.6 | Low | 77 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -75 | -9.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R141 F154 A155 | R141-G157 PolarHBondContact N-O 2.88Å; R141-G157 VanDerWaalsContact N-O 3.07Å; R141-G157 PolarHBondContact NE-O 3.08Å; F154-G157 WeakPolarHBondContact O-CA 3.31Å; F154-G157 PolarHBondContact O-N 2.66Å; A155-G157 PolarHBondContact O-N 2.98Å | ||
| 158 | E | 73.9 | Confident | 77 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | trans | -105.6 | 149 | -170.5 | -43.7 | 88.2 | 160 | 0 | 0 | 113.9 | V139 T140 P153 G156 | V139-E158 CarbonylContact O-C 3.58Å; V139-E158 WeakPolarHBondContact O-CA 3.39Å; T140-E158 HydrophobicContact CG2-CB 4.33Å; T140-E158 HydrophobicContact CG2-CG 3.94Å; P153-E158 HydrophobicContact CB-CG 3.88Å; P153-E158 VanDerWaalsContact CB-OE1 3.32Å; P153-E158 WeakPolarHBondContact CB-OE1 3.37Å; P153-E158 HydrophobicContact CG-CG 4.2Å; P153-E158 WeakPolarHBondContact CG-OE1 3.42Å; G156-E158 WeakPolarHBondContact CA-OE2 3.43Å; G156-E158 PolarHBondContact N-OE2 2.83Å; G156-E158 PolarHBondContact O-N 2.88Å | ||
| 159 | S | 77.2 | Confident | 76.6 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 140.9 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | I138 V139 | I138-S159 CarbonylContact C-O 3.55Å; I138-S159 VanDerWaalsContact CA-O 3.32Å; I138-S159 WeakPolarHBondContact CA-O 3.45Å; V139-S159 PolarHBondContact N-O 3.23Å; V139-S159 PolarHBondContact O-N 3.34Å |
| 160 | V | 79.5 | Confident | 75.4 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 26% | 0.255 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.1 | -174.1 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | Q47 H136 L137 I138 | Q47-V160 HydrophobicContact CB-CG1 3.94Å; Q47-V160 HydrophobicContact CG-CG1 4Å; H136-V160 HydrophobicContact CB-CG1 4.45Å; L137-V160 CarbonylContact O-C 3.34Å; L137-V160 WeakPolarHBondContact O-CA 3.49Å; I138-V160 HydrophobicContact CB-CG2 4.38Å; I138-V160 HydrophobicContact CD1-CG2 4.32Å; I138-V160 HydrophobicContact CG1-CB 4.49Å; I138-V160 HydrophobicContact CG1-CG1 4.11Å; I138-V160 HydrophobicContact CG1-CG2 3.99Å; I138-V160 HydrophobicContact CG2-CG2 3.91Å |
| 161 | S | 79.4 | Confident | 73.9 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | trans | -67 | 134.6 | 171.3 | 73.9 | 0 | 0 | 0 | 0 | 110.8 | H136 L137 R163 | H136-S161 WeakPolarHBondContact CA-OG 3.31Å; H136-S161 PolarHBondContact ND1-O 3.45Å; L137-S161 PolarHBondContact N-OG 2.94Å; L137-S161 PolarHBondContact O-N 3.2Å; S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 3.09Å; S161-R163 PolarHBondContact OG-O 3.42Å | ||
| 162 | Q | 72.4 | Confident | 72.7 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -67.5 | -31.6 | -177.7 | -66.7 | -62.6 | -66.2 | 0 | 0 | 112.8 | Q47 H136 | Q47-Q162 PolarHBondContact NE2-O 3.17Å; H136-Q162 PolarHBondContact CE1-O 3.11Å |
| 163 | R | 77.4 | Confident | 71.9 | Confident | 206 Ų | 206 | 55.6 Ų | 55.6 | 78% | 0.777 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -121.1 | 151.6 | 178 | -67.5 | -175.7 | -180 | 171.1 | -0.1 | 109.7 | S161 | S161-R163 VanDerWaalsContact C-N 3.29Å; S161-R163 PolarHBondContact O-N 3.09Å; S161-R163 PolarHBondContact OG-O 3.42Å |
| 164 | P | 85.8 | Confident | 71.4 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | trans | -66.5 | 147.1 | 171.6 | 30.6 | -35.3 | 0 | 0 | 0 | 109.7 | A134 Y135 | A134-P164 HydrophobicContact CB-CB 3.9Å; Y135-P164 CarbonylContact O-C 3.5Å; Y135-P164 WeakPolarHBondContact O-CA 3.26Å | ||
| 165 | V | 85.6 | Confident | 70.9 | Confident | 16 Ų | 16 | 56 Ų | 56 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 131.3 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 109 | W13 A134 Y135 L137 I167 Y172 | W13-V165 HydrophobicContact CZ2-CG1 3.82Å; A134-V165 WeakPolarHBondContact CA-O 3.43Å; Y135-V165 PolarHBondContact N-O 3.26Å; Y135-V165 PolarHBondContact O-N 3.29Å; L137-V165 HydrophobicContact CD1-CB 4.46Å; L137-V165 HydrophobicContact CD1-CG2 4.46Å; L137-V165 HydrophobicContact CG-CB 4.5Å; V165-I167 PolarHBondContact O-N 2.91Å; V165-Y172 HydrophobicContact CG1-CD1 4.25Å; V165-Y172 HydrophobicContact CG1-CD2 3.98Å; V165-Y172 HydrophobicContact CG1-CG 3.68Å |
| 166 | V | 85.5 | Confident | 70.7 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 20% | 0.2 | 31% | 0.313 | C | S | . | . | trans | -82.2 | 100.8 | 167.9 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | A134 T168 S169 | A134-V166 HydrophobicContact CB-CG2 3.78Å; V166-T168 VanDerWaalsContact C-N 3.26Å; V166-T168 PolarHBondContact O-N 2.93Å; V166-S169 WeakPolarHBondContact O-CB 3.37Å; V166-S169 PolarHBondContact O-N 3.45Å | ||
| 167 | I | 86.5 | Confident | 70.3 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -32.4 | -170.1 | -65.6 | 166.4 | 0 | 0 | 0 | 112.1 | W13 V24 F26 F43 L129 Y135 L137 V165 S169 | W13-I167 VanDerWaalsContact CD1-O 3.28Å; W13-I167 HydrophobicContact CG-CG2 4.16Å; W13-I167 PolarHBondContact NE1-O 2.89Å; V24-I167 HydrophobicContact CB-CG2 4.38Å; V24-I167 HydrophobicContact CG1-CG2 3.71Å; V24-I167 HydrophobicContact CG2-CG2 3.95Å; F26-I167 HydrophobicContact CE1-CG2 4.19Å; F26-I167 HydrophobicContact CZ-CG2 3.91Å; F43-I167 HydrophobicContact CD1-CD1 3.37Å; F43-I167 HydrophobicContact CE1-CD1 3.43Å; F43-I167 VanDerWaalsContact CE1-CD1 3.43Å; F43-I167 HydrophobicContact CG-CD1 4.31Å; F43-I167 HydrophobicContact CZ-CD1 4.42Å; L129-I167 HydrophobicContact CD1-CD1 4.25Å; L129-I167 HydrophobicContact CD1-CG2 4.42Å; L129-I167 HydrophobicContact CD2-CD1 3.93Å; Y135-I167 HydrophobicContact CD2-CD1 4.47Å; L137-I167 HydrophobicContact CD2-CD1 3.9Å; L137-I167 HydrophobicContact CD2-CG1 4.19Å; V165-I167 PolarHBondContact O-N 2.91Å; I167-S169 PolarHBondContact O-N 2.89Å |
| 168 | T | 84.6 | Confident | 69.7 | Low | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.5 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 113.3 | L15 V24 V117 L129 V166 | L15-T168 HydrophobicContact CD1-CG2 4.02Å; V24-T168 HydrophobicContact CG2-CG2 4.37Å; V117-T168 HydrophobicContact CG1-CG2 3.84Å; V117-T168 HydrophobicContact CG2-CG2 3.92Å; L129-T168 WeakPolarHBondContact O-CG2 3.46Å; V166-T168 VanDerWaalsContact C-N 3.26Å; V166-T168 PolarHBondContact O-N 2.93Å |
| 169 | S | 75.9 | Confident | 68.5 | Low | 27 Ų | 27 | 62.7 Ų | 62.7 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | trans | -74.9 | 132.1 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 110 | V166 I167 I171 Y172 | V166-S169 WeakPolarHBondContact O-CB 3.37Å; V166-S169 PolarHBondContact O-N 3.45Å; I167-S169 PolarHBondContact O-N 2.89Å; S169-I171 PolarHBondContact O-N 3.41Å; S169-I171 VanDerWaalsContact O-N 3.11Å; S169-I171 PolarHBondContact OG-N 3.43Å; S169-Y172 PolarHBondContact O-N 2.96Å | ||
| 170 | P | 63.6 | Low | 67.1 | Low | 133 Ų | 133 | 62.4 Ų | 62.4 | 86% | 0.864 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.9 | 178.1 | 27.4 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 171 | I | 58.6 | Low | 66 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 70% | 0.703 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30.9 | -179.6 | -56.2 | 174.2 | 0 | 0 | 0 | 111.1 | S169 | S169-I171 PolarHBondContact O-N 3.41Å; S169-I171 VanDerWaalsContact O-N 3.11Å; S169-I171 PolarHBondContact OG-N 3.43Å |
| 172 | Y | 56 | Low | 65.2 | Low | 114 Ų | 114 | 68 Ų | 68 | 45% | 0.447 | 36% | 0.357 | S | S | . | . | trans | -110 | 105.6 | -176.7 | -55 | -72.8 | 0 | 0 | 0 | 108.9 | W13 V165 S169 | W13-Y172 PolarHBondContact NE1-O 3.27Å; V165-Y172 HydrophobicContact CG1-CD1 4.25Å; V165-Y172 HydrophobicContact CG1-CD2 3.98Å; V165-Y172 HydrophobicContact CG1-CG 3.68Å; S169-Y172 PolarHBondContact O-N 2.96Å | ||
| 173 | G | 57.8 | Low | 65.2 | Low | 35 Ų | 35 | 63.8 Ų | 63.8 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | trans | -129.6 | 0.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W13 | W13-G173 PolarHBondContact N-O 3.44Å; W13-G173 CarbonylContact O-C 3.54Å; W13-G173 WeakPolarHBondContact O-CA 3.14Å | ||
| 174 | S | 60.8 | Low | 65.4 | Low | 77 Ų | 77 | 57.4 Ų | 57.4 | 54% | 0.538 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 147.1 | 175 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 175 | M | 55.1 | Low | 65.5 | Low | 26 Ų | 26 | 57.4 Ų | 57.4 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114 | 169 | -178.9 | 175.2 | 171.1 | 0 | 0 | 108.2 | V11 W13 L137 | V11-M175 PolarHBondContact N-O 2.99Å; V11-M175 CarbonylContact O-C 3.59Å; V11-M175 PolarHBondContact O-N 3.35Å; W13-M175 HydrophobicContact CH2-CB 3.94Å; W13-M175 HydrophobicContact CZ3-CB 3.65Å; L137-M175 HydrophobicContact CB-SD 3.84Å; L137-M175 HydrophobicContact CD1-SD 4.32Å |
| 176 | T | 51.7 | Low | 65.6 | Low | 61 Ų | 61 | 57 Ų | 57 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.5 | 168.9 | 60.6 | 0 | 0 | 0 | 0 | 108.3 | L10 | L10-T176 HydrophobicContact CD1-CG2 3.65Å |
| 177 | G | 50 | Low | 65.7 | Low | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 103 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | I179 | G177-I179 VanDerWaalsContact C-N 3.3Å |
| 178 | I | 47.2 | Very low | 66.1 | Low | 81 Ų | 81 | 59.5 Ų | 59.5 | 42% | 0.415 | 34% | 0.34 | S | S | . | . | trans | -81.5 | -25.6 | 158.3 | -56.3 | 175.9 | 0 | 0 | 0 | 109.1 | C2 G180 L328 | C2-I178 HydrophobicContact CB-CD1 4Å; C2-I178 HydrophobicContact CB-CG1 3.82Å; I178-G180 PolarHBondContact O-N 3.49Å; I178-L328 WeakPolarHBondContact O-CD2 3.15Å | ||
| 179 | I | 46.9 | Very low | 66.7 | Low | 96 Ų | 96 | 59.3 Ų | 59.3 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | trans | -89.9 | 74.1 | -160.1 | -46.7 | 177.4 | 0 | 0 | 0 | 109.6 | G177 R181 | G177-I179 VanDerWaalsContact C-N 3.3Å; I179-R181 HydrophobicContact CG2-CB 3.75Å; I179-R181 HydrophobicContact CG2-CG 3.4Å; I179-R181 PolarHBondContact O-N 3Å | ||
| 180 | G | 49.2 | Very low | 67.7 | Low | 6 Ų | 6 | 59 Ų | 59 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | trans | -67.1 | 74.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | I178 G182 G327 L328 | I178-G180 PolarHBondContact O-N 3.49Å; G180-G182 PolarHBondContact O-N 3.41Å; G180-G327 WeakPolarHBondContact O-CA 3.41Å; G180-L328 PolarHBondContact O-N 2.6Å | ||
| 181 | R | 56.2 | Low | 69.3 | Low | 162 Ų | 162 | 53.5 Ų | 53.5 | 61% | 0.611 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 120.4 | 177.7 | -118.8 | 168.8 | -163.2 | -158.3 | 7.2 | 106 | I179 S183 | I179-R181 HydrophobicContact CG2-CB 3.75Å; I179-R181 HydrophobicContact CG2-CG 3.4Å; I179-R181 PolarHBondContact O-N 3Å; R181-S183 PolarHBondContact O-N 3.05Å |
| 182 | G | 61.6 | Low | 71.2 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 143 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | G180 A184 A325 | G180-G182 PolarHBondContact O-N 3.41Å; G182-A184 PolarHBondContact O-N 2.9Å; G182-A325 CarbonylContact C-O 3.29Å; G182-A325 WeakPolarHBondContact CA-O 3.34Å |
| 183 | S | 72.4 | Confident | 73.3 | Confident | 27 Ų | 27 | 44 Ų | 44 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 129.6 | 176.9 | 165 | 0 | 0 | 0 | 0 | 109.3 | R181 I185 A186 K187 Y251 A325 | R181-S183 PolarHBondContact O-N 3.05Å; S183-I185 PolarHBondContact O-N 2.94Å; S183-I185 PolarHBondContact OG-N 2.97Å; S183-A186 PolarHBondContact O-N 3.43Å; S183-A186 PolarHBondContact OG-N 3.49Å; S183-K187 WeakPolarHBondContact O-CG 3.4Å; S183-K187 PolarHBondContact O-N 3.27Å; S183-Y251 WeakPolarHBondContact OG-CD2 3.28Å; S183-Y251 WeakPolarHBondContact OG-CE2 3.43Å; S183-A325 PolarHBondContact N-O 3.27Å |
| 184 | A | 82.9 | Confident | 75.2 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 60% | 0.603 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -54.1 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G182 K187 T188 | G182-A184 PolarHBondContact O-N 2.9Å; A184-K187 PolarHBondContact O-N 3.26Å; A184-T188 WeakPolarHBondContact O-CB 3.32Å; A184-T188 PolarHBondContact O-N 3.06Å; A184-T188 PolarHBondContact O-OG1 2.73Å |
| 185 | I | 87.2 | Confident | 77 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.7 | -43.9 | 178.1 | -57.8 | 175.2 | 0 | 0 | 0 | 111 | S183 T188 H189 L247 | S183-I185 PolarHBondContact O-N 2.94Å; S183-I185 PolarHBondContact OG-N 2.97Å; I185-T188 PolarHBondContact O-N 3.28Å; I185-H189 PolarHBondContact O-N 2.83Å; I185-L247 HydrophobicContact CG2-CB 3.96Å; I185-L247 HydrophobicContact CG2-CD2 4.43Å; I185-L247 VanDerWaalsContact CG2-O 3.25Å; I185-L247 WeakPolarHBondContact CG2-O 3.02Å |
| 186 | A | 86.9 | Confident | 79.1 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S183 H189 G190 I248 Y251 A325 | S183-A186 PolarHBondContact O-N 3.43Å; S183-A186 PolarHBondContact OG-N 3.49Å; A186-H189 WeakPolarHBondContact O-CB 3.31Å; A186-H189 PolarHBondContact O-N 2.96Å; A186-G190 PolarHBondContact O-N 3.43Å; A186-I248 HydrophobicContact CB-CD1 4.11Å; A186-Y251 HydrophobicContact CB-CD1 4.36Å; A186-Y251 HydrophobicContact CB-CE1 4.32Å; A186-A325 HydrophobicContact CB-CB 3.87Å |
| 187 | K | 89 | Confident | 81.4 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.1 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 173.2 | -70.3 | 179.7 | 176.3 | -158 | 0 | 111.3 | S183 A184 H189 G190 C191 A326 I426 A427 N429 | S183-K187 WeakPolarHBondContact O-CG 3.4Å; S183-K187 PolarHBondContact O-N 3.27Å; A184-K187 PolarHBondContact O-N 3.26Å; K187-H189 VanDerWaalsContact C-N 3.34Å; K187-H189 PolarHBondContact O-N 2.89Å; K187-G190 PolarHBondContact O-N 3.48Å; K187-G190 VanDerWaalsContact O-N 3.13Å; K187-C191 PolarHBondContact O-N 3.28Å; K187-C191 PolarHBondContact O-SG 3.46Å; K187-A326 VanDerWaalsContact CE-O 3.26Å; K187-A326 WeakPolarHBondContact CE-O 3.44Å; K187-I426 HydrophobicContact CB-CG2 4.04Å; K187-I426 WeakPolarHBondContact CD-O 2.99Å; K187-I426 HydrophobicContact CG-CG2 4.3Å; K187-I426 WeakPolarHBondContact O-CG2 3.44Å; K187-A427 PolarHBondContact NZ-O 3.27Å; K187-N429 WeakPolarHBondContact CE-O 3.41Å; K187-N429 PolarHBondContact NZ-O 2.93Å; K187-N429 PolarHBondContact NZ-OXT 2.97Å |
| 188 | T | 95.4 | Very high | 83.7 | Confident | 65 Ų | 65 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | A184 I185 G190 C191 L192 L247 | A184-T188 WeakPolarHBondContact O-CB 3.32Å; A184-T188 PolarHBondContact O-N 3.06Å; A184-T188 PolarHBondContact O-OG1 2.73Å; I185-T188 PolarHBondContact O-N 3.28Å; T188-G190 VanDerWaalsContact C-N 3.33Å; T188-G190 PolarHBondContact O-N 3.38Å; T188-C191 PolarHBondContact O-N 3.49Å; T188-L192 HydrophobicContact CG2-CD1 3.96Å; T188-L192 HydrophobicContact CG2-CG 4.26Å; T188-L192 WeakPolarHBondContact O-CB 3.38Å; T188-L192 VanDerWaalsContact O-CG 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 3.38Å; T188-L247 HydrophobicContact CG2-CD1 3.84Å |
| 189 | H | 96.1 | Very high | 86.1 | Confident | 16 Ų | 16 | 36.2 Ų | 36.2 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53 | -49.9 | 171.9 | 164 | 90.8 | 0 | 0 | 0 | 111.7 | I185 A186 K187 L192 M193 S244 I248 | I185-H189 PolarHBondContact O-N 2.83Å; A186-H189 WeakPolarHBondContact O-CB 3.31Å; A186-H189 PolarHBondContact O-N 2.96Å; K187-H189 VanDerWaalsContact C-N 3.34Å; K187-H189 PolarHBondContact O-N 2.89Å; H189-L192 PolarHBondContact O-N 2.94Å; H189-M193 WeakPolarHBondContact O-CG 3.43Å; H189-M193 PolarHBondContact O-N 3.44Å; H189-S244 PolarHBondContact ND1-O 3.24Å; H189-S244 PolarHBondContact O-OG 3.31Å; H189-I248 HydrophobicContact CB-CB 4.3Å; H189-I248 HydrophobicContact CB-CD1 4.4Å; H189-I248 WeakPolarHBondContact ND1-CB 3.31Å |
| 190 | G | 96.6 | Very high | 88.6 | Confident | 20 Ų | 20 | 32 Ų | 32 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A186 K187 T188 L192 M193 V194 | A186-G190 PolarHBondContact O-N 3.43Å; K187-G190 PolarHBondContact O-N 3.48Å; K187-G190 VanDerWaalsContact O-N 3.13Å; T188-G190 VanDerWaalsContact C-N 3.33Å; T188-G190 PolarHBondContact O-N 3.38Å; G190-L192 PolarHBondContact O-N 2.91Å; G190-M193 PolarHBondContact O-N 3.25Å; G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 3.43Å |
| 191 | C | 98.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 178.2 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | K187 T188 M193 V194 L195 V423 | K187-C191 PolarHBondContact O-N 3.28Å; K187-C191 PolarHBondContact O-SG 3.46Å; T188-C191 PolarHBondContact O-N 3.49Å; C191-M193 VanDerWaalsContact C-N 3.34Å; C191-M193 PolarHBondContact O-N 3.11Å; C191-V194 PolarHBondContact O-N 3Å; C191-L195 WeakPolarHBondContact O-CG 3.37Å; C191-L195 PolarHBondContact O-N 2.99Å; C191-V423 HydrophobicContact CB-CG1 4.19Å; C191-V423 HydrophobicContact CB-CG2 4.05Å |
| 192 | L | 98.8 | Very high | 93 | Very high | 30 Ų | 30 | 24 Ų | 24 | 16% | 0.157 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -37.4 | 178 | -70 | 173.8 | 0 | 0 | 0 | 111.8 | T188 H189 G190 L195 A196 L240 I243 S244 L247 | T188-L192 HydrophobicContact CG2-CD1 3.96Å; T188-L192 HydrophobicContact CG2-CG 4.26Å; T188-L192 WeakPolarHBondContact O-CB 3.38Å; T188-L192 VanDerWaalsContact O-CG 3.26Å; T188-L192 WeakPolarHBondContact O-CG 3.33Å; T188-L192 PolarHBondContact O-N 3.38Å; H189-L192 PolarHBondContact O-N 2.94Å; G190-L192 PolarHBondContact O-N 2.91Å; L192-L195 PolarHBondContact O-N 3.49Å; L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.49Å; L192-L240 HydrophobicContact CD2-CD2 3.76Å; L192-I243 HydrophobicContact CD1-CG2 3.91Å; L192-S244 WeakPolarHBondContact CB-OG 3.41Å; L192-L247 HydrophobicContact CD1-CD1 3.78Å |
| 193 | M | 98.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 174.1 | -70.9 | -58.3 | -168.4 | 0 | 0 | 112.1 | H189 G190 C191 A196 W197 T241 I245 | H189-M193 WeakPolarHBondContact O-CG 3.43Å; H189-M193 PolarHBondContact O-N 3.44Å; G190-M193 PolarHBondContact O-N 3.25Å; C191-M193 VanDerWaalsContact C-N 3.34Å; C191-M193 PolarHBondContact O-N 3.11Å; M193-A196 PolarHBondContact O-N 2.97Å; M193-W197 WeakPolarHBondContact O-CB 3.2Å; M193-W197 VanDerWaalsContact O-CD1 3.24Å; M193-W197 PolarHBondContact O-N 3.08Å; M193-T241 HydrophobicContact CE-CG2 3.99Å; M193-T241 HydrophobicContact SD-CG2 4.13Å; M193-I245 HydrophobicContact CE-CD1 3.87Å; M193-I245 HydrophobicContact CE-CG1 3.98Å |
| 194 | V | 98.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 173.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | G190 C191 A196 W197 V198 L199 A419 L422 V423 I426 | G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 3.43Å; C191-V194 PolarHBondContact O-N 3Å; V194-A196 VanDerWaalsContact C-N 3.3Å; V194-A196 PolarHBondContact O-N 2.89Å; V194-W197 PolarHBondContact O-N 2.97Å; V194-V198 HydrophobicContact CG1-CB 4.18Å; V194-V198 HydrophobicContact CG1-CG2 4.09Å; V194-V198 WeakPolarHBondContact O-CA 3.44Å; V194-V198 WeakPolarHBondContact O-CB 3.47Å; V194-V198 PolarHBondContact O-N 3.44Å; V194-L199 PolarHBondContact O-N 3.24Å; V194-A419 HydrophobicContact CG1-CB 4.02Å; V194-L422 HydrophobicContact CG1-CB 3.86Å; V194-L422 HydrophobicContact CG1-CD1 4.21Å; V194-L422 HydrophobicContact CG2-CB 4.25Å; V194-V423 HydrophobicContact CB-CG2 4.39Å; V194-V423 HydrophobicContact CG1-CG2 4.2Å; V194-I426 HydrophobicContact CG2-CD1 3.81Å |
| 195 | L | 98.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 21.1 Ų | 21.1 | 28% | 0.283 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -62.2 | -37.6 | 177.6 | -67.8 | 172.5 | 0 | 0 | 0 | 112.4 | C191 L192 L199 C200 L240 A419 V423 | C191-L195 WeakPolarHBondContact O-CG 3.37Å; C191-L195 PolarHBondContact O-N 2.99Å; L192-L195 PolarHBondContact O-N 3.49Å; L195-L199 HydrophobicContact CD2-CD2 4.25Å; L195-L199 WeakPolarHBondContact O-CB 3.43Å; L195-C200 PolarHBondContact O-N 3.38Å; L195-C200 VanDerWaalsContact O-N 3.09Å; L195-C200 PolarHBondContact O-SG 3.4Å; L195-L240 HydrophobicContact CB-CD1 3.96Å; L195-A419 HydrophobicContact CD2-CB 4.4Å; L195-V423 HydrophobicContact CD2-CG2 4.3Å; L195-V423 HydrophobicContact CG-CG2 4.14Å |
| 196 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -66.9 | -52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L192 M193 V194 C200 A201 C237 L240 | L192-A196 WeakPolarHBondContact O-CB 3.43Å; L192-A196 PolarHBondContact O-N 3.49Å; M193-A196 PolarHBondContact O-N 2.97Å; V194-A196 VanDerWaalsContact C-N 3.3Å; V194-A196 PolarHBondContact O-N 2.89Å; A196-C200 WeakPolarHBondContact O-CB 3.5Å; A196-C200 PolarHBondContact O-N 3.26Å; A196-A201 WeakPolarHBondContact O-CB 3.4Å; A196-A201 PolarHBondContact O-N 2.97Å; A196-C237 PolarHBondContact O-SG 3.45Å; A196-L240 HydrophobicContact CB-CB 3.9Å; A196-L240 HydrophobicContact CB-CD1 4.3Å |
| 197 | W | 98.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 18 Ų | 18 | 5% | 0.053 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -95.6 | -40.8 | -166.4 | -65.8 | 98.7 | 0 | 0 | 0 | 113.5 | M193 V194 A201 S202 T241 V273 A277 A309 Y310 S313 M317 | M193-W197 WeakPolarHBondContact O-CB 3.2Å; M193-W197 VanDerWaalsContact O-CD1 3.24Å; M193-W197 PolarHBondContact O-N 3.08Å; V194-W197 PolarHBondContact O-N 2.97Å; W197-A201 HydrophobicContact CE3-CB 4.04Å; W197-S202 PolarHBondContact O-OG 3.45Å; W197-S202 VanDerWaalsContact O-OG 3.08Å; W197-T241 HydrophobicContact CZ2-CG2 4.49Å; W197-T241 PolarHBondContact NE1-OG1 3.42Å; W197-V273 HydrophobicContact CH2-CG1 3.58Å; W197-V273 HydrophobicContact CZ2-CG1 3.21Å; W197-V273 HydrophobicContact CZ3-CG1 4.38Å; W197-A277 HydrophobicContact CH2-CB 3.99Å; W197-A277 HydrophobicContact CZ2-CB 4.01Å; W197-A309 HydrophobicContact CH2-CB 3.95Å; W197-A309 HydrophobicContact CZ3-CB 4.18Å; W197-Y310 HydrophobicContact CE3-CD2 4.26Å; W197-S313 VanDerWaalsContact CD2-CB 3.45Å; W197-S313 VanDerWaalsContact CE3-CB 3.4Å; W197-M317 HydrophobicContact CB-CE 4Å; W197-M317 HydrophobicContact CB-SD 4.14Å |
| 198 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | I | π-helix | trans | -75.1 | -45.2 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | V194 S202 M317 L340 F343 V418 A419 L422 | V194-V198 HydrophobicContact CG1-CB 4.18Å; V194-V198 HydrophobicContact CG1-CG2 4.09Å; V194-V198 WeakPolarHBondContact O-CA 3.44Å; V194-V198 WeakPolarHBondContact O-CB 3.47Å; V194-V198 PolarHBondContact O-N 3.44Å; V198-S202 WeakPolarHBondContact O-CB 3.29Å; V198-S202 PolarHBondContact O-OG 2.98Å; V198-M317 HydrophobicContact CG2-CE 3.97Å; V198-M317 HydrophobicContact CG2-SD 4Å; V198-L340 HydrophobicContact CG2-CD1 4.24Å; V198-F343 HydrophobicContact CB-CE1 4.35Å; V198-F343 HydrophobicContact CB-CZ 4.47Å; V198-F343 HydrophobicContact CG1-CD1 4.17Å; V198-F343 HydrophobicContact CG1-CD2 4.24Å; V198-F343 HydrophobicContact CG1-CE1 3.82Å; V198-F343 HydrophobicContact CG1-CE2 3.89Å; V198-F343 HydrophobicContact CG1-CG 4.36Å; V198-F343 HydrophobicContact CG1-CZ 3.68Å; V198-F343 HydrophobicContact CG2-CE1 4.47Å; V198-F343 WeakPolarHBondContact O-CZ 3.33Å; V198-V418 HydrophobicContact CG1-CB 4.36Å; V198-V418 HydrophobicContact CG1-CG1 3.94Å; V198-A419 HydrophobicContact CG1-CB 4.26Å; V198-L422 HydrophobicContact CG2-CD1 4.48Å |
| 199 | L | 98.7 | Very high | 97.9 | Very high | 42 Ų | 42 | 19.5 Ų | 19.5 | 22% | 0.22 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -88.9 | -66.2 | -176.9 | 177.4 | 64.1 | 0 | 0 | 0 | 112.5 | V194 L195 I203 C415 A416 A419 | V194-L199 PolarHBondContact O-N 3.24Å; L195-L199 HydrophobicContact CD2-CD2 4.25Å; L195-L199 WeakPolarHBondContact O-CB 3.43Å; L199-I203 HydrophobicContact CD1-CD1 3.7Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 3.27Å; L199-C415 HydrophobicContact CD1-CB 4.08Å; L199-A416 HydrophobicContact CD1-CB 4.17Å; L199-A419 HydrophobicContact CB-CB 4.03Å |
| 200 | C | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 5% | 0.054 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -70.5 | -49.5 | -168.2 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | L195 A196 G204 L233 C237 | L195-C200 PolarHBondContact O-N 3.38Å; L195-C200 VanDerWaalsContact O-N 3.09Å; L195-C200 PolarHBondContact O-SG 3.4Å; A196-C200 WeakPolarHBondContact O-CB 3.5Å; A196-C200 PolarHBondContact O-N 3.26Å; C200-G204 PolarHBondContact O-N 3.47Å; C200-L233 WeakPolarHBondContact CB-O 3.21Å; C200-C237 HydrophobicContact CB-CB 3.96Å |
| 201 | A | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -64.4 | -45.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A196 W197 I203 G204 I205 Q234 Y310 | A196-A201 WeakPolarHBondContact O-CB 3.4Å; A196-A201 PolarHBondContact O-N 2.97Å; W197-A201 HydrophobicContact CE3-CB 4.04Å; A201-I203 PolarHBondContact O-N 3.39Å; A201-G204 PolarHBondContact O-N 3.31Å; A201-I205 WeakPolarHBondContact O-CB 3.33Å; A201-I205 VanDerWaalsContact O-CG1 3.29Å; A201-I205 WeakPolarHBondContact O-CG1 3.25Å; A201-I205 PolarHBondContact O-N 2.85Å; A201-Q234 PolarHBondContact O-NE2 3.43Å; A201-Y310 HydrophobicContact CB-CD2 3.89Å; A201-Y310 HydrophobicContact CB-CE2 4.08Å |
| 202 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | -179.5 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | W197 V198 I205 I206 Y310 F343 | W197-S202 PolarHBondContact O-OG 3.45Å; W197-S202 VanDerWaalsContact O-OG 3.08Å; V198-S202 WeakPolarHBondContact O-CB 3.29Å; V198-S202 PolarHBondContact O-OG 2.98Å; S202-I205 PolarHBondContact O-N 3.48Å; S202-I206 WeakPolarHBondContact O-CG1 3.28Å; S202-I206 PolarHBondContact O-N 3.37Å; S202-Y310 WeakPolarHBondContact CB-OH 3.31Å; S202-Y310 WeakPolarHBondContact OG-CE2 3.17Å; S202-Y310 PolarHBondContact OG-OH 3.26Å; S202-F343 WeakPolarHBondContact OG-CZ 3.22Å |
| 203 | I | 98.6 | Very high | 97.5 | Very high | 20 Ų | 20 | 25.2 Ų | 25.2 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 178.2 | -60.5 | 172.3 | 0 | 0 | 0 | 110.1 | L199 A201 I205 I206 L207 L233 I408 A412 C415 | L199-I203 HydrophobicContact CD1-CD1 3.7Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 3.27Å; A201-I203 PolarHBondContact O-N 3.39Å; I203-I205 VanDerWaalsContact C-N 3.31Å; I203-I205 PolarHBondContact O-N 3.32Å; I203-I206 PolarHBondContact O-N 2.89Å; I203-L207 HydrophobicContact CG2-CD1 3.94Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CG 3.39Å; I203-L207 PolarHBondContact O-N 3.03Å; I203-L233 HydrophobicContact CB-CD1 4.03Å; I203-L233 HydrophobicContact CG2-CD1 3.57Å; I203-I408 HydrophobicContact CG2-CD1 4.38Å; I203-A412 HydrophobicContact CD1-CB 3.83Å; I203-A412 HydrophobicContact CG1-CB 4.36Å; I203-C415 HydrophobicContact CD1-CB 4.29Å; I203-C415 HydrophobicContact CG1-CB 4.27Å |
| 204 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.4 | -37.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C200 A201 A208 H230 | C200-G204 PolarHBondContact O-N 3.47Å; A201-G204 PolarHBondContact O-N 3.31Å; G204-A208 PolarHBondContact O-N 3.28Å; G204-H230 PolarHBondContact O-ND1 2.86Å |
| 205 | I | 97.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 26 Ų | 26 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.5 | -47.3 | 177.4 | -71.6 | 167.9 | 0 | 0 | 0 | 110.8 | A201 S202 I203 L207 A208 R209 Y310 | A201-I205 WeakPolarHBondContact O-CB 3.33Å; A201-I205 VanDerWaalsContact O-CG1 3.29Å; A201-I205 WeakPolarHBondContact O-CG1 3.25Å; A201-I205 PolarHBondContact O-N 2.85Å; S202-I205 PolarHBondContact O-N 3.48Å; I203-I205 VanDerWaalsContact C-N 3.31Å; I203-I205 PolarHBondContact O-N 3.32Å; I205-L207 VanDerWaalsContact C-N 3.31Å; I205-L207 PolarHBondContact O-N 2.95Å; I205-A208 PolarHBondContact O-N 2.89Å; I205-R209 PolarHBondContact O-N 3.38Å; I205-Y310 HydrophobicContact CD1-CD1 3.87Å; I205-Y310 HydrophobicContact CD1-CD2 3.58Å; I205-Y310 HydrophobicContact CD1-CE1 4.41Å; I205-Y310 HydrophobicContact CD1-CE2 4.15Å; I205-Y310 HydrophobicContact CD1-CG 3.41Å; I205-Y310 VanDerWaalsContact CD1-CG 3.41Å |
| 206 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -45.1 | 178.1 | -70.6 | -62.6 | 0 | 0 | 0 | 111 | S202 I203 A208 R209 Y210 Y211 I350 E351 L354 I408 | S202-I206 WeakPolarHBondContact O-CG1 3.28Å; S202-I206 PolarHBondContact O-N 3.37Å; I203-I206 PolarHBondContact O-N 2.89Å; I206-A208 PolarHBondContact O-N 2.92Å; I206-R209 PolarHBondContact O-N 3.36Å; I206-Y210 HydrophobicContact CD1-CD2 4Å; I206-Y210 HydrophobicContact CD1-CE2 3.86Å; I206-Y210 HydrophobicContact CG2-CD2 4.36Å; I206-Y210 PolarHBondContact O-N 3.29Å; I206-Y211 HydrophobicContact CG2-CD2 3.97Å; I206-Y211 HydrophobicContact CG2-CE2 3.54Å; I206-Y211 WeakPolarHBondContact O-CD2 3.49Å; I206-I350 HydrophobicContact CD1-CG2 4.17Å; I206-E351 HydrophobicContact CD1-CG 3.54Å; I206-L354 HydrophobicContact CD1-CD1 4.31Å; I206-L354 HydrophobicContact CG2-CD1 3.92Å; I206-I408 HydrophobicContact CG2-CD1 3.95Å |
| 207 | L | 97.3 | Very high | 96.6 | Very high | 10 Ų | 10 | 28.2 Ų | 28.2 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 177.5 | -74.3 | 171.4 | 0 | 0 | 0 | 112.1 | I203 I205 R209 Y211 W215 L233 I408 | I203-L207 HydrophobicContact CG2-CD1 3.94Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CG 3.39Å; I203-L207 PolarHBondContact O-N 3.03Å; I205-L207 VanDerWaalsContact C-N 3.31Å; I205-L207 PolarHBondContact O-N 2.95Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.87Å; L207-Y211 HydrophobicContact CD2-CD2 4.46Å; L207-Y211 HydrophobicContact CD2-CG 4.07Å; L207-Y211 WeakPolarHBondContact O-CB 3.48Å; L207-Y211 PolarHBondContact O-N 3.47Å; L207-Y211 VanDerWaalsContact O-N 3.14Å; L207-W215 HydrophobicContact CD2-CH2 4.23Å; L207-W215 HydrophobicContact CD2-CZ3 4.19Å; L207-L233 HydrophobicContact CD1-CD1 3.7Å; L207-I408 HydrophobicContact CD2-CD1 4.15Å; L207-I408 HydrophobicContact CD2-CG1 4.34Å; L207-I408 HydrophobicContact CG-CD1 4.4Å |
| 208 | A | 95.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -28.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G204 I205 I206 K212 W226 H230 | G204-A208 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 2.89Å; I206-A208 PolarHBondContact O-N 2.92Å; A208-K212 WeakPolarHBondContact O-CE 3.27Å; A208-W226 HydrophobicContact CB-CZ3 4.23Å; A208-H230 HydrophobicContact CB-CB 4.47Å; A208-H230 WeakPolarHBondContact CB-ND1 3.36Å |
| 209 | R | 95.4 | Very high | 96 | Very high | 97 Ų | 97 | 33.3 Ų | 33.3 | 37% | 0.366 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -85.7 | -46.8 | -179.4 | -168.4 | -178.5 | -69.4 | -88.7 | 19.1 | 112.5 | I205 I206 L207 E351 | I205-R209 PolarHBondContact O-N 3.38Å; I206-R209 PolarHBondContact O-N 3.36Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.87Å; R209-E351 IonicContact NE-OE2 2.91Å |
| 210 | Y | 96.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 34.4 Ų | 34.4 | 9% | 0.09 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -114.2 | -11.6 | -165.4 | -57.1 | -70.4 | 0 | 0 | 0 | 115.5 | I206 E351 L354 E355 K404 | I206-Y210 HydrophobicContact CD1-CD2 4Å; I206-Y210 HydrophobicContact CD1-CE2 3.86Å; I206-Y210 HydrophobicContact CG2-CD2 4.36Å; I206-Y210 PolarHBondContact O-N 3.29Å; Y210-E351 HydrophobicContact CE2-CB 4.26Å; Y210-E351 HydrophobicContact CE2-CG 4.03Å; Y210-E351 PolarHBondContact OH-O 3.16Å; Y210-L354 HydrophobicContact CD1-CB 3.69Å; Y210-L354 HydrophobicContact CD2-CB 3.88Å; Y210-L354 HydrophobicContact CD2-CD1 3.51Å; Y210-L354 HydrophobicContact CD2-CG 4.33Å; Y210-L354 HydrophobicContact CE1-CB 3.89Å; Y210-L354 HydrophobicContact CE2-CB 4.05Å; Y210-L354 HydrophobicContact CE2-CD1 4.06Å; Y210-L354 HydrophobicContact CG-CB 3.69Å; Y210-L354 HydrophobicContact CG-CD1 3.87Å; Y210-L354 HydrophobicContact CG-CG 4.32Å; Y210-E355 HydrophobicContact CE1-CB 4.36Å; Y210-E355 WeakPolarHBondContact CE1-OE2 3.27Å; Y210-K404 PolarHBondContact O-NZ 3.03Å |
| 211 | Y | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -111.3 | 10.1 | -169.6 | -70.2 | -102.9 | 0 | 0 | 0 | 114.8 | I206 L207 D213 V214 W215 W226 L354 K404 I408 | I206-Y211 HydrophobicContact CG2-CD2 3.97Å; I206-Y211 HydrophobicContact CG2-CE2 3.54Å; I206-Y211 WeakPolarHBondContact O-CD2 3.49Å; L207-Y211 HydrophobicContact CD2-CD2 4.46Å; L207-Y211 HydrophobicContact CD2-CG 4.07Å; L207-Y211 WeakPolarHBondContact O-CB 3.48Å; L207-Y211 PolarHBondContact O-N 3.47Å; L207-Y211 VanDerWaalsContact O-N 3.14Å; Y211-D213 PolarHBondContact O-N 2.98Å; Y211-D213 VanDerWaalsContact O-N 3.14Å; Y211-V214 HydrophobicContact CD1-CB 4.15Å; Y211-V214 HydrophobicContact CD1-CG1 4.23Å; Y211-V214 HydrophobicContact CD1-CG2 3.71Å; Y211-V214 HydrophobicContact CE1-CG2 4.39Å; Y211-V214 HydrophobicContact CG-CG2 4.22Å; Y211-V214 PolarHBondContact O-N 2.83Å; Y211-W215 HydrophobicContact CD1-CH2 4.13Å; Y211-W215 HydrophobicContact CD1-CZ3 4.22Å; Y211-W226 WeakPolarHBondContact O-CB 3.46Å; Y211-L354 HydrophobicContact CE2-CD1 4.06Å; Y211-L354 HydrophobicContact CE2-CD2 4.38Å; Y211-K404 HydrophobicContact CE1-CB 3.82Å; Y211-K404 VanDerWaalsContact CE1-O 3.28Å; Y211-K404 WeakPolarHBondContact CE1-O 3.37Å; Y211-K404 PolarHBondContact OH-O 3.37Å; Y211-I408 HydrophobicContact CD1-CB 4.49Å; Y211-I408 HydrophobicContact CE1-CB 3.61Å; Y211-I408 HydrophobicContact CE1-CG1 4.31Å; Y211-I408 HydrophobicContact CE1-CG2 3.74Å; Y211-I408 HydrophobicContact CE2-CB 4.38Å; Y211-I408 HydrophobicContact CE2-CD1 4.34Å; Y211-I408 WeakPolarHBondContact OH-CB 3.34Å; Y211-I408 PolarHBondContact OH-N 3.38Å | ||
| 212 | K | 94.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.3 | -177.3 | -61.4 | -168.3 | -172.6 | 175.1 | 0 | 114.9 | A208 W226 | A208-K212 WeakPolarHBondContact O-CE 3.27Å; K212-W226 VanDerWaalsContact CA-CD1 3.43Å; K212-W226 HydrophobicContact CB-CD2 4.21Å; K212-W226 HydrophobicContact CB-CG 4.39Å; K212-W226 HydrophobicContact CB-CZ2 4.4Å; K212-W226 HydrophobicContact CD-CH2 4.03Å; K212-W226 HydrophobicContact CD-CZ2 3.92Å; K212-W226 HydrophobicContact CD-CZ3 4.46Å; K212-W226 HydrophobicContact CG-CD2 3.81Å; K212-W226 HydrophobicContact CG-CE3 4.03Å; K212-W226 HydrophobicContact CG-CG 4.41Å; K212-W226 HydrophobicContact CG-CH2 4.11Å; K212-W226 HydrophobicContact CG-CZ2 3.88Å; K212-W226 HydrophobicContact CG-CZ3 4.18Å; K212-W226 PolarHBondContact O-NE1 2.76Å |
| 213 | D | 92.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 2.2 | -173.9 | -51.9 | -43.1 | 0 | 0 | 0 | 112.9 | Y211 P216 P398 | Y211-D213 PolarHBondContact O-N 2.98Å; Y211-D213 VanDerWaalsContact O-N 3.14Å; D213-P216 WeakPolarHBondContact O-CD 3.42Å; D213-P398 VanDerWaalsContact O-CD 3.23Å; D213-P398 WeakPolarHBondContact O-CD 3.23Å; D213-P398 VanDerWaalsContact O-CG 3.3Å; D213-P398 WeakPolarHBondContact O-CG 3.45Å |
| 214 | V | 95.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.8 | -172.6 | 172.6 | 0 | 0 | 0 | 0 | 112.1 | Y211 P216 R401 K404 Y405 | Y211-V214 HydrophobicContact CD1-CB 4.15Å; Y211-V214 HydrophobicContact CD1-CG1 4.23Å; Y211-V214 HydrophobicContact CD1-CG2 3.71Å; Y211-V214 HydrophobicContact CE1-CG2 4.39Å; Y211-V214 HydrophobicContact CG-CG2 4.22Å; Y211-V214 PolarHBondContact O-N 2.83Å; V214-P216 VanDerWaalsContact C-CD 3.46Å; V214-P216 WeakPolarHBondContact O-CD 3.38Å; V214-R401 HydrophobicContact CG1-CG 4.11Å; V214-R401 PolarHBondContact O-NE 2.93Å; V214-R401 PolarHBondContact O-NH2 3.3Å; V214-K404 HydrophobicContact CG2-CB 4.39Å; V214-K404 HydrophobicContact CG2-CD 3.71Å; V214-Y405 HydrophobicContact CG1-CD1 4.08Å; V214-Y405 HydrophobicContact CG1-CE1 3.38Å |
| 215 | W | 95.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 53.1 Ų | 53.1 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | trans | -124.5 | 70.3 | 177.7 | -60.3 | -81.1 | 0 | 0 | 0 | 110.5 | L207 Y211 N217 V225 W226 Y405 | L207-W215 HydrophobicContact CD2-CH2 4.23Å; L207-W215 HydrophobicContact CD2-CZ3 4.19Å; Y211-W215 HydrophobicContact CD1-CH2 4.13Å; Y211-W215 HydrophobicContact CD1-CZ3 4.22Å; W215-N217 VanDerWaalsContact C-N 3.35Å; W215-N217 PolarHBondContact O-N 3.32Å; W215-V225 HydrophobicContact CB-CB 3.89Å; W215-V225 HydrophobicContact CB-CG2 3.83Å; W215-V225 HydrophobicContact CD2-CB 3.96Å; W215-V225 HydrophobicContact CD2-CG1 3.79Å; W215-V225 HydrophobicContact CE3-CB 3.89Å; W215-V225 HydrophobicContact CE3-CG1 3.74Å; W215-V225 HydrophobicContact CG-CB 4Å; W215-V225 HydrophobicContact CG-CG1 4.21Å; W215-V225 HydrophobicContact CG-CG2 4.1Å; W215-V225 HydrophobicContact CZ3-CG1 4.12Å; W215-W226 HydrophobicContact CE3-CB 4.43Å; W215-W226 HydrophobicContact CZ3-CB 4.43Å; W215-Y405 AromaticContact CE2-CE1 3.65Å; W215-Y405 HydrophobicContact CZ2-CD1 4.29Å; W215-Y405 AromaticContact CZ2-CE1 3.64Å; W215-Y405 HydrophobicContact CZ2-CE1 3.64Å; W215-Y405 AromaticContact NE1-CE1 3.48Å; W215-Y405 AromaticContact NE1-CZ 3.73Å; W215-Y405 PolarHBondContact NE1-OH 2.9Å | ||
| 216 | P | 92.7 | Very high | 94.3 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -33.3 | -172.8 | 27.2 | -33.2 | 0 | 0 | 0 | 112.7 | D213 V214 E395 | D213-P216 WeakPolarHBondContact O-CD 3.42Å; V214-P216 VanDerWaalsContact C-CD 3.46Å; V214-P216 WeakPolarHBondContact O-CD 3.38Å; P216-E395 HydrophobicContact CB-CB 3.82Å; P216-E395 HydrophobicContact CB-CG 3.64Å |
| 217 | N | 93.2 | Very high | 94.2 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 13.2 | -175.2 | -54.7 | -53.4 | 0 | 0 | 0 | 113.6 | W215 E395 | W215-N217 VanDerWaalsContact C-N 3.35Å; W215-N217 PolarHBondContact O-N 3.32Å; N217-E395 PolarHBondContact ND2-O 2.89Å; N217-E395 PolarHBondContact OD1-N 2.79Å |
| 218 | S | 93.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 42% | 0.42 | 31% | 0.307 | S | S | . | . | trans | -119.3 | 142.5 | 177.9 | -47.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 219 | G | 91.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 62% | 0.619 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 154.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E223 | G219-E223 CarbonylContact C-O 3.54Å; G219-E223 WeakPolarHBondContact CA-O 3.31Å |
| 220 | L | 92 | Very high | 94.3 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120.1 | 170.1 | 178.8 | 64.2 | 0 | 0 | 0 | 107.4 | G222 E223 V225 Q228 | L220-G222 PolarHBondContact O-N 3.27Å; L220-E223 PolarHBondContact N-O 3.49Å; L220-E223 PolarHBondContact O-N 2.66Å; L220-V225 HydrophobicContact CB-CG2 4.33Å; L220-Q228 HydrophobicContact CB-CB 4.17Å; L220-Q228 HydrophobicContact CB-CG 4.35Å; L220-Q228 HydrophobicContact CD2-CB 4.12Å; L220-Q228 HydrophobicContact CD2-CG 4.03Å; L220-Q228 HydrophobicContact CG-CB 4.25Å; L220-Q228 HydrophobicContact CG-CG 3.99Å |
| 221 | L | 91.5 | Very high | 94.4 | Very high | 135 Ų | 135 | 57.3 Ų | 57.3 | 71% | 0.707 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 40.4 | -178.4 | -57.2 | 170.7 | 0 | 0 | 0 | 113.2 | E223 Q228 I232 | L221-E223 VanDerWaalsContact C-N 3.31Å; L221-E223 PolarHBondContact O-N 3.28Å; L221-Q228 HydrophobicContact CB-CG 4.23Å; L221-Q228 HydrophobicContact CD1-CG 4.2Å; L221-I232 HydrophobicContact CD1-CD1 4.4Å |
| 222 | G | 89.6 | Confident | 94.4 | Very high | 80 Ų | 80 | 60.6 Ų | 60.6 | 83% | 0.825 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.2 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | L220 | L220-G222 PolarHBondContact O-N 3.27Š|
| 223 | E | 93.2 | Very high | 94.6 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 167.4 | -176.8 | -76.3 | -68.8 | 178.9 | 0 | 0 | 112.5 | G219 L220 L221 V225 F227 Q228 | G219-E223 CarbonylContact C-O 3.54Å; G219-E223 WeakPolarHBondContact CA-O 3.31Å; L220-E223 PolarHBondContact N-O 3.49Å; L220-E223 PolarHBondContact O-N 2.66Å; L221-E223 VanDerWaalsContact C-N 3.31Å; L221-E223 PolarHBondContact O-N 3.28Å; E223-V225 PolarHBondContact O-N 2.63Å; E223-F227 HydrophobicContact CB-CD1 4.41Å; E223-F227 HydrophobicContact CG-CD1 4.49Å; E223-Q228 HydrophobicContact CB-CB 4.19Å |
| 224 | R | 94 | Very high | 94.9 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 37% | 0.37 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 135 | 173.6 | -70.7 | -170.5 | 174 | -145.1 | -12 | 110.3 | W226 F227 Q228 E395 | R224-W226 PolarHBondContact O-N 2.8Å; R224-F227 HydrophobicContact CB-CB 4.3Å; R224-F227 WeakPolarHBondContact O-CB 3.32Å; R224-F227 PolarHBondContact O-N 3.08Å; R224-Q228 PolarHBondContact O-N 3.13Å; R224-E395 IonicContact CZ-OE2 3.73Å; R224-E395 IonicContact NH1-OE2 3.44Å; R224-E395 IonicContact NH2-OE1 3.59Å; R224-E395 IonicContact NH2-OE2 3.49Å; R224-E395 PolarHBondContact NH2-OE2 2.9Å |
| 225 | V | 96.6 | Very high | 95 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -49.7 | -53.5 | -175.3 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | W215 L220 E223 F227 Q228 S229 | W215-V225 HydrophobicContact CB-CB 3.89Å; W215-V225 HydrophobicContact CB-CG2 3.83Å; W215-V225 HydrophobicContact CD2-CB 3.96Å; W215-V225 HydrophobicContact CD2-CG1 3.79Å; W215-V225 HydrophobicContact CE3-CB 3.89Å; W215-V225 HydrophobicContact CE3-CG1 3.74Å; W215-V225 HydrophobicContact CG-CB 4Å; W215-V225 HydrophobicContact CG-CG1 4.21Å; W215-V225 HydrophobicContact CG-CG2 4.1Å; W215-V225 HydrophobicContact CZ3-CG1 4.12Å; L220-V225 HydrophobicContact CB-CG2 4.33Å; E223-V225 PolarHBondContact O-N 2.63Å; V225-F227 PolarHBondContact O-N 2.86Å; V225-Q228 PolarHBondContact O-N 3.45Å; V225-S229 WeakPolarHBondContact O-CB 3.45Å; V225-S229 PolarHBondContact O-N 2.92Å; V225-S229 PolarHBondContact O-OG 3Å; V225-S229 VanDerWaalsContact O-OG 3.05Å |
| 226 | W | 95.7 | Very high | 95.2 | Very high | 31 Ų | 31 | 59.1 Ų | 59.1 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.5 | -37.6 | -179.1 | 76.7 | -93.4 | 0 | 0 | 0 | 112.4 | A208 Y211 K212 W215 R224 H230 | A208-W226 HydrophobicContact CB-CZ3 4.23Å; Y211-W226 WeakPolarHBondContact O-CB 3.46Å; K212-W226 VanDerWaalsContact CA-CD1 3.43Å; K212-W226 HydrophobicContact CB-CD2 4.21Å; K212-W226 HydrophobicContact CB-CG 4.39Å; K212-W226 HydrophobicContact CB-CZ2 4.4Å; K212-W226 HydrophobicContact CD-CH2 4.03Å; K212-W226 HydrophobicContact CD-CZ2 3.92Å; K212-W226 HydrophobicContact CD-CZ3 4.46Å; K212-W226 HydrophobicContact CG-CD2 3.81Å; K212-W226 HydrophobicContact CG-CE3 4.03Å; K212-W226 HydrophobicContact CG-CG 4.41Å; K212-W226 HydrophobicContact CG-CH2 4.11Å; K212-W226 HydrophobicContact CG-CZ2 3.88Å; K212-W226 HydrophobicContact CG-CZ3 4.18Å; K212-W226 PolarHBondContact O-NE1 2.76Å; W215-W226 HydrophobicContact CE3-CB 4.43Å; W215-W226 HydrophobicContact CZ3-CB 4.43Å; R224-W226 PolarHBondContact O-N 2.8Å; W226-H230 VanDerWaalsContact O-CB 3.22Å; W226-H230 WeakPolarHBondContact O-CB 3.38Å; W226-H230 PolarHBondContact O-N 2.96Å |
| 227 | F | 95.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -76 | -44.5 | -173.7 | -179.8 | -123.8 | 0 | 0 | 0 | 110.2 | E223 R224 V225 H230 R231 | E223-F227 HydrophobicContact CB-CD1 4.41Å; E223-F227 HydrophobicContact CG-CD1 4.49Å; R224-F227 HydrophobicContact CB-CB 4.3Å; R224-F227 WeakPolarHBondContact O-CB 3.32Å; R224-F227 PolarHBondContact O-N 3.08Å; V225-F227 PolarHBondContact O-N 2.86Å; F227-H230 PolarHBondContact O-N 2.68Å; F227-R231 HydrophobicContact CD2-CG 4.46Å; F227-R231 HydrophobicContact CE2-CG 3.99Å; F227-R231 VanDerWaalsContact CZ-CD 3.48Å; F227-R231 HydrophobicContact CZ-CG 4.04Å; F227-R231 WeakPolarHBondContact O-CG 3.39Å; F227-R231 PolarHBondContact O-N 3.17Å |
| 228 | Q | 97.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 177.6 | -168.8 | 62.1 | 10.6 | 0 | 0 | 111.8 | L220 L221 E223 R224 V225 H230 R231 I232 | L220-Q228 HydrophobicContact CB-CB 4.17Å; L220-Q228 HydrophobicContact CB-CG 4.35Å; L220-Q228 HydrophobicContact CD2-CB 4.12Å; L220-Q228 HydrophobicContact CD2-CG 4.03Å; L220-Q228 HydrophobicContact CG-CB 4.25Å; L220-Q228 HydrophobicContact CG-CG 3.99Å; L221-Q228 HydrophobicContact CB-CG 4.23Å; L221-Q228 HydrophobicContact CD1-CG 4.2Å; E223-Q228 HydrophobicContact CB-CB 4.19Å; R224-Q228 PolarHBondContact O-N 3.13Å; V225-Q228 PolarHBondContact O-N 3.45Å; Q228-H230 PolarHBondContact O-N 3.3Å; Q228-R231 PolarHBondContact O-N 2.91Å; Q228-I232 HydrophobicContact CG-CD1 4.03Å; Q228-I232 VanDerWaalsContact O-CG1 3.3Å; Q228-I232 WeakPolarHBondContact O-CG1 3.35Å; Q228-I232 PolarHBondContact O-N 2.72Å |
| 229 | S | 97.5 | Very high | 96 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.3 | -61.3 | 0 | 0 | 0 | 0 | 112 | V225 I232 L233 | V225-S229 WeakPolarHBondContact O-CB 3.45Å; V225-S229 PolarHBondContact O-N 2.92Å; V225-S229 PolarHBondContact O-OG 3Å; V225-S229 VanDerWaalsContact O-OG 3.05Å; S229-I232 PolarHBondContact O-N 3.35Å; S229-L233 WeakPolarHBondContact O-CB 3.37Å; S229-L233 WeakPolarHBondContact O-CG 3.32Å; S229-L233 PolarHBondContact O-N 3.42Å |
| 230 | H | 97.2 | Very high | 96.4 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 11% | 0.111 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 173 | 168.5 | 83.1 | 0 | 0 | 0 | 111.7 | G204 A208 W226 F227 Q228 I232 L233 Q234 | G204-H230 PolarHBondContact O-ND1 2.86Å; A208-H230 HydrophobicContact CB-CB 4.47Å; A208-H230 WeakPolarHBondContact CB-ND1 3.36Å; W226-H230 VanDerWaalsContact O-CB 3.22Å; W226-H230 WeakPolarHBondContact O-CB 3.38Å; W226-H230 PolarHBondContact O-N 2.96Å; F227-H230 PolarHBondContact O-N 2.68Å; Q228-H230 PolarHBondContact O-N 3.3Å; H230-I232 PolarHBondContact O-N 3.43Å; H230-L233 PolarHBondContact O-N 3.11Å; H230-Q234 VanDerWaalsContact CE1-CG 3.48Å; H230-Q234 WeakPolarHBondContact CE1-CG 3.35Å; H230-Q234 VanDerWaalsContact O-CB 3.32Å; H230-Q234 WeakPolarHBondContact O-CB 3.27Å; H230-Q234 VanDerWaalsContact O-CG 3.27Å; H230-Q234 WeakPolarHBondContact O-CG 3.46Å; H230-Q234 PolarHBondContact O-N 2.9Å |
| 231 | R | 97 | Very high | 96.7 | Very high | 128 Ų | 128 | 50.1 Ų | 50.1 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 178.6 | -75.2 | 173.9 | 71.5 | -179.5 | 6 | 112.4 | F227 Q228 G235 | F227-R231 HydrophobicContact CD2-CG 4.46Å; F227-R231 HydrophobicContact CE2-CG 3.99Å; F227-R231 VanDerWaalsContact CZ-CD 3.48Å; F227-R231 HydrophobicContact CZ-CG 4.04Å; F227-R231 WeakPolarHBondContact O-CG 3.39Å; F227-R231 PolarHBondContact O-N 3.17Å; Q228-R231 PolarHBondContact O-N 2.91Å; R231-G235 WeakPolarHBondContact O-CA 3.27Å; R231-G235 PolarHBondContact O-N 2.89Å |
| 232 | I | 98 | Very high | 97 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 35% | 0.349 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -52.2 | 179.3 | -69.2 | 165.9 | 0 | 0 | 0 | 110 | L221 Q228 S229 H230 G235 I236 | L221-I232 HydrophobicContact CD1-CD1 4.4Å; Q228-I232 HydrophobicContact CG-CD1 4.03Å; Q228-I232 VanDerWaalsContact O-CG1 3.3Å; Q228-I232 WeakPolarHBondContact O-CG1 3.35Å; Q228-I232 PolarHBondContact O-N 2.72Å; S229-I232 PolarHBondContact O-N 3.35Å; H230-I232 PolarHBondContact O-N 3.43Å; I232-G235 PolarHBondContact O-N 3.44Å; I232-I236 HydrophobicContact CG2-CD1 3.87Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.48Å; I232-I236 PolarHBondContact O-N 3.46Å |
| 233 | L | 98.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | -177.4 | -70.9 | 166.5 | 0 | 0 | 0 | 112.4 | C200 I203 L207 S229 H230 I236 C237 | C200-L233 WeakPolarHBondContact CB-O 3.21Å; I203-L233 HydrophobicContact CB-CD1 4.03Å; I203-L233 HydrophobicContact CG2-CD1 3.57Å; L207-L233 HydrophobicContact CD1-CD1 3.7Å; S229-L233 WeakPolarHBondContact O-CB 3.37Å; S229-L233 WeakPolarHBondContact O-CG 3.32Å; S229-L233 PolarHBondContact O-N 3.42Å; H230-L233 PolarHBondContact O-N 3.11Å; L233-I236 PolarHBondContact O-N 3.42Å; L233-C237 WeakPolarHBondContact O-CB 3.45Å; L233-C237 PolarHBondContact O-N 2.9Å |
| 234 | Q | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 41.6 Ų | 41.6 | 18% | 0.182 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.3 | -34.7 | 176.7 | -65.4 | -63.2 | -17.9 | 0 | 0 | 111.8 | A201 H230 C237 V238 | A201-Q234 PolarHBondContact O-NE2 3.43Å; H230-Q234 VanDerWaalsContact CE1-CG 3.48Å; H230-Q234 WeakPolarHBondContact CE1-CG 3.35Å; H230-Q234 VanDerWaalsContact O-CB 3.32Å; H230-Q234 WeakPolarHBondContact O-CB 3.27Å; H230-Q234 VanDerWaalsContact O-CG 3.27Å; H230-Q234 WeakPolarHBondContact O-CG 3.46Å; H230-Q234 PolarHBondContact O-N 2.9Å; Q234-C237 WeakPolarHBondContact O-CB 3.44Å; Q234-C237 PolarHBondContact O-N 3.5Å; Q234-V238 WeakPolarHBondContact O-CG2 3.41Å; Q234-V238 PolarHBondContact O-N 3.21Å |
| 235 | G | 98.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 45% | 0.454 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -44.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R231 I232 V238 G239 | R231-G235 WeakPolarHBondContact O-CA 3.27Å; R231-G235 PolarHBondContact O-N 2.89Å; I232-G235 PolarHBondContact O-N 3.44Å; G235-V238 PolarHBondContact O-N 3.42Å; G235-G239 PolarHBondContact O-N 3.09Å |
| 236 | I | 98.8 | Very high | 97.9 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 173.6 | -66.9 | 166.6 | 0 | 0 | 0 | 110.3 | I232 L233 V238 G239 L240 | I232-I236 HydrophobicContact CG2-CD1 3.87Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.48Å; I232-I236 PolarHBondContact O-N 3.46Å; L233-I236 PolarHBondContact O-N 3.42Å; I236-V238 PolarHBondContact O-N 2.97Å; I236-G239 PolarHBondContact O-N 3.46Å; I236-L240 HydrophobicContact CG2-CD1 3.7Å; I236-L240 HydrophobicContact CG2-CG 4.02Å; I236-L240 WeakPolarHBondContact O-CB 3.21Å; I236-L240 VanDerWaalsContact O-CG 3.27Å; I236-L240 WeakPolarHBondContact O-CG 3.32Å; I236-L240 PolarHBondContact O-N 2.92Å |
| 237 | C | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55 | -49.8 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 112 | A196 C200 L233 Q234 T241 | A196-C237 PolarHBondContact O-SG 3.45Å; C200-C237 HydrophobicContact CB-CB 3.96Å; L233-C237 WeakPolarHBondContact O-CB 3.45Å; L233-C237 PolarHBondContact O-N 2.9Å; Q234-C237 WeakPolarHBondContact O-CB 3.44Å; Q234-C237 PolarHBondContact O-N 3.5Å; C237-T241 WeakPolarHBondContact O-CB 3.4Å; C237-T241 PolarHBondContact O-N 2.74Å; C237-T241 PolarHBondContact O-OG1 3.32Å |
| 238 | V | 98.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 17% | 0.17 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | Q234 G235 I236 L240 T241 C242 A277 L278 P281 | Q234-V238 WeakPolarHBondContact O-CG2 3.41Å; Q234-V238 PolarHBondContact O-N 3.21Å; G235-V238 PolarHBondContact O-N 3.42Å; I236-V238 PolarHBondContact O-N 2.97Å; V238-L240 PolarHBondContact O-N 3.24Å; V238-T241 PolarHBondContact O-N 3.49Å; V238-C242 PolarHBondContact O-N 2.91Å; V238-C242 PolarHBondContact O-SG 3.44Å; V238-A277 WeakPolarHBondContact CG2-O 3.43Å; V238-L278 HydrophobicContact CG1-CD2 3.95Å; V238-P281 HydrophobicContact CG2-CG 4.43Å |
| 239 | G | 98.7 | Very high | 97.2 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -48.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G235 I236 T241 C242 I243 | G235-G239 PolarHBondContact O-N 3.09Å; I236-G239 PolarHBondContact O-N 3.46Å; G239-T241 VanDerWaalsContact C-N 3.33Å; G239-T241 PolarHBondContact O-N 3.06Å; G239-C242 PolarHBondContact O-N 2.87Å; G239-I243 WeakPolarHBondContact O-CG1 3.35Å; G239-I243 PolarHBondContact O-N 2.85Å |
| 240 | L | 98.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 175.4 | -68 | 175.2 | 0 | 0 | 0 | 111.2 | L192 L195 A196 I236 V238 C242 I243 S244 | L192-L240 HydrophobicContact CD2-CD2 3.76Å; L195-L240 HydrophobicContact CB-CD1 3.96Å; A196-L240 HydrophobicContact CB-CB 3.9Å; A196-L240 HydrophobicContact CB-CD1 4.3Å; I236-L240 HydrophobicContact CG2-CD1 3.7Å; I236-L240 HydrophobicContact CG2-CG 4.02Å; I236-L240 WeakPolarHBondContact O-CB 3.21Å; I236-L240 VanDerWaalsContact O-CG 3.27Å; I236-L240 WeakPolarHBondContact O-CG 3.32Å; I236-L240 PolarHBondContact O-N 2.92Å; V238-L240 PolarHBondContact O-N 3.24Å; L240-C242 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 3.32Å; L240-S244 WeakPolarHBondContact O-CB 3.32Å; L240-S244 PolarHBondContact O-N 2.9Å; L240-S244 PolarHBondContact O-OG 2.95Å |
| 241 | T | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | M193 W197 C237 V238 G239 S244 I245 F274 | M193-T241 HydrophobicContact CE-CG2 3.99Å; M193-T241 HydrophobicContact SD-CG2 4.13Å; W197-T241 HydrophobicContact CZ2-CG2 4.49Å; W197-T241 PolarHBondContact NE1-OG1 3.42Å; C237-T241 WeakPolarHBondContact O-CB 3.4Å; C237-T241 PolarHBondContact O-N 2.74Å; C237-T241 PolarHBondContact O-OG1 3.32Å; V238-T241 PolarHBondContact O-N 3.49Å; G239-T241 VanDerWaalsContact C-N 3.33Å; G239-T241 PolarHBondContact O-N 3.06Å; T241-S244 WeakPolarHBondContact O-CB 3.5Å; T241-S244 PolarHBondContact O-N 3.39Å; T241-I245 VanDerWaalsContact O-CG1 3.32Å; T241-I245 WeakPolarHBondContact O-CG1 2.93Å; T241-I245 PolarHBondContact O-N 2.94Å; T241-F274 HydrophobicContact CG2-CD2 4.06Å |
| 242 | C | 98.8 | Very high | 94.8 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -48.7 | 175.6 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | V238 G239 L240 S244 I245 I246 | V238-C242 PolarHBondContact O-N 2.91Å; V238-C242 PolarHBondContact O-SG 3.44Å; G239-C242 PolarHBondContact O-N 2.87Å; L240-C242 PolarHBondContact O-N 3.29Å; C242-S244 VanDerWaalsContact C-N 3.33Å; C242-S244 PolarHBondContact O-N 3.17Å; C242-I245 PolarHBondContact O-N 3.15Å; C242-I246 WeakPolarHBondContact O-CG1 3.47Å; C242-I246 PolarHBondContact O-N 2.96Å |
| 243 | I | 98.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 46% | 0.456 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 178.2 | -65.8 | 166.4 | 0 | 0 | 0 | 109.9 | L192 G239 L240 I245 I246 L247 | L192-I243 HydrophobicContact CD1-CG2 3.91Å; G239-I243 WeakPolarHBondContact O-CG1 3.35Å; G239-I243 PolarHBondContact O-N 2.85Å; L240-I243 PolarHBondContact O-N 3.32Å; I243-I245 PolarHBondContact O-N 3.26Å; I243-I246 PolarHBondContact O-N 3.36Å; I243-L247 HydrophobicContact CG2-CD1 4.08Å; I243-L247 HydrophobicContact CG2-CG 4.37Å; I243-L247 WeakPolarHBondContact O-CG 3.02Å; I243-L247 PolarHBondContact O-N 2.81Å |
| 244 | S | 98.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | H189 L192 L240 T241 C242 L247 I248 | H189-S244 PolarHBondContact ND1-O 3.24Å; H189-S244 PolarHBondContact O-OG 3.31Å; L192-S244 WeakPolarHBondContact CB-OG 3.41Å; L240-S244 WeakPolarHBondContact O-CB 3.32Å; L240-S244 PolarHBondContact O-N 2.9Å; L240-S244 PolarHBondContact O-OG 2.95Å; T241-S244 WeakPolarHBondContact O-CB 3.5Å; T241-S244 PolarHBondContact O-N 3.39Å; C242-S244 VanDerWaalsContact C-N 3.33Å; C242-S244 PolarHBondContact O-N 3.17Å; S244-L247 PolarHBondContact O-N 2.89Å; S244-I248 PolarHBondContact O-N 3.34Å |
| 245 | I | 97.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 50 Ų | 50 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 179.7 | -70 | -66.2 | 0 | 0 | 0 | 110.6 | M193 T241 C242 I243 L247 I248 F249 F274 | M193-I245 HydrophobicContact CE-CD1 3.87Å; M193-I245 HydrophobicContact CE-CG1 3.98Å; T241-I245 VanDerWaalsContact O-CG1 3.32Å; T241-I245 WeakPolarHBondContact O-CG1 2.93Å; T241-I245 PolarHBondContact O-N 2.94Å; C242-I245 PolarHBondContact O-N 3.15Å; I243-I245 PolarHBondContact O-N 3.26Å; I245-L247 PolarHBondContact O-N 3.19Å; I245-I248 WeakPolarHBondContact O-CG2 3.27Å; I245-I248 PolarHBondContact O-N 2.88Å; I245-F249 HydrophobicContact CG2-CD2 3.93Å; I245-F249 HydrophobicContact CG2-CE2 3.99Å; I245-F249 WeakPolarHBondContact O-CB 3.4Å; I245-F249 VanDerWaalsContact O-CD2 3.27Å; I245-F249 WeakPolarHBondContact O-CD2 3.42Å; I245-F249 PolarHBondContact O-N 3.38Å; I245-F274 HydrophobicContact CB-CD2 4.45Å; I245-F274 HydrophobicContact CB-CE2 4.44Å; I245-F274 HydrophobicContact CD1-CB 4.35Å; I245-F274 HydrophobicContact CG1-CB 4.22Å; I245-F274 HydrophobicContact CG1-CD2 3.83Å; I245-F274 HydrophobicContact CG1-CE2 4.3Å; I245-F274 HydrophobicContact CG1-CG 3.98Å; I245-F274 HydrophobicContact CG2-CE1 4.42Å; I245-F274 HydrophobicContact CG2-CZ 4.39Å |
| 246 | I | 97.2 | Very high | 91.3 | Very high | 103 Ų | 103 | 49 Ų | 49 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175 | -66.9 | 165 | 0 | 0 | 0 | 110.5 | C242 I243 I248 F249 I250 | C242-I246 WeakPolarHBondContact O-CG1 3.47Å; C242-I246 PolarHBondContact O-N 2.96Å; I243-I246 PolarHBondContact O-N 3.36Å; I246-I248 PolarHBondContact O-N 2.91Å; I246-F249 PolarHBondContact O-N 2.97Å; I246-I250 HydrophobicContact CG2-CD1 3.81Å; I246-I250 HydrophobicContact CG2-CG1 4.46Å; I246-I250 VanDerWaalsContact O-CG1 3.32Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.93Å |
| 247 | L | 93.5 | Very high | 89.8 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | -179.9 | -72 | 176.8 | 0 | 0 | 0 | 112.6 | I185 T188 L192 I243 S244 I245 I250 Y251 | I185-L247 HydrophobicContact CG2-CB 3.96Å; I185-L247 HydrophobicContact CG2-CD2 4.43Å; I185-L247 VanDerWaalsContact CG2-O 3.25Å; I185-L247 WeakPolarHBondContact CG2-O 3.02Å; T188-L247 HydrophobicContact CG2-CD1 3.84Å; L192-L247 HydrophobicContact CD1-CD1 3.78Å; I243-L247 HydrophobicContact CG2-CD1 4.08Å; I243-L247 HydrophobicContact CG2-CG 4.37Å; I243-L247 WeakPolarHBondContact O-CG 3.02Å; I243-L247 PolarHBondContact O-N 2.81Å; S244-L247 PolarHBondContact O-N 2.89Å; I245-L247 PolarHBondContact O-N 3.19Å; L247-I250 PolarHBondContact O-N 2.91Å; L247-Y251 PolarHBondContact O-N 3.33Å |
| 248 | I | 91.3 | Very high | 88.3 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 15% | 0.154 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.7 | -31.4 | -178 | -161.3 | 66.8 | 0 | 0 | 0 | 112.5 | A186 H189 S244 I245 I246 Y251 C252 | A186-I248 HydrophobicContact CB-CD1 4.11Å; H189-I248 HydrophobicContact CB-CB 4.3Å; H189-I248 HydrophobicContact CB-CD1 4.4Å; H189-I248 WeakPolarHBondContact ND1-CB 3.31Å; S244-I248 PolarHBondContact O-N 3.34Å; I245-I248 WeakPolarHBondContact O-CG2 3.27Å; I245-I248 PolarHBondContact O-N 2.88Å; I246-I248 PolarHBondContact O-N 2.91Å; I248-Y251 HydrophobicContact CD1-CD1 3.8Å; I248-Y251 HydrophobicContact CD1-CG 4.48Å; I248-Y251 PolarHBondContact O-N 3.48Å; I248-C252 WeakPolarHBondContact O-CB 3.31Å; I248-C252 PolarHBondContact O-N 3Å; I248-C252 PolarHBondContact O-SG 3.43Å |
| 249 | F | 88.7 | Confident | 86.3 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 32% | 0.32 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.6 | -36.3 | 171.8 | -90.2 | -109.3 | 0 | 0 | 0 | 111.9 | I245 I246 C252 E253 G254 Y255 L271 | I245-F249 HydrophobicContact CG2-CD2 3.93Å; I245-F249 HydrophobicContact CG2-CE2 3.99Å; I245-F249 WeakPolarHBondContact O-CB 3.4Å; I245-F249 VanDerWaalsContact O-CD2 3.27Å; I245-F249 WeakPolarHBondContact O-CD2 3.42Å; I245-F249 PolarHBondContact O-N 3.38Å; I246-F249 PolarHBondContact O-N 2.97Å; F249-C252 PolarHBondContact O-N 3.37Å; F249-E253 CarbonylContact O-C 3.48Å; F249-E253 WeakPolarHBondContact O-CA 3.39Å; F249-E253 PolarHBondContact O-N 3.47Å; F249-G254 WeakPolarHBondContact CD1-O 3.19Å; F249-G254 PolarHBondContact O-N 3.29Å; F249-Y255 HydrophobicContact CZ-CD2 4.31Å; F249-L271 HydrophobicContact CE2-CD2 4.1Å; F249-L271 HydrophobicContact CZ-CD2 4.07Å |
| 250 | I | 84.4 | Confident | 84.3 | Confident | 106 Ų | 106 | 56.6 Ų | 56.6 | 54% | 0.544 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 170.9 | -69.6 | 166.9 | 0 | 0 | 0 | 109.9 | I246 L247 C252 E253 | I246-I250 HydrophobicContact CG2-CD1 3.81Å; I246-I250 HydrophobicContact CG2-CG1 4.46Å; I246-I250 VanDerWaalsContact O-CG1 3.32Å; I246-I250 WeakPolarHBondContact O-CG1 3.36Å; I246-I250 PolarHBondContact O-N 2.93Å; L247-I250 PolarHBondContact O-N 2.91Å; I250-C252 VanDerWaalsContact C-N 3.33Å; I250-C252 PolarHBondContact O-N 2.94Å; I250-E253 PolarHBondContact O-N 3.08Å |
| 251 | Y | 80.7 | Confident | 82.6 | Confident | 62 Ų | 62 | 63.3 Ų | 63.3 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 178 | 171.4 | -106.9 | 0 | 0 | 0 | 112.8 | S183 A186 L247 I248 E253 A325 | S183-Y251 WeakPolarHBondContact OG-CD2 3.28Å; S183-Y251 WeakPolarHBondContact OG-CE2 3.43Å; A186-Y251 HydrophobicContact CB-CD1 4.36Å; A186-Y251 HydrophobicContact CB-CE1 4.32Å; L247-Y251 PolarHBondContact O-N 3.33Å; I248-Y251 HydrophobicContact CD1-CD1 3.8Å; I248-Y251 HydrophobicContact CD1-CG 4.48Å; I248-Y251 PolarHBondContact O-N 3.48Å; Y251-E253 VanDerWaalsContact C-N 3.31Å; Y251-A325 HydrophobicContact CE1-CB 3.72Å |
| 252 | C | 74.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 65.2 Ų | 65.2 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.8 | -5.3 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | I248 F249 I250 G254 | I248-C252 WeakPolarHBondContact O-CB 3.31Å; I248-C252 PolarHBondContact O-N 3Å; I248-C252 PolarHBondContact O-SG 3.43Å; F249-C252 PolarHBondContact O-N 3.37Å; I250-C252 VanDerWaalsContact C-N 3.33Å; I250-C252 PolarHBondContact O-N 2.94Å; C252-G254 VanDerWaalsContact CB-O 3.32Å; C252-G254 WeakPolarHBondContact CB-O 3.35Å; C252-G254 PolarHBondContact O-N 3.29Å |
| 253 | E | 77 | Confident | 80.5 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 35.6 | -167.3 | -55.6 | -170.3 | 147.9 | 0 | 0 | 113.7 | K78 R152 F249 I250 Y251 | K78-E253 VanDerWaalsContact CE-OE1 3.31Å; K78-E253 WeakPolarHBondContact CE-OE1 3.46Å; K78-E253 IonicContact NZ-OE1 2.79Å; K78-E253 PolarHBondContact NZ-OE1 3.02Å; K78-E253 IonicContact NZ-OE2 2.85Å; R152-E253 IonicContact CZ-OE2 3.74Å; R152-E253 IonicContact NH1-OE2 3.86Å; R152-E253 PolarHBondContact NH1-OE2 3.2Å; R152-E253 IonicContact NH2-OE2 2.67Å; R152-E253 PolarHBondContact NH2-OE2 3.33Å; F249-E253 CarbonylContact O-C 3.48Å; F249-E253 WeakPolarHBondContact O-CA 3.39Å; F249-E253 PolarHBondContact O-N 3.47Å; I250-E253 PolarHBondContact O-N 3.08Å; Y251-E253 VanDerWaalsContact C-N 3.31Å |
| 254 | G | 81.3 | Confident | 79.6 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 134.7 | -151.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F249 C252 | F249-G254 WeakPolarHBondContact CD1-O 3.19Å; F249-G254 PolarHBondContact O-N 3.29Å; C252-G254 VanDerWaalsContact CB-O 3.32Å; C252-G254 WeakPolarHBondContact CB-O 3.35Å; C252-G254 PolarHBondContact O-N 3.29Å |
| 255 | Y | 83.8 | Confident | 79.2 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 37% | 0.373 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -71.9 | 139.5 | 175.1 | -174.9 | -99.4 | 0 | 0 | 0 | 110.9 | F249 Q257 P267 I268 L271 | F249-Y255 HydrophobicContact CZ-CD2 4.31Å; Y255-Q257 PolarHBondContact O-N 3.24Å; Y255-Q257 PolarHBondContact O-NE2 3.03Å; Y255-P267 HydrophobicContact CE2-CB 3.91Å; Y255-I268 WeakPolarHBondContact OH-CG1 3.5Å; Y255-L271 HydrophobicContact CD2-CD1 3.93Å; Y255-L271 HydrophobicContact CE2-CD1 3.59Å |
| 256 | S | 79.2 | Confident | 79 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | trans | -54.9 | 130.8 | 179.6 | 178 | 0 | 0 | 0 | 0 | 112 | A258 | S256-A258 VanDerWaalsContact C-N 3.31Å; S256-A258 WeakPolarHBondContact OG-CB 3.41Å; S256-A258 PolarHBondContact OG-N 3.34Å | ||
| 257 | Q | 67.4 | Low | 78.8 | Confident | 154 Ų | 154 | 64.5 Ų | 64.5 | 72% | 0.72 | 32% | 0.324 | S | S | * | . | trans | -94.6 | 17.2 | 175.8 | -57 | -59.2 | -54.6 | 0 | 0 | 112.3 | Y255 T259 | Y255-Q257 PolarHBondContact O-N 3.24Å; Y255-Q257 PolarHBondContact O-NE2 3.03Å; Q257-T259 PolarHBondContact O-N 3.49Å | ||
| 258 | A | 65.9 | Low | 79 | Confident | 32 Ų | 32 | 66 Ų | 66 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | trans | -60.8 | 120.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | S256 Y264 | S256-A258 VanDerWaalsContact C-N 3.31Å; S256-A258 WeakPolarHBondContact OG-CB 3.41Å; S256-A258 PolarHBondContact OG-N 3.34Å; A258-Y264 WeakPolarHBondContact O-CB 3.29Å | ||
| 259 | T | 56.1 | Low | 79.3 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | -113.7 | -16.4 | -179 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | K34 Q257 | K34-T259 WeakPolarHBondContact CE-OG1 3.32Å; K34-T259 PolarHBondContact NZ-OG1 3.14Å; Q257-T259 PolarHBondContact O-N 3.49Å | ||
| 260 | A | 58 | Low | 79.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -76.8 | 137 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y263 Y264 | A260-Y263 HydrophobicContact CB-CD2 3.99Å; A260-Y263 WeakPolarHBondContact O-CA 3.42Å; A260-Y263 WeakPolarHBondContact O-CB 3.27Å; A260-Y263 PolarHBondContact O-N 3.02Å; A260-Y264 PolarHBondContact O-N 3.38Å; A260-Y264 VanDerWaalsContact O-N 3.16Å |
| 261 | Y | 63.5 | Low | 80.4 | Confident | 175 Ų | 175 | 60.9 Ų | 60.9 | 69% | 0.686 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 140.6 | 169.9 | 179.2 | -89.2 | 0 | 0 | 0 | 110.1 | Y264 I265 | Y261-Y264 AromaticContact CD2-CE1 3.96Å; Y261-Y264 HydrophobicContact CD2-CE1 3.96Å; Y261-Y264 HydrophobicContact CG-CE1 4.47Å; Y261-I265 HydrophobicContact CD2-CD1 3.82Å; Y261-I265 HydrophobicContact CE2-CD1 3.48Å; Y261-I265 VanDerWaalsContact CE2-CD1 3.48Å |
| 262 | P | 75.4 | Confident | 81.3 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.3 | 5.3 | -3.2 | 36.1 | -35.1 | 0 | 0 | 0 | 113.8 | Y264 I265 L319 | P262-Y264 VanDerWaalsContact C-N 3.31Å; P262-Y264 PolarHBondContact O-N 2.89Å; P262-I265 HydrophobicContact CB-CD1 4.38Å; P262-I265 WeakPolarHBondContact O-CB 3.44Å; P262-I265 PolarHBondContact O-N 3.25Å; P262-L319 HydrophobicContact CB-CD2 4.02Å; P262-L319 HydrophobicContact CG-CD2 4.19Å |
| 263 | Y | 77.3 | Confident | 82.4 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 18% | 0.184 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.2 | -170.7 | -53.2 | -51.4 | 0 | 0 | 0 | 114.3 | A260 I265 H266 P267 R322 M323 P324 Q331 | A260-Y263 HydrophobicContact CB-CD2 3.99Å; A260-Y263 WeakPolarHBondContact O-CA 3.42Å; A260-Y263 WeakPolarHBondContact O-CB 3.27Å; A260-Y263 PolarHBondContact O-N 3.02Å; Y263-I265 PolarHBondContact O-N 3.41Å; Y263-H266 PolarHBondContact O-N 3.36Å; Y263-P267 VanDerWaalsContact O-CD 3.27Å; Y263-P267 WeakPolarHBondContact O-CD 3.38Å; Y263-R322 VanDerWaalsContact CE1-O 3.3Å; Y263-R322 WeakPolarHBondContact CE1-O 3.4Å; Y263-M323 HydrophobicContact CD1-SD 3.98Å; Y263-M323 HydrophobicContact CG-SD 4.32Å; Y263-P324 HydrophobicContact CE2-CG 4.45Å; Y263-Q331 PolarHBondContact OH-NE2 2.96Å |
| 264 | Y | 80 | Confident | 83.5 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 37% | 0.373 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.1 | 178.1 | 79.9 | -99.8 | 0 | 0 | 0 | 113.5 | A258 A260 Y261 P262 P267 I268 | A258-Y264 WeakPolarHBondContact O-CB 3.29Å; A260-Y264 PolarHBondContact O-N 3.38Å; A260-Y264 VanDerWaalsContact O-N 3.16Å; Y261-Y264 AromaticContact CD2-CE1 3.96Å; Y261-Y264 HydrophobicContact CD2-CE1 3.96Å; Y261-Y264 HydrophobicContact CG-CE1 4.47Å; P262-Y264 VanDerWaalsContact C-N 3.31Å; P262-Y264 PolarHBondContact O-N 2.89Å; Y264-P267 VanDerWaalsContact O-CD 3.31Å; Y264-P267 WeakPolarHBondContact O-CD 3.26Å; Y264-P267 VanDerWaalsContact O-CG 3.31Å; Y264-P267 WeakPolarHBondContact O-CG 3.49Å; Y264-I268 HydrophobicContact CD2-CD1 3.94Å; Y264-I268 HydrophobicContact CE2-CD1 4.26Å |
| 265 | I | 89.7 | Confident | 84.3 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -74.9 | -34.5 | -179.6 | -61.5 | 174 | 0 | 0 | 0 | 111 | Y261 P262 Y263 I268 L269 L319 | Y261-I265 HydrophobicContact CD2-CD1 3.82Å; Y261-I265 HydrophobicContact CE2-CD1 3.48Å; Y261-I265 VanDerWaalsContact CE2-CD1 3.48Å; P262-I265 HydrophobicContact CB-CD1 4.38Å; P262-I265 WeakPolarHBondContact O-CB 3.44Å; P262-I265 PolarHBondContact O-N 3.25Å; Y263-I265 PolarHBondContact O-N 3.41Å; I265-I268 PolarHBondContact O-N 3.27Å; I265-L269 HydrophobicContact CG2-CD1 3.78Å; I265-L269 HydrophobicContact CG2-CG 3.89Å; I265-L269 PolarHBondContact O-N 3.39Å; I265-L319 HydrophobicContact CB-CD1 4.04Å; I265-L319 HydrophobicContact CG2-CD1 3.74Å |
| 266 | H | 94.2 | Very high | 85 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 13% | 0.13 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.3 | -53.9 | -179.8 | 174.3 | 72 | 0 | 0 | 0 | 113.7 | Y263 I268 L269 G270 T316 L319 G320 M323 | Y263-H266 PolarHBondContact O-N 3.36Å; H266-I268 VanDerWaalsContact C-N 3.28Å; H266-I268 PolarHBondContact O-N 3.01Å; H266-L269 PolarHBondContact O-N 3.03Å; H266-G270 PolarHBondContact O-N 3.45Å; H266-T316 PolarHBondContact CE1-O 3.42Å; H266-T316 PolarHBondContact ND1-O 2.87Å; H266-L319 HydrophobicContact CB-CB 3.92Å; H266-L319 HydrophobicContact CB-CD1 4.48Å; H266-G320 PolarHBondContact ND1-N 3.47Å; H266-M323 HydrophobicContact CB-SD 4.14Å |
| 267 | P | 93.8 | Very high | 85.9 | Confident | 17 Ų | 17 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -29.4 | 179.8 | 26.6 | -36.6 | 0 | 0 | 0 | 113.1 | Y255 Y263 Y264 L271 | Y255-P267 HydrophobicContact CE2-CB 3.91Å; Y263-P267 VanDerWaalsContact O-CD 3.27Å; Y263-P267 WeakPolarHBondContact O-CD 3.38Å; Y264-P267 VanDerWaalsContact O-CD 3.31Å; Y264-P267 WeakPolarHBondContact O-CD 3.26Å; Y264-P267 VanDerWaalsContact O-CG 3.31Å; Y264-P267 WeakPolarHBondContact O-CG 3.49Å; P267-L271 WeakPolarHBondContact O-CG 3.39Å; P267-L271 PolarHBondContact O-N 3.22Å; P267-L271 VanDerWaalsContact O-N 3.08Å |
| 268 | I | 96.4 | Very high | 87.4 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 40% | 0.395 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.8 | -54.2 | 174.7 | -60.4 | 172.3 | 0 | 0 | 0 | 109.8 | Y255 Y264 I265 H266 G270 L271 I272 | Y255-I268 WeakPolarHBondContact OH-CG1 3.5Å; Y264-I268 HydrophobicContact CD2-CD1 3.94Å; Y264-I268 HydrophobicContact CE2-CD1 4.26Å; I265-I268 PolarHBondContact O-N 3.27Å; H266-I268 VanDerWaalsContact C-N 3.28Å; H266-I268 PolarHBondContact O-N 3.01Å; I268-G270 VanDerWaalsContact C-N 3.32Å; I268-G270 PolarHBondContact O-N 2.9Å; I268-L271 PolarHBondContact O-N 3.34Å; I268-I272 HydrophobicContact CG2-CD1 4.16Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.48Å; I268-I272 VanDerWaalsContact O-N 3.11Å |
| 269 | L | 98.1 | Very high | 88.9 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.5 | -66.8 | -178.2 | 0 | 0 | 0 | 111.8 | I265 H266 L271 I272 V273 T316 L319 | I265-L269 HydrophobicContact CG2-CD1 3.78Å; I265-L269 HydrophobicContact CG2-CG 3.89Å; I265-L269 PolarHBondContact O-N 3.39Å; H266-L269 PolarHBondContact O-N 3.03Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.28Å; L269-I272 HydrophobicContact CD2-CD1 4.41Å; L269-I272 PolarHBondContact O-N 3.13Å; L269-I272 VanDerWaalsContact O-N 3.17Å; L269-V273 WeakPolarHBondContact O-CB 3.34Å; L269-V273 WeakPolarHBondContact O-CG2 2.98Å; L269-V273 PolarHBondContact O-N 2.94Å; L269-T316 HydrophobicContact CB-CG2 4.35Å; L269-T316 VanDerWaalsContact CB-OG1 3.27Å; L269-T316 WeakPolarHBondContact CB-OG1 3.32Å; L269-L319 HydrophobicContact CD1-CD1 3.98Å |
| 270 | G | 98.4 | Very high | 90.8 | Very high | 12 Ų | 12 | 48.6 Ų | 48.6 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H266 I268 F274 | H266-G270 PolarHBondContact O-N 3.45Å; I268-G270 VanDerWaalsContact C-N 3.32Å; I268-G270 PolarHBondContact O-N 2.9Å; G270-F274 VanDerWaalsContact O-CB 3.25Å; G270-F274 WeakPolarHBondContact O-CB 3.39Å; G270-F274 PolarHBondContact O-N 3.03Å |
| 271 | L | 98.4 | Very high | 92.6 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 29% | 0.293 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.2 | -34 | 175.4 | -74.1 | -177 | 0 | 0 | 0 | 113.3 | F249 Y255 P267 I268 L269 F274 S275 | F249-L271 HydrophobicContact CE2-CD2 4.1Å; F249-L271 HydrophobicContact CZ-CD2 4.07Å; Y255-L271 HydrophobicContact CD2-CD1 3.93Å; Y255-L271 HydrophobicContact CE2-CD1 3.59Å; P267-L271 WeakPolarHBondContact O-CG 3.39Å; P267-L271 PolarHBondContact O-N 3.22Å; P267-L271 VanDerWaalsContact O-N 3.08Å; I268-L271 PolarHBondContact O-N 3.34Å; L269-L271 VanDerWaalsContact C-N 3.34Å; L269-L271 PolarHBondContact O-N 3.28Å; L271-F274 HydrophobicContact CD2-CD1 4.36Å; L271-S275 WeakPolarHBondContact O-CB 3.43Å; L271-S275 PolarHBondContact O-N 3.45Å; L271-S275 PolarHBondContact O-OG 3.36Å |
| 272 | I | 98.7 | Very high | 94.1 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 35% | 0.354 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 173.4 | -66.7 | 167.5 | 0 | 0 | 0 | 109.8 | I268 L269 F274 S275 L276 L312 | I268-I272 HydrophobicContact CG2-CD1 4.16Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.48Å; I268-I272 VanDerWaalsContact O-N 3.11Å; L269-I272 HydrophobicContact CD2-CD1 4.41Å; L269-I272 PolarHBondContact O-N 3.13Å; L269-I272 VanDerWaalsContact O-N 3.17Å; I272-F274 VanDerWaalsContact C-N 3.34Å; I272-F274 PolarHBondContact O-N 3.18Å; I272-S275 PolarHBondContact O-N 3.48Å; I272-L276 HydrophobicContact CG2-CD1 3.91Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.48Å; I272-L312 HydrophobicContact CG2-CD1 3.69Å |
| 273 | V | 98.8 | Very high | 95 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.03 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | W197 L269 S275 L276 A277 L312 | W197-V273 HydrophobicContact CH2-CG1 3.58Å; W197-V273 HydrophobicContact CZ2-CG1 3.21Å; W197-V273 HydrophobicContact CZ3-CG1 4.38Å; L269-V273 WeakPolarHBondContact O-CB 3.34Å; L269-V273 WeakPolarHBondContact O-CG2 2.98Å; L269-V273 PolarHBondContact O-N 2.94Å; V273-S275 PolarHBondContact O-N 3.41Å; V273-L276 PolarHBondContact O-N 3.15Å; V273-A277 VanDerWaalsContact O-CB 3.28Å; V273-A277 WeakPolarHBondContact O-CB 3.3Å; V273-A277 PolarHBondContact O-N 2.91Å; V273-L312 HydrophobicContact CG2-CB 3.56Å |
| 274 | F | 98.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 45.5 Ų | 45.5 | 19% | 0.189 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 176 | 171 | -116.4 | 0 | 0 | 0 | 112.5 | T241 I245 G270 L271 I272 A277 L278 | T241-F274 HydrophobicContact CG2-CD2 4.06Å; I245-F274 HydrophobicContact CB-CD2 4.45Å; I245-F274 HydrophobicContact CB-CE2 4.44Å; I245-F274 HydrophobicContact CD1-CB 4.35Å; I245-F274 HydrophobicContact CG1-CB 4.22Å; I245-F274 HydrophobicContact CG1-CD2 3.83Å; I245-F274 HydrophobicContact CG1-CE2 4.3Å; I245-F274 HydrophobicContact CG1-CG 3.98Å; I245-F274 HydrophobicContact CG2-CE1 4.42Å; I245-F274 HydrophobicContact CG2-CZ 4.39Å; G270-F274 VanDerWaalsContact O-CB 3.25Å; G270-F274 WeakPolarHBondContact O-CB 3.39Å; G270-F274 PolarHBondContact O-N 3.03Å; L271-F274 HydrophobicContact CD2-CD1 4.36Å; I272-F274 VanDerWaalsContact C-N 3.34Å; I272-F274 PolarHBondContact O-N 3.18Å; F274-A277 PolarHBondContact O-N 3.22Å; F274-L278 HydrophobicContact CD1-CD1 4.41Å; F274-L278 HydrophobicContact CD2-CD1 4.22Å; F274-L278 HydrophobicContact CD2-CG 4.28Å; F274-L278 HydrophobicContact CE1-CD1 3.74Å; F274-L278 HydrophobicContact CE2-CD1 3.53Å; F274-L278 HydrophobicContact CE2-CD2 4.46Å; F274-L278 HydrophobicContact CE2-CG 3.87Å; F274-L278 HydrophobicContact CZ-CD1 3.27Å; F274-L278 HydrophobicContact CZ-CG 4.14Å; F274-L278 PolarHBondContact O-N 3.36Å |
| 275 | S | 98.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | L271 I272 V273 A277 L278 I279 | L271-S275 WeakPolarHBondContact O-CB 3.43Å; L271-S275 PolarHBondContact O-N 3.45Å; L271-S275 PolarHBondContact O-OG 3.36Å; I272-S275 PolarHBondContact O-N 3.48Å; V273-S275 PolarHBondContact O-N 3.41Å; S275-A277 VanDerWaalsContact C-N 3.34Å; S275-A277 PolarHBondContact O-N 3.23Å; S275-L278 PolarHBondContact O-N 3.45Å; S275-I279 WeakPolarHBondContact O-CB 3.45Å; S275-I279 WeakPolarHBondContact O-CD1 3.5Å; S275-I279 WeakPolarHBondContact O-CG1 3.32Å; S275-I279 PolarHBondContact O-N 3.46Å |
| 276 | L | 98.6 | Very high | 96.3 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 176.4 | -64.2 | 169 | 0 | 0 | 0 | 111.8 | I272 V273 L278 I279 N280 I305 F308 A309 L312 | I272-L276 HydrophobicContact CG2-CD1 3.91Å; I272-L276 HydrophobicContact CG2-CG 4.45Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 3.48Å; V273-L276 PolarHBondContact O-N 3.15Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.45Å; L276-I279 PolarHBondContact O-N 2.9Å; L276-N280 WeakPolarHBondContact O-CB 3.22Å; L276-N280 PolarHBondContact O-N 3.03Å; L276-N280 VanDerWaalsContact O-N 3.09Å; L276-I305 HydrophobicContact CB-CG2 4.24Å; L276-I305 HydrophobicContact CD2-CG2 4.11Å; L276-I305 WeakPolarHBondContact O-CG2 3.15Å; L276-F308 HydrophobicContact CD1-CD1 3.67Å; L276-F308 HydrophobicContact CD1-CE1 4.37Å; L276-A309 HydrophobicContact CB-CB 3.67Å; L276-A309 HydrophobicContact CD1-CB 4.23Å; L276-L312 HydrophobicContact CD1-CD1 4.26Å |
| 277 | A | 98.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W197 V238 V273 F274 S275 P281 | W197-A277 HydrophobicContact CH2-CB 3.99Å; W197-A277 HydrophobicContact CZ2-CB 4.01Å; V238-A277 WeakPolarHBondContact CG2-O 3.43Å; V273-A277 VanDerWaalsContact O-CB 3.28Å; V273-A277 WeakPolarHBondContact O-CB 3.3Å; V273-A277 PolarHBondContact O-N 2.91Å; F274-A277 PolarHBondContact O-N 3.22Å; S275-A277 VanDerWaalsContact C-N 3.34Å; S275-A277 PolarHBondContact O-N 3.23Å; A277-P281 WeakPolarHBondContact O-CD 3.18Å |
| 278 | L | 97.8 | Very high | 96 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.9 | -39.6 | 175.4 | -78.9 | -176.9 | 0 | 0 | 0 | 113.6 | V238 F274 S275 L276 N280 P281 I282 | V238-L278 HydrophobicContact CG1-CD2 3.95Å; F274-L278 HydrophobicContact CD1-CD1 4.41Å; F274-L278 HydrophobicContact CD2-CD1 4.22Å; F274-L278 HydrophobicContact CD2-CG 4.28Å; F274-L278 HydrophobicContact CE1-CD1 3.74Å; F274-L278 HydrophobicContact CE2-CD1 3.53Å; F274-L278 HydrophobicContact CE2-CD2 4.46Å; F274-L278 HydrophobicContact CE2-CG 3.87Å; F274-L278 HydrophobicContact CZ-CD1 3.27Å; F274-L278 HydrophobicContact CZ-CG 4.14Å; F274-L278 PolarHBondContact O-N 3.36Å; S275-L278 PolarHBondContact O-N 3.45Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.45Å; L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 2.94Å; L278-P281 WeakPolarHBondContact O-CD 3.5Å; L278-P281 VanDerWaalsContact O-CG 3.28Å; L278-P281 WeakPolarHBondContact O-CG 3.28Å; L278-I282 WeakPolarHBondContact O-CD1 3.45Å; L278-I282 WeakPolarHBondContact O-CG1 3.5Å |
| 279 | I | 97.6 | Very high | 95.7 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 179.5 | -72.6 | 166.4 | 0 | 0 | 0 | 110.6 | S275 L276 I282 I283 I305 | S275-I279 WeakPolarHBondContact O-CB 3.45Å; S275-I279 WeakPolarHBondContact O-CD1 3.5Å; S275-I279 WeakPolarHBondContact O-CG1 3.32Å; S275-I279 PolarHBondContact O-N 3.46Å; L276-I279 PolarHBondContact O-N 2.9Å; I279-I282 WeakPolarHBondContact O-CB 3.4Å; I279-I282 PolarHBondContact O-N 3.15Å; I279-I282 VanDerWaalsContact O-N 3.17Å; I279-I283 HydrophobicContact CG2-CD1 3.5Å; I279-I283 VanDerWaalsContact CG2-CD1 3.5Å; I279-I283 HydrophobicContact CG2-CG1 4.07Å; I279-I283 WeakPolarHBondContact O-CG1 3.39Å; I279-I283 PolarHBondContact O-N 3.32Å; I279-I305 HydrophobicContact CG2-CD1 4.14Å |
| 280 | N | 97.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | -174.9 | -156.7 | 33.6 | 0 | 0 | 0 | 115 | L276 L278 I283 A284 H302 I305 | L276-N280 WeakPolarHBondContact O-CB 3.22Å; L276-N280 PolarHBondContact O-N 3.03Å; L276-N280 VanDerWaalsContact O-N 3.09Å; L278-N280 VanDerWaalsContact C-N 3.28Å; L278-N280 PolarHBondContact O-N 2.94Å; N280-I283 PolarHBondContact O-N 3.49Å; N280-A284 PolarHBondContact O-N 3.29Å; N280-H302 PolarHBondContact ND2-CE1 3.43Å; N280-H302 PolarHBondContact OD1-CE1 2.91Å; N280-H302 PolarHBondContact OD1-ND1 3.41Å; N280-H302 PolarHBondContact OD1-O 3.33Å; N280-I305 HydrophobicContact CB-CG2 3.96Å |
| 281 | P | 95.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.6 | -31.1 | 173 | 26.2 | -34.6 | 0 | 0 | 0 | 113.1 | V238 A277 L278 I283 A284 L285 | V238-P281 HydrophobicContact CG2-CG 4.43Å; A277-P281 WeakPolarHBondContact O-CD 3.18Å; L278-P281 WeakPolarHBondContact O-CD 3.5Å; L278-P281 VanDerWaalsContact O-CG 3.28Å; L278-P281 WeakPolarHBondContact O-CG 3.28Å; P281-I283 VanDerWaalsContact C-N 3.33Å; P281-I283 PolarHBondContact O-N 3.3Å; P281-A284 CarbonylContact O-C 3.46Å; P281-A284 WeakPolarHBondContact O-CA 3.45Å; P281-A284 WeakPolarHBondContact O-CB 3.26Å; P281-A284 PolarHBondContact O-N 3.46Å; P281-A284 VanDerWaalsContact O-N 3.09Å; P281-L285 PolarHBondContact O-N 3.41Å |
| 282 | I | 94.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 64.4 Ų | 64.4 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.1 | -64.9 | 168.7 | 0 | 0 | 0 | 110 | L278 I279 A284 L285 | L278-I282 WeakPolarHBondContact O-CD1 3.45Å; L278-I282 WeakPolarHBondContact O-CG1 3.5Å; I279-I282 WeakPolarHBondContact O-CB 3.4Å; I279-I282 PolarHBondContact O-N 3.15Å; I279-I282 VanDerWaalsContact O-N 3.17Å; I282-A284 VanDerWaalsContact C-N 3.27Å; I282-A284 PolarHBondContact O-N 3.13Å; I282-L285 WeakPolarHBondContact O-CB 3.44Å; I282-L285 PolarHBondContact O-N 3.34Å; I282-L285 VanDerWaalsContact O-N 3.13Å |
| 283 | I | 93.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 19% | 0.185 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 172.9 | -67.8 | 170.7 | 0 | 0 | 0 | 110.2 | I279 N280 P281 L285 C286 F298 I301 H302 I305 | I279-I283 HydrophobicContact CG2-CD1 3.5Å; I279-I283 VanDerWaalsContact CG2-CD1 3.5Å; I279-I283 HydrophobicContact CG2-CG1 4.07Å; I279-I283 WeakPolarHBondContact O-CG1 3.39Å; I279-I283 PolarHBondContact O-N 3.32Å; N280-I283 PolarHBondContact O-N 3.49Å; P281-I283 VanDerWaalsContact C-N 3.33Å; P281-I283 PolarHBondContact O-N 3.3Å; I283-L285 PolarHBondContact O-N 2.88Å; I283-C286 WeakPolarHBondContact O-CA 3.25Å; I283-C286 WeakPolarHBondContact O-CB 3.23Å; I283-C286 PolarHBondContact O-N 3Å; I283-F298 HydrophobicContact CG2-CD2 4.13Å; I283-F298 HydrophobicContact CG2-CE2 3.95Å; I283-F298 WeakPolarHBondContact O-CE2 3.4Å; I283-I301 HydrophobicContact CD1-CG2 3.92Å; I283-I301 HydrophobicContact CG2-CG2 4.47Å; I283-H302 HydrophobicContact CG2-CB 4.44Å; I283-I305 HydrophobicContact CD1-CD1 3.2Å |
| 284 | A | 92.4 | Very high | 94 | Very high | 37 Ų | 37 | 74.4 Ų | 74.4 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.8 | -23.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | N280 P281 I282 C286 R287 | N280-A284 PolarHBondContact O-N 3.29Å; P281-A284 CarbonylContact O-C 3.46Å; P281-A284 WeakPolarHBondContact O-CA 3.45Å; P281-A284 WeakPolarHBondContact O-CB 3.26Å; P281-A284 PolarHBondContact O-N 3.46Å; P281-A284 VanDerWaalsContact O-N 3.09Å; I282-A284 VanDerWaalsContact C-N 3.27Å; I282-A284 PolarHBondContact O-N 3.13Å; A284-C286 VanDerWaalsContact C-N 3.33Å; A284-R287 WeakPolarHBondContact O-CB 3.45Å; A284-R287 PolarHBondContact O-N 2.89Å |
| 285 | L | 91.4 | Very high | 93.7 | Very high | 155 Ų | 155 | 73.8 Ų | 73.8 | 81% | 0.812 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.8 | -28.9 | 170.3 | -63.8 | 174.9 | 0 | 0 | 0 | 112.1 | P281 I282 I283 R287 | P281-L285 PolarHBondContact O-N 3.41Å; I282-L285 WeakPolarHBondContact O-CB 3.44Å; I282-L285 PolarHBondContact O-N 3.34Å; I282-L285 VanDerWaalsContact O-N 3.13Å; I283-L285 PolarHBondContact O-N 2.88Å; L285-R287 PolarHBondContact O-N 2.91Å |
| 286 | C | 90.6 | Very high | 93.5 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 68% | 0.676 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 15 | 174.7 | -55.7 | 0 | 0 | 0 | 0 | 112.7 | I283 A284 C288 | I283-C286 WeakPolarHBondContact O-CA 3.25Å; I283-C286 WeakPolarHBondContact O-CB 3.23Å; I283-C286 PolarHBondContact O-N 3Å; A284-C286 VanDerWaalsContact C-N 3.33Å; C286-C288 PolarHBondContact O-N 3.31Å; C286-C288 VanDerWaalsContact O-N 3.12Å |
| 287 | R | 91.7 | Very high | 93.3 | Very high | 90 Ų | 90 | 81.8 Ų | 81.8 | 34% | 0.34 | 43% | 0.434 | S | S | . | . | trans | -66 | 110.4 | -175.4 | -179.1 | 178.8 | 172.9 | 172.6 | -5.2 | 111.3 | A284 L285 F298 | A284-R287 WeakPolarHBondContact O-CB 3.45Å; A284-R287 PolarHBondContact O-N 2.89Å; L285-R287 PolarHBondContact O-N 2.91Å; R287-F298 HydrophobicContact CB-CD2 4.46Å; R287-F298 HydrophobicContact CB-CE1 4.24Å; R287-F298 HydrophobicContact CB-CE2 3.77Å; R287-F298 HydrophobicContact CB-CZ 3.66Å; R287-F298 HydrophobicContact CG-CD1 4.29Å; R287-F298 HydrophobicContact CG-CE1 3.69Å; R287-F298 HydrophobicContact CG-CE2 4.14Å; R287-F298 HydrophobicContact CG-CZ 3.6Å | ||
| 288 | C | 91.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 82.5 Ų | 82.5 | 19% | 0.189 | 44% | 0.436 | C | S | . | . | trans | -71.7 | 160.3 | 174.7 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | C286 H292 R295 | C286-C288 PolarHBondContact O-N 3.31Å; C286-C288 VanDerWaalsContact O-N 3.12Å; C288-H292 HydrophobicContact CB-CB 3.91Å; C288-R295 PolarHBondContact O-NH1 2.91Å; C288-R295 WeakPolarHBondContact SG-CA 3.39Å | ||
| 289 | N | 89.8 | Confident | 92.9 | Very high | 115 Ų | 115 | 82.9 Ų | 82.9 | 62% | 0.615 | 44% | 0.438 | S | S | * | . | trans | -53.6 | 144.7 | 175.6 | -169.2 | 35.7 | 0 | 0 | 0 | 111.3 | A291 H292 | N289-A291 PolarHBondContact O-N 3.2Å; N289-A291 VanDerWaalsContact O-N 3.08Å; N289-H292 VanDerWaalsContact O-CB 3.23Å; N289-H292 WeakPolarHBondContact O-CB 3.48Å; N289-H292 PolarHBondContact O-N 2.9Å | ||
| 290 | P | 85 | Confident | 92.8 | Very high | 92 Ų | 92 | 86 Ų | 86 | 60% | 0.597 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.5 | -178.1 | -31 | 39.8 | 0 | 0 | 0 | 116 | ||
| 291 | A | 89.6 | Confident | 92.7 | Very high | 93 Ų | 93 | 89 Ų | 89 | 77% | 0.769 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N289 | N289-A291 PolarHBondContact O-N 3.2Å; N289-A291 VanDerWaalsContact O-N 3.08Å |
| 292 | H | 93.2 | Very high | 92.8 | Very high | 84 Ų | 84 | 88.2 Ų | 88.2 | 39% | 0.389 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -75.6 | 143.4 | -177.6 | -165.7 | -75.5 | 0 | 0 | 0 | 111.8 | C288 N289 Y294 R295 | C288-H292 HydrophobicContact CB-CB 3.91Å; N289-H292 VanDerWaalsContact O-CB 3.23Å; N289-H292 WeakPolarHBondContact O-CB 3.48Å; N289-H292 PolarHBondContact O-N 2.9Å; H292-Y294 AromaticContact CE1-CD2 3.45Å; H292-Y294 VanDerWaalsContact CE1-CD2 3.45Å; H292-Y294 WeakPolarHBondContact CE1-CD2 3.06Å; H292-Y294 AromaticContact ND1-CD2 3.96Å; H292-Y294 PolarHBondContact ND1-N 3.41Å; H292-Y294 VanDerWaalsContact ND1-N 3.18Å; H292-Y294 PolarHBondContact O-N 3.4Å; H292-R295 WeakPolarHBondContact O-CB 3.34Å; H292-R295 PolarHBondContact O-N 3.38Å |
| 293 | E | 94.2 | Very high | 92.8 | Very high | 142 Ų | 142 | 86.7 Ų | 86.7 | 66% | 0.664 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -40.3 | -177.7 | 60 | -177.2 | -178.2 | 0 | 0 | 114 | R295 P296 | E293-R295 PolarHBondContact O-N 3.05Å; E293-P296 WeakPolarHBondContact O-CD 3.5Å |
| 294 | Y | 93.7 | Very high | 92.9 | Very high | 142 Ų | 142 | 90.7 Ų | 90.7 | 56% | 0.557 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | 2.2 | 175.7 | -58.6 | -45.8 | 0 | 0 | 0 | 115.6 | H292 P296 W297 F298 | H292-Y294 AromaticContact CE1-CD2 3.45Å; H292-Y294 VanDerWaalsContact CE1-CD2 3.45Å; H292-Y294 WeakPolarHBondContact CE1-CD2 3.06Å; H292-Y294 AromaticContact ND1-CD2 3.96Å; H292-Y294 PolarHBondContact ND1-N 3.41Å; H292-Y294 VanDerWaalsContact ND1-N 3.18Å; H292-Y294 PolarHBondContact O-N 3.4Å; Y294-P296 VanDerWaalsContact C-CD 3.47Å; Y294-W297 PolarHBondContact O-N 2.96Å; Y294-F298 PolarHBondContact O-N 2.91Å |
| 295 | R | 93.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 90.5 Ų | 90.5 | 11% | 0.113 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.2 | -42.1 | 179.1 | -179 | 68.9 | -171.5 | 163.2 | 22.6 | 113.8 | C288 H292 E293 N299 | C288-R295 PolarHBondContact O-NH1 2.91Å; C288-R295 WeakPolarHBondContact SG-CA 3.39Å; H292-R295 WeakPolarHBondContact O-CB 3.34Å; H292-R295 PolarHBondContact O-N 3.38Å; E293-R295 PolarHBondContact O-N 3.05Å; R295-N299 VanDerWaalsContact CZ-OD1 3.28Å; R295-N299 PolarHBondContact NE-OD1 2.96Å; R295-N299 PolarHBondContact NH2-OD1 3.33Å; R295-N299 PolarHBondContact O-N 2.81Å; R295-N299 PolarHBondContact O-ND2 3.4Å |
| 296 | P | 94.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 84 Ų | 84 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 177.2 | -22.7 | 36.5 | 0 | 0 | 0 | 112.9 | E293 Y294 N299 W300 | E293-P296 WeakPolarHBondContact O-CD 3.5Å; Y294-P296 VanDerWaalsContact C-CD 3.47Å; P296-N299 PolarHBondContact O-N 3.42Å; P296-W300 PolarHBondContact O-N 3.05Å |
| 297 | W | 94 | Very high | 93.7 | Very high | 178 Ų | 178 | 80.9 Ų | 80.9 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.4 | -47.8 | 176.6 | -75.2 | 111.9 | 0 | 0 | 0 | 111.8 | Y294 N299 W300 I301 | Y294-W297 PolarHBondContact O-N 2.96Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 2.91Å; W297-W300 PolarHBondContact O-N 3.48Å; W297-I301 WeakPolarHBondContact O-CG1 2.93Å; W297-I301 PolarHBondContact O-N 2.76Å |
| 298 | F | 94.8 | Very high | 94 | Very high | 23 Ų | 23 | 81.9 Ų | 81.9 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -53.7 | -49.2 | 172.4 | 165.1 | -91.3 | 0 | 0 | 0 | 111.4 | I283 R287 Y294 W300 I301 H302 | I283-F298 HydrophobicContact CG2-CD2 4.13Å; I283-F298 HydrophobicContact CG2-CE2 3.95Å; I283-F298 WeakPolarHBondContact O-CE2 3.4Å; R287-F298 HydrophobicContact CB-CD2 4.46Å; R287-F298 HydrophobicContact CB-CE1 4.24Å; R287-F298 HydrophobicContact CB-CE2 3.77Å; R287-F298 HydrophobicContact CB-CZ 3.66Å; R287-F298 HydrophobicContact CG-CD1 4.29Å; R287-F298 HydrophobicContact CG-CE1 3.69Å; R287-F298 HydrophobicContact CG-CE2 4.14Å; R287-F298 HydrophobicContact CG-CZ 3.6Å; Y294-F298 PolarHBondContact O-N 2.91Å; F298-W300 VanDerWaalsContact C-N 3.34Å; F298-W300 PolarHBondContact O-N 2.96Å; F298-I301 PolarHBondContact O-N 3.23Å; F298-H302 HydrophobicContact CE2-CB 4.46Å; F298-H302 HydrophobicContact CZ-CB 4.25Å; F298-H302 VanDerWaalsContact O-CB 3.24Å; F298-H302 WeakPolarHBondContact O-CB 2.97Å; F298-H302 PolarHBondContact O-N 2.96Å |
| 299 | N | 93.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 80.7 Ų | 80.7 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | -178 | -69.6 | -29.9 | 0 | 0 | 0 | 111.4 | R295 P296 W297 F303 | R295-N299 VanDerWaalsContact CZ-OD1 3.28Å; R295-N299 PolarHBondContact NE-OD1 2.96Å; R295-N299 PolarHBondContact NH2-OD1 3.33Å; R295-N299 PolarHBondContact O-N 2.81Å; R295-N299 PolarHBondContact O-ND2 3.4Å; P296-N299 PolarHBondContact O-N 3.42Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 2.91Å; N299-F303 WeakPolarHBondContact O-CB 3.32Å; N299-F303 PolarHBondContact O-N 3.36Å |
| 300 | W | 94.9 | Very high | 94.7 | Very high | 143 Ų | 143 | 76.5 Ų | 76.5 | 54% | 0.542 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 178.8 | -90.1 | 114.1 | 0 | 0 | 0 | 112.4 | P296 W297 F298 F303 F304 | P296-W300 PolarHBondContact O-N 3.05Å; W297-W300 PolarHBondContact O-N 3.48Å; F298-W300 VanDerWaalsContact C-N 3.34Å; F298-W300 PolarHBondContact O-N 2.96Å; W300-F303 AromaticContact CE3-CD1 3.97Å; W300-F303 HydrophobicContact CE3-CD1 3.97Å; W300-F303 HydrophobicContact CZ3-CD1 4.09Å; W300-F303 HydrophobicContact CZ3-CE1 4.25Å; W300-F303 WeakPolarHBondContact O-CB 3.47Å; W300-F303 PolarHBondContact O-N 2.67Å; W300-F304 HydrophobicContact CB-CD2 4.5Å; W300-F304 HydrophobicContact CD2-CE2 4.01Å; W300-F304 AromaticContact CE3-CD2 3.74Å; W300-F304 HydrophobicContact CE3-CD2 3.74Å; W300-F304 HydrophobicContact CE3-CE1 4.35Å; W300-F304 AromaticContact CE3-CE2 3.06Å; W300-F304 HydrophobicContact CE3-CE2 3.06Å; W300-F304 AromaticContact CE3-CZ 3.43Å; W300-F304 HydrophobicContact CE3-CZ 3.43Å; W300-F304 VanDerWaalsContact CE3-CZ 3.43Å; W300-F304 HydrophobicContact CH2-CZ 4.32Å; W300-F304 HydrophobicContact CZ3-CD2 4.38Å; W300-F304 HydrophobicContact CZ3-CE1 4.05Å; W300-F304 AromaticContact CZ3-CE2 3.46Å; W300-F304 HydrophobicContact CZ3-CE2 3.46Å; W300-F304 VanDerWaalsContact CZ3-CE2 3.46Å; W300-F304 AromaticContact CZ3-CZ 3.24Å; W300-F304 HydrophobicContact CZ3-CZ 3.24Å; W300-F304 WeakPolarHBondContact O-CD2 3.34Å; W300-F304 PolarHBondContact O-N 3.39Å |
| 301 | I | 96 | Very high | 95.3 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 42% | 0.415 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | -179.6 | -67.4 | 168.5 | 0 | 0 | 0 | 110.5 | I283 W297 F298 F303 F304 I305 | I283-I301 HydrophobicContact CD1-CG2 3.92Å; I283-I301 HydrophobicContact CG2-CG2 4.47Å; W297-I301 WeakPolarHBondContact O-CG1 2.93Å; W297-I301 PolarHBondContact O-N 2.76Å; F298-I301 PolarHBondContact O-N 3.23Å; I301-F303 VanDerWaalsContact C-N 3.27Å; I301-F303 PolarHBondContact O-N 3.4Å; I301-F304 PolarHBondContact O-N 3.34Å; I301-I305 HydrophobicContact CG2-CD1 3.72Å; I301-I305 WeakPolarHBondContact O-CG1 3.13Å; I301-I305 PolarHBondContact O-N 3.11Å |
| 302 | H | 96.2 | Very high | 95.7 | Very high | 41 Ų | 41 | 73.9 Ų | 73.9 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 176.9 | 178.3 | 68.8 | 0 | 0 | 0 | 111.8 | N280 I283 F298 G306 | N280-H302 PolarHBondContact ND2-CE1 3.43Å; N280-H302 PolarHBondContact OD1-CE1 2.91Å; N280-H302 PolarHBondContact OD1-ND1 3.41Å; N280-H302 PolarHBondContact OD1-O 3.33Å; I283-H302 HydrophobicContact CG2-CB 4.44Å; F298-H302 HydrophobicContact CE2-CB 4.46Å; F298-H302 HydrophobicContact CZ-CB 4.25Å; F298-H302 VanDerWaalsContact O-CB 3.24Å; F298-H302 WeakPolarHBondContact O-CB 2.97Å; F298-H302 PolarHBondContact O-N 2.96Å; H302-G306 PolarHBondContact O-N 3.15Å; H302-G306 VanDerWaalsContact O-N 3.16Å |
| 303 | F | 95.6 | Very high | 96 | Very high | 70 Ų | 70 | 70 Ų | 70 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -51 | 176.7 | 169.1 | -106.9 | 0 | 0 | 0 | 112.5 | N299 W300 I301 T307 | N299-F303 WeakPolarHBondContact O-CB 3.32Å; N299-F303 PolarHBondContact O-N 3.36Å; W300-F303 AromaticContact CE3-CD1 3.97Å; W300-F303 HydrophobicContact CE3-CD1 3.97Å; W300-F303 HydrophobicContact CZ3-CD1 4.09Å; W300-F303 HydrophobicContact CZ3-CE1 4.25Å; W300-F303 WeakPolarHBondContact O-CB 3.47Å; W300-F303 PolarHBondContact O-N 2.67Å; I301-F303 VanDerWaalsContact C-N 3.27Å; I301-F303 PolarHBondContact O-N 3.4Å; F303-T307 WeakPolarHBondContact CE2-OG1 3.26Å; F303-T307 HydrophobicContact CZ-CG2 4.42Å; F303-T307 WeakPolarHBondContact CZ-OG1 3.4Å; F303-T307 VanDerWaalsContact O-CB 3.29Å; F303-T307 WeakPolarHBondContact O-CB 3.17Å; F303-T307 PolarHBondContact O-N 2.85Å; F303-T307 PolarHBondContact O-OG1 3.18Å |
| 304 | F | 96.3 | Very high | 96.2 | Very high | 121 Ų | 121 | 64.6 Ų | 64.6 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -45.8 | -177.3 | -81.3 | -59.2 | 0 | 0 | 0 | 111.9 | W300 I301 T307 F308 | W300-F304 HydrophobicContact CB-CD2 4.5Å; W300-F304 HydrophobicContact CD2-CE2 4.01Å; W300-F304 AromaticContact CE3-CD2 3.74Å; W300-F304 HydrophobicContact CE3-CD2 3.74Å; W300-F304 HydrophobicContact CE3-CE1 4.35Å; W300-F304 AromaticContact CE3-CE2 3.06Å; W300-F304 HydrophobicContact CE3-CE2 3.06Å; W300-F304 AromaticContact CE3-CZ 3.43Å; W300-F304 HydrophobicContact CE3-CZ 3.43Å; W300-F304 VanDerWaalsContact CE3-CZ 3.43Å; W300-F304 HydrophobicContact CH2-CZ 4.32Å; W300-F304 HydrophobicContact CZ3-CD2 4.38Å; W300-F304 HydrophobicContact CZ3-CE1 4.05Å; W300-F304 AromaticContact CZ3-CE2 3.46Å; W300-F304 HydrophobicContact CZ3-CE2 3.46Å; W300-F304 VanDerWaalsContact CZ3-CE2 3.46Å; W300-F304 AromaticContact CZ3-CZ 3.24Å; W300-F304 HydrophobicContact CZ3-CZ 3.24Å; W300-F304 WeakPolarHBondContact O-CD2 3.34Å; W300-F304 PolarHBondContact O-N 3.39Å; I301-F304 PolarHBondContact O-N 3.34Å; F304-T307 PolarHBondContact O-N 3.16Å; F304-F308 WeakPolarHBondContact O-CB 3.31Å; F304-F308 PolarHBondContact O-N 2.92Å |
| 305 | I | 97.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 16% | 0.164 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -48.3 | -179.3 | -69 | 169.8 | 0 | 0 | 0 | 110.7 | L276 I279 N280 I283 I301 T307 F308 A309 | L276-I305 HydrophobicContact CB-CG2 4.24Å; L276-I305 HydrophobicContact CD2-CG2 4.11Å; L276-I305 WeakPolarHBondContact O-CG2 3.15Å; I279-I305 HydrophobicContact CG2-CD1 4.14Å; N280-I305 HydrophobicContact CB-CG2 3.96Å; I283-I305 HydrophobicContact CD1-CD1 3.2Å; I301-I305 HydrophobicContact CG2-CD1 3.72Å; I301-I305 WeakPolarHBondContact O-CG1 3.13Å; I301-I305 PolarHBondContact O-N 3.11Å; I305-T307 PolarHBondContact O-N 2.83Å; I305-F308 PolarHBondContact O-N 3.13Å; I305-A309 WeakPolarHBondContact O-CB 3.23Å; I305-A309 PolarHBondContact O-N 3.13Å |
| 306 | G | 96.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 19% | 0.186 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | H302 Y310 | H302-G306 PolarHBondContact O-N 3.15Å; H302-G306 VanDerWaalsContact O-N 3.16Å; G306-Y310 PolarHBondContact O-N 3.4Å; G306-Y310 VanDerWaalsContact O-N 3.11Å |
| 307 | T | 96 | Very high | 96.7 | Very high | 35 Ų | 35 | 57 Ų | 57 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.2 | -42.8 | -180 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | F303 F304 I305 Y310 I311 | F303-T307 WeakPolarHBondContact CE2-OG1 3.26Å; F303-T307 HydrophobicContact CZ-CG2 4.42Å; F303-T307 WeakPolarHBondContact CZ-OG1 3.4Å; F303-T307 VanDerWaalsContact O-CB 3.29Å; F303-T307 WeakPolarHBondContact O-CB 3.17Å; F303-T307 PolarHBondContact O-N 2.85Å; F303-T307 PolarHBondContact O-OG1 3.18Å; F304-T307 PolarHBondContact O-N 3.16Å; I305-T307 PolarHBondContact O-N 2.83Å; T307-Y310 PolarHBondContact O-N 3.36Å; T307-I311 HydrophobicContact CG2-CD1 3.96Å; T307-I311 HydrophobicContact CG2-CG1 4.5Å; T307-I311 WeakPolarHBondContact O-CG1 3.5Å; T307-I311 PolarHBondContact O-N 3.44Å |
| 308 | F | 97.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 51 Ų | 51 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 179.8 | -164.4 | -118.2 | 0 | 0 | 0 | 111.7 | L276 F304 I305 Y310 I311 L312 | L276-F308 HydrophobicContact CD1-CD1 3.67Å; L276-F308 HydrophobicContact CD1-CE1 4.37Å; F304-F308 WeakPolarHBondContact O-CB 3.31Å; F304-F308 PolarHBondContact O-N 2.92Å; I305-F308 PolarHBondContact O-N 3.13Å; F308-Y310 VanDerWaalsContact C-N 3.33Å; F308-Y310 PolarHBondContact O-N 2.93Å; F308-I311 PolarHBondContact O-N 3.38Å; F308-L312 HydrophobicContact CD1-CD1 3.86Å; F308-L312 HydrophobicContact CE1-CD1 3.47Å; F308-L312 VanDerWaalsContact CE1-CD1 3.47Å; F308-L312 HydrophobicContact CE1-CG 4.27Å; F308-L312 HydrophobicContact CE2-CG 4.5Å; F308-L312 HydrophobicContact CZ-CD1 3.83Å; F308-L312 HydrophobicContact CZ-CD2 4.48Å; F308-L312 HydrophobicContact CZ-CG 4.25Å; F308-L312 WeakPolarHBondContact O-CB 3.25Å; F308-L312 WeakPolarHBondContact O-CG 3.03Å; F308-L312 PolarHBondContact O-N 3.07Å |
| 309 | A | 98.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W197 L276 I305 L312 S313 | W197-A309 HydrophobicContact CH2-CB 3.95Å; W197-A309 HydrophobicContact CZ3-CB 4.18Å; L276-A309 HydrophobicContact CB-CB 3.67Å; L276-A309 HydrophobicContact CD1-CB 4.23Å; I305-A309 WeakPolarHBondContact O-CB 3.23Å; I305-A309 PolarHBondContact O-N 3.13Å; A309-L312 PolarHBondContact O-N 2.93Å; A309-S313 WeakPolarHBondContact O-CB 3.1Å; A309-S313 PolarHBondContact O-N 3.47Å |
| 310 | Y | 98 | Very high | 96.6 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 179 | -176 | -107.8 | 0 | 0 | 0 | 112.2 | W197 A201 S202 I205 G306 T307 F308 L312 S313 Q347 | W197-Y310 HydrophobicContact CE3-CD2 4.26Å; A201-Y310 HydrophobicContact CB-CD2 3.89Å; A201-Y310 HydrophobicContact CB-CE2 4.08Å; S202-Y310 WeakPolarHBondContact CB-OH 3.31Å; S202-Y310 WeakPolarHBondContact OG-CE2 3.17Å; S202-Y310 PolarHBondContact OG-OH 3.26Å; I205-Y310 HydrophobicContact CD1-CD1 3.87Å; I205-Y310 HydrophobicContact CD1-CD2 3.58Å; I205-Y310 HydrophobicContact CD1-CE1 4.41Å; I205-Y310 HydrophobicContact CD1-CE2 4.15Å; I205-Y310 HydrophobicContact CD1-CG 3.41Å; I205-Y310 VanDerWaalsContact CD1-CG 3.41Å; G306-Y310 PolarHBondContact O-N 3.4Å; G306-Y310 VanDerWaalsContact O-N 3.11Å; T307-Y310 PolarHBondContact O-N 3.36Å; F308-Y310 VanDerWaalsContact C-N 3.33Å; F308-Y310 PolarHBondContact O-N 2.93Å; Y310-L312 PolarHBondContact O-N 3.27Å; Y310-S313 WeakPolarHBondContact O-CB 3.28Å; Y310-S313 PolarHBondContact O-N 3.31Å; Y310-S313 PolarHBondContact O-OG 3.41Å; Y310-Q347 HydrophobicContact CE1-CG 4.34Å; Y310-Q347 WeakPolarHBondContact OH-CG 3.41Å |
| 311 | I | 97.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 43.3 Ų | 43.3 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.1 | -47 | 177.2 | -69 | 169.6 | 0 | 0 | 0 | 111 | T307 F308 S313 V314 P315 | T307-I311 HydrophobicContact CG2-CD1 3.96Å; T307-I311 HydrophobicContact CG2-CG1 4.5Å; T307-I311 WeakPolarHBondContact O-CG1 3.5Å; T307-I311 PolarHBondContact O-N 3.44Å; F308-I311 PolarHBondContact O-N 3.38Å; I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 3.38Å; I311-V314 PolarHBondContact O-N 3.44Å; I311-P315 WeakPolarHBondContact O-CD 3.23Å |
| 312 | L | 98.5 | Very high | 95.7 | Very high | 29 Ų | 29 | 41.7 Ų | 41.7 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.6 | -22.8 | -179.8 | -71.3 | -178.3 | 0 | 0 | 0 | 113.5 | I272 V273 L276 F308 A309 Y310 V314 P315 T316 | I272-L312 HydrophobicContact CG2-CD1 3.69Å; V273-L312 HydrophobicContact CG2-CB 3.56Å; L276-L312 HydrophobicContact CD1-CD1 4.26Å; F308-L312 HydrophobicContact CD1-CD1 3.86Å; F308-L312 HydrophobicContact CE1-CD1 3.47Å; F308-L312 VanDerWaalsContact CE1-CD1 3.47Å; F308-L312 HydrophobicContact CE1-CG 4.27Å; F308-L312 HydrophobicContact CE2-CG 4.5Å; F308-L312 HydrophobicContact CZ-CD1 3.83Å; F308-L312 HydrophobicContact CZ-CD2 4.48Å; F308-L312 HydrophobicContact CZ-CG 4.25Å; F308-L312 WeakPolarHBondContact O-CB 3.25Å; F308-L312 WeakPolarHBondContact O-CG 3.03Å; F308-L312 PolarHBondContact O-N 3.07Å; A309-L312 PolarHBondContact O-N 2.93Å; Y310-L312 PolarHBondContact O-N 3.27Å; L312-V314 PolarHBondContact O-N 3.46Å; L312-P315 VanDerWaalsContact O-CD 3.31Å; L312-P315 WeakPolarHBondContact O-CD 3.23Å; L312-P315 WeakPolarHBondContact O-CG 3.21Å; L312-T316 WeakPolarHBondContact O-CB 3.47Å; L312-T316 PolarHBondContact O-N 2.89Å; L312-T316 PolarHBondContact O-OG1 3.3Å |
| 313 | S | 98.6 | Very high | 95 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.8 | -32.6 | 176.5 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | W197 A309 Y310 I311 T316 M317 | W197-S313 VanDerWaalsContact CD2-CB 3.45Å; W197-S313 VanDerWaalsContact CE3-CB 3.4Å; A309-S313 WeakPolarHBondContact O-CB 3.1Å; A309-S313 PolarHBondContact O-N 3.47Å; Y310-S313 WeakPolarHBondContact O-CB 3.28Å; Y310-S313 PolarHBondContact O-N 3.31Å; Y310-S313 PolarHBondContact O-OG 3.41Å; I311-S313 VanDerWaalsContact C-N 3.27Å; I311-S313 PolarHBondContact O-N 3.38Å; S313-T316 WeakPolarHBondContact O-CB 3.35Å; S313-T316 PolarHBondContact O-N 2.95Å; S313-M317 WeakPolarHBondContact O-CB 3.22Å; S313-M317 WeakPolarHBondContact O-CG 3.45Å; S313-M317 PolarHBondContact O-N 3.18Å |
| 314 | V | 98 | Very high | 93.8 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -60.9 | -179 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | I311 L312 T316 M317 M318 L340 V344 | I311-V314 PolarHBondContact O-N 3.44Å; L312-V314 PolarHBondContact O-N 3.46Å; V314-T316 PolarHBondContact O-N 3.42Å; V314-M317 PolarHBondContact O-N 3.05Å; V314-M317 VanDerWaalsContact O-N 3.15Å; V314-M318 HydrophobicContact CG1-SD 4.32Å; V314-M318 WeakPolarHBondContact O-CG 3.48Å; V314-M318 PolarHBondContact O-N 2.97Å; V314-L340 HydrophobicContact CG1-CD2 4.46Å; V314-V344 HydrophobicContact CG1-CG2 3.71Å; V314-V344 HydrophobicContact CG2-CG2 3.94Å |
| 315 | P | 97.5 | Very high | 92.7 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.7 | -31.2 | 177.1 | 24.8 | -33.6 | 0 | 0 | 0 | 111.7 | I311 L312 M318 L319 | I311-P315 WeakPolarHBondContact O-CD 3.23Å; L312-P315 VanDerWaalsContact O-CD 3.31Å; L312-P315 WeakPolarHBondContact O-CD 3.23Å; L312-P315 WeakPolarHBondContact O-CG 3.21Å; P315-M318 PolarHBondContact O-N 3.37Å; P315-L319 WeakPolarHBondContact O-CG 3.17Å; P315-L319 PolarHBondContact O-N 3.38Å |
| 316 | T | 98.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 32 Ų | 32 | 9% | 0.086 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.7 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | H266 L269 L312 S313 V314 L319 G320 | H266-T316 PolarHBondContact CE1-O 3.42Å; H266-T316 PolarHBondContact ND1-O 2.87Å; L269-T316 HydrophobicContact CB-CG2 4.35Å; L269-T316 VanDerWaalsContact CB-OG1 3.27Å; L269-T316 WeakPolarHBondContact CB-OG1 3.32Å; L312-T316 WeakPolarHBondContact O-CB 3.47Å; L312-T316 PolarHBondContact O-N 2.89Å; L312-T316 PolarHBondContact O-OG1 3.3Å; S313-T316 WeakPolarHBondContact O-CB 3.35Å; S313-T316 PolarHBondContact O-N 2.95Å; V314-T316 PolarHBondContact O-N 3.42Å; T316-L319 PolarHBondContact O-N 3.31Å; T316-G320 PolarHBondContact O-N 2.85Å |
| 317 | M | 97.6 | Very high | 89.9 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 11% | 0.108 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 174.7 | -75 | -171.6 | -68.7 | 0 | 0 | 112 | W197 V198 S313 V314 L319 G320 L321 L340 | W197-M317 HydrophobicContact CB-CE 4Å; W197-M317 HydrophobicContact CB-SD 4.14Å; V198-M317 HydrophobicContact CG2-CE 3.97Å; V198-M317 HydrophobicContact CG2-SD 4Å; S313-M317 WeakPolarHBondContact O-CB 3.22Å; S313-M317 WeakPolarHBondContact O-CG 3.45Å; S313-M317 PolarHBondContact O-N 3.18Å; V314-M317 PolarHBondContact O-N 3.05Å; V314-M317 VanDerWaalsContact O-N 3.15Å; M317-L319 VanDerWaalsContact C-N 3.35Å; M317-L319 PolarHBondContact O-N 3.14Å; M317-G320 PolarHBondContact O-N 3.27Å; M317-G320 VanDerWaalsContact O-N 3.15Å; M317-L321 WeakPolarHBondContact O-CG 3.24Å; M317-L321 PolarHBondContact O-N 2.98Å; M317-L340 HydrophobicContact CB-CD2 3.88Å; M317-L340 HydrophobicContact CE-CD1 4.02Å; M317-L340 HydrophobicContact CE-CD2 4.46Å |
| 318 | M | 95.2 | Very high | 88.1 | Confident | 52 Ų | 52 | 31.4 Ų | 31.4 | 26% | 0.256 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60 | -44.2 | 176.4 | -68.1 | 179.9 | 80.9 | 0 | 0 | 111.9 | V314 P315 L337 L340 I341 | V314-M318 HydrophobicContact CG1-SD 4.32Å; V314-M318 WeakPolarHBondContact O-CG 3.48Å; V314-M318 PolarHBondContact O-N 2.97Å; P315-M318 PolarHBondContact O-N 3.37Å; M318-L337 HydrophobicContact CB-CD2 4Å; M318-L337 HydrophobicContact CE-CB 4.5Å; M318-L337 HydrophobicContact CE-CD1 4.49Å; M318-L337 HydrophobicContact CG-CD2 4.22Å; M318-L340 HydrophobicContact CG-CD2 3.57Å; M318-I341 HydrophobicContact CE-CD1 3.97Å; M318-I341 HydrophobicContact CE-CG1 3.99Å |
| 319 | L | 91.7 | Very high | 86.6 | Confident | 37 Ų | 37 | 31.1 Ų | 31.1 | 19% | 0.194 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.6 | -39.7 | 173.9 | -67.3 | 171.1 | 0 | 0 | 0 | 111.3 | P262 I265 H266 L269 P315 T316 M317 L321 R322 M323 | P262-L319 HydrophobicContact CB-CD2 4.02Å; P262-L319 HydrophobicContact CG-CD2 4.19Å; I265-L319 HydrophobicContact CB-CD1 4.04Å; I265-L319 HydrophobicContact CG2-CD1 3.74Å; H266-L319 HydrophobicContact CB-CB 3.92Å; H266-L319 HydrophobicContact CB-CD1 4.48Å; L269-L319 HydrophobicContact CD1-CD1 3.98Å; P315-L319 WeakPolarHBondContact O-CG 3.17Å; P315-L319 PolarHBondContact O-N 3.38Å; T316-L319 PolarHBondContact O-N 3.31Å; M317-L319 VanDerWaalsContact C-N 3.35Å; M317-L319 PolarHBondContact O-N 3.14Å; L319-L321 PolarHBondContact O-N 2.68Å; L319-R322 PolarHBondContact O-N 3.43Å; L319-M323 PolarHBondContact O-N 2.98Å |
| 320 | G | 91.7 | Very high | 85.4 | Confident | 19 Ų | 19 | 31 Ų | 31 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H266 T316 M317 R322 M323 | H266-G320 PolarHBondContact ND1-N 3.47Å; T316-G320 PolarHBondContact O-N 2.85Å; M317-G320 PolarHBondContact O-N 3.27Å; M317-G320 VanDerWaalsContact O-N 3.15Å; G320-R322 PolarHBondContact O-N 3.45Å; G320-R322 VanDerWaalsContact O-N 3.13Å; G320-M323 WeakPolarHBondContact O-CB 3.48Å; G320-M323 PolarHBondContact O-N 2.82Å |
| 321 | L | 90.4 | Very high | 84.1 | Confident | 14 Ų | 14 | 30.6 Ų | 30.6 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | 174.9 | -72.8 | 167.6 | 0 | 0 | 0 | 113 | M317 L319 L330 P336 L337 I426 | M317-L321 WeakPolarHBondContact O-CG 3.24Å; M317-L321 PolarHBondContact O-N 2.98Å; L319-L321 PolarHBondContact O-N 2.68Å; L321-L330 HydrophobicContact CD2-CD1 4.49Å; L321-L330 HydrophobicContact CD2-CD2 4.06Å; L321-L330 WeakPolarHBondContact O-CG 3.48Å; L321-P336 HydrophobicContact CD1-CB 4.13Å; L321-P336 HydrophobicContact CD2-CB 4.29Å; L321-L337 HydrophobicContact CB-CD2 4.09Å; L321-L337 HydrophobicContact CD1-CD2 3.89Å; L321-I426 HydrophobicContact CD2-CD1 3.97Å; L321-I426 HydrophobicContact CD2-CG1 3.86Å |
| 322 | R | 82.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 32.4 Ų | 32.4 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 1.2 | 178.4 | -61.8 | -64.4 | -178.3 | 159.1 | 9.6 | 113.8 | Y263 L319 G320 Q331 F332 I333 N334 | Y263-R322 VanDerWaalsContact CE1-O 3.3Å; Y263-R322 WeakPolarHBondContact CE1-O 3.4Å; L319-R322 PolarHBondContact O-N 3.43Å; G320-R322 PolarHBondContact O-N 3.45Å; G320-R322 VanDerWaalsContact O-N 3.13Å; R322-Q331 WeakPolarHBondContact CD-O 3.14Å; R322-Q331 PolarHBondContact NH1-O 3.29Å; R322-Q331 WeakPolarHBondContact O-CG 3.39Å; R322-F332 VanDerWaalsContact NH1-C 3.27Å; R322-F332 PolarHBondContact NH1-O 3.23Å; R322-I333 PolarHBondContact NH1-O 3.05Å; R322-N334 PolarHBondContact NH1-OD1 3.2Å; R322-N334 VanDerWaalsContact NH1-OD1 3.11Å; R322-N334 PolarHBondContact NH2-OD1 3.41Å |
| 323 | M | 80.1 | Confident | 81.6 | Confident | 25 Ų | 25 | 33.1 Ų | 33.1 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | trans | -68.9 | 134.2 | -180 | -72 | -65.4 | -72 | 0 | 0 | 110.5 | Y263 H266 L319 G320 A325 A326 | Y263-M323 HydrophobicContact CD1-SD 3.98Å; Y263-M323 HydrophobicContact CG-SD 4.32Å; H266-M323 HydrophobicContact CB-SD 4.14Å; L319-M323 PolarHBondContact O-N 2.98Å; G320-M323 WeakPolarHBondContact O-CB 3.48Å; G320-M323 PolarHBondContact O-N 2.82Å; M323-A325 PolarHBondContact O-N 3.12Å; M323-A325 VanDerWaalsContact O-N 3.13Å; M323-A326 WeakPolarHBondContact O-CB 3.32Å; M323-A326 PolarHBondContact O-N 2.96Å | ||
| 324 | P | 70.2 | Confident | 81.1 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -53.8 | -34.3 | 176.3 | -31.5 | 37.9 | 0 | 0 | 0 | 114 | A155 Y263 A326 G327 | A155-P324 WeakPolarHBondContact O-CB 3.39Å; Y263-P324 HydrophobicContact CE2-CG 4.45Å; P324-A326 PolarHBondContact O-N 3.35Å; P324-G327 PolarHBondContact O-N 2.89Å |
| 325 | A | 73 | Confident | 80.6 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 6% | 0.058 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -61.2 | -23.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A155 G182 S183 A186 Y251 M323 G327 | A155-A325 HydrophobicContact CB-CB 3.96Å; G182-A325 CarbonylContact C-O 3.29Å; G182-A325 WeakPolarHBondContact CA-O 3.34Å; S183-A325 PolarHBondContact N-O 3.27Å; A186-A325 HydrophobicContact CB-CB 3.87Å; Y251-A325 HydrophobicContact CE1-CB 3.72Å; M323-A325 PolarHBondContact O-N 3.12Å; M323-A325 VanDerWaalsContact O-N 3.13Å; A325-G327 VanDerWaalsContact C-N 3.31Å |
| 326 | A | 71.7 | Confident | 80.4 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -78.3 | -18.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K187 M323 P324 L330 | K187-A326 VanDerWaalsContact CE-O 3.26Å; K187-A326 WeakPolarHBondContact CE-O 3.44Å; M323-A326 WeakPolarHBondContact O-CB 3.32Å; M323-A326 PolarHBondContact O-N 2.96Å; P324-A326 PolarHBondContact O-N 3.35Å; A326-L330 HydrophobicContact CB-CD2 3.78Å |
| 327 | G | 64.3 | Low | 80.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | 122.2 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G180 P324 A325 Q329 L330 Q331 | G180-G327 WeakPolarHBondContact O-CA 3.41Å; P324-G327 PolarHBondContact O-N 2.89Å; A325-G327 VanDerWaalsContact C-N 3.31Å; G327-Q329 VanDerWaalsContact C-N 3.28Å; G327-Q329 PolarHBondContact O-N 3.48Å; G327-L330 PolarHBondContact O-N 3.34Å; G327-Q331 WeakPolarHBondContact O-CB 3.22Å; G327-Q331 PolarHBondContact O-N 3.42Å | ||
| 328 | L | 58.8 | Low | 80.2 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 21% | 0.209 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | -175.7 | -167.3 | 76.3 | 0 | 0 | 0 | 112.1 | A8 I178 G180 Q331 F332 | A8-L328 HydrophobicContact CB-CD1 4.49Å; A8-L328 HydrophobicContact CB-CD2 4.01Å; I178-L328 WeakPolarHBondContact O-CD2 3.15Å; G180-L328 PolarHBondContact O-N 2.6Å; L328-Q331 PolarHBondContact O-N 2.92Å; L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.63Å; L328-F332 HydrophobicContact CG-CD2 4.21Å; L328-F332 HydrophobicContact CG-CE2 4.1Å; L328-F332 VanDerWaalsContact O-CD2 3.23Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 3.2Å |
| 329 | Q | 65.6 | Low | 80.2 | Confident | 105 Ų | 105 | 44.7 Ų | 44.7 | 49% | 0.491 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.6 | -52.4 | 178.1 | -71.9 | -177.4 | -16.7 | 0 | 0 | 110.7 | G327 Q331 F332 I333 N429 | G327-Q329 VanDerWaalsContact C-N 3.28Å; G327-Q329 PolarHBondContact O-N 3.48Å; Q329-Q331 PolarHBondContact O-N 3.36Å; Q329-F332 PolarHBondContact O-N 2.97Å; Q329-F332 VanDerWaalsContact O-N 3.14Å; Q329-I333 HydrophobicContact CB-CD1 4Å; Q329-I333 WeakPolarHBondContact O-CB 3.48Å; Q329-I333 WeakPolarHBondContact O-CD1 3.42Å; Q329-I333 WeakPolarHBondContact O-CG1 3.4Å; Q329-I333 PolarHBondContact O-N 3.48Å; Q329-N429 HydrophobicContact CB-CB 4.17Å; Q329-N429 PolarHBondContact OE1-OD1 3.26Å |
| 330 | L | 73.1 | Confident | 80.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.1 | -36.2 | -179.6 | -165 | 68.3 | 0 | 0 | 0 | 112.2 | L321 A326 G327 F332 P336 I425 I426 N429 | L321-L330 HydrophobicContact CD2-CD1 4.49Å; L321-L330 HydrophobicContact CD2-CD2 4.06Å; L321-L330 WeakPolarHBondContact O-CG 3.48Å; A326-L330 HydrophobicContact CB-CD2 3.78Å; G327-L330 PolarHBondContact O-N 3.34Å; L330-F332 VanDerWaalsContact C-N 3.29Å; L330-F332 PolarHBondContact O-N 2.75Å; L330-P336 HydrophobicContact CD1-CB 4.5Å; L330-P336 HydrophobicContact CD1-CG 3.88Å; L330-I425 HydrophobicContact CD1-CG2 3.53Å; L330-I426 HydrophobicContact CD2-CG1 4.07Å; L330-N429 HydrophobicContact CB-CB 4.08Å; L330-N429 HydrophobicContact CD1-CB 4.43Å |
| 331 | Q | 71.4 | Confident | 80.8 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 177.3 | 178.2 | 177.7 | 11 | 0 | 0 | 113.1 | Y263 R322 G327 L328 Q329 | Y263-Q331 PolarHBondContact OH-NE2 2.96Å; R322-Q331 WeakPolarHBondContact CD-O 3.14Å; R322-Q331 PolarHBondContact NH1-O 3.29Å; R322-Q331 WeakPolarHBondContact O-CG 3.39Å; G327-Q331 WeakPolarHBondContact O-CB 3.22Å; G327-Q331 PolarHBondContact O-N 3.42Å; L328-Q331 PolarHBondContact O-N 2.92Å; Q329-Q331 PolarHBondContact O-N 3.36Å |
| 332 | F | 70.1 | Confident | 81.1 | Confident | 138 Ų | 138 | 50.6 Ų | 50.6 | 61% | 0.605 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -101.7 | -19.6 | -176.8 | -68.3 | -71.3 | 0 | 0 | 0 | 114 | R322 L328 Q329 L330 N334 | R322-F332 VanDerWaalsContact NH1-C 3.27Å; R322-F332 PolarHBondContact NH1-O 3.23Å; L328-F332 HydrophobicContact CD1-CD2 4.23Å; L328-F332 HydrophobicContact CD1-CE2 3.63Å; L328-F332 HydrophobicContact CG-CD2 4.21Å; L328-F332 HydrophobicContact CG-CE2 4.1Å; L328-F332 VanDerWaalsContact O-CD2 3.23Å; L328-F332 WeakPolarHBondContact O-CD2 3.42Å; L328-F332 PolarHBondContact O-N 3.2Å; Q329-F332 PolarHBondContact O-N 2.97Å; Q329-F332 VanDerWaalsContact O-N 3.14Å; L330-F332 VanDerWaalsContact C-N 3.29Å; L330-F332 PolarHBondContact O-N 2.75Å; F332-N334 PolarHBondContact O-N 2.88Å; F332-N334 PolarHBondContact O-OD1 3.44Å |
| 333 | I | 73.8 | Confident | 81.9 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 23% | 0.231 | 23% | 0.227 | C | C | . | . | trans | -72.3 | 124.6 | 178.7 | -67.7 | 168 | 0 | 0 | 0 | 110.6 | R322 Q329 Y335 P336 N429 | R322-I333 PolarHBondContact NH1-O 3.05Å; Q329-I333 HydrophobicContact CB-CD1 4Å; Q329-I333 WeakPolarHBondContact O-CB 3.48Å; Q329-I333 WeakPolarHBondContact O-CD1 3.42Å; Q329-I333 WeakPolarHBondContact O-CG1 3.4Å; Q329-I333 PolarHBondContact O-N 3.48Å; I333-Y335 HydrophobicContact CB-CE1 4.4Å; I333-Y335 HydrophobicContact CD1-CE1 4.45Å; I333-Y335 HydrophobicContact CG2-CD1 3.08Å; I333-Y335 HydrophobicContact CG2-CD2 4.48Å; I333-Y335 HydrophobicContact CG2-CE1 3Å; I333-Y335 HydrophobicContact CG2-CE2 4.39Å; I333-Y335 HydrophobicContact CG2-CG 3.85Å; I333-P336 HydrophobicContact CG2-CG 4.21Å; I333-P336 WeakPolarHBondContact O-CD 3.47Å; I333-N429 WeakPolarHBondContact CD1-OD1 3.2Å | ||
| 334 | N | 86.7 | Confident | 82.7 | Confident | 93 Ų | 93 | 50.2 Ų | 50.2 | 50% | 0.497 | 24% | 0.238 | S | C | . | . | trans | -85.3 | -26.3 | -176.3 | -64.8 | -22.1 | 0 | 0 | 0 | 114.8 | R322 F332 L337 W338 | R322-N334 PolarHBondContact NH1-OD1 3.2Å; R322-N334 VanDerWaalsContact NH1-OD1 3.11Å; R322-N334 PolarHBondContact NH2-OD1 3.41Å; F332-N334 PolarHBondContact O-N 2.88Å; F332-N334 PolarHBondContact O-OD1 3.44Å; N334-L337 WeakPolarHBondContact O-CB 3.47Å; N334-L337 PolarHBondContact O-N 2.76Å; N334-L337 VanDerWaalsContact O-N 3.15Å; N334-W338 VanDerWaalsContact O-CD1 3.27Å; N334-W338 PolarHBondContact O-N 2.71Å | ||
| 335 | Y | 89.5 | Confident | 84.1 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -33.1 | -172.8 | 73.8 | -109 | 0 | 0 | 0 | 115.3 | I333 L337 W338 I339 I425 | I333-Y335 HydrophobicContact CB-CE1 4.4Å; I333-Y335 HydrophobicContact CD1-CE1 4.45Å; I333-Y335 HydrophobicContact CG2-CD1 3.08Å; I333-Y335 HydrophobicContact CG2-CD2 4.48Å; I333-Y335 HydrophobicContact CG2-CE1 3Å; I333-Y335 HydrophobicContact CG2-CE2 4.39Å; I333-Y335 HydrophobicContact CG2-CG 3.85Å; Y335-L337 VanDerWaalsContact C-N 3.27Å; Y335-L337 PolarHBondContact O-N 3.33Å; Y335-W338 PolarHBondContact O-N 2.9Å; Y335-W338 VanDerWaalsContact O-N 3.13Å; Y335-I339 HydrophobicContact CD2-CD1 3.96Å; Y335-I339 WeakPolarHBondContact O-CG1 3.4Å; Y335-I339 PolarHBondContact O-N 3.46Å; Y335-I425 HydrophobicContact CD2-CD1 4.25Å; Y335-I425 HydrophobicContact CE2-CD1 3.53Å; Y335-I425 HydrophobicContact CE2-CG1 3.81Å; Y335-I425 HydrophobicContact CE2-CG2 4.06Å |
| 336 | P | 92.8 | Very high | 85.3 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 177.8 | -21.4 | 34.2 | 0 | 0 | 0 | 112.2 | L321 L330 I333 L340 L422 I425 | L321-P336 HydrophobicContact CD1-CB 4.13Å; L321-P336 HydrophobicContact CD2-CB 4.29Å; L330-P336 HydrophobicContact CD1-CB 4.5Å; L330-P336 HydrophobicContact CD1-CG 3.88Å; I333-P336 HydrophobicContact CG2-CG 4.21Å; I333-P336 WeakPolarHBondContact O-CD 3.47Å; P336-L340 PolarHBondContact O-N 2.94Å; P336-L340 VanDerWaalsContact O-N 3.15Å; P336-L422 HydrophobicContact CB-CD2 4.21Å; P336-I425 HydrophobicContact CB-CG2 4.34Å; P336-I425 HydrophobicContact CG-CG2 3.77Å |
| 337 | L | 94.1 | Very high | 86.5 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 173.3 | -62.6 | -166.2 | 0 | 0 | 0 | 111.4 | M318 L321 N334 Y335 I339 L340 I341 | M318-L337 HydrophobicContact CB-CD2 4Å; M318-L337 HydrophobicContact CE-CB 4.5Å; M318-L337 HydrophobicContact CE-CD1 4.49Å; M318-L337 HydrophobicContact CG-CD2 4.22Å; L321-L337 HydrophobicContact CB-CD2 4.09Å; L321-L337 HydrophobicContact CD1-CD2 3.89Å; N334-L337 WeakPolarHBondContact O-CB 3.47Å; N334-L337 PolarHBondContact O-N 2.76Å; N334-L337 VanDerWaalsContact O-N 3.15Å; Y335-L337 VanDerWaalsContact C-N 3.27Å; Y335-L337 PolarHBondContact O-N 3.33Å; L337-I339 VanDerWaalsContact C-N 3.33Å; L337-I339 PolarHBondContact O-N 3Å; L337-L340 PolarHBondContact O-N 3.06Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.48Å; L337-I341 PolarHBondContact O-N 2.79Å |
| 338 | W | 96.4 | Very high | 88.1 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.1 | -70.1 | 113.8 | 0 | 0 | 0 | 111.7 | N334 Y335 L340 I341 F342 | N334-W338 VanDerWaalsContact O-CD1 3.27Å; N334-W338 PolarHBondContact O-N 2.71Å; Y335-W338 PolarHBondContact O-N 2.9Å; Y335-W338 VanDerWaalsContact O-N 3.13Å; W338-L340 VanDerWaalsContact C-N 3.31Å; W338-L340 PolarHBondContact O-N 3.08Å; W338-I341 HydrophobicContact CE3-CD1 4.09Å; W338-I341 HydrophobicContact CZ3-CD1 4.33Å; W338-I341 PolarHBondContact O-N 3.44Å; W338-F342 HydrophobicContact CB-CD2 4.4Å; W338-F342 HydrophobicContact CB-CE2 4.17Å; W338-F342 WeakPolarHBondContact O-CD2 3.39Å; W338-F342 WeakPolarHBondContact O-CG 3.35Å; W338-F342 PolarHBondContact O-N 3.19Å |
| 339 | I | 97.3 | Very high | 90 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 173.2 | -68.3 | 169.4 | 0 | 0 | 0 | 110.6 | Y335 L337 F342 F343 V418 I421 L422 I425 | Y335-I339 HydrophobicContact CD2-CD1 3.96Å; Y335-I339 WeakPolarHBondContact O-CG1 3.4Å; Y335-I339 PolarHBondContact O-N 3.46Å; L337-I339 VanDerWaalsContact C-N 3.33Å; L337-I339 PolarHBondContact O-N 3Å; I339-F342 PolarHBondContact O-N 2.98Å; I339-F343 WeakPolarHBondContact O-CB 3.25Å; I339-F343 PolarHBondContact O-N 3Å; I339-V418 HydrophobicContact CG2-CG1 3.86Å; I339-I421 HydrophobicContact CD1-CG2 3.99Å; I339-L422 HydrophobicContact CB-CD2 4.27Å; I339-L422 HydrophobicContact CG2-CD1 4.36Å; I339-L422 HydrophobicContact CG2-CD2 3.96Å; I339-L422 HydrophobicContact CG2-CG 4.06Å; I339-I425 HydrophobicContact CD1-CD1 3.84Å |
| 340 | L | 96.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 179.1 | -171.9 | 61.7 | 0 | 0 | 0 | 112.2 | V198 V314 M317 M318 P336 L337 W338 F343 V344 | V198-L340 HydrophobicContact CG2-CD1 4.24Å; V314-L340 HydrophobicContact CG1-CD2 4.46Å; M317-L340 HydrophobicContact CB-CD2 3.88Å; M317-L340 HydrophobicContact CE-CD1 4.02Å; M317-L340 HydrophobicContact CE-CD2 4.46Å; M318-L340 HydrophobicContact CG-CD2 3.57Å; P336-L340 PolarHBondContact O-N 2.94Å; P336-L340 VanDerWaalsContact O-N 3.15Å; L337-L340 PolarHBondContact O-N 3.06Å; W338-L340 VanDerWaalsContact C-N 3.31Å; W338-L340 PolarHBondContact O-N 3.08Å; L340-F343 HydrophobicContact CD1-CD1 4.33Å; L340-F343 WeakPolarHBondContact O-CB 3.48Å; L340-F343 PolarHBondContact O-N 3.03Å; L340-V344 VanDerWaalsContact O-CG2 3.32Å; L340-V344 WeakPolarHBondContact O-CG2 3.04Å; L340-V344 PolarHBondContact O-N 3.18Å |
| 341 | I | 97.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 61 Ų | 61 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 175.2 | -69.2 | 164.8 | 0 | 0 | 0 | 110.7 | M318 L337 W338 F343 V344 I345 | M318-I341 HydrophobicContact CE-CD1 3.97Å; M318-I341 HydrophobicContact CE-CG1 3.99Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.48Å; L337-I341 PolarHBondContact O-N 2.79Å; W338-I341 HydrophobicContact CE3-CD1 4.09Å; W338-I341 HydrophobicContact CZ3-CD1 4.33Å; W338-I341 PolarHBondContact O-N 3.44Å; I341-F343 VanDerWaalsContact C-N 3.28Å; I341-F343 PolarHBondContact O-N 2.86Å; I341-V344 PolarHBondContact O-N 3.5Å; I341-I345 HydrophobicContact CG2-CD1 4.13Å; I341-I345 WeakPolarHBondContact O-CG1 3.43Å; I341-I345 PolarHBondContact O-N 3.3Å |
| 342 | F | 98.1 | Very high | 94 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -35.9 | 176.6 | -71.3 | -55.2 | 0 | 0 | 0 | 112 | W338 I339 I345 F346 | W338-F342 HydrophobicContact CB-CD2 4.4Å; W338-F342 HydrophobicContact CB-CE2 4.17Å; W338-F342 WeakPolarHBondContact O-CD2 3.39Å; W338-F342 WeakPolarHBondContact O-CG 3.35Å; W338-F342 PolarHBondContact O-N 3.19Å; I339-F342 PolarHBondContact O-N 2.98Å; F342-I345 HydrophobicContact CD1-CD1 4.44Å; F342-I345 PolarHBondContact O-N 3.19Å; F342-F346 WeakPolarHBondContact O-CB 3.37Å; F342-F346 PolarHBondContact O-N 3.47Å |
| 343 | F | 98.2 | Very high | 95.4 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 173.4 | 175.3 | -102 | 0 | 0 | 0 | 112.3 | V198 S202 I339 L340 I341 F346 Q347 C415 V418 | V198-F343 HydrophobicContact CB-CE1 4.35Å; V198-F343 HydrophobicContact CB-CZ 4.47Å; V198-F343 HydrophobicContact CG1-CD1 4.17Å; V198-F343 HydrophobicContact CG1-CD2 4.24Å; V198-F343 HydrophobicContact CG1-CE1 3.82Å; V198-F343 HydrophobicContact CG1-CE2 3.89Å; V198-F343 HydrophobicContact CG1-CG 4.36Å; V198-F343 HydrophobicContact CG1-CZ 3.68Å; V198-F343 HydrophobicContact CG2-CE1 4.47Å; V198-F343 WeakPolarHBondContact O-CZ 3.33Å; S202-F343 WeakPolarHBondContact OG-CZ 3.22Å; I339-F343 WeakPolarHBondContact O-CB 3.25Å; I339-F343 PolarHBondContact O-N 3Å; L340-F343 HydrophobicContact CD1-CD1 4.33Å; L340-F343 WeakPolarHBondContact O-CB 3.48Å; L340-F343 PolarHBondContact O-N 3.03Å; I341-F343 VanDerWaalsContact C-N 3.28Å; I341-F343 PolarHBondContact O-N 2.86Å; F343-F346 HydrophobicContact CD2-CD1 4.47Å; F343-F346 WeakPolarHBondContact O-CB 3.14Å; F343-F346 PolarHBondContact O-N 3.13Å; F343-Q347 WeakPolarHBondContact O-CB 3.34Å; F343-Q347 PolarHBondContact O-N 2.91Å; F343-C415 HydrophobicContact CE2-CB 4.44Å; F343-V418 HydrophobicContact CB-CG1 4.12Å; F343-V418 HydrophobicContact CD2-CB 4.2Å; F343-V418 HydrophobicContact CD2-CG1 4.05Å; F343-V418 HydrophobicContact CD2-CG2 4.15Å; F343-V418 HydrophobicContact CG-CG1 4.15Å |
| 344 | V | 98.1 | Very high | 96.5 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 35% | 0.345 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | V314 L340 I341 Q347 F348 | V314-V344 HydrophobicContact CG1-CG2 3.71Å; V314-V344 HydrophobicContact CG2-CG2 3.94Å; L340-V344 VanDerWaalsContact O-CG2 3.32Å; L340-V344 WeakPolarHBondContact O-CG2 3.04Å; L340-V344 PolarHBondContact O-N 3.18Å; I341-V344 PolarHBondContact O-N 3.5Å; V344-Q347 PolarHBondContact O-N 2.88Å; V344-F348 WeakPolarHBondContact O-CB 3.37Å; V344-F348 PolarHBondContact O-N 3.35Å |
| 345 | I | 98.5 | Very high | 97 | Very high | 90 Ų | 90 | 57.8 Ų | 57.8 | 46% | 0.462 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 174.7 | -65.2 | 167.4 | 0 | 0 | 0 | 110 | I341 F342 Q347 F348 M349 | I341-I345 HydrophobicContact CG2-CD1 4.13Å; I341-I345 WeakPolarHBondContact O-CG1 3.43Å; I341-I345 PolarHBondContact O-N 3.3Å; F342-I345 HydrophobicContact CD1-CD1 4.44Å; F342-I345 PolarHBondContact O-N 3.19Å; I345-Q347 PolarHBondContact O-N 2.81Å; I345-F348 PolarHBondContact O-N 2.75Å; I345-M349 HydrophobicContact CG2-CG 4.31Å; I345-M349 WeakPolarHBondContact O-CB 3.47Å; I345-M349 VanDerWaalsContact O-CG 3.26Å; I345-M349 WeakPolarHBondContact O-CG 3.49Å; I345-M349 PolarHBondContact O-N 2.84Å |
| 346 | F | 98.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 176.2 | 168.9 | -98.7 | 0 | 0 | 0 | 112.1 | F342 F343 F348 M349 I350 H411 V414 | F342-F346 WeakPolarHBondContact O-CB 3.37Å; F342-F346 PolarHBondContact O-N 3.47Å; F343-F346 HydrophobicContact CD2-CD1 4.47Å; F343-F346 WeakPolarHBondContact O-CB 3.14Å; F343-F346 PolarHBondContact O-N 3.13Å; F346-F348 VanDerWaalsContact C-N 3.33Å; F346-F348 PolarHBondContact O-N 3.03Å; F346-M349 PolarHBondContact O-N 2.97Å; F346-I350 HydrophobicContact CD1-CG1 4.47Å; F346-I350 HydrophobicContact CD2-CG1 4.27Å; F346-I350 HydrophobicContact CE1-CG1 4.02Å; F346-I350 HydrophobicContact CE2-CD1 3.97Å; F346-I350 HydrophobicContact CE2-CG1 3.8Å; F346-I350 HydrophobicContact CZ-CD1 3.95Å; F346-I350 HydrophobicContact CZ-CG1 3.66Å; F346-I350 WeakPolarHBondContact O-CG1 3.32Å; F346-I350 PolarHBondContact O-N 3.18Å; F346-H411 AromaticContact CE1-CD2 3.77Å; F346-V414 HydrophobicContact CD1-CB 4.38Å; F346-V414 HydrophobicContact CD1-CG1 3.72Å; F346-V414 HydrophobicContact CD2-CG1 4.35Å; F346-V414 HydrophobicContact CE1-CB 3.64Å; F346-V414 HydrophobicContact CE1-CG1 3.5Å; F346-V414 VanDerWaalsContact CE1-CG1 3.5Å; F346-V414 HydrophobicContact CE1-CG2 4.32Å; F346-V414 HydrophobicContact CE2-CB 4.26Å; F346-V414 HydrophobicContact CE2-CG1 4.16Å; F346-V414 HydrophobicContact CE2-CG2 4.05Å; F346-V414 HydrophobicContact CG-CG1 4.14Å; F346-V414 HydrophobicContact CZ-CB 3.57Å; F346-V414 HydrophobicContact CZ-CG1 3.73Å; F346-V414 HydrophobicContact CZ-CG2 3.73Å |
| 347 | Q | 98 | Very high | 97.7 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 176.6 | 178.1 | 67.4 | 25.6 | 0 | 0 | 110.7 | Y310 F343 V344 I345 M349 I350 E351 H411 | Y310-Q347 HydrophobicContact CE1-CG 4.34Å; Y310-Q347 WeakPolarHBondContact OH-CG 3.41Å; F343-Q347 WeakPolarHBondContact O-CB 3.34Å; F343-Q347 PolarHBondContact O-N 2.91Å; V344-Q347 PolarHBondContact O-N 2.88Å; I345-Q347 PolarHBondContact O-N 2.81Å; Q347-M349 PolarHBondContact O-N 3.38Å; Q347-I350 PolarHBondContact O-N 2.56Å; Q347-E351 PolarHBondContact NE2-OE1 2.74Å; Q347-E351 WeakPolarHBondContact O-CG 3.34Å; Q347-E351 PolarHBondContact O-N 3.33Å; Q347-H411 PolarHBondContact OE1-NE2 2.76Å |
| 348 | F | 97.5 | Very high | 97.7 | Very high | 129 Ų | 129 | 57.5 Ų | 57.5 | 57% | 0.566 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 179.4 | -172.5 | -112.6 | 0 | 0 | 0 | 112.5 | V344 I345 F346 I350 E351 I352 | V344-F348 WeakPolarHBondContact O-CB 3.37Å; V344-F348 PolarHBondContact O-N 3.35Å; I345-F348 PolarHBondContact O-N 2.75Å; F346-F348 VanDerWaalsContact C-N 3.33Å; F346-F348 PolarHBondContact O-N 3.03Å; F348-I350 PolarHBondContact O-N 2.93Å; F348-E351 PolarHBondContact O-N 2.98Å; F348-I352 HydrophobicContact CD1-CD1 3.68Å; F348-I352 HydrophobicContact CE1-CD1 3.25Å; F348-I352 HydrophobicContact CE1-CG1 4.24Å; F348-I352 HydrophobicContact CE2-CD1 4.41Å; F348-I352 HydrophobicContact CG-CD1 4.44Å; F348-I352 HydrophobicContact CZ-CD1 3.67Å; F348-I352 HydrophobicContact CZ-CG1 4.3Å; F348-I352 WeakPolarHBondContact O-CG1 3.39Å; F348-I352 PolarHBondContact O-N 3.47Å |
| 349 | M | 98.5 | Very high | 97.7 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.7 | -71.9 | -61.2 | -66.7 | 0 | 0 | 112.1 | I345 F346 Q347 E351 I352 I353 | I345-M349 HydrophobicContact CG2-CG 4.31Å; I345-M349 WeakPolarHBondContact O-CB 3.47Å; I345-M349 VanDerWaalsContact O-CG 3.26Å; I345-M349 WeakPolarHBondContact O-CG 3.49Å; I345-M349 PolarHBondContact O-N 2.84Å; F346-M349 PolarHBondContact O-N 2.97Å; Q347-M349 PolarHBondContact O-N 3.38Å; M349-E351 VanDerWaalsContact C-N 3.35Å; M349-I352 PolarHBondContact O-N 2.94Å; M349-I353 WeakPolarHBondContact O-CB 3.4Å; M349-I353 WeakPolarHBondContact O-CD1 3.3Å; M349-I353 WeakPolarHBondContact O-CG1 3.27Å; M349-I353 PolarHBondContact O-N 3.38Å |
| 350 | I | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 175.7 | -69.1 | -70.9 | 0 | 0 | 0 | 111 | I206 F346 Q347 F348 I353 L354 I407 H411 | I206-I350 HydrophobicContact CD1-CG2 4.17Å; F346-I350 HydrophobicContact CD1-CG1 4.47Å; F346-I350 HydrophobicContact CD2-CG1 4.27Å; F346-I350 HydrophobicContact CE1-CG1 4.02Å; F346-I350 HydrophobicContact CE2-CD1 3.97Å; F346-I350 HydrophobicContact CE2-CG1 3.8Å; F346-I350 HydrophobicContact CZ-CD1 3.95Å; F346-I350 HydrophobicContact CZ-CG1 3.66Å; F346-I350 WeakPolarHBondContact O-CG1 3.32Å; F346-I350 PolarHBondContact O-N 3.18Å; Q347-I350 PolarHBondContact O-N 2.56Å; F348-I350 PolarHBondContact O-N 2.93Å; I350-I353 PolarHBondContact O-N 3.29Å; I350-L354 HydrophobicContact CG2-CD1 3.82Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CB 3.48Å; I350-L354 VanDerWaalsContact O-CG 3.32Å; I350-L354 WeakPolarHBondContact O-CG 2.9Å; I350-L354 PolarHBondContact O-N 3.36Å; I350-I407 HydrophobicContact CD1-CG2 4.13Å; I350-I407 HydrophobicContact CG2-CG2 4.06Å; I350-H411 HydrophobicContact CG2-CB 4.37Å |
| 351 | E | 97.7 | Very high | 97.6 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 176.1 | -68.4 | -164.1 | -142.5 | 0 | 0 | 111.9 | I206 R209 Y210 Q347 F348 M349 I353 L354 E355 | I206-E351 HydrophobicContact CD1-CG 3.54Å; R209-E351 IonicContact NE-OE2 2.91Å; Y210-E351 HydrophobicContact CE2-CB 4.26Å; Y210-E351 HydrophobicContact CE2-CG 4.03Å; Y210-E351 PolarHBondContact OH-O 3.16Å; Q347-E351 PolarHBondContact NE2-OE1 2.74Å; Q347-E351 WeakPolarHBondContact O-CG 3.34Å; Q347-E351 PolarHBondContact O-N 3.33Å; F348-E351 PolarHBondContact O-N 2.98Å; M349-E351 VanDerWaalsContact C-N 3.35Å; E351-I353 PolarHBondContact O-N 2.86Å; E351-L354 PolarHBondContact O-N 2.89Å; E351-E355 WeakPolarHBondContact O-CB 3.14Å; E351-E355 PolarHBondContact O-N 3.44Å |
| 352 | I | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 32% | 0.323 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 175.5 | -72.9 | 175.3 | 0 | 0 | 0 | 111.3 | F348 M349 L354 E355 I356 | F348-I352 HydrophobicContact CD1-CD1 3.68Å; F348-I352 HydrophobicContact CE1-CD1 3.25Å; F348-I352 HydrophobicContact CE1-CG1 4.24Å; F348-I352 HydrophobicContact CE2-CD1 4.41Å; F348-I352 HydrophobicContact CG-CD1 4.44Å; F348-I352 HydrophobicContact CZ-CD1 3.67Å; F348-I352 HydrophobicContact CZ-CG1 4.3Å; F348-I352 WeakPolarHBondContact O-CG1 3.39Å; F348-I352 PolarHBondContact O-N 3.47Å; M349-I352 PolarHBondContact O-N 2.94Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 3.46Å; I352-E355 PolarHBondContact O-N 3.43Å; I352-I356 HydrophobicContact CG2-CD1 3.59Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CB 3.03Å; I352-I356 VanDerWaalsContact O-CG1 3.31Å; I352-I356 WeakPolarHBondContact O-CG1 2.9Å; I352-I356 PolarHBondContact O-N 3.05Å |
| 353 | I | 98.5 | Very high | 97.3 | Very high | 63 Ų | 63 | 71.3 Ų | 71.3 | 32% | 0.323 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 179.5 | -72.1 | 165 | 0 | 0 | 0 | 110.6 | M349 I350 E351 H357 F403 I407 | M349-I353 WeakPolarHBondContact O-CB 3.4Å; M349-I353 WeakPolarHBondContact O-CD1 3.3Å; M349-I353 WeakPolarHBondContact O-CG1 3.27Å; M349-I353 PolarHBondContact O-N 3.38Å; I350-I353 PolarHBondContact O-N 3.29Å; E351-I353 PolarHBondContact O-N 2.86Å; I353-H357 WeakPolarHBondContact O-CB 3.38Å; I353-H357 PolarHBondContact O-N 2.76Å; I353-F403 HydrophobicContact CG2-CE1 3.87Å; I353-F403 HydrophobicContact CG2-CZ 3.75Å; I353-I407 HydrophobicContact CG2-CD1 4.29Å |
| 354 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 179.5 | -72.8 | 170.7 | 0 | 0 | 0 | 112.7 | I206 Y210 Y211 I350 E351 I352 G358 K404 I407 | I206-L354 HydrophobicContact CD1-CD1 4.31Å; I206-L354 HydrophobicContact CG2-CD1 3.92Å; Y210-L354 HydrophobicContact CD1-CB 3.69Å; Y210-L354 HydrophobicContact CD2-CB 3.88Å; Y210-L354 HydrophobicContact CD2-CD1 3.51Å; Y210-L354 HydrophobicContact CD2-CG 4.33Å; Y210-L354 HydrophobicContact CE1-CB 3.89Å; Y210-L354 HydrophobicContact CE2-CB 4.05Å; Y210-L354 HydrophobicContact CE2-CD1 4.06Å; Y210-L354 HydrophobicContact CG-CB 3.69Å; Y210-L354 HydrophobicContact CG-CD1 3.87Å; Y210-L354 HydrophobicContact CG-CG 4.32Å; Y211-L354 HydrophobicContact CE2-CD1 4.06Å; Y211-L354 HydrophobicContact CE2-CD2 4.38Å; I350-L354 HydrophobicContact CG2-CD1 3.82Å; I350-L354 HydrophobicContact CG2-CG 4.47Å; I350-L354 WeakPolarHBondContact O-CB 3.48Å; I350-L354 VanDerWaalsContact O-CG 3.32Å; I350-L354 WeakPolarHBondContact O-CG 2.9Å; I350-L354 PolarHBondContact O-N 3.36Å; E351-L354 PolarHBondContact O-N 2.89Å; I352-L354 VanDerWaalsContact C-N 3.3Å; I352-L354 PolarHBondContact O-N 3.46Å; L354-G358 PolarHBondContact O-N 3.36Å; L354-K404 HydrophobicContact CD2-CG 4.32Å; L354-I407 HydrophobicContact CD1-CG2 4.04Å; L354-I407 HydrophobicContact CD2-CB 4.28Å; L354-I407 HydrophobicContact CD2-CG2 3.78Å; L354-I407 HydrophobicContact CG-CG2 3.93Å |
| 355 | E | 97.3 | Very high | 97 | Very high | 100 Ų | 100 | 77.8 Ų | 77.8 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -47.9 | 175 | -167.7 | 61.9 | -137.9 | 0 | 0 | 111.1 | Y210 E351 I352 H357 G358 C359 | Y210-E355 HydrophobicContact CE1-CB 4.36Å; Y210-E355 WeakPolarHBondContact CE1-OE2 3.27Å; E351-E355 WeakPolarHBondContact O-CB 3.14Å; E351-E355 PolarHBondContact O-N 3.44Å; I352-E355 PolarHBondContact O-N 3.43Å; E355-H357 PolarHBondContact O-N 3.27Å; E355-G358 WeakPolarHBondContact O-CA 3.24Å; E355-G358 PolarHBondContact O-N 3.44Å; E355-G358 VanDerWaalsContact O-N 3.11Å; E355-C359 PolarHBondContact O-N 2.91Å; E355-C359 PolarHBondContact O-SG 2.85Å |
| 356 | I | 98 | Very high | 96.9 | Very high | 85 Ų | 85 | 77.6 Ų | 77.6 | 44% | 0.436 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 175.5 | -69.6 | 172.4 | 0 | 0 | 0 | 110.6 | I352 G358 C359 F360 | I352-I356 HydrophobicContact CG2-CD1 3.59Å; I352-I356 HydrophobicContact CG2-CG1 4.28Å; I352-I356 WeakPolarHBondContact O-CB 3.03Å; I352-I356 VanDerWaalsContact O-CG1 3.31Å; I352-I356 WeakPolarHBondContact O-CG1 2.9Å; I352-I356 PolarHBondContact O-N 3.05Å; I356-G358 VanDerWaalsContact C-N 3.28Å; I356-G358 PolarHBondContact O-N 2.93Å; I356-C359 WeakPolarHBondContact O-CB 3.01Å; I356-C359 PolarHBondContact O-N 3.13Å; I356-C359 VanDerWaalsContact O-N 3.13Å; I356-F360 HydrophobicContact CG2-CD2 3.7Å; I356-F360 HydrophobicContact CG2-CE2 3.34Å; I356-F360 HydrophobicContact CG2-CZ 4.41Å; I356-F360 VanDerWaalsContact O-CD2 3.24Å; I356-F360 WeakPolarHBondContact O-CD2 3.44Å; I356-F360 PolarHBondContact O-N 3.27Å |
| 357 | H | 97.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 78.8 Ų | 78.8 | 7% | 0.074 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.6 | 174.4 | -79 | 0 | 0 | 0 | 111.6 | I353 E355 C359 F360 Y361 G400 F403 | I353-H357 WeakPolarHBondContact O-CB 3.38Å; I353-H357 PolarHBondContact O-N 2.76Å; E355-H357 PolarHBondContact O-N 3.27Å; H357-C359 VanDerWaalsContact C-N 3.31Å; H357-C359 PolarHBondContact O-N 3.49Å; H357-F360 PolarHBondContact O-N 2.85Å; H357-Y361 AromaticContact CD2-CD2 3.81Å; H357-Y361 AromaticContact CD2-CE2 3.63Å; H357-Y361 AromaticContact CE1-CD2 3.52Å; H357-Y361 AromaticContact CE1-CE2 3.89Å; H357-Y361 AromaticContact NE2-CD2 3.39Å; H357-Y361 WeakPolarHBondContact NE2-CD2 3.49Å; H357-Y361 AromaticContact NE2-CE2 3.26Å; H357-Y361 VanDerWaalsContact NE2-CE2 3.26Å; H357-Y361 WeakPolarHBondContact NE2-CE2 3.37Å; H357-Y361 WeakPolarHBondContact O-CD2 3.13Å; H357-Y361 PolarHBondContact O-N 3.07Å; H357-G400 WeakPolarHBondContact NE2-CA 3.21Å; H357-G400 PolarHBondContact NE2-O 2.65Å; H357-F403 HydrophobicContact CB-CD1 4.41Å; H357-F403 HydrophobicContact CB-CE1 4.18Å; H357-F403 AromaticContact CD2-CD1 3.17Å; H357-F403 WeakPolarHBondContact CD2-CD1 2.99Å; H357-F403 AromaticContact CD2-CE1 3.72Å; H357-F403 AromaticContact CD2-CG 3.94Å; H357-F403 AromaticContact CG-CD1 3.83Å; H357-F403 AromaticContact NE2-CD1 3.66Å |
| 358 | G | 94.9 | Very high | 96.6 | Very high | 29 Ų | 29 | 81.9 Ų | 81.9 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.4 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L354 E355 I356 Y361 Y362 | L354-G358 PolarHBondContact O-N 3.36Å; E355-G358 WeakPolarHBondContact O-CA 3.24Å; E355-G358 PolarHBondContact O-N 3.44Å; E355-G358 VanDerWaalsContact O-N 3.11Å; I356-G358 VanDerWaalsContact C-N 3.28Å; I356-G358 PolarHBondContact O-N 2.93Å; G358-Y361 PolarHBondContact O-N 2.8Å; G358-Y362 WeakPolarHBondContact O-CB 3.17Å; G358-Y362 PolarHBondContact O-N 2.67Å |
| 359 | C | 96.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 81 Ų | 81 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.9 | -46.6 | 177.4 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | E355 I356 H357 Y361 Y362 | E355-C359 PolarHBondContact O-N 2.91Å; E355-C359 PolarHBondContact O-SG 2.85Å; I356-C359 WeakPolarHBondContact O-CB 3.01Å; I356-C359 PolarHBondContact O-N 3.13Å; I356-C359 VanDerWaalsContact O-N 3.13Å; H357-C359 VanDerWaalsContact C-N 3.31Å; H357-C359 PolarHBondContact O-N 3.49Å; C359-Y361 VanDerWaalsContact C-N 3.32Å; C359-Y361 PolarHBondContact O-N 2.86Å; C359-Y362 WeakPolarHBondContact O-CB 3.37Å; C359-Y362 PolarHBondContact O-N 2.81Å |
| 360 | F | 96.1 | Very high | 96.3 | Very high | 163 Ų | 163 | 83.9 Ų | 83.9 | 72% | 0.715 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.4 | -39.9 | 179.8 | -80.4 | -62 | 0 | 0 | 0 | 113.2 | I356 H357 | I356-F360 HydrophobicContact CG2-CD2 3.7Å; I356-F360 HydrophobicContact CG2-CE2 3.34Å; I356-F360 HydrophobicContact CG2-CZ 4.41Å; I356-F360 VanDerWaalsContact O-CD2 3.24Å; I356-F360 WeakPolarHBondContact O-CD2 3.44Å; I356-F360 PolarHBondContact O-N 3.27Å; H357-F360 PolarHBondContact O-N 2.85Å |
| 361 | Y | 94.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 87.1 Ų | 87.1 | 31% | 0.31 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -94.5 | 0.7 | -178.9 | -69.5 | -76.6 | 0 | 0 | 0 | 114.2 | H357 G358 C359 R363 R364 N365 S399 | H357-Y361 AromaticContact CD2-CD2 3.81Å; H357-Y361 AromaticContact CD2-CE2 3.63Å; H357-Y361 AromaticContact CE1-CD2 3.52Å; H357-Y361 AromaticContact CE1-CE2 3.89Å; H357-Y361 AromaticContact NE2-CD2 3.39Å; H357-Y361 WeakPolarHBondContact NE2-CD2 3.49Å; H357-Y361 AromaticContact NE2-CE2 3.26Å; H357-Y361 VanDerWaalsContact NE2-CE2 3.26Å; H357-Y361 WeakPolarHBondContact NE2-CE2 3.37Å; H357-Y361 WeakPolarHBondContact O-CD2 3.13Å; H357-Y361 PolarHBondContact O-N 3.07Å; G358-Y361 PolarHBondContact O-N 2.8Å; C359-Y361 VanDerWaalsContact C-N 3.32Å; C359-Y361 PolarHBondContact O-N 2.86Å; Y361-R363 PolarHBondContact O-N 2.8Å; Y361-R364 PolarHBondContact O-N 2.94Å; Y361-N365 WeakPolarHBondContact O-CB 3.47Å; Y361-N365 PolarHBondContact O-N 2.82Å; Y361-S399 VanDerWaalsContact CD1-CB 3.41Å |
| 362 | Y | 94.6 | Very high | 96.1 | Very high | 143 Ų | 143 | 86.4 Ų | 86.4 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.3 | -54.5 | -175.3 | 177 | -101.4 | 0 | 0 | 0 | 112.3 | G358 C359 R364 N365 K366 | G358-Y362 WeakPolarHBondContact O-CB 3.17Å; G358-Y362 PolarHBondContact O-N 2.67Å; C359-Y362 WeakPolarHBondContact O-CB 3.37Å; C359-Y362 PolarHBondContact O-N 2.81Å; Y362-R364 PolarHBondContact O-N 3.3Å; Y362-N365 PolarHBondContact O-N 2.78Å; Y362-K366 HydrophobicContact CE1-CD 3.88Å; Y362-K366 WeakPolarHBondContact O-CB 3.44Å; Y362-K366 PolarHBondContact O-N 3.19Å; Y362-K366 PolarHBondContact OH-NZ 2.88Å; Y362-K366 VanDerWaalsContact OH-NZ 3.14Å |
| 363 | R | 95.3 | Very high | 95.9 | Very high | 199 Ų | 199 | 86.5 Ų | 86.5 | 75% | 0.751 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | -177.8 | -173.8 | 176.7 | 179.7 | -179.2 | -0.6 | 112.1 | Y361 N367 | Y361-R363 PolarHBondContact O-N 2.8Å; R363-N367 WeakPolarHBondContact O-CB 3.27Å; R363-N367 VanDerWaalsContact O-CG 3.27Å; R363-N367 PolarHBondContact O-N 2.82Å; R363-N367 PolarHBondContact O-OD1 2.85Å |
| 364 | R | 95.7 | Very high | 95.8 | Very high | 156 Ų | 156 | 88.6 Ų | 88.6 | 59% | 0.589 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | -178.7 | -171.1 | 170.1 | -179 | 176 | -0.8 | 111.7 | Y361 Y362 N367 K368 S399 | Y361-R364 PolarHBondContact O-N 2.94Å; Y362-R364 PolarHBondContact O-N 3.3Å; R364-N367 PolarHBondContact O-N 2.9Å; R364-K368 PolarHBondContact O-N 3.11Å; R364-S399 VanDerWaalsContact CD-OG 3.24Å; R364-S399 WeakPolarHBondContact CD-OG 3.47Å; R364-S399 PolarHBondContact NE-OG 2.87Å; R364-S399 VanDerWaalsContact NE-OG 3.1Å |
| 365 | N | 95.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 92.5 Ų | 92.5 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -70 | -37.7 | 178.2 | -69.7 | -18.1 | 0 | 0 | 0 | 111.7 | Y361 Y362 N367 K368 R369 S399 | Y361-N365 WeakPolarHBondContact O-CB 3.47Å; Y361-N365 PolarHBondContact O-N 2.82Å; Y362-N365 PolarHBondContact O-N 2.78Å; N365-N367 VanDerWaalsContact C-N 3.34Å; N365-N367 PolarHBondContact O-N 3.17Å; N365-K368 PolarHBondContact O-N 3.32Å; N365-R369 WeakPolarHBondContact O-CB 2.98Å; N365-R369 PolarHBondContact O-N 3.23Å; N365-S399 WeakPolarHBondContact OD1-CB 3.35Å; N365-S399 PolarHBondContact OD1-N 3.49Å |
| 366 | K | 94.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 88.4 Ų | 88.4 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.6 | -42 | 172.7 | -173.2 | 174.1 | -173.1 | 169.9 | 0 | 112.1 | Y362 R369 R370 | Y362-K366 HydrophobicContact CE1-CD 3.88Å; Y362-K366 WeakPolarHBondContact O-CB 3.44Å; Y362-K366 PolarHBondContact O-N 3.19Å; Y362-K366 PolarHBondContact OH-NZ 2.88Å; Y362-K366 VanDerWaalsContact OH-NZ 3.14Å; K366-R369 PolarHBondContact O-N 3.45Å; K366-R370 WeakPolarHBondContact O-CG 3.43Å; K366-R370 PolarHBondContact O-N 2.77Å |
| 367 | N | 96.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 88.5 Ų | 88.5 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.5 | -47.5 | 176.6 | -73.8 | -3.4 | 0 | 0 | 0 | 111.8 | R363 R364 N365 R369 R370 T371 | R363-N367 WeakPolarHBondContact O-CB 3.27Å; R363-N367 VanDerWaalsContact O-CG 3.27Å; R363-N367 PolarHBondContact O-N 2.82Å; R363-N367 PolarHBondContact O-OD1 2.85Å; R364-N367 PolarHBondContact O-N 2.9Å; N365-N367 VanDerWaalsContact C-N 3.34Å; N365-N367 PolarHBondContact O-N 3.17Å; N367-R369 VanDerWaalsContact C-N 3.25Å; N367-R369 PolarHBondContact O-N 3.15Å; N367-R370 WeakPolarHBondContact O-CB 3.24Å; N367-R370 PolarHBondContact O-N 2.85Å; N367-R370 VanDerWaalsContact O-N 3.11Å; N367-T371 PolarHBondContact O-N 2.02Å; N367-T371 PolarHBondContact O-OG1 3Å |
| 368 | K | 95.1 | Very high | 94.8 | Very high | 70 Ų | 70 | 94.2 Ų | 94.2 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.1 | -43.3 | 173.4 | -76.1 | 178.6 | 165.6 | -176.9 | 0 | 112 | R364 N365 T371 Y372 P396 E397 S399 | R364-K368 PolarHBondContact O-N 3.11Å; N365-K368 PolarHBondContact O-N 3.32Å; K368-T371 PolarHBondContact O-N 3.36Å; K368-Y372 WeakPolarHBondContact O-CB 3.36Å; K368-Y372 PolarHBondContact O-N 2.03Å; K368-P396 HydrophobicContact CB-CB 4.25Å; K368-P396 HydrophobicContact CB-CG 4.16Å; K368-E397 PolarHBondContact NZ-O 2.84Å; K368-S399 PolarHBondContact NZ-OG 3.36Å |
| 369 | R | 93.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 95.1 Ų | 95.1 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.7 | -174.1 | 56.9 | 171.4 | -121.3 | 13.2 | 112.4 | N365 K366 N367 Y372 V373 E395 | N365-R369 WeakPolarHBondContact O-CB 2.98Å; N365-R369 PolarHBondContact O-N 3.23Å; K366-R369 PolarHBondContact O-N 3.45Å; N367-R369 VanDerWaalsContact C-N 3.25Å; N367-R369 PolarHBondContact O-N 3.15Å; R369-Y372 PolarHBondContact O-N 2.87Å; R369-V373 WeakPolarHBondContact O-CG2 3.39Å; R369-V373 PolarHBondContact O-N 3.32Å; R369-E395 IonicContact CZ-OE1 2.82Å; R369-E395 IonicContact NH1-OE1 2.84Å; R369-E395 PolarHBondContact NH1-OE1 2.92Å; R369-E395 IonicContact NH2-OE1 3.92Å |
| 370 | R | 96.3 | Very high | 94.2 | Very high | 154 Ų | 154 | 95.3 Ų | 95.3 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 174.7 | -75.8 | 175.1 | 173.2 | 178.8 | -6.1 | 111.7 | K366 N367 Y372 V373 L374 | K366-R370 WeakPolarHBondContact O-CG 3.43Å; K366-R370 PolarHBondContact O-N 2.77Å; N367-R370 WeakPolarHBondContact O-CB 3.24Å; N367-R370 PolarHBondContact O-N 2.85Å; N367-R370 VanDerWaalsContact O-N 3.11Å; R370-Y372 VanDerWaalsContact C-N 3.34Å; R370-Y372 PolarHBondContact O-N 2.91Å; R370-V373 PolarHBondContact O-N 2.82Å; R370-L374 WeakPolarHBondContact O-CG 3.17Å; R370-L374 PolarHBondContact O-N 2.9Å; R370-L374 VanDerWaalsContact O-N 3.17Å |
| 371 | T | 95.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 89.9 Ų | 89.9 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | N367 K368 V373 L374 E375 | N367-T371 PolarHBondContact O-N 2.02Å; N367-T371 PolarHBondContact O-OG1 3Å; K368-T371 PolarHBondContact O-N 3.36Å; T371-V373 PolarHBondContact O-N 2.89Å; T371-L374 WeakPolarHBondContact O-CB 3.02Å; T371-L374 PolarHBondContact O-N 2.95Å; T371-E375 WeakPolarHBondContact O-CG 3.46Å; T371-E375 PolarHBondContact O-N 2.88Å |
| 372 | Y | 95.2 | Very high | 93.5 | Very high | 21 Ų | 21 | 87.8 Ų | 87.8 | 8% | 0.082 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 177.3 | 173.9 | -110.2 | 0 | 0 | 0 | 113.8 | K368 R369 R370 L374 E375 I376 P393 P394 E395 P396 | K368-Y372 WeakPolarHBondContact O-CB 3.36Å; K368-Y372 PolarHBondContact O-N 2.03Å; R369-Y372 PolarHBondContact O-N 2.87Å; R370-Y372 VanDerWaalsContact C-N 3.34Å; R370-Y372 PolarHBondContact O-N 2.91Å; Y372-L374 VanDerWaalsContact C-N 3.33Å; Y372-L374 PolarHBondContact O-N 2.72Å; Y372-E375 PolarHBondContact O-N 2.79Å; Y372-I376 HydrophobicContact CD1-CG1 4.4Å; Y372-I376 HydrophobicContact CD2-CG1 4.09Å; Y372-I376 HydrophobicContact CE1-CG1 3.89Å; Y372-I376 HydrophobicContact CE2-CD1 3.9Å; Y372-I376 HydrophobicContact CE2-CG1 3.54Å; Y372-I376 HydrophobicContact CG-CG1 4.49Å; Y372-I376 VanDerWaalsContact CZ-CG1 3.43Å; Y372-I376 WeakPolarHBondContact O-CB 3.48Å; Y372-I376 WeakPolarHBondContact O-CG1 3.1Å; Y372-I376 PolarHBondContact O-N 2.78Å; Y372-P393 HydrophobicContact CE2-CB 4.39Å; Y372-P393 WeakPolarHBondContact CE2-O 3.4Å; Y372-P394 WeakPolarHBondContact CE2-O 3.31Å; Y372-E395 HydrophobicContact CD1-CG 4.45Å; Y372-E395 HydrophobicContact CE1-CB 4.13Å; Y372-E395 HydrophobicContact CE1-CG 4.13Å; Y372-E395 HydrophobicContact CE2-CB 4.21Å; Y372-P396 VanDerWaalsContact CG-CD 3.44Å; Y372-P396 HydrophobicContact CG-CG 4.27Å |
| 373 | V | 94.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 86.9 Ų | 86.9 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.5 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | R369 R370 T371 I376 D377 | R369-V373 WeakPolarHBondContact O-CG2 3.39Å; R369-V373 PolarHBondContact O-N 3.32Å; R370-V373 PolarHBondContact O-N 2.82Å; T371-V373 PolarHBondContact O-N 2.89Å; V373-I376 PolarHBondContact O-N 2.87Å; V373-D377 VanDerWaalsContact O-CG 3.29Å; V373-D377 PolarHBondContact O-N 2.84Å |
| 374 | L | 95.2 | Very high | 92.7 | Very high | 108 Ų | 108 | 87 Ų | 87 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.9 | -65.5 | 169.8 | 0 | 0 | 0 | 112.3 | R370 T371 Y372 I376 D377 Q378 | R370-L374 WeakPolarHBondContact O-CG 3.17Å; R370-L374 PolarHBondContact O-N 2.9Å; R370-L374 VanDerWaalsContact O-N 3.17Å; T371-L374 WeakPolarHBondContact O-CB 3.02Å; T371-L374 PolarHBondContact O-N 2.95Å; Y372-L374 VanDerWaalsContact C-N 3.33Å; Y372-L374 PolarHBondContact O-N 2.72Å; L374-I376 VanDerWaalsContact C-N 3.32Å; L374-I376 PolarHBondContact O-N 2.8Å; L374-D377 PolarHBondContact O-N 2.82Å; L374-Q378 WeakPolarHBondContact O-CG 3.38Å; L374-Q378 PolarHBondContact O-N 2.89Å |
| 375 | E | 93.1 | Very high | 92.2 | Very high | 82 Ų | 82 | 85.5 Ų | 85.5 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.8 | -72.5 | 172.6 | -171.1 | 0 | 0 | 112 | T371 Y372 Y379 P393 | T371-E375 WeakPolarHBondContact O-CG 3.46Å; T371-E375 PolarHBondContact O-N 2.88Å; Y372-E375 PolarHBondContact O-N 2.79Å; E375-Y379 WeakPolarHBondContact O-CB 3.28Å; E375-Y379 PolarHBondContact O-N 3.49Å; E375-P393 HydrophobicContact CB-CG 4.37Å |
| 376 | I | 93.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 90.8 Ų | 90.8 | 8% | 0.077 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.4 | -76.9 | -71.1 | 0 | 0 | 0 | 111.5 | Y372 V373 L374 Q378 Y379 Q380 R392 | Y372-I376 HydrophobicContact CD1-CG1 4.4Å; Y372-I376 HydrophobicContact CD2-CG1 4.09Å; Y372-I376 HydrophobicContact CE1-CG1 3.89Å; Y372-I376 HydrophobicContact CE2-CD1 3.9Å; Y372-I376 HydrophobicContact CE2-CG1 3.54Å; Y372-I376 HydrophobicContact CG-CG1 4.49Å; Y372-I376 VanDerWaalsContact CZ-CG1 3.43Å; Y372-I376 WeakPolarHBondContact O-CB 3.48Å; Y372-I376 WeakPolarHBondContact O-CG1 3.1Å; Y372-I376 PolarHBondContact O-N 2.78Å; V373-I376 PolarHBondContact O-N 2.87Å; L374-I376 VanDerWaalsContact C-N 3.32Å; L374-I376 PolarHBondContact O-N 2.8Å; I376-Q378 VanDerWaalsContact C-N 3.34Å; I376-Y379 PolarHBondContact O-N 2.94Å; I376-Q380 HydrophobicContact CG2-CG 4.44Å; I376-Q380 WeakPolarHBondContact O-CB 3.36Å; I376-Q380 VanDerWaalsContact O-CG 3.29Å; I376-Q380 WeakPolarHBondContact O-CG 3.26Å; I376-Q380 PolarHBondContact O-N 2.94Å; I376-R392 HydrophobicContact CD1-CG 3.92Å |
| 377 | D | 92.6 | Very high | 90.1 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 178.1 | -69.8 | -18.5 | 0 | 0 | 0 | 110.9 | V373 L374 Q380 A381 | V373-D377 VanDerWaalsContact O-CG 3.29Å; V373-D377 PolarHBondContact O-N 2.84Å; L374-D377 PolarHBondContact O-N 2.82Å; D377-Q380 PolarHBondContact O-N 2.86Å; D377-A381 WeakPolarHBondContact O-CB 3.25Å; D377-A381 PolarHBondContact O-N 2.92Å |
| 378 | Q | 90.5 | Very high | 88.6 | Confident | 137 Ų | 137 | 90.9 Ų | 90.9 | 64% | 0.64 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 173.2 | -72.1 | 175.4 | -5.2 | 0 | 0 | 112.2 | L374 I376 Q380 A381 A382 | L374-Q378 WeakPolarHBondContact O-CG 3.38Å; L374-Q378 PolarHBondContact O-N 2.89Å; I376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-Q380 VanDerWaalsContact C-N 3.32Å; Q378-Q380 PolarHBondContact O-N 2.87Å; Q378-A381 PolarHBondContact O-N 2.87Å; Q378-A382 WeakPolarHBondContact O-CB 3.15Å; Q378-A382 PolarHBondContact O-N 3.39Å |
| 379 | Y | 90 | Very high | 87.5 | Confident | 47 Ų | 47 | 99.5 Ų | 99.5 | 18% | 0.184 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 174.9 | 168.3 | -99 | 0 | 0 | 0 | 111.6 | E375 I376 A382 K383 Q390 R392 | E375-Y379 WeakPolarHBondContact O-CB 3.28Å; E375-Y379 PolarHBondContact O-N 3.49Å; I376-Y379 PolarHBondContact O-N 2.94Å; Y379-A382 PolarHBondContact O-N 2.79Å; Y379-K383 HydrophobicContact CE1-CD 4.36Å; Y379-K383 WeakPolarHBondContact O-CB 3.27Å; Y379-K383 PolarHBondContact O-N 3.3Å; Y379-Q390 WeakPolarHBondContact CE2-O 3.26Å; Y379-R392 HydrophobicContact CD1-CG 4.31Å; Y379-R392 HydrophobicContact CE1-CB 4.04Å; Y379-R392 HydrophobicContact CE1-CG 4.03Å; Y379-R392 HydrophobicContact CE2-CB 4.38Å |
| 380 | Q | 89.8 | Confident | 86.6 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 177.4 | -72.9 | -178.7 | 15.8 | 0 | 0 | 112.1 | I376 D377 Q378 K383 R384 | I376-Q380 HydrophobicContact CG2-CG 4.44Å; I376-Q380 WeakPolarHBondContact O-CB 3.36Å; I376-Q380 VanDerWaalsContact O-CG 3.29Å; I376-Q380 WeakPolarHBondContact O-CG 3.26Å; I376-Q380 PolarHBondContact O-N 2.94Å; D377-Q380 PolarHBondContact O-N 2.86Å; Q378-Q380 VanDerWaalsContact C-N 3.32Å; Q378-Q380 PolarHBondContact O-N 2.87Å; Q380-K383 PolarHBondContact O-N 3.31Å; Q380-R384 WeakPolarHBondContact O-CG 3.19Å; Q380-R384 PolarHBondContact O-N 2.76Å |
| 381 | A | 89.6 | Confident | 86 | Confident | 50 Ų | 50 | 99.6 Ų | 99.6 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D377 Q378 K383 R384 L385 | D377-A381 WeakPolarHBondContact O-CB 3.25Å; D377-A381 PolarHBondContact O-N 2.92Å; Q378-A381 PolarHBondContact O-N 2.87Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.63Å; A381-R384 PolarHBondContact O-N 2.93Å; A381-L385 PolarHBondContact O-N 3.11Å |
| 382 | A | 87.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 103.7 Ų | 103.7 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q378 Y379 L385 N387 A388 | Q378-A382 WeakPolarHBondContact O-CB 3.15Å; Q378-A382 PolarHBondContact O-N 3.39Å; Y379-A382 PolarHBondContact O-N 2.79Å; A382-L385 PolarHBondContact O-N 3.28Å; A382-N387 PolarHBondContact O-N 2.77Å; A382-A388 HydrophobicContact CB-CB 4.5Å; A382-A388 PolarHBondContact O-N 3.49Å |
| 383 | K | 86.3 | Confident | 85.4 | Confident | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.1 | -171 | 175.9 | -178.7 | 177.1 | 0 | 112.3 | Y379 Q380 A381 L385 N386 A388 | Y379-K383 HydrophobicContact CE1-CD 4.36Å; Y379-K383 WeakPolarHBondContact O-CB 3.27Å; Y379-K383 PolarHBondContact O-N 3.3Å; Q380-K383 PolarHBondContact O-N 3.31Å; A381-K383 VanDerWaalsContact C-N 3.31Å; A381-K383 PolarHBondContact O-N 2.63Å; K383-L385 VanDerWaalsContact C-N 3.28Å; K383-L385 PolarHBondContact O-N 3.47Å; K383-N386 PolarHBondContact O-N 2.73Å; K383-A388 HydrophobicContact CB-CB 3.84Å; K383-A388 HydrophobicContact CG-CB 4.3Å |
| 384 | R | 86.2 | Confident | 85.3 | Confident | 203 Ų | 203 | 105.4 Ų | 105.4 | 77% | 0.766 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.6 | -31.1 | 174.6 | -72.1 | 174.1 | -174.3 | -177.8 | 3.8 | 112.7 | Q380 A381 N386 | Q380-R384 WeakPolarHBondContact O-CG 3.19Å; Q380-R384 PolarHBondContact O-N 2.76Å; A381-R384 PolarHBondContact O-N 2.93Å; R384-N386 PolarHBondContact O-N 3Å |
| 385 | L | 85.7 | Confident | 85.2 | Confident | 123 Ų | 123 | 101.1 Ų | 101.1 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10.7 | 177.1 | -67.7 | 168.6 | 0 | 0 | 0 | 113.6 | A381 A382 K383 N387 | A381-L385 PolarHBondContact O-N 3.11Å; A382-L385 PolarHBondContact O-N 3.28Å; K383-L385 VanDerWaalsContact C-N 3.28Å; K383-L385 PolarHBondContact O-N 3.47Å; L385-N387 PolarHBondContact O-N 2.84Å |
| 386 | N | 75.3 | Confident | 85.3 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 84% | 0.84 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 15.8 | -172.4 | -88.3 | -10.8 | 0 | 0 | 0 | 115 | K383 R384 | K383-N386 PolarHBondContact O-N 2.73Å; R384-N386 PolarHBondContact O-N 3Å |
| 387 | N | 70.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 66% | 0.663 | 51% | 0.514 | S | S | * | . | trans | -90.3 | -8.7 | -179.8 | -78.4 | -15.9 | 0 | 0 | 0 | 113.1 | A382 L385 R389 | A382-N387 PolarHBondContact O-N 2.77Å; L385-N387 PolarHBondContact O-N 2.84Å; N387-R389 PolarHBondContact O-N 3.49Å | ||
| 388 | A | 64.2 | Low | 85.3 | Confident | 37 Ų | 37 | 100.2 Ų | 100.2 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | trans | -78.6 | 90.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A382 K383 Q390 | A382-A388 HydrophobicContact CB-CB 4.5Å; A382-A388 PolarHBondContact O-N 3.49Å; K383-A388 HydrophobicContact CB-CB 3.84Å; K383-A388 HydrophobicContact CG-CB 4.3Å; A388-Q390 VanDerWaalsContact C-N 3.35Å | ||
| 389 | R | 71.3 | Confident | 85.5 | Confident | 250 Ų | 250 | 94.3 Ų | 94.3 | 94% | 0.943 | 47% | 0.471 | S | S | * | . | trans | -84.6 | -10.7 | 159.4 | -66.4 | -175.5 | -178.8 | -174.9 | 0.4 | 113.1 | N387 | N387-R389 PolarHBondContact O-N 3.49Š| ||
| 390 | Q | 74.8 | Confident | 85.7 | Confident | 157 Ų | 157 | 92.9 Ų | 92.9 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -84.9 | 146 | -174 | -70.7 | -177 | -16.3 | 0 | 0 | 112.3 | Y379 A388 | Y379-Q390 WeakPolarHBondContact CE2-O 3.26Å; A388-Q390 VanDerWaalsContact C-N 3.35Å |
| 391 | P | 84 | Confident | 85.9 | Confident | 112 Ų | 112 | 90.4 Ų | 90.4 | 73% | 0.727 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 155.4 | 172.4 | 29.1 | -34.4 | 0 | 0 | 0 | 110.7 | ||
| 392 | R | 88 | Confident | 86.2 | Confident | 159 Ų | 159 | 95 Ų | 95 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 131.7 | 174.4 | -178 | -178.3 | 178.2 | -178.6 | -0.4 | 109.5 | I376 Y379 | I376-R392 HydrophobicContact CD1-CG 3.92Å; Y379-R392 HydrophobicContact CD1-CG 4.31Å; Y379-R392 HydrophobicContact CE1-CB 4.04Å; Y379-R392 HydrophobicContact CE1-CG 4.03Å; Y379-R392 HydrophobicContact CE2-CB 4.38Å |
| 393 | P | 90.2 | Very high | 86.6 | Confident | 28 Ų | 28 | 97.3 Ų | 97.3 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 134.2 | 175.4 | -25.6 | 33.3 | 0 | 0 | 0 | 112 | Y372 E375 | Y372-P393 HydrophobicContact CE2-CB 4.39Å; Y372-P393 WeakPolarHBondContact CE2-O 3.4Å; E375-P393 HydrophobicContact CB-CG 4.37Å |
| 394 | P | 93.1 | Very high | 87.1 | Confident | 93 Ų | 93 | 92.7 Ų | 92.7 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 147.1 | 175.6 | 29.1 | -33.7 | 0 | 0 | 0 | 111 | Y372 | Y372-P394 WeakPolarHBondContact CE2-O 3.31Š|
| 395 | E | 93.4 | Very high | 87.6 | Confident | 18 Ų | 18 | 86.3 Ų | 86.3 | 8% | 0.084 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 132.9 | 176 | 178.3 | 175.2 | -167.9 | 0 | 0 | 109.2 | P216 N217 R224 R369 Y372 | P216-E395 HydrophobicContact CB-CB 3.82Å; P216-E395 HydrophobicContact CB-CG 3.64Å; N217-E395 PolarHBondContact ND2-O 2.89Å; N217-E395 PolarHBondContact OD1-N 2.79Å; R224-E395 IonicContact CZ-OE2 3.73Å; R224-E395 IonicContact NH1-OE2 3.44Å; R224-E395 IonicContact NH2-OE1 3.59Å; R224-E395 IonicContact NH2-OE2 3.49Å; R224-E395 PolarHBondContact NH2-OE2 2.9Å; R369-E395 IonicContact CZ-OE1 2.82Å; R369-E395 IonicContact NH1-OE1 2.84Å; R369-E395 PolarHBondContact NH1-OE1 2.92Å; R369-E395 IonicContact NH2-OE1 3.92Å; Y372-E395 HydrophobicContact CD1-CG 4.45Å; Y372-E395 HydrophobicContact CE1-CB 4.13Å; Y372-E395 HydrophobicContact CE1-CG 4.13Å; Y372-E395 HydrophobicContact CE2-CB 4.21Å |
| 396 | P | 94.4 | Very high | 88.2 | Confident | 45 Ų | 45 | 86.6 Ų | 86.6 | 29% | 0.292 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 139.9 | -167.7 | 26.4 | -36.8 | 0 | 0 | 0 | 111.8 | K368 Y372 | K368-P396 HydrophobicContact CB-CB 4.25Å; K368-P396 HydrophobicContact CB-CG 4.16Å; Y372-P396 VanDerWaalsContact CG-CD 3.44Å; Y372-P396 HydrophobicContact CG-CG 4.27Å |
| 397 | E | 93.7 | Very high | 89.3 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -69 | 136.8 | 176 | -55.6 | -161.8 | 157.2 | 0 | 0 | 111.4 | K368 R401 | K368-E397 PolarHBondContact NZ-O 2.84Å; E397-R401 IonicContact OE1-CZ 3.83Å; E397-R401 IonicContact OE1-NH1 3.34Å; E397-R401 PolarHBondContact OE1-NH1 3.06Å; E397-R401 IonicContact OE2-CZ 3.82Å; E397-R401 IonicContact OE2-NH1 3.03Å; E397-R401 PolarHBondContact OE2-NH1 2.77Å |
| 398 | P | 94.2 | Very high | 90.6 | Very high | 17 Ų | 17 | 74.8 Ų | 74.8 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 142.8 | -178.9 | 28.4 | -35.2 | 0 | 0 | 0 | 110.6 | D213 R401 | D213-P398 VanDerWaalsContact O-CD 3.23Å; D213-P398 WeakPolarHBondContact O-CD 3.23Å; D213-P398 VanDerWaalsContact O-CG 3.3Å; D213-P398 WeakPolarHBondContact O-CG 3.45Å; P398-R401 HydrophobicContact CG-CB 4.2Å; P398-R401 HydrophobicContact CG-CG 4.26Å; P398-R401 WeakPolarHBondContact O-CB 3.31Å |
| 399 | S | 94.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 9% | 0.091 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 145 | 166 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | Y361 R364 N365 K368 R401 | Y361-S399 VanDerWaalsContact CD1-CB 3.41Å; R364-S399 VanDerWaalsContact CD-OG 3.24Å; R364-S399 WeakPolarHBondContact CD-OG 3.47Å; R364-S399 PolarHBondContact NE-OG 2.87Å; R364-S399 VanDerWaalsContact NE-OG 3.1Å; N365-S399 WeakPolarHBondContact OD1-CB 3.35Å; N365-S399 PolarHBondContact OD1-N 3.49Å; K368-S399 PolarHBondContact NZ-OG 3.36Å; S399-R401 VanDerWaalsContact C-N 3.32Å |
| 400 | G | 93.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 66 Ų | 66 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H357 M402 F403 K404 | H357-G400 WeakPolarHBondContact NE2-CA 3.21Å; H357-G400 PolarHBondContact NE2-O 2.65Å; G400-M402 VanDerWaalsContact C-N 3.35Å; G400-M402 PolarHBondContact O-N 2.96Å; G400-F403 PolarHBondContact O-N 2.7Å; G400-K404 PolarHBondContact O-N 2.8Å |
| 401 | R | 94.6 | Very high | 94.6 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 13% | 0.132 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.5 | -42.4 | -176.8 | -167.6 | -175.4 | -176.9 | -165.7 | 8.4 | 114 | V214 E397 P398 S399 F403 K404 Y405 | V214-R401 HydrophobicContact CG1-CG 4.11Å; V214-R401 PolarHBondContact O-NE 2.93Å; V214-R401 PolarHBondContact O-NH2 3.3Å; E397-R401 IonicContact OE1-CZ 3.83Å; E397-R401 IonicContact OE1-NH1 3.34Å; E397-R401 PolarHBondContact OE1-NH1 3.06Å; E397-R401 IonicContact OE2-CZ 3.82Å; E397-R401 IonicContact OE2-NH1 3.03Å; E397-R401 PolarHBondContact OE2-NH1 2.77Å; P398-R401 HydrophobicContact CG-CB 4.2Å; P398-R401 HydrophobicContact CG-CG 4.26Å; P398-R401 WeakPolarHBondContact O-CB 3.31Å; S399-R401 VanDerWaalsContact C-N 3.32Å; R401-F403 VanDerWaalsContact C-N 3.29Å; R401-F403 PolarHBondContact O-N 3.2Å; R401-K404 WeakPolarHBondContact O-CB 3.35Å; R401-K404 PolarHBondContact O-N 3.21Å; R401-K404 VanDerWaalsContact O-N 3.11Å; R401-Y405 HydrophobicContact CG-CD2 4.24Å; R401-Y405 HydrophobicContact CG-CE2 3.77Å; R401-Y405 PolarHBondContact NE-OH 2.99Å; R401-Y405 PolarHBondContact NH2-OH 3.02Å; R401-Y405 PolarHBondContact O-N 3.05Å |
| 402 | M | 94.9 | Very high | 95.3 | Very high | 146 Ų | 146 | 54.6 Ų | 54.6 | 72% | 0.719 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.4 | -38.6 | -179.5 | -66 | -53.3 | -65.4 | 0 | 0 | 112.4 | G400 Y405 F406 | G400-M402 VanDerWaalsContact C-N 3.35Å; G400-M402 PolarHBondContact O-N 2.96Å; M402-Y405 PolarHBondContact O-N 3.32Å; M402-Y405 HydrophobicContact SD-CD2 4Å; M402-Y405 HydrophobicContact SD-CE2 4.46Å; M402-F406 PolarHBondContact O-N 2.88Å; M402-F406 VanDerWaalsContact O-N 3.08Å |
| 403 | F | 96.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 37% | 0.373 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 174.3 | -179.6 | -99 | 0 | 0 | 0 | 111.2 | I353 H357 G400 R401 Y405 F406 I407 | I353-F403 HydrophobicContact CG2-CE1 3.87Å; I353-F403 HydrophobicContact CG2-CZ 3.75Å; H357-F403 HydrophobicContact CB-CD1 4.41Å; H357-F403 HydrophobicContact CB-CE1 4.18Å; H357-F403 AromaticContact CD2-CD1 3.17Å; H357-F403 WeakPolarHBondContact CD2-CD1 2.99Å; H357-F403 AromaticContact CD2-CE1 3.72Å; H357-F403 AromaticContact CD2-CG 3.94Å; H357-F403 AromaticContact CG-CD1 3.83Å; H357-F403 AromaticContact NE2-CD1 3.66Å; G400-F403 PolarHBondContact O-N 2.7Å; R401-F403 VanDerWaalsContact C-N 3.29Å; R401-F403 PolarHBondContact O-N 3.2Å; F403-Y405 VanDerWaalsContact C-N 3.28Å; F403-Y405 PolarHBondContact O-N 3.2Å; F403-F406 WeakPolarHBondContact O-CB 3.38Å; F403-F406 PolarHBondContact O-N 3.04Å; F403-I407 HydrophobicContact CD1-CG1 3.97Å; F403-I407 HydrophobicContact CE1-CD1 4.13Å; F403-I407 HydrophobicContact CE1-CG1 3.57Å; F403-I407 HydrophobicContact CE2-CD1 4.17Å; F403-I407 HydrophobicContact CE2-CG1 4.17Å; F403-I407 HydrophobicContact CG-CG1 4.46Å; F403-I407 HydrophobicContact CZ-CD1 3.74Å; F403-I407 HydrophobicContact CZ-CG1 3.69Å; F403-I407 WeakPolarHBondContact O-CG1 3.22Å; F403-I407 PolarHBondContact O-N 3.1Å |
| 404 | K | 96.7 | Very high | 96.2 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 174.5 | -73.1 | -168.4 | 171.4 | -172.8 | 0 | 112.5 | Y210 Y211 V214 L354 G400 R401 I407 I408 | Y210-K404 PolarHBondContact O-NZ 3.03Å; Y211-K404 HydrophobicContact CE1-CB 3.82Å; Y211-K404 VanDerWaalsContact CE1-O 3.28Å; Y211-K404 WeakPolarHBondContact CE1-O 3.37Å; Y211-K404 PolarHBondContact OH-O 3.37Å; V214-K404 HydrophobicContact CG2-CB 4.39Å; V214-K404 HydrophobicContact CG2-CD 3.71Å; L354-K404 HydrophobicContact CD2-CG 4.32Å; G400-K404 PolarHBondContact O-N 2.8Å; R401-K404 WeakPolarHBondContact O-CB 3.35Å; R401-K404 PolarHBondContact O-N 3.21Å; R401-K404 VanDerWaalsContact O-N 3.11Å; K404-I407 PolarHBondContact O-N 2.87Å; K404-I408 WeakPolarHBondContact O-CG2 3.36Å; K404-I408 PolarHBondContact O-N 3.2Å |
| 405 | Y | 97 | Very high | 96.5 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.9 | -72.8 | -40.4 | 0 | 0 | 0 | 113.1 | V214 W215 R401 M402 F403 I407 I408 G409 | V214-Y405 HydrophobicContact CG1-CD1 4.08Å; V214-Y405 HydrophobicContact CG1-CE1 3.38Å; W215-Y405 AromaticContact CE2-CE1 3.65Å; W215-Y405 HydrophobicContact CZ2-CD1 4.29Å; W215-Y405 AromaticContact CZ2-CE1 3.64Å; W215-Y405 HydrophobicContact CZ2-CE1 3.64Å; W215-Y405 AromaticContact NE1-CE1 3.48Å; W215-Y405 AromaticContact NE1-CZ 3.73Å; W215-Y405 PolarHBondContact NE1-OH 2.9Å; R401-Y405 HydrophobicContact CG-CD2 4.24Å; R401-Y405 HydrophobicContact CG-CE2 3.77Å; R401-Y405 PolarHBondContact NE-OH 2.99Å; R401-Y405 PolarHBondContact NH2-OH 3.02Å; R401-Y405 PolarHBondContact O-N 3.05Å; M402-Y405 PolarHBondContact O-N 3.32Å; M402-Y405 HydrophobicContact SD-CD2 4Å; M402-Y405 HydrophobicContact SD-CE2 4.46Å; F403-Y405 VanDerWaalsContact C-N 3.28Å; F403-Y405 PolarHBondContact O-N 3.2Å; Y405-I407 VanDerWaalsContact C-N 3.34Å; Y405-I407 PolarHBondContact O-N 2.8Å; Y405-I408 VanDerWaalsContact O-CG2 3.31Å; Y405-I408 WeakPolarHBondContact O-CG2 3.37Å; Y405-G409 PolarHBondContact O-N 3.23Å; Y405-G409 VanDerWaalsContact O-N 3.08Å |
| 406 | F | 97.9 | Very high | 96.7 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.7 | -47.1 | 173.8 | 173.5 | -102 | 0 | 0 | 0 | 111.4 | M402 F403 I408 G409 L410 | M402-F406 PolarHBondContact O-N 2.88Å; M402-F406 VanDerWaalsContact O-N 3.08Å; F403-F406 WeakPolarHBondContact O-CB 3.38Å; F403-F406 PolarHBondContact O-N 3.04Å; F406-I408 PolarHBondContact O-N 3.02Å; F406-G409 PolarHBondContact O-N 2.84Å; F406-L410 HydrophobicContact CE1-CD2 4.39Å; F406-L410 WeakPolarHBondContact O-CB 3.38Å; F406-L410 PolarHBondContact O-N 2.9Å |
| 407 | I | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | -178.1 | -65.8 | -63 | 0 | 0 | 0 | 112.8 | I350 I353 L354 F403 K404 Y405 G409 L410 H411 | I350-I407 HydrophobicContact CD1-CG2 4.13Å; I350-I407 HydrophobicContact CG2-CG2 4.06Å; I353-I407 HydrophobicContact CG2-CD1 4.29Å; L354-I407 HydrophobicContact CD1-CG2 4.04Å; L354-I407 HydrophobicContact CD2-CB 4.28Å; L354-I407 HydrophobicContact CD2-CG2 3.78Å; L354-I407 HydrophobicContact CG-CG2 3.93Å; F403-I407 HydrophobicContact CD1-CG1 3.97Å; F403-I407 HydrophobicContact CE1-CD1 4.13Å; F403-I407 HydrophobicContact CE1-CG1 3.57Å; F403-I407 HydrophobicContact CE2-CD1 4.17Å; F403-I407 HydrophobicContact CE2-CG1 4.17Å; F403-I407 HydrophobicContact CG-CG1 4.46Å; F403-I407 HydrophobicContact CZ-CD1 3.74Å; F403-I407 HydrophobicContact CZ-CG1 3.69Å; F403-I407 WeakPolarHBondContact O-CG1 3.22Å; F403-I407 PolarHBondContact O-N 3.1Å; K404-I407 PolarHBondContact O-N 2.87Å; Y405-I407 VanDerWaalsContact C-N 3.34Å; Y405-I407 PolarHBondContact O-N 2.8Å; I407-G409 VanDerWaalsContact C-N 3.34Å; I407-L410 PolarHBondContact O-N 2.97Å; I407-H411 WeakPolarHBondContact O-CB 3.5Å; I407-H411 PolarHBondContact O-N 2.76Å |
| 408 | I | 97.7 | Very high | 97.2 | Very high | 25 Ų | 25 | 46.1 Ų | 46.1 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69 | -35.3 | 177.2 | -169.2 | 63.1 | 0 | 0 | 0 | 111.6 | I203 I206 L207 Y211 K404 Y405 F406 A412 | I203-I408 HydrophobicContact CG2-CD1 4.38Å; I206-I408 HydrophobicContact CG2-CD1 3.95Å; L207-I408 HydrophobicContact CD2-CD1 4.15Å; L207-I408 HydrophobicContact CD2-CG1 4.34Å; L207-I408 HydrophobicContact CG-CD1 4.4Å; Y211-I408 HydrophobicContact CD1-CB 4.49Å; Y211-I408 HydrophobicContact CE1-CB 3.61Å; Y211-I408 HydrophobicContact CE1-CG1 4.31Å; Y211-I408 HydrophobicContact CE1-CG2 3.74Å; Y211-I408 HydrophobicContact CE2-CB 4.38Å; Y211-I408 HydrophobicContact CE2-CD1 4.34Å; Y211-I408 WeakPolarHBondContact OH-CB 3.34Å; Y211-I408 PolarHBondContact OH-N 3.38Å; K404-I408 WeakPolarHBondContact O-CG2 3.36Å; K404-I408 PolarHBondContact O-N 3.2Å; Y405-I408 VanDerWaalsContact O-CG2 3.31Å; Y405-I408 WeakPolarHBondContact O-CG2 3.37Å; F406-I408 PolarHBondContact O-N 3.02Å; I408-A412 WeakPolarHBondContact O-CB 3.43Å; I408-A412 PolarHBondContact O-N 3.25Å |
| 409 | G | 97.7 | Very high | 97.4 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 36% | 0.361 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y405 F406 I407 T413 | Y405-G409 PolarHBondContact O-N 3.23Å; Y405-G409 VanDerWaalsContact O-N 3.08Å; F406-G409 PolarHBondContact O-N 2.84Å; I407-G409 VanDerWaalsContact C-N 3.34Å; G409-T413 VanDerWaalsContact O-CB 3.29Å; G409-T413 WeakPolarHBondContact O-CB 3.33Å; G409-T413 PolarHBondContact O-N 2.82Å; G409-T413 PolarHBondContact O-OG1 3Å |
| 410 | L | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 175.4 | 177.4 | 64.7 | 0 | 0 | 0 | 111.3 | F406 I407 T413 V414 | F406-L410 HydrophobicContact CE1-CD2 4.39Å; F406-L410 WeakPolarHBondContact O-CB 3.38Å; F406-L410 PolarHBondContact O-N 2.9Å; I407-L410 PolarHBondContact O-N 2.97Å; L410-T413 PolarHBondContact O-N 3.15Å; L410-V414 HydrophobicContact CD1-CG2 4.14Å; L410-V414 WeakPolarHBondContact O-CG2 3.37Å; L410-V414 PolarHBondContact O-N 3.32Å |
| 411 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -50.6 | -179.3 | 176.8 | -96 | 0 | 0 | 0 | 112 | F346 Q347 I350 I407 T413 V414 C415 | F346-H411 AromaticContact CE1-CD2 3.77Å; Q347-H411 PolarHBondContact OE1-NE2 2.76Å; I350-H411 HydrophobicContact CG2-CB 4.37Å; I407-H411 WeakPolarHBondContact O-CB 3.5Å; I407-H411 PolarHBondContact O-N 2.76Å; H411-T413 VanDerWaalsContact C-N 3.32Å; H411-T413 PolarHBondContact O-N 3.33Å; H411-V414 PolarHBondContact O-N 3.28Å; H411-C415 PolarHBondContact CE1-SG 3.38Å; H411-C415 PolarHBondContact NE2-SG 2.94Å; H411-C415 WeakPolarHBondContact O-CB 3.45Å; H411-C415 PolarHBondContact O-N 2.76Å; H411-C415 PolarHBondContact O-SG 3.49Å |
| 412 | A | 98.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I203 I408 C415 A416 | I203-A412 HydrophobicContact CD1-CB 3.83Å; I203-A412 HydrophobicContact CG1-CB 4.36Å; I408-A412 WeakPolarHBondContact O-CB 3.43Å; I408-A412 PolarHBondContact O-N 3.25Å; A412-C415 PolarHBondContact O-N 3.06Å; A412-A416 WeakPolarHBondContact O-CB 3.32Å; A412-A416 PolarHBondContact O-N 3.44Å |
| 413 | T | 98.6 | Very high | 98.1 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | G409 L410 H411 A416 I417 | G409-T413 VanDerWaalsContact O-CB 3.29Å; G409-T413 WeakPolarHBondContact O-CB 3.33Å; G409-T413 PolarHBondContact O-N 2.82Å; G409-T413 PolarHBondContact O-OG1 3Å; L410-T413 PolarHBondContact O-N 3.15Å; H411-T413 VanDerWaalsContact C-N 3.32Å; H411-T413 PolarHBondContact O-N 3.33Å; T413-A416 PolarHBondContact O-N 2.9Å; T413-I417 HydrophobicContact CG2-CD1 3.85Å; T413-I417 WeakPolarHBondContact O-CG1 3.24Å; T413-I417 PolarHBondContact O-N 2.74Å |
| 414 | V | 98.6 | Very high | 98 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | F346 L410 H411 A416 I417 V418 | F346-V414 HydrophobicContact CD1-CB 4.38Å; F346-V414 HydrophobicContact CD1-CG1 3.72Å; F346-V414 HydrophobicContact CD2-CG1 4.35Å; F346-V414 HydrophobicContact CE1-CB 3.64Å; F346-V414 HydrophobicContact CE1-CG1 3.5Å; F346-V414 VanDerWaalsContact CE1-CG1 3.5Å; F346-V414 HydrophobicContact CE1-CG2 4.32Å; F346-V414 HydrophobicContact CE2-CB 4.26Å; F346-V414 HydrophobicContact CE2-CG1 4.16Å; F346-V414 HydrophobicContact CE2-CG2 4.05Å; F346-V414 HydrophobicContact CG-CG1 4.14Å; F346-V414 HydrophobicContact CZ-CB 3.57Å; F346-V414 HydrophobicContact CZ-CG1 3.73Å; F346-V414 HydrophobicContact CZ-CG2 3.73Å; L410-V414 HydrophobicContact CD1-CG2 4.14Å; L410-V414 WeakPolarHBondContact O-CG2 3.37Å; L410-V414 PolarHBondContact O-N 3.32Å; H411-V414 PolarHBondContact O-N 3.28Å; V414-A416 VanDerWaalsContact C-N 3.3Å; V414-A416 PolarHBondContact O-N 2.91Å; V414-I417 PolarHBondContact O-N 3.27Å; V414-V418 HydrophobicContact CG1-CG2 4.18Å; V414-V418 WeakPolarHBondContact O-CB 3.33Å; V414-V418 VanDerWaalsContact O-CG2 3.32Å; V414-V418 WeakPolarHBondContact O-CG2 3.19Å; V414-V418 PolarHBondContact O-N 3.3Å |
| 415 | C | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -44.2 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | L199 I203 F343 H411 A412 A419 | L199-C415 HydrophobicContact CD1-CB 4.08Å; I203-C415 HydrophobicContact CD1-CB 4.29Å; I203-C415 HydrophobicContact CG1-CB 4.27Å; F343-C415 HydrophobicContact CE2-CB 4.44Å; H411-C415 PolarHBondContact CE1-SG 3.38Å; H411-C415 PolarHBondContact NE2-SG 2.94Å; H411-C415 WeakPolarHBondContact O-CB 3.45Å; H411-C415 PolarHBondContact O-N 2.76Å; H411-C415 PolarHBondContact O-SG 3.49Å; A412-C415 PolarHBondContact O-N 3.06Å; C415-A419 WeakPolarHBondContact O-CB 3.12Å; C415-A419 PolarHBondContact O-N 3.3Å |
| 416 | A | 98.7 | Very high | 97.5 | Very high | 38 Ų | 38 | 41.2 Ų | 41.2 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L199 A412 T413 V414 A419 V420 | L199-A416 HydrophobicContact CD1-CB 4.17Å; A412-A416 WeakPolarHBondContact O-CB 3.32Å; A412-A416 PolarHBondContact O-N 3.44Å; T413-A416 PolarHBondContact O-N 2.9Å; V414-A416 VanDerWaalsContact C-N 3.3Å; V414-A416 PolarHBondContact O-N 2.91Å; A416-A419 PolarHBondContact O-N 2.93Å; A416-V420 WeakPolarHBondContact O-CB 3.17Å; A416-V420 VanDerWaalsContact O-CG2 3.27Å; A416-V420 WeakPolarHBondContact O-CG2 3.34Å; A416-V420 PolarHBondContact O-N 3.06Å |
| 417 | I | 98.6 | Very high | 97 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 48% | 0.477 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -49.1 | 178.5 | -70.2 | 169.2 | 0 | 0 | 0 | 110.6 | T413 V414 A419 V420 I421 | T413-I417 HydrophobicContact CG2-CD1 3.85Å; T413-I417 WeakPolarHBondContact O-CG1 3.24Å; T413-I417 PolarHBondContact O-N 2.74Å; V414-I417 PolarHBondContact O-N 3.27Å; I417-A419 PolarHBondContact O-N 2.91Å; I417-V420 PolarHBondContact O-N 2.92Å; I417-I421 HydrophobicContact CG2-CD1 3.63Å; I417-I421 HydrophobicContact CG2-CG1 4.39Å; I417-I421 WeakPolarHBondContact O-CB 3.42Å; I417-I421 VanDerWaalsContact O-CG1 3.28Å; I417-I421 WeakPolarHBondContact O-CG1 3.37Å; I417-I421 PolarHBondContact O-N 2.79Å |
| 418 | V | 98.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 179.8 | 173 | 0 | 0 | 0 | 0 | 110.9 | V198 I339 F343 V414 I421 L422 | V198-V418 HydrophobicContact CG1-CB 4.36Å; V198-V418 HydrophobicContact CG1-CG1 3.94Å; I339-V418 HydrophobicContact CG2-CG1 3.86Å; F343-V418 HydrophobicContact CB-CG1 4.12Å; F343-V418 HydrophobicContact CD2-CB 4.2Å; F343-V418 HydrophobicContact CD2-CG1 4.05Å; F343-V418 HydrophobicContact CD2-CG2 4.15Å; F343-V418 HydrophobicContact CG-CG1 4.15Å; V414-V418 HydrophobicContact CG1-CG2 4.18Å; V414-V418 WeakPolarHBondContact O-CB 3.33Å; V414-V418 VanDerWaalsContact O-CG2 3.32Å; V414-V418 WeakPolarHBondContact O-CG2 3.19Å; V414-V418 PolarHBondContact O-N 3.3Å; V418-I421 PolarHBondContact O-N 2.87Å; V418-L422 HydrophobicContact CG1-CD1 3.9Å; V418-L422 HydrophobicContact CG1-CG 4.39Å; V418-L422 WeakPolarHBondContact O-CB 3.4Å; V418-L422 WeakPolarHBondContact O-CG 3.31Å; V418-L422 PolarHBondContact O-N 3.44Å |
| 419 | A | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V194 L195 V198 L199 C415 A416 I417 L422 V423 | V194-A419 HydrophobicContact CG1-CB 4.02Å; L195-A419 HydrophobicContact CD2-CB 4.4Å; V198-A419 HydrophobicContact CG1-CB 4.26Å; L199-A419 HydrophobicContact CB-CB 4.03Å; C415-A419 WeakPolarHBondContact O-CB 3.12Å; C415-A419 PolarHBondContact O-N 3.3Å; A416-A419 PolarHBondContact O-N 2.93Å; I417-A419 PolarHBondContact O-N 2.91Å; A419-L422 PolarHBondContact O-N 3.11Å; A419-V423 WeakPolarHBondContact O-CB 3.37Å; A419-V423 WeakPolarHBondContact O-CG2 2.9Å; A419-V423 PolarHBondContact O-N 3.05Å |
| 420 | V | 98.5 | Very high | 94.8 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.5 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | A416 I417 L422 V423 I424 | A416-V420 WeakPolarHBondContact O-CB 3.17Å; A416-V420 VanDerWaalsContact O-CG2 3.27Å; A416-V420 WeakPolarHBondContact O-CG2 3.34Å; A416-V420 PolarHBondContact O-N 3.06Å; I417-V420 PolarHBondContact O-N 2.92Å; V420-L422 PolarHBondContact O-N 3.44Å; V420-V423 PolarHBondContact O-N 2.75Å; V420-I424 HydrophobicContact CG1-CD1 3.73Å; V420-I424 HydrophobicContact CG1-CG1 4.42Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.38Å; V420-I424 PolarHBondContact O-N 2.85Å |
| 421 | I | 98.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 41.8 Ų | 41.8 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -50.5 | 178.1 | -72.4 | 170.7 | 0 | 0 | 0 | 110.3 | I339 I417 V418 V423 I424 I425 | I339-I421 HydrophobicContact CD1-CG2 3.99Å; I417-I421 HydrophobicContact CG2-CD1 3.63Å; I417-I421 HydrophobicContact CG2-CG1 4.39Å; I417-I421 WeakPolarHBondContact O-CB 3.42Å; I417-I421 VanDerWaalsContact O-CG1 3.28Å; I417-I421 WeakPolarHBondContact O-CG1 3.37Å; I417-I421 PolarHBondContact O-N 2.79Å; V418-I421 PolarHBondContact O-N 2.87Å; I421-V423 PolarHBondContact O-N 2.83Å; I421-I424 PolarHBondContact O-N 3.26Å; I421-I425 HydrophobicContact CG2-CD1 3.5Å; I421-I425 VanDerWaalsContact CG2-CD1 3.5Å; I421-I425 HydrophobicContact CG2-CG1 4.4Å; I421-I425 WeakPolarHBondContact O-CB 3.39Å; I421-I425 VanDerWaalsContact O-CD1 3.28Å; I421-I425 WeakPolarHBondContact O-CD1 3.21Å; I421-I425 WeakPolarHBondContact O-CG1 3.36Å; I421-I425 PolarHBondContact O-N 2.96Å |
| 422 | L | 97.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 178.7 | -73.4 | 175.7 | 0 | 0 | 0 | 112.4 | V194 V198 P336 I339 V418 A419 V420 I425 I426 | V194-L422 HydrophobicContact CG1-CB 3.86Å; V194-L422 HydrophobicContact CG1-CD1 4.21Å; V194-L422 HydrophobicContact CG2-CB 4.25Å; V198-L422 HydrophobicContact CG2-CD1 4.48Å; P336-L422 HydrophobicContact CB-CD2 4.21Å; I339-L422 HydrophobicContact CB-CD2 4.27Å; I339-L422 HydrophobicContact CG2-CD1 4.36Å; I339-L422 HydrophobicContact CG2-CD2 3.96Å; I339-L422 HydrophobicContact CG2-CG 4.06Å; V418-L422 HydrophobicContact CG1-CD1 3.9Å; V418-L422 HydrophobicContact CG1-CG 4.39Å; V418-L422 WeakPolarHBondContact O-CB 3.4Å; V418-L422 WeakPolarHBondContact O-CG 3.31Å; V418-L422 PolarHBondContact O-N 3.44Å; A419-L422 PolarHBondContact O-N 3.11Å; V420-L422 PolarHBondContact O-N 3.44Å; L422-I425 HydrophobicContact CD2-CD1 4.34Å; L422-I425 PolarHBondContact O-N 3.42Å; L422-I426 WeakPolarHBondContact O-CB 3.26Å; L422-I426 WeakPolarHBondContact O-CD1 3.35Å; L422-I426 WeakPolarHBondContact O-CG1 3.36Å; L422-I426 PolarHBondContact O-N 3.26Å |
| 423 | V | 97.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.1 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | C191 V194 L195 A419 V420 I421 I425 I426 A427 | C191-V423 HydrophobicContact CB-CG1 4.19Å; C191-V423 HydrophobicContact CB-CG2 4.05Å; V194-V423 HydrophobicContact CB-CG2 4.39Å; V194-V423 HydrophobicContact CG1-CG2 4.2Å; L195-V423 HydrophobicContact CD2-CG2 4.3Å; L195-V423 HydrophobicContact CG-CG2 4.14Å; A419-V423 WeakPolarHBondContact O-CB 3.37Å; A419-V423 WeakPolarHBondContact O-CG2 2.9Å; A419-V423 PolarHBondContact O-N 3.05Å; V420-V423 PolarHBondContact O-N 2.75Å; I421-V423 PolarHBondContact O-N 2.83Å; V423-I425 VanDerWaalsContact C-N 3.35Å; V423-I426 PolarHBondContact O-N 2.61Å; V423-A427 VanDerWaalsContact O-CB 3.26Å; V423-A427 WeakPolarHBondContact O-CB 3.21Å; V423-A427 PolarHBondContact O-N 2.72Å |
| 424 | I | 94.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 48% | 0.482 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 176.7 | -69.4 | 167.1 | 0 | 0 | 0 | 110.2 | V420 I421 I426 A427 V428 | V420-I424 HydrophobicContact CG1-CD1 3.73Å; V420-I424 HydrophobicContact CG1-CG1 4.42Å; V420-I424 VanDerWaalsContact O-CG1 3.29Å; V420-I424 WeakPolarHBondContact O-CG1 3.38Å; V420-I424 PolarHBondContact O-N 2.85Å; I421-I424 PolarHBondContact O-N 3.26Å; I424-I426 PolarHBondContact O-N 2.89Å; I424-A427 PolarHBondContact O-N 3.44Å; I424-V428 HydrophobicContact CG2-CG2 4.11Å; I424-V428 WeakPolarHBondContact O-CB 3.19Å; I424-V428 VanDerWaalsContact O-CG2 3.23Å; I424-V428 WeakPolarHBondContact O-CG2 3.42Å; I424-V428 PolarHBondContact O-N 2.83Å |
| 425 | I | 91.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.8 | -49.8 | 178.2 | -70 | 157.8 | 0 | 0 | 0 | 110.9 | L330 Y335 P336 I339 I421 L422 V423 A427 N429 | L330-I425 HydrophobicContact CD1-CG2 3.53Å; Y335-I425 HydrophobicContact CD2-CD1 4.25Å; Y335-I425 HydrophobicContact CE2-CD1 3.53Å; Y335-I425 HydrophobicContact CE2-CG1 3.81Å; Y335-I425 HydrophobicContact CE2-CG2 4.06Å; P336-I425 HydrophobicContact CB-CG2 4.34Å; P336-I425 HydrophobicContact CG-CG2 3.77Å; I339-I425 HydrophobicContact CD1-CD1 3.84Å; I421-I425 HydrophobicContact CG2-CD1 3.5Å; I421-I425 VanDerWaalsContact CG2-CD1 3.5Å; I421-I425 HydrophobicContact CG2-CG1 4.4Å; I421-I425 WeakPolarHBondContact O-CB 3.39Å; I421-I425 VanDerWaalsContact O-CD1 3.28Å; I421-I425 WeakPolarHBondContact O-CD1 3.21Å; I421-I425 WeakPolarHBondContact O-CG1 3.36Å; I421-I425 PolarHBondContact O-N 2.96Å; L422-I425 HydrophobicContact CD2-CD1 4.34Å; L422-I425 PolarHBondContact O-N 3.42Å; V423-I425 VanDerWaalsContact C-N 3.35Å; I425-A427 VanDerWaalsContact C-N 3.35Å; I425-N429 WeakPolarHBondContact O-CB 3.31Å; I425-N429 PolarHBondContact O-N 2.82Å; I425-N429 VanDerWaalsContact O-N 3.12Å; I425-N429 PolarHBondContact O-ND2 3.19Å |
| 426 | I | 91.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -179.9 | -66.4 | 163.2 | 0 | 0 | 0 | 110.9 | K187 V194 L321 L330 L422 V423 I424 | K187-I426 HydrophobicContact CB-CG2 4.04Å; K187-I426 WeakPolarHBondContact CD-O 2.99Å; K187-I426 HydrophobicContact CG-CG2 4.3Å; K187-I426 WeakPolarHBondContact O-CG2 3.44Å; V194-I426 HydrophobicContact CG2-CD1 3.81Å; L321-I426 HydrophobicContact CD2-CD1 3.97Å; L321-I426 HydrophobicContact CD2-CG1 3.86Å; L330-I426 HydrophobicContact CD2-CG1 4.07Å; L422-I426 WeakPolarHBondContact O-CB 3.26Å; L422-I426 WeakPolarHBondContact O-CD1 3.35Å; L422-I426 WeakPolarHBondContact O-CG1 3.36Å; L422-I426 PolarHBondContact O-N 3.26Å; V423-I426 PolarHBondContact O-N 2.61Å; I424-I426 PolarHBondContact O-N 2.89Å |
| 427 | A | 88.2 | Confident | 92.8 | Very high | 57 Ų | 57 | 47 Ų | 47 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K187 V423 I424 I425 | K187-A427 PolarHBondContact NZ-O 3.27Å; V423-A427 VanDerWaalsContact O-CB 3.26Å; V423-A427 WeakPolarHBondContact O-CB 3.21Å; V423-A427 PolarHBondContact O-N 2.72Å; I424-A427 PolarHBondContact O-N 3.44Å; I425-A427 VanDerWaalsContact C-N 3.35Å |
| 428 | V | 82.6 | Confident | 92.3 | Very high | 108 Ų | 108 | 43.2 Ų | 43.2 | 66% | 0.655 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -76.8 | -41.4 | -174.2 | 171.9 | 0 | 0 | 0 | 0 | 112.9 | I424 | I424-V428 HydrophobicContact CG2-CG2 4.11Å; I424-V428 WeakPolarHBondContact O-CB 3.19Å; I424-V428 VanDerWaalsContact O-CG2 3.23Å; I424-V428 WeakPolarHBondContact O-CG2 3.42Å; I424-V428 PolarHBondContact O-N 2.83Å |
| 429 | N | 70.4 | Confident | 91.8 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | -87.1 | 0 | -174.2 | -67.9 | -88.7 | 0 | 0 | 0 | 111.9 | K187 Q329 L330 I333 I425 | K187-N429 WeakPolarHBondContact CE-O 3.41Å; K187-N429 PolarHBondContact NZ-O 2.93Å; K187-N429 PolarHBondContact NZ-OXT 2.97Å; Q329-N429 HydrophobicContact CB-CB 4.17Å; Q329-N429 PolarHBondContact OE1-OD1 3.26Å; L330-N429 HydrophobicContact CB-CB 4.08Å; L330-N429 HydrophobicContact CD1-CB 4.43Å; I333-N429 WeakPolarHBondContact CD1-OD1 3.2Å; I425-N429 WeakPolarHBondContact O-CB 3.31Å; I425-N429 PolarHBondContact O-N 2.82Å; I425-N429 VanDerWaalsContact O-N 3.12Å; I425-N429 PolarHBondContact O-ND2 3.19Å |
Retrieved 429 of 429 residues in 459.7 ms
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