| 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 | 30.1 | Very low | 31.8 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 100% | 1.207 | 82% | 0.815 | S | S | * | * | 0 | 124.4 | 0 | -69.1 | -172.3 | -163.8 | 0 | 0 | 107.3 | |||||
| 2 | A | 33.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | 50.6 | 70.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | G4 | A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 3.17Å | ||
| 3 | S | 32.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 84 | 151.8 | 56.6 | 0 | 0 | 0 | 0 | 107.5 | T5 | S3-T5 PolarHBondContact O-N 3.28Š| ||
| 4 | G | 32.5 | Very low | 35.7 | Very low | 72 Ų | 72 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -65.5 | 103.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A2 E6 | A2-G4 VanDerWaalsContact C-N 3.34Å; A2-G4 PolarHBondContact O-N 3.17Å; G4-E6 PolarHBondContact O-N 2.9Å | ||
| 5 | T | 32.8 | Very low | 38.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -68.2 | 104.1 | 162.9 | 41.8 | 0 | 0 | 0 | 0 | 106.5 | S3 E7 | S3-T5 PolarHBondContact O-N 3.28Å; T5-E7 PolarHBondContact O-N 3.16Å | ||
| 6 | E | 32.3 | Very low | 40.7 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | -56 | 103.9 | 165.9 | -74.7 | -178.3 | 156.5 | 0 | 0 | 107.7 | G4 M8 | G4-E6 PolarHBondContact O-N 2.9Å; E6-M8 PolarHBondContact O-N 2.98Å | ||
| 7 | E | 28.7 | Very low | 43.5 | Very low | 187 Ų | 187 | 126.9 Ų | 126.9 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -61.5 | 102.7 | 165.8 | -75.5 | -176.9 | 155.8 | 0 | 0 | 107.1 | T5 D9 | T5-E7 PolarHBondContact O-N 3.16Å; E7-D9 PolarHBondContact O-N 3.25Å | ||
| 8 | M | 30.8 | Very low | 46.3 | Very low | 159 Ų | 159 | 120 Ų | 120 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -59.4 | 106.1 | 172.1 | -74.5 | -176.3 | 65.2 | 0 | 0 | 108.8 | E6 N10 | E6-M8 PolarHBondContact O-N 2.98Å; M8-N10 PolarHBondContact O-N 2.97Å | ||
| 9 | D | 30.3 | Very low | 48.7 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 67% | 0.674 | 65% | 0.649 | S | S | * | * | trans | -57.5 | 97.8 | 171 | -168.5 | -4.3 | 0 | 0 | 0 | 109.5 | E7 S11 | E7-D9 PolarHBondContact O-N 3.25Å; D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 PolarHBondContact O-N 2.9Å; D9-S11 WeakPolarHBondContact OD1-CB 3.44Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 3.47Å; D9-S11 PolarHBondContact OD2-OG 2.86Å | ||
| 10 | N | 33.7 | Very low | 50.9 | Low | 144 Ų | 144 | 110.2 Ų | 110.2 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 15.6 | -175.8 | -115.6 | -12.7 | 0 | 0 | 0 | 112.7 | M8 | M8-N10 PolarHBondContact O-N 2.97Š|
| 11 | S | 32.5 | Very low | 53.1 | Low | 86 Ų | 86 | 105 Ų | 105 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -8.2 | -175.4 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | D9 P13 | D9-S11 VanDerWaalsContact CG-OG 3.25Å; D9-S11 PolarHBondContact O-N 2.9Å; D9-S11 WeakPolarHBondContact OD1-CB 3.44Å; D9-S11 PolarHBondContact OD1-N 3.21Å; D9-S11 PolarHBondContact OD1-OG 3.47Å; D9-S11 PolarHBondContact OD2-OG 2.86Å; S11-P13 WeakPolarHBondContact O-CD 3.41Å |
| 12 | S | 40.9 | Very low | 56.3 | Low | 71 Ų | 71 | 93.4 Ų | 93.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -71.2 | 118.4 | 171.8 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | R14 | S12-R14 PolarHBondContact O-N 3.37Š|
| 13 | P | 49.7 | Very low | 59.2 | Low | 107 Ų | 107 | 90.7 Ų | 90.7 | 70% | 0.695 | 50% | 0.502 | S | S | * | . | trans | -61.1 | 113.7 | 178.9 | 23.8 | -30.7 | 0 | 0 | 0 | 107.3 | S11 L15 | S11-P13 WeakPolarHBondContact O-CD 3.41Å; P13-L15 PolarHBondContact O-N 3.31Å | ||
| 14 | R | 59.1 | Low | 62.3 | Low | 197 Ų | 197 | 85.2 Ų | 85.2 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | trans | -53.1 | 115 | 170.5 | -74 | -175.3 | 179.8 | -178.1 | -0.5 | 106.3 | S12 K16 | S12-R14 PolarHBondContact O-N 3.37Å; R14-K16 PolarHBondContact O-N 3.21Å | ||
| 15 | L | 71.6 | Confident | 65.3 | Low | 21 Ų | 21 | 81.8 Ų | 81.8 | 11% | 0.11 | 43% | 0.428 | C | S | . | . | trans | -66.1 | 84 | 175.1 | -66.3 | 172.2 | 0 | 0 | 0 | 107.2 | P13 L18 G19 Y42 C168 E172 | P13-L15 PolarHBondContact O-N 3.31Å; L15-L18 HydrophobicContact CB-CB 3.65Å; L15-L18 HydrophobicContact CB-CD2 3.94Å; L15-L18 HydrophobicContact CB-CG 4.45Å; L15-L18 HydrophobicContact CD1-CD2 3.72Å; L15-L18 HydrophobicContact CG-CD2 4.49Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L15-G19 PolarHBondContact O-N 3.18Å; L15-Y42 HydrophobicContact CD1-CE1 4.16Å; L15-C168 HydrophobicContact CD1-CB 4.33Å; L15-E172 WeakPolarHBondContact CA-OE2 3.49Å; L15-E172 WeakPolarHBondContact CB-OE2 3.43Å; L15-E172 HydrophobicContact CD2-CB 4.19Å; L15-E172 HydrophobicContact CD2-CG 3.96Å | ||
| 16 | K | 80.1 | Confident | 68.4 | Low | 158 Ų | 158 | 76 Ų | 76 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -75.5 | -40.7 | -164.2 | -172 | -175.8 | 176.8 | -172.6 | 0 | 109.7 | R14 G19 E172 | R14-K16 PolarHBondContact O-N 3.21Å; K16-G19 PolarHBondContact O-N 3.35Å; K16-E172 PolarHBondContact N-OE1 3.5Å; K16-E172 PolarHBondContact N-OE2 2.9Å |
| 17 | N | 89 | Confident | 71.5 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -73.8 | -30.8 | 177 | -77.2 | -2.8 | 0 | 0 | 0 | 112 | G19 N20 E172 | N17-G19 VanDerWaalsContact C-N 3.3Å; N17-G19 PolarHBondContact O-N 3.44Å; N17-N20 WeakPolarHBondContact O-CB 3.33Å; N17-N20 PolarHBondContact O-N 2.75Å; N17-E172 WeakPolarHBondContact CB-O 3.12Å; N17-E172 PolarHBondContact N-OE1 3.2Å; N17-E172 PolarHBondContact N-OE2 2.73Å; N17-E172 VanDerWaalsContact N-OE2 3.09Å; N17-E172 PolarHBondContact ND2-O 3.26Å |
| 18 | L | 92.8 | Very high | 74.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.5 | -50.8 | 170.5 | 178.4 | 66.6 | 0 | 0 | 0 | 110.2 | L15 N20 W21 I22 P43 C168 V171 E172 | L15-L18 HydrophobicContact CB-CB 3.65Å; L15-L18 HydrophobicContact CB-CD2 3.94Å; L15-L18 HydrophobicContact CB-CG 4.45Å; L15-L18 HydrophobicContact CD1-CD2 3.72Å; L15-L18 HydrophobicContact CG-CD2 4.49Å; L15-L18 WeakPolarHBondContact O-CB 3.36Å; L18-N20 PolarHBondContact O-N 3.3Å; L18-N20 VanDerWaalsContact O-N 3.1Å; L18-W21 CarbonylContact O-C 3.57Å; L18-W21 PolarHBondContact O-N 3.43Å; L18-I22 CarbonylContact C-O 3.58Å; L18-I22 HydrophobicContact CD1-CB 3.97Å; L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 CarbonylContact O-C 3.56Å; L18-I22 PolarHBondContact O-N 2.85Å; L18-P43 HydrophobicContact CD2-CG 4.09Å; L18-C168 HydrophobicContact CD1-CB 4.25Å; L18-C168 HydrophobicContact CD2-CB 3.99Å; L18-V171 HydrophobicContact CD1-CB 3.94Å; L18-V171 HydrophobicContact CD1-CG1 3.66Å; L18-E172 PolarHBondContact N-OE2 2.98Å |
| 19 | G | 91.7 | Very high | 77.6 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.3 | -21.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L15 K16 N17 W21 I22 | L15-G19 PolarHBondContact O-N 3.18Å; K16-G19 PolarHBondContact O-N 3.35Å; N17-G19 VanDerWaalsContact C-N 3.3Å; N17-G19 PolarHBondContact O-N 3.44Å; G19-W21 VanDerWaalsContact C-N 3.31Å; G19-I22 WeakPolarHBondContact CA-O 3.49Å |
| 20 | N | 94.5 | Very high | 80.4 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.059 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.7 | -30.4 | 174.3 | -61.6 | -22.1 | 0 | 0 | 0 | 111.3 | N17 L18 V91 H92 L139 D176 P177 | N17-N20 WeakPolarHBondContact O-CB 3.33Å; N17-N20 PolarHBondContact O-N 2.75Å; L18-N20 PolarHBondContact O-N 3.3Å; L18-N20 VanDerWaalsContact O-N 3.1Å; N20-V91 HydrophobicContact CB-CG1 4.22Å; N20-H92 PolarHBondContact O-NE2 2.9Å; N20-L139 VanDerWaalsContact O-CD1 3.26Å; N20-L139 WeakPolarHBondContact O-CD1 3.4Å; N20-D176 PolarHBondContact ND2-OD1 3.09Å; N20-P177 HydrophobicContact CB-CG 4.39Å |
| 21 | W | 96.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -105.9 | -44 | -177.4 | -71.7 | 94.9 | 0 | 0 | 0 | 114 | L18 G19 T137 L139 F141 F144 Y145 V171 W174 E175 P177 L183 L185 I196 | L18-W21 CarbonylContact O-C 3.57Å; L18-W21 PolarHBondContact O-N 3.43Å; G19-W21 VanDerWaalsContact C-N 3.31Å; W21-T137 PolarHBondContact O-OG1 3.35Å; W21-L139 HydrophobicContact CE3-CD1 4.47Å; W21-F141 HydrophobicContact CE3-CE2 4.43Å; W21-F141 HydrophobicContact CZ3-CD2 4.15Å; W21-F141 AromaticContact CZ3-CE2 3.95Å; W21-F141 HydrophobicContact CZ3-CE2 3.95Å; W21-F144 AromaticContact CE3-CE1 3.74Å; W21-F144 HydrophobicContact CE3-CE1 3.74Å; W21-F144 HydrophobicContact CE3-CZ 4.28Å; W21-F144 HydrophobicContact CZ3-CD1 4.34Å; W21-F144 AromaticContact CZ3-CE1 3.73Å; W21-F144 HydrophobicContact CZ3-CE1 3.73Å; W21-F144 HydrophobicContact CZ3-CZ 4.05Å; W21-Y145 PolarHBondContact O-OH 3.33Å; W21-V171 HydrophobicContact CB-CG1 4.07Å; W21-V171 HydrophobicContact CG-CG1 4.42Å; W21-W174 HydrophobicContact CB-CE3 4.46Å; W21-W174 AromaticContact CD2-CE3 3.76Å; W21-W174 HydrophobicContact CD2-CE3 3.76Å; W21-W174 HydrophobicContact CD2-CZ3 4.22Å; W21-W174 AromaticContact CE2-CE3 3.92Å; W21-W174 HydrophobicContact CE3-CE3 4.21Å; W21-W174 HydrophobicContact CE3-CZ3 4.28Å; W21-W174 AromaticContact CG-CE3 3.87Å; W21-W174 HydrophobicContact CG-CE3 3.87Å; W21-W174 HydrophobicContact CG-CZ3 4.39Å; W21-W174 HydrophobicContact CZ2-CE3 4.49Å; W21-E175 VanDerWaalsContact CZ2-O 3.29Å; W21-E175 WeakPolarHBondContact CZ2-O 3.16Å; W21-E175 PolarHBondContact NE1-O 3.16Å; W21-P177 HydrophobicContact CD2-CB 3.99Å; W21-P177 HydrophobicContact CD2-CG 4.31Å; W21-P177 HydrophobicContact CE3-CB 4.06Å; W21-P177 HydrophobicContact CH2-CB 3.7Å; W21-P177 HydrophobicContact CZ2-CB 3.6Å; W21-P177 HydrophobicContact CZ2-CG 4.43Å; W21-P177 HydrophobicContact CZ3-CB 3.93Å; W21-L183 HydrophobicContact CH2-CD1 3.68Å; W21-L183 HydrophobicContact CZ2-CD1 3.86Å; W21-L185 HydrophobicContact CH2-CD1 3.7Å; W21-L185 HydrophobicContact CZ2-CD1 4.08Å; W21-L185 HydrophobicContact CZ2-CD2 4.24Å; W21-L185 HydrophobicContact CZ3-CD1 4.13Å; W21-I196 HydrophobicContact CH2-CD1 4.34Å |
| 22 | I | 96.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -137.5 | 124.1 | -170.7 | -58.3 | 174.3 | 0 | 0 | 0 | 107.5 | L18 G19 F25 L135 Y145 V171 | L18-I22 CarbonylContact C-O 3.58Å; L18-I22 HydrophobicContact CD1-CB 3.97Å; L18-I22 HydrophobicContact CD1-CD1 4.41Å; L18-I22 CarbonylContact O-C 3.56Å; L18-I22 PolarHBondContact O-N 2.85Å; G19-I22 WeakPolarHBondContact CA-O 3.49Å; I22-F25 HydrophobicContact CD1-CE2 3.82Å; I22-F25 HydrophobicContact CD1-CZ 3.67Å; I22-F25 HydrophobicContact CG2-CD2 4.25Å; I22-F25 HydrophobicContact CG2-CE2 3.99Å; I22-F25 HydrophobicContact CG2-CZ 4.37Å; I22-L135 HydrophobicContact CD1-CD1 3.84Å; I22-L135 HydrophobicContact CD1-CG 4.37Å; I22-L135 HydrophobicContact CG1-CD1 4.18Å; I22-L135 HydrophobicContact CG1-CD2 4.37Å; I22-L135 HydrophobicContact CG1-CG 4.34Å; I22-L135 HydrophobicContact CG2-CD2 4.3Å; I22-L135 HydrophobicContact CG2-CG 3.98Å; I22-Y145 HydrophobicContact CG1-CE1 4.06Å; I22-V171 HydrophobicContact CD1-CG1 4.46Å; I22-V171 HydrophobicContact CD1-CG2 4.36Å | ||
| 23 | H | 95 | Very high | 86.8 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -70 | -50.8 | 175.7 | -176.5 | 69.1 | 0 | 0 | 0 | 110.6 | I47 F110 I136 | H23-I47 PolarHBondContact CE1-O 2.98Å; H23-I47 PolarHBondContact NE2-O 3.08Å; H23-F110 HydrophobicContact CB-CE1 4.4Å; H23-I136 HydrophobicContact CB-CG2 4.29Å; H23-I136 WeakPolarHBondContact CB-O 3.25Å; H23-I136 PolarHBondContact N-O 3.18Å |
| 24 | C | 96.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 167.5 | 172.1 | 61 | 0 | 0 | 0 | 0 | 112.2 | K41 Y42 A46 I136 | C24-K41 HydrophobicContact CB-CG 4.25Å; C24-Y42 CarbonylContact C-O 3.59Å; C24-Y42 WeakPolarHBondContact CA-O 3.44Å; C24-Y42 WeakPolarHBondContact CB-O 3.3Å; C24-A46 HydrophobicContact CB-CB 3.61Å; C24-I136 PolarHBondContact N-O 2.96Å; C24-I136 PolarHBondContact O-N 3.15Å |
| 25 | F | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 139.4 | 160.2 | -69.1 | -83.8 | 0 | 0 | 0 | 110 | I22 K41 Y42 V134 L135 L149 L152 I164 | I22-F25 HydrophobicContact CD1-CE2 3.82Å; I22-F25 HydrophobicContact CD1-CZ 3.67Å; I22-F25 HydrophobicContact CG2-CD2 4.25Å; I22-F25 HydrophobicContact CG2-CE2 3.99Å; I22-F25 HydrophobicContact CG2-CZ 4.37Å; F25-K41 CarbonylContact O-C 3.55Å; F25-K41 VanDerWaalsContact O-CA 3.29Å; F25-K41 WeakPolarHBondContact O-CA 3.1Å; F25-Y42 PolarHBondContact N-O 3.19Å; F25-Y42 PolarHBondContact O-N 2.85Å; F25-V134 CarbonylContact C-O 3.52Å; F25-V134 VanDerWaalsContact CA-O 3.26Å; F25-V134 WeakPolarHBondContact CA-O 3.45Å; F25-L135 HydrophobicContact CD1-CB 4.06Å; F25-L135 HydrophobicContact CD1-CG 4.38Å; F25-L135 HydrophobicContact CE1-CB 3.84Å; F25-L135 HydrophobicContact CE1-CD1 3.69Å; F25-L135 HydrophobicContact CE1-CG 3.86Å; F25-L135 HydrophobicContact CZ-CD1 3.89Å; F25-L135 HydrophobicContact CZ-CG 4.26Å; F25-L149 HydrophobicContact CE1-CD1 4.5Å; F25-L152 HydrophobicContact CD1-CD2 4.04Å; F25-L152 HydrophobicContact CE1-CD2 3.34Å; F25-L152 HydrophobicContact CZ-CD2 3.78Å; F25-I164 HydrophobicContact CB-CD1 4.48Å; F25-I164 HydrophobicContact CB-CG2 3.98Å; F25-I164 HydrophobicContact CD2-CG2 3.84Å; F25-I164 HydrophobicContact CG-CG2 4Å |
| 26 | C | 97.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.6 | 171.2 | -66.1 | 0 | 0 | 0 | 0 | 108.9 | I28 L38 L40 V134 | C26-I28 HydrophobicContact CB-CG1 4.31Å; C26-L38 HydrophobicContact CB-CD1 3.57Å; C26-L40 CarbonylContact C-O 3.42Å; C26-L40 WeakPolarHBondContact CA-O 3.46Å; C26-V134 HydrophobicContact CB-CB 4.23Å; C26-V134 PolarHBondContact N-O 3.09Å; C26-V134 PolarHBondContact O-N 3.15Å |
| 27 | V | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.4 | 167.4 | -172.7 | 0 | 0 | 0 | 0 | 107.7 | E39 L40 K131 S132 Y156 I164 | V27-E39 WeakPolarHBondContact CG1-OE2 3.07Å; V27-E39 WeakPolarHBondContact O-CB 3.24Å; V27-E39 PolarHBondContact O-N 3.09Å; V27-L40 HydrophobicContact CB-CD1 4.27Å; V27-L40 HydrophobicContact CB-CD2 3.78Å; V27-L40 HydrophobicContact CB-CG 3.64Å; V27-L40 HydrophobicContact CG2-CD1 3.71Å; V27-L40 HydrophobicContact CG2-CD2 3.66Å; V27-L40 HydrophobicContact CG2-CG 3.6Å; V27-L40 PolarHBondContact N-O 3.02Å; V27-L40 PolarHBondContact O-N 3.12Å; V27-K131 HydrophobicContact CG1-CD 3.62Å; V27-K131 HydrophobicContact CG1-CG 3.7Å; V27-S132 WeakPolarHBondContact CA-O 3.49Å; V27-Y156 HydrophobicContact CG1-CE1 3.91Å; V27-Y156 HydrophobicContact CG2-CE1 4.06Å; V27-Y156 HydrophobicContact CG2-CE2 4.21Å; V27-I164 HydrophobicContact CG2-CD1 4.01Å |
| 28 | I | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.9 | -170.9 | -49.3 | -173.2 | 0 | 0 | 0 | 107.6 | C26 Q36 S37 L38 A56 C57 A60 F61 K131 S132 V134 | C26-I28 HydrophobicContact CB-CG1 4.31Å; I28-Q36 HydrophobicContact CG2-CB 4.48Å; I28-S37 CarbonylContact C-O 3.44Å; I28-S37 VanDerWaalsContact CA-O 3.31Å; I28-S37 WeakPolarHBondContact CA-O 3.16Å; I28-S37 VanDerWaalsContact CG2-O 3.24Å; I28-S37 WeakPolarHBondContact CG2-O 3.2Å; I28-L38 HydrophobicContact CG1-CD1 4.29Å; I28-A56 HydrophobicContact CD1-CB 4.1Å; I28-A56 WeakPolarHBondContact CD1-O 3.29Å; I28-C57 HydrophobicContact CG2-CB 4.17Å; I28-A60 HydrophobicContact CD1-CB 3.81Å; I28-F61 HydrophobicContact CB-CE2 4.03Å; I28-F61 HydrophobicContact CG2-CD2 4.36Å; I28-F61 HydrophobicContact CG2-CE2 3.58Å; I28-F61 HydrophobicContact CG2-CZ 4.46Å; I28-K131 CarbonylContact O-C 3.39Å; I28-K131 WeakPolarHBondContact O-CA 3.49Å; I28-S132 PolarHBondContact N-O 2.78Å; I28-S132 PolarHBondContact O-N 3.24Å; I28-V134 HydrophobicContact CD1-CG2 3.76Å; I28-V134 HydrophobicContact CG1-CG2 4.13Å |
| 29 | T | 92.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 161.3 | 178.3 | 38.3 | 0 | 0 | 0 | 0 | 111.4 | Q36 S37 E39 K131 | T29-Q36 WeakPolarHBondContact O-CA 3.46Å; T29-S37 PolarHBondContact N-O 3.45Å; T29-S37 PolarHBondContact O-N 3.36Å; T29-S37 PolarHBondContact OG1-O 3.38Å; T29-S37 PolarHBondContact OG1-OG 3.19Å; T29-E39 HydrophobicContact CG2-CB 4.13Å; T29-E39 HydrophobicContact CG2-CG 4.38Å; T29-E39 WeakPolarHBondContact CG2-OE2 3.19Å; T29-K131 HydrophobicContact CG2-CD 4.19Å; T29-K131 HydrophobicContact CG2-CG 4.09Å |
| 30 | F | 87.7 | Confident | 91.3 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 25% | 0.254 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 107.9 | 163.4 | -165.5 | -85.9 | 0 | 0 | 0 | 109.4 | Q36 F61 Q130 | F30-Q36 HydrophobicContact CD2-CG 4.1Å; F30-Q36 HydrophobicContact CE2-CG 4.47Å; F30-F61 HydrophobicContact CB-CE1 3.84Å; F30-F61 HydrophobicContact CB-CZ 4.27Å; F30-F61 HydrophobicContact CD2-CE1 4.38Å; F30-Q130 HydrophobicContact CB-CB 4.25Å; F30-Q130 PolarHBondContact N-O 2.95Å |
| 31 | D | 82.5 | Confident | 91.3 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.7 | 169.2 | -172.1 | -76.9 | 0 | 0 | 0 | 109.9 | E33 V34 G35 | D31-E33 PolarHBondContact OD1-N 3.42Å; D31-V34 HydrophobicContact CB-CB 4.13Å; D31-V34 PolarHBondContact OD1-N 3.01Å; D31-G35 PolarHBondContact N-O 2.88Å; D31-G35 WeakPolarHBondContact O-CA 3.31Å; D31-G35 PolarHBondContact O-N 2.76Å |
| 32 | L | 78.4 | Confident | 91.3 | Very high | 102 Ų | 102 | 45.6 Ų | 45.6 | 53% | 0.534 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -30.8 | -176.8 | -78.3 | 168.6 | 0 | 0 | 0 | 113.6 | P125 R126 | L32-P125 HydrophobicContact CD1-CB 3.72Å; L32-P125 HydrophobicContact CD1-CG 3.82Å; L32-R126 HydrophobicContact CD2-CB 4.12Å; L32-R126 HydrophobicContact CD2-CG 4.28Å |
| 33 | E | 80.7 | Confident | 91.1 | Very high | 189 Ų | 189 | 46 Ų | 46 | 88% | 0.883 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -39.4 | -178.1 | -60.3 | -173.9 | 173.5 | 0 | 0 | 110.9 | D31 | D31-E33 PolarHBondContact OD1-N 3.42Š|
| 34 | V | 81.7 | Confident | 90.9 | Very high | 109 Ų | 109 | 48 Ų | 48 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -25.4 | -173.4 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | D31 | D31-V34 HydrophobicContact CB-CB 4.13Å; D31-V34 PolarHBondContact OD1-N 3.01Å |
| 35 | G | 85.8 | Confident | 90.5 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.8 | -143.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D31 S37 | D31-G35 PolarHBondContact N-O 2.88Å; D31-G35 WeakPolarHBondContact O-CA 3.31Å; D31-G35 PolarHBondContact O-N 2.76Å; G35-S37 PolarHBondContact O-N 3.14Å |
| 36 | Q | 89 | Confident | 90.1 | Very high | 42 Ų | 42 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 118.9 | 178.7 | -59.3 | 82.2 | -0.1 | 0 | 0 | 110.6 | I28 T29 F30 C57 F61 | I28-Q36 HydrophobicContact CG2-CB 4.48Å; T29-Q36 WeakPolarHBondContact O-CA 3.46Å; F30-Q36 HydrophobicContact CD2-CG 4.1Å; F30-Q36 HydrophobicContact CE2-CG 4.47Å; Q36-C57 HydrophobicContact CB-CB 4.04Å; Q36-C57 WeakPolarHBondContact CB-O 3.43Å; Q36-F61 HydrophobicContact CB-CD2 4.28Å; Q36-F61 HydrophobicContact CB-CE2 4.41Å; Q36-F61 HydrophobicContact CG-CB 4.2Å; Q36-F61 HydrophobicContact CG-CD1 4.29Å; Q36-F61 HydrophobicContact CG-CD2 3.63Å; Q36-F61 HydrophobicContact CG-CE2 4.09Å; Q36-F61 HydrophobicContact CG-CG 3.78Å |
| 37 | S | 92.1 | Very high | 89.7 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.3 | -175.8 | 63.7 | 0 | 0 | 0 | 0 | 112 | I28 T29 G35 E39 | I28-S37 CarbonylContact C-O 3.44Å; I28-S37 VanDerWaalsContact CA-O 3.31Å; I28-S37 WeakPolarHBondContact CA-O 3.16Å; I28-S37 VanDerWaalsContact CG2-O 3.24Å; I28-S37 WeakPolarHBondContact CG2-O 3.2Å; T29-S37 PolarHBondContact N-O 3.45Å; T29-S37 PolarHBondContact O-N 3.36Å; T29-S37 PolarHBondContact OG1-O 3.38Å; T29-S37 PolarHBondContact OG1-OG 3.19Å; G35-S37 PolarHBondContact O-N 3.14Å; S37-E39 PolarHBondContact O-N 3.43Å |
| 38 | L | 94.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.5 | 174.7 | -179.3 | 68.3 | 0 | 0 | 0 | 108.9 | C26 I28 L40 K41 I53 | C26-L38 HydrophobicContact CB-CD1 3.57Å; I28-L38 HydrophobicContact CG1-CD1 4.29Å; L38-L40 VanDerWaalsContact CD1-O 3.27Å; L38-L40 WeakPolarHBondContact CD1-O 3.35Å; L38-K41 HydrophobicContact CD2-CB 4.31Å; L38-I53 HydrophobicContact CB-CG2 4.09Å; L38-I53 HydrophobicContact CD2-CD1 4.28Å; L38-I53 HydrophobicContact CD2-CG1 4.33Å; L38-I53 HydrophobicContact CD2-CG2 3.9Å |
| 39 | E | 93.7 | Very high | 89.4 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -46.1 | 177 | -177.8 | -176.1 | -171.9 | 0 | 0 | 110.7 | V27 T29 S37 K131 | V27-E39 WeakPolarHBondContact CG1-OE2 3.07Å; V27-E39 WeakPolarHBondContact O-CB 3.24Å; V27-E39 PolarHBondContact O-N 3.09Å; T29-E39 HydrophobicContact CG2-CB 4.13Å; T29-E39 HydrophobicContact CG2-CG 4.38Å; T29-E39 WeakPolarHBondContact CG2-OE2 3.19Å; S37-E39 PolarHBondContact O-N 3.43Å; E39-K131 IonicContact OE1-NZ 3.34Å; E39-K131 PolarHBondContact OE1-NZ 3.4Å; E39-K131 VanDerWaalsContact OE2-CE 3.25Å; E39-K131 WeakPolarHBondContact OE2-CE 3.25Å; E39-K131 IonicContact OE2-NZ 3.17Å; E39-K131 PolarHBondContact OE2-NZ 2.92Å |
| 40 | L | 93.4 | Very high | 89.3 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.7 | 179.3 | 75.4 | 93.7 | 0 | 0 | 0 | 112.1 | C26 V27 L38 Y156 L161 | C26-L40 CarbonylContact C-O 3.42Å; C26-L40 WeakPolarHBondContact CA-O 3.46Å; V27-L40 HydrophobicContact CB-CD1 4.27Å; V27-L40 HydrophobicContact CB-CD2 3.78Å; V27-L40 HydrophobicContact CB-CG 3.64Å; V27-L40 HydrophobicContact CG2-CD1 3.71Å; V27-L40 HydrophobicContact CG2-CD2 3.66Å; V27-L40 HydrophobicContact CG2-CG 3.6Å; V27-L40 PolarHBondContact N-O 3.02Å; V27-L40 PolarHBondContact O-N 3.12Å; L38-L40 VanDerWaalsContact CD1-O 3.27Å; L38-L40 WeakPolarHBondContact CD1-O 3.35Å; L40-Y156 WeakPolarHBondContact CD2-OH 3.18Å; L40-L161 HydrophobicContact CD1-CD1 3.8Å; L40-L161 HydrophobicContact CD2-CD1 4.42Å |
| 41 | K | 94.7 | Very high | 89.5 | Confident | 53 Ų | 53 | 69.2 Ų | 69.2 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.7 | 173.1 | 178.9 | -172.5 | 67.7 | -176.8 | 0 | 108.9 | C24 F25 L38 S44 A46 L48 | C24-K41 HydrophobicContact CB-CG 4.25Å; F25-K41 CarbonylContact O-C 3.55Å; F25-K41 VanDerWaalsContact O-CA 3.29Å; F25-K41 WeakPolarHBondContact O-CA 3.1Å; L38-K41 HydrophobicContact CD2-CB 4.31Å; K41-S44 WeakPolarHBondContact CE-O 3.47Å; K41-S44 PolarHBondContact NZ-O 2.96Å; K41-S44 WeakPolarHBondContact O-CA 3.44Å; K41-S44 PolarHBondContact O-N 2.84Å; K41-A46 HydrophobicContact CD-CB 4.35Å; K41-A46 WeakPolarHBondContact CE-O 3.32Å; K41-A46 PolarHBondContact NZ-O 3.3Å; K41-L48 HydrophobicContact CD-CD1 4.2Å |
| 42 | Y | 95.2 | Very high | 90 | Very high | 37 Ų | 37 | 66.8 Ų | 66.8 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.2 | 177.2 | -168.4 | -86.2 | 0 | 0 | 0 | 111.3 | L15 C24 F25 L161 I164 E165 C168 | L15-Y42 HydrophobicContact CD1-CE1 4.16Å; C24-Y42 CarbonylContact C-O 3.59Å; C24-Y42 WeakPolarHBondContact CA-O 3.44Å; C24-Y42 WeakPolarHBondContact CB-O 3.3Å; F25-Y42 PolarHBondContact N-O 3.19Å; F25-Y42 PolarHBondContact O-N 2.85Å; Y42-L161 HydrophobicContact CD2-CD1 4.46Å; Y42-I164 HydrophobicContact CD1-CG2 4.01Å; Y42-I164 HydrophobicContact CG-CG2 4.15Å; Y42-E165 HydrophobicContact CD2-CG 4.09Å; Y42-E165 HydrophobicContact CE2-CB 4.5Å; Y42-E165 HydrophobicContact CE2-CG 3.63Å; Y42-C168 HydrophobicContact CD1-CB 4.06Å; Y42-C168 VanDerWaalsContact CD1-SG 3.51Å; Y42-C168 HydrophobicContact CE1-CB 3.47Å; Y42-C168 VanDerWaalsContact CE1-CB 3.47Å; Y42-C168 VanDerWaalsContact CE1-SG 3.59Å |
| 43 | P | 94 | Very high | 90.8 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | S | Bend | cis | -66.5 | 147.6 | -4.4 | 27.2 | -31.2 | 0 | 0 | 0 | 110.9 | L18 H45 A46 | L18-P43 HydrophobicContact CD2-CG 4.09Å; P43-H45 VanDerWaalsContact CB-CE1 3.48Å; P43-H45 WeakPolarHBondContact CB-CE1 3.31Å; P43-H45 PolarHBondContact O-N 2.92Å; P43-A46 HydrophobicContact CG-CB 4.16Å; P43-A46 VanDerWaalsContact O-CB 3.29Å; P43-A46 WeakPolarHBondContact O-CB 3.41Å; P43-A46 PolarHBondContact O-N 3.06Å |
| 44 | S | 88.9 | Confident | 91.3 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.2 | -175 | 52 | 0 | 0 | 0 | 0 | 112.8 | K41 A46 | K41-S44 WeakPolarHBondContact CE-O 3.47Å; K41-S44 PolarHBondContact NZ-O 2.96Å; K41-S44 WeakPolarHBondContact O-CA 3.44Å; K41-S44 PolarHBondContact O-N 2.84Å; S44-A46 VanDerWaalsContact C-N 3.33Å; S44-A46 PolarHBondContact O-N 3.39Å |
| 45 | H | 87.8 | Confident | 91.8 | Very high | 78 Ų | 78 | 54.4 Ų | 54.4 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.9 | 178 | 63.9 | -99.4 | 0 | 0 | 0 | 114.7 | P43 I47 | P43-H45 VanDerWaalsContact CB-CE1 3.48Å; P43-H45 WeakPolarHBondContact CB-CE1 3.31Å; P43-H45 PolarHBondContact O-N 2.92Å; H45-I47 PolarHBondContact O-N 2.87Å |
| 46 | A | 90.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -60.7 | 129.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C24 K41 P43 S44 | C24-A46 HydrophobicContact CB-CB 3.61Å; K41-A46 HydrophobicContact CD-CB 4.35Å; K41-A46 WeakPolarHBondContact CE-O 3.32Å; K41-A46 PolarHBondContact NZ-O 3.3Å; P43-A46 HydrophobicContact CG-CB 4.16Å; P43-A46 VanDerWaalsContact O-CB 3.29Å; P43-A46 WeakPolarHBondContact O-CB 3.41Å; P43-A46 PolarHBondContact O-N 3.06Å; S44-A46 VanDerWaalsContact C-N 3.33Å; S44-A46 PolarHBondContact O-N 3.39Å | ||
| 47 | I | 89.5 | Confident | 92.5 | Very high | 143 Ų | 143 | 52 Ų | 52 | 73% | 0.733 | 27% | 0.268 | S | S | * | . | trans | -84.9 | 122 | -174.6 | -58.5 | 173 | 0 | 0 | 0 | 109.1 | H23 H45 | H23-I47 PolarHBondContact CE1-O 2.98Å; H23-I47 PolarHBondContact NE2-O 3.08Å; H45-I47 PolarHBondContact O-N 2.87Å | ||
| 48 | L | 92.2 | Very high | 92.4 | Very high | 18 Ų | 18 | 54 Ų | 54 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | trans | -136.2 | 135.5 | 168.3 | -71.4 | 173.8 | 0 | 0 | 0 | 107.8 | K41 E52 I53 F110 I136 | K41-L48 HydrophobicContact CD-CD1 4.2Å; L48-E52 WeakPolarHBondContact CA-OE2 3.48Å; L48-E52 HydrophobicContact CB-CB 4.46Å; L48-E52 HydrophobicContact CD2-CB 4.32Å; L48-I53 HydrophobicContact CB-CD1 4.23Å; L48-I53 HydrophobicContact CB-CG1 3.81Å; L48-I53 HydrophobicContact CD1-CG1 4.29Å; L48-F110 HydrophobicContact CD2-CE2 4.17Å; L48-I136 HydrophobicContact CD1-CD1 3.88Å; L48-I136 HydrophobicContact CD2-CD1 4.48Å | ||
| 49 | S | 92.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 51.5 Ų | 51.5 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | trans | -67 | 164.7 | 174 | 98.8 | 0 | 0 | 0 | 0 | 110.8 | E51 E52 I53 V81 | S49-E51 VanDerWaalsContact C-N 3.28Å; S49-E51 WeakPolarHBondContact CB-OE2 3.19Å; S49-E51 PolarHBondContact O-N 3.25Å; S49-E51 PolarHBondContact OG-N 2.99Å; S49-E51 PolarHBondContact OG-OE2 3.34Å; S49-E52 PolarHBondContact N-OE2 3.23Å; S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 WeakPolarHBondContact OG-CG 3.5Å; S49-E52 PolarHBondContact OG-N 2.83Å; S49-E52 VanDerWaalsContact OG-N 3.14Å; S49-I53 WeakPolarHBondContact O-CG1 3.4Å; S49-I53 PolarHBondContact O-N 3.42Å; S49-V81 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 50 | K | 91.2 | Very high | 92.5 | Very high | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.8 | -38.9 | 175.8 | -69.1 | -176.6 | 179.4 | -179.9 | 0 | 111.3 | I53 L54 | K50-I53 PolarHBondContact O-N 3.17Å; K50-L54 WeakPolarHBondContact O-CB 3.43Å; K50-L54 VanDerWaalsContact O-CG 3.26Å; K50-L54 WeakPolarHBondContact O-CG 3.39Å; K50-L54 PolarHBondContact O-N 3.18Å |
| 51 | E | 91.1 | Very high | 92.3 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 44% | 0.435 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.8 | -58.1 | 74.7 | -161.2 | 0 | 0 | 111.8 | S49 L54 S55 V81 | S49-E51 VanDerWaalsContact C-N 3.28Å; S49-E51 WeakPolarHBondContact CB-OE2 3.19Å; S49-E51 PolarHBondContact O-N 3.25Å; S49-E51 PolarHBondContact OG-N 2.99Å; S49-E51 PolarHBondContact OG-OE2 3.34Å; E51-L54 PolarHBondContact O-N 3.12Å; E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 3.37Å; E51-S55 PolarHBondContact O-OG 2.81Å; E51-V81 HydrophobicContact CB-CG2 4.15Å; E51-V81 HydrophobicContact CG-CG2 4.48Å |
| 52 | E | 93.8 | Very high | 92 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -42.7 | 176.8 | -69.2 | 167.7 | 172.1 | 0 | 0 | 111.4 | L48 S49 S55 A56 I78 R80 V81 | L48-E52 WeakPolarHBondContact CA-OE2 3.48Å; L48-E52 HydrophobicContact CB-CB 4.46Å; L48-E52 HydrophobicContact CD2-CB 4.32Å; S49-E52 PolarHBondContact N-OE2 3.23Å; S49-E52 PolarHBondContact O-N 3.42Å; S49-E52 WeakPolarHBondContact OG-CG 3.5Å; S49-E52 PolarHBondContact OG-N 2.83Å; S49-E52 VanDerWaalsContact OG-N 3.14Å; E52-S55 PolarHBondContact O-N 3.15Å; E52-A56 PolarHBondContact O-N 3.33Å; E52-I78 HydrophobicContact CB-CG2 3.99Å; E52-I78 HydrophobicContact CG-CG2 4.02Å; E52-R80 VanDerWaalsContact OE1-CA 3.25Å; E52-R80 WeakPolarHBondContact OE1-CA 3.29Å; E52-V81 PolarHBondContact OE1-N 2.91Å |
| 53 | I | 94.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 23% | 0.226 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 174.3 | -68.4 | 167.3 | 0 | 0 | 0 | 110.4 | L38 L48 S49 K50 S55 A56 C57 | L38-I53 HydrophobicContact CB-CG2 4.09Å; L38-I53 HydrophobicContact CD2-CD1 4.28Å; L38-I53 HydrophobicContact CD2-CG1 4.33Å; L38-I53 HydrophobicContact CD2-CG2 3.9Å; L48-I53 HydrophobicContact CB-CD1 4.23Å; L48-I53 HydrophobicContact CB-CG1 3.81Å; L48-I53 HydrophobicContact CD1-CG1 4.29Å; S49-I53 WeakPolarHBondContact O-CG1 3.4Å; S49-I53 PolarHBondContact O-N 3.42Å; K50-I53 PolarHBondContact O-N 3.17Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 3.11Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 2.93Å; I53-C57 PolarHBondContact O-N 2.85Å; I53-C57 PolarHBondContact O-SG 2.77Å |
| 54 | L | 92.3 | Very high | 90.2 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 178 | -75 | 170.1 | 0 | 0 | 0 | 111.6 | K50 E51 A56 C57 Y58 | K50-L54 WeakPolarHBondContact O-CB 3.43Å; K50-L54 VanDerWaalsContact O-CG 3.26Å; K50-L54 WeakPolarHBondContact O-CG 3.39Å; K50-L54 PolarHBondContact O-N 3.18Å; E51-L54 PolarHBondContact O-N 3.12Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 3.01Å; L54-C57 PolarHBondContact O-N 2.78Å; L54-Y58 HydrophobicContact CB-CE2 4.26Å; L54-Y58 HydrophobicContact CD2-CE2 4.16Å; L54-Y58 WeakPolarHBondContact O-CD2 3.36Å; L54-Y58 PolarHBondContact O-N 3.45Å |
| 55 | S | 92.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 49 Ų | 49 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.5 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | E51 E52 I53 L59 | E51-S55 WeakPolarHBondContact O-CB 3.49Å; E51-S55 PolarHBondContact O-N 3.37Å; E51-S55 PolarHBondContact O-OG 2.81Å; E52-S55 PolarHBondContact O-N 3.15Å; I53-S55 VanDerWaalsContact C-N 3.33Å; I53-S55 PolarHBondContact O-N 3.11Å; S55-L59 VanDerWaalsContact O-CB 3.29Å; S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 WeakPolarHBondContact O-CG 3.47Å; S55-L59 PolarHBondContact O-N 2.96Å |
| 56 | A | 94.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I28 E52 I53 L54 A60 I78 I136 | I28-A56 HydrophobicContact CD1-CB 4.1Å; I28-A56 WeakPolarHBondContact CD1-O 3.29Å; E52-A56 PolarHBondContact O-N 3.33Å; I53-A56 WeakPolarHBondContact O-CB 3.48Å; I53-A56 PolarHBondContact O-N 2.93Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 3.01Å; A56-A60 WeakPolarHBondContact O-CB 3.49Å; A56-A60 PolarHBondContact O-N 3.13Å; A56-I78 HydrophobicContact CB-CD1 3.85Å; A56-I136 HydrophobicContact CB-CD1 4.46Å |
| 57 | C | 93.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 179.3 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | I28 Q36 I53 L54 | I28-C57 HydrophobicContact CG2-CB 4.17Å; Q36-C57 HydrophobicContact CB-CB 4.04Å; Q36-C57 WeakPolarHBondContact CB-O 3.43Å; I53-C57 PolarHBondContact O-N 2.85Å; I53-C57 PolarHBondContact O-SG 2.77Å; L54-C57 PolarHBondContact O-N 2.78Å |
| 58 | Y | 91.1 | Very high | 85.3 | Confident | 70 Ų | 70 | 45.5 Ų | 45.5 | 28% | 0.275 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.1 | -35.4 | -176.8 | -65.8 | -50 | 0 | 0 | 0 | 113.7 | L54 Q307 | L54-Y58 HydrophobicContact CB-CE2 4.26Å; L54-Y58 HydrophobicContact CD2-CE2 4.16Å; L54-Y58 WeakPolarHBondContact O-CD2 3.36Å; L54-Y58 PolarHBondContact O-N 3.45Å; Y58-Q307 HydrophobicContact CD1-CB 4.07Å; Y58-Q307 VanDerWaalsContact CD1-CD 3.42Å; Y58-Q307 HydrophobicContact CD1-CG 4.32Å; Y58-Q307 HydrophobicContact CD2-CB 4Å; Y58-Q307 HydrophobicContact CG-CB 3.72Å; Y58-Q307 HydrophobicContact CG-CG 4.46Å; Y58-Q307 VanDerWaalsContact CZ-OE1 3.28Å |
| 59 | L | 94 | Very high | 84.4 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -82.6 | -20.8 | -179.3 | -65.9 | 171.7 | 0 | 0 | 0 | 112.7 | S55 F61 F74 F76 Y303 T305 | S55-L59 VanDerWaalsContact O-CB 3.29Å; S55-L59 WeakPolarHBondContact O-CB 3.43Å; S55-L59 WeakPolarHBondContact O-CG 3.47Å; S55-L59 PolarHBondContact O-N 2.96Å; L59-F61 PolarHBondContact O-N 3.05Å; L59-F74 VanDerWaalsContact O-CE2 3.24Å; L59-F74 WeakPolarHBondContact O-CE2 3.11Å; L59-F76 HydrophobicContact CB-CB 4.44Å; L59-F76 HydrophobicContact CB-CD1 3.85Å; L59-F76 HydrophobicContact CB-CD2 3.52Å; L59-F76 HydrophobicContact CB-CE1 3.86Å; L59-F76 HydrophobicContact CB-CE2 3.52Å; L59-F76 HydrophobicContact CB-CG 3.69Å; L59-F76 HydrophobicContact CB-CZ 3.7Å; L59-F76 HydrophobicContact CD1-CB 4.28Å; L59-F76 HydrophobicContact CD1-CD2 3.5Å; L59-F76 VanDerWaalsContact CD1-CD2 3.5Å; L59-F76 HydrophobicContact CD1-CE2 4.03Å; L59-F76 HydrophobicContact CD1-CG 4.05Å; L59-F76 HydrophobicContact CG-CD2 4.15Å; L59-F76 HydrophobicContact CG-CE2 4.43Å; L59-F76 HydrophobicContact CG-CG 4.44Å; L59-F76 WeakPolarHBondContact O-CE1 3.41Å; L59-Y303 HydrophobicContact CD2-CD1 4.25Å; L59-Y303 HydrophobicContact CD2-CE1 4.5Å; L59-Y303 WeakPolarHBondContact O-CD1 3.39Å; L59-Y303 VanDerWaalsContact O-CE1 3.27Å; L59-Y303 WeakPolarHBondContact O-CE1 3.46Å; L59-T305 HydrophobicContact CD2-CG2 4.02Å |
| 60 | A | 94.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I28 A56 F76 A114 S132 V134 | I28-A60 HydrophobicContact CD1-CB 3.81Å; A56-A60 WeakPolarHBondContact O-CB 3.49Å; A56-A60 PolarHBondContact O-N 3.13Å; A60-F76 HydrophobicContact CB-CE1 4.47Å; A60-F76 HydrophobicContact CB-CZ 4.37Å; A60-A114 HydrophobicContact CB-CB 4.16Å; A60-S132 PolarHBondContact O-OG 2.93Å; A60-V134 HydrophobicContact CB-CG2 3.64Å |
| 61 | F | 90.7 | Very high | 83.9 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -114.7 | 136.5 | -179.9 | -76.6 | -109.8 | 0 | 0 | 0 | 110.9 | I28 F30 Q36 L59 D63 F116 Q130 Y303 | I28-F61 HydrophobicContact CB-CE2 4.03Å; I28-F61 HydrophobicContact CG2-CD2 4.36Å; I28-F61 HydrophobicContact CG2-CE2 3.58Å; I28-F61 HydrophobicContact CG2-CZ 4.46Å; F30-F61 HydrophobicContact CB-CE1 3.84Å; F30-F61 HydrophobicContact CB-CZ 4.27Å; F30-F61 HydrophobicContact CD2-CE1 4.38Å; Q36-F61 HydrophobicContact CB-CD2 4.28Å; Q36-F61 HydrophobicContact CB-CE2 4.41Å; Q36-F61 HydrophobicContact CG-CB 4.2Å; Q36-F61 HydrophobicContact CG-CD1 4.29Å; Q36-F61 HydrophobicContact CG-CD2 3.63Å; Q36-F61 HydrophobicContact CG-CE2 4.09Å; Q36-F61 HydrophobicContact CG-CG 3.78Å; L59-F61 PolarHBondContact O-N 3.05Å; F61-D63 PolarHBondContact O-N 3.05Å; F61-F116 AromaticContact CD1-CD2 3.97Å; F61-F116 HydrophobicContact CD1-CD2 3.97Å; F61-F116 AromaticContact CD1-CE2 3.43Å; F61-F116 HydrophobicContact CD1-CE2 3.43Å; F61-F116 VanDerWaalsContact CD1-CE2 3.43Å; F61-F116 HydrophobicContact CD1-CZ 4.36Å; F61-F116 HydrophobicContact CE1-CD2 4.14Å; F61-F116 AromaticContact CE1-CE2 3.62Å; F61-F116 HydrophobicContact CE1-CE2 3.62Å; F61-F116 HydrophobicContact CG-CD2 4.37Å; F61-F116 HydrophobicContact CG-CE2 4.22Å; F61-Q130 HydrophobicContact CE1-CB 3.96Å; F61-Y303 PolarHBondContact O-OH 2.93Å; F61-Y303 VanDerWaalsContact O-OH 3.05Å |
| 62 | P | 86.8 | Confident | 83.8 | Confident | 31 Ų | 31 | 38.4 Ų | 38.4 | 20% | 0.201 | 23% | 0.231 | C | C | . | . | trans | -61.9 | 124.9 | 170.6 | -19.6 | 30.7 | 0 | 0 | 0 | 111.6 | S64 F74 F116 P277 Y303 | P62-S64 PolarHBondContact O-N 3.03Å; P62-F74 HydrophobicContact CG-CE1 4.44Å; P62-F116 VanDerWaalsContact CD-CD1 3.48Å; P62-F116 HydrophobicContact CG-CD1 3.49Å; P62-F116 VanDerWaalsContact CG-CD1 3.49Å; P62-F116 HydrophobicContact CG-CE1 3.69Å; P62-F116 HydrophobicContact CG-CG 4.02Å; P62-F116 HydrophobicContact CG-CZ 4.36Å; P62-P277 HydrophobicContact CB-CG 4.01Å; P62-P277 HydrophobicContact CG-CG 3.98Å; P62-Y303 WeakPolarHBondContact CA-OH 3.39Å | ||
| 63 | D | 80.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | trans | -100.5 | 69.5 | 173.8 | -176.3 | 32.2 | 0 | 0 | 0 | 108 | F61 Y303 T305 T331 N332 | F61-D63 PolarHBondContact O-N 3.05Å; D63-Y303 PolarHBondContact N-OH 3.29Å; D63-T305 HydrophobicContact CB-CG2 3.84Å; D63-T331 PolarHBondContact O-OG1 3.44Å; D63-N332 PolarHBondContact OD1-ND2 3.49Å; D63-N332 PolarHBondContact OD2-ND2 3.34Å | ||
| 64 | S | 70.5 | Confident | 83.6 | Confident | 30 Ų | 30 | 36.1 Ų | 36.1 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | trans | -136.2 | 137.9 | -176.9 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | P62 S66 P275 | P62-S64 PolarHBondContact O-N 3.03Å; S64-S66 PolarHBondContact O-N 2.89Å; S64-S66 WeakPolarHBondContact OG-CB 3.38Å; S64-S66 PolarHBondContact OG-N 3.21Å; S64-S66 PolarHBondContact OG-OG 3Å; S64-P275 PolarHBondContact OG-O 2.92Å | ||
| 65 | N | 62.9 | Low | 83.7 | Confident | 146 Ų | 146 | 32.2 Ų | 32.2 | 78% | 0.781 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -74.5 | -1.6 | 171.4 | -70 | -24.2 | 0 | 0 | 0 | 112.7 | ||
| 66 | S | 60.9 | Low | 83.9 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -67.4 | 132.1 | 172.9 | 62 | 0 | 0 | 0 | 0 | 109.6 | S64 F68 F276 | S64-S66 PolarHBondContact O-N 2.89Å; S64-S66 WeakPolarHBondContact OG-CB 3.38Å; S64-S66 PolarHBondContact OG-N 3.21Å; S64-S66 PolarHBondContact OG-OG 3Å; S66-F68 PolarHBondContact O-N 2.84Å; S66-F276 WeakPolarHBondContact OG-CE1 3.27Å |
| 67 | G | 62.5 | Low | 84 | Confident | 79 Ų | 79 | 31.7 Ų | 31.7 | 81% | 0.814 | 19% | 0.194 | S | C | * | . | trans | -68.2 | 59.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L69 | G67-L69 PolarHBondContact O-N 2.8Š| ||
| 68 | F | 67.7 | Low | 84.1 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 15% | 0.154 | 19% | 0.194 | C | C | . | . | trans | -66.4 | 128 | -176.6 | 179.1 | -93.5 | 0 | 0 | 0 | 110.4 | S66 G70 A72 F116 Q118 F276 | S66-F68 PolarHBondContact O-N 2.84Å; F68-G70 VanDerWaalsContact CE1-O 3.3Å; F68-G70 WeakPolarHBondContact CE1-O 3.19Å; F68-A72 HydrophobicContact CE1-CB 4.14Å; F68-A72 HydrophobicContact CE2-CB 4.29Å; F68-A72 HydrophobicContact CZ-CB 3.63Å; F68-F116 HydrophobicContact CD1-CD1 4.24Å; F68-F116 AromaticContact CD1-CE1 3.85Å; F68-F116 HydrophobicContact CD1-CE1 3.85Å; F68-F116 AromaticContact CE1-CD1 3.83Å; F68-F116 HydrophobicContact CE1-CD1 3.83Å; F68-F116 AromaticContact CE1-CE1 3.86Å; F68-F116 HydrophobicContact CE1-CE1 3.86Å; F68-Q118 VanDerWaalsContact O-CD 3.26Å; F68-Q118 PolarHBondContact O-NE2 3.11Å; F68-Q118 PolarHBondContact O-OE1 3.3Å; F68-F276 HydrophobicContact CB-CE1 4.33Å; F68-F276 AromaticContact CD2-CD1 3.83Å; F68-F276 HydrophobicContact CD2-CD1 3.83Å; F68-F276 AromaticContact CD2-CE1 3.68Å; F68-F276 HydrophobicContact CD2-CE1 3.68Å; F68-F276 HydrophobicContact CE2-CD1 4.46Å; F68-F276 HydrophobicContact CG-CE1 4.45Å | ||
| 69 | L | 74.7 | Confident | 84.1 | Confident | 90 Ų | 90 | 32.6 Ų | 32.6 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | trans | -133.5 | 124.7 | 176.5 | -86.8 | 161.2 | 0 | 0 | 0 | 107.6 | G67 K120 Y128 | G67-L69 PolarHBondContact O-N 2.8Å; L69-K120 HydrophobicContact CD2-CG 3.95Å; L69-Y128 HydrophobicContact CD2-CD1 4.12Å; L69-Y128 HydrophobicContact CD2-CE1 3.91Å | ||
| 70 | G | 84.9 | Confident | 84 | Confident | 26 Ų | 26 | 33.9 Ų | 33.9 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.9 | -151 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | F68 Q118 | F68-G70 VanDerWaalsContact CE1-O 3.3Å; F68-G70 WeakPolarHBondContact CE1-O 3.19Å; G70-Q118 PolarHBondContact N-O 3.28Å; G70-Q118 PolarHBondContact O-N 2.89Å |
| 71 | D | 88.2 | Confident | 83.6 | Confident | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.1 | -171.7 | -65.4 | -17.6 | 0 | 0 | 0 | 111.3 | F115 F116 R117 I237 | D71-F115 HydrophobicContact CB-CE1 3.75Å; D71-F115 HydrophobicContact CB-CE2 4.41Å; D71-F115 HydrophobicContact CB-CZ 3.55Å; D71-F115 VanDerWaalsContact CG-CE1 3.49Å; D71-F115 VanDerWaalsContact CG-CZ 3.48Å; D71-F115 VanDerWaalsContact OD2-CZ 3.32Å; D71-F115 WeakPolarHBondContact OD2-CZ 3.46Å; D71-F116 CarbonylContact C-O 3.51Å; D71-F116 VanDerWaalsContact CA-O 3.27Å; D71-F116 WeakPolarHBondContact CA-O 3.24Å; D71-R117 WeakPolarHBondContact OD1-CB 3.34Å; D71-R117 VanDerWaalsContact OD1-CG 3.3Å; D71-R117 WeakPolarHBondContact OD1-CG 3.43Å; D71-R117 IonicContact OD1-CZ 3.59Å; D71-R117 IonicContact OD1-NE 3.9Å; D71-R117 PolarHBondContact OD1-NE 3.33Å; D71-R117 IonicContact OD1-NH2 2.84Å; D71-R117 IonicContact OD2-CZ 2.72Å; D71-R117 IonicContact OD2-NE 3.61Å; D71-R117 IonicContact OD2-NH2 2.82Å; D71-R117 PolarHBondContact OD2-NH2 3.44Å; D71-I237 HydrophobicContact CB-CD1 4.22Å; D71-I237 HydrophobicContact CB-CG2 3.99Å |
| 72 | A | 88.2 | Confident | 83 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F68 F74 F115 F116 | F68-A72 HydrophobicContact CE1-CB 4.14Å; F68-A72 HydrophobicContact CE2-CB 4.29Å; F68-A72 HydrophobicContact CZ-CB 3.63Å; A72-F74 HydrophobicContact CB-CD1 4.11Å; A72-F74 HydrophobicContact CB-CE1 4.26Å; A72-F115 CarbonylContact O-C 3.54Å; A72-F115 WeakPolarHBondContact O-CA 3.25Å; A72-F116 PolarHBondContact N-O 3.1Å; A72-F116 PolarHBondContact O-N 3.22Å |
| 73 | L | 91.5 | Very high | 82.3 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 112.2 | 177.5 | 175.5 | 62.9 | 0 | 0 | 0 | 110.5 | A114 F115 R146 L149 Y233 I237 D278 | L73-A114 WeakPolarHBondContact CA-O 3.48Å; L73-F115 HydrophobicContact CB-CD2 4.32Å; L73-F115 HydrophobicContact CD1-CB 4.27Å; L73-F115 HydrophobicContact CD1-CD2 4.39Å; L73-R146 HydrophobicContact CD2-CB 4.16Å; L73-R146 HydrophobicContact CD2-CG 4.45Å; L73-R146 WeakPolarHBondContact CD2-O 3.25Å; L73-R146 PolarHBondContact O-NH1 3.38Å; L73-R146 VanDerWaalsContact O-NH1 3.15Å; L73-R146 PolarHBondContact O-NH2 3.36Å; L73-L149 HydrophobicContact CD1-CB 4.07Å; L73-L149 HydrophobicContact CD1-CD2 3.64Å; L73-L149 HydrophobicContact CD1-CG 4.12Å; L73-Y233 PolarHBondContact O-OH 2.87Å; L73-I237 HydrophobicContact CB-CD1 4.04Å; L73-D278 VanDerWaalsContact O-CB 3.27Å; L73-D278 WeakPolarHBondContact O-CB 3.48Å |
| 74 | F | 92.5 | Very high | 81.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 169.8 | -174.1 | 59.8 | -87.3 | 0 | 0 | 0 | 111 | L59 P62 A72 F76 F113 A114 F116 P277 D278 S281 Y303 | L59-F74 VanDerWaalsContact O-CE2 3.24Å; L59-F74 WeakPolarHBondContact O-CE2 3.11Å; P62-F74 HydrophobicContact CG-CE1 4.44Å; A72-F74 HydrophobicContact CB-CD1 4.11Å; A72-F74 HydrophobicContact CB-CE1 4.26Å; F74-F76 HydrophobicContact CD2-CD1 4.24Å; F74-F76 HydrophobicContact CE2-CD1 4.1Å; F74-F76 HydrophobicContact CE2-CE1 4.25Å; F74-F113 CarbonylContact O-C 3.59Å; F74-F113 WeakPolarHBondContact O-CA 3.21Å; F74-A114 HydrophobicContact CE1-CB 4.42Å; F74-A114 HydrophobicContact CE2-CB 4.13Å; F74-A114 HydrophobicContact CZ-CB 4.07Å; F74-A114 PolarHBondContact N-O 2.99Å; F74-A114 PolarHBondContact O-N 3.38Å; F74-F116 HydrophobicContact CE1-CB 4.04Å; F74-P277 HydrophobicContact CB-CB 4.24Å; F74-P277 HydrophobicContact CD1-CB 3.92Å; F74-P277 HydrophobicContact CD1-CG 3.64Å; F74-P277 HydrophobicContact CD2-CB 3.77Å; F74-P277 HydrophobicContact CD2-CG 4.37Å; F74-P277 HydrophobicContact CE1-CB 4.14Å; F74-P277 HydrophobicContact CE1-CG 3.68Å; F74-P277 HydrophobicContact CE2-CB 3.97Å; F74-P277 HydrophobicContact CE2-CG 4.38Å; F74-P277 HydrophobicContact CG-CB 3.73Å; F74-P277 HydrophobicContact CG-CG 4.01Å; F74-P277 HydrophobicContact CZ-CB 4.15Å; F74-P277 HydrophobicContact CZ-CG 4.05Å; F74-D278 VanDerWaalsContact CB-CA 3.5Å; F74-D278 HydrophobicContact CB-CB 3.95Å; F74-S281 WeakPolarHBondContact CB-OG 3.24Å; F74-Y303 HydrophobicContact CD2-CD1 4.13Å; F74-Y303 HydrophobicContact CD2-CG 4.46Å; F74-Y303 AromaticContact CE2-CD1 3.76Å; F74-Y303 HydrophobicContact CE2-CD1 3.76Å; F74-Y303 AromaticContact CE2-CE1 3.98Å; F74-Y303 HydrophobicContact CE2-CE1 3.98Å; F74-Y303 HydrophobicContact CE2-CG 4.48Å |
| 75 | H | 95.1 | Very high | 82 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 157.8 | 178.6 | 72.3 | -73.7 | 0 | 0 | 0 | 111.3 | A112 F113 S281 Q285 P302 | H75-A112 CarbonylContact C-O 3.58Å; H75-A112 WeakPolarHBondContact CA-O 3.5Å; H75-A112 WeakPolarHBondContact CB-O 3.33Å; H75-F113 HydrophobicContact CB-CD1 3.57Å; H75-F113 HydrophobicContact CB-CE1 3.73Å; H75-F113 HydrophobicContact CB-CG 4.16Å; H75-F113 HydrophobicContact CB-CZ 4.45Å; H75-S281 PolarHBondContact CE1-O 2.86Å; H75-S281 VanDerWaalsContact O-CB 3.26Å; H75-S281 WeakPolarHBondContact O-CB 3.46Å; H75-Q285 PolarHBondContact NE2-OE1 3.13Å; H75-P302 WeakPolarHBondContact O-CB 3.3Å |
| 76 | F | 96.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 176.2 | 175.8 | 51.8 | -91.7 | 0 | 0 | 0 | 109.3 | L59 A60 F74 I78 A112 A114 V134 | L59-F76 HydrophobicContact CB-CB 4.44Å; L59-F76 HydrophobicContact CB-CD1 3.85Å; L59-F76 HydrophobicContact CB-CD2 3.52Å; L59-F76 HydrophobicContact CB-CE1 3.86Å; L59-F76 HydrophobicContact CB-CE2 3.52Å; L59-F76 HydrophobicContact CB-CG 3.69Å; L59-F76 HydrophobicContact CB-CZ 3.7Å; L59-F76 HydrophobicContact CD1-CB 4.28Å; L59-F76 HydrophobicContact CD1-CD2 3.5Å; L59-F76 VanDerWaalsContact CD1-CD2 3.5Å; L59-F76 HydrophobicContact CD1-CE2 4.03Å; L59-F76 HydrophobicContact CD1-CG 4.05Å; L59-F76 HydrophobicContact CG-CD2 4.15Å; L59-F76 HydrophobicContact CG-CE2 4.43Å; L59-F76 HydrophobicContact CG-CG 4.44Å; L59-F76 WeakPolarHBondContact O-CE1 3.41Å; A60-F76 HydrophobicContact CB-CE1 4.47Å; A60-F76 HydrophobicContact CB-CZ 4.37Å; F74-F76 HydrophobicContact CD2-CD1 4.24Å; F74-F76 HydrophobicContact CE2-CD1 4.1Å; F74-F76 HydrophobicContact CE2-CE1 4.25Å; F76-I78 HydrophobicContact CD2-CG1 4.01Å; F76-I78 HydrophobicContact CE2-CD1 4Å; F76-I78 HydrophobicContact CE2-CG1 3.79Å; F76-A112 HydrophobicContact CD2-CB 3.73Å; F76-A112 HydrophobicContact CE1-CB 4.35Å; F76-A112 HydrophobicContact CE2-CB 3.36Å; F76-A112 HydrophobicContact CG-CB 4.37Å; F76-A112 HydrophobicContact CZ-CB 3.71Å; F76-A112 PolarHBondContact N-O 3.28Å; F76-A112 PolarHBondContact O-N 2.96Å; F76-A114 HydrophobicContact CE1-CB 3.8Å; F76-V134 HydrophobicContact CZ-CG1 4.34Å |
| 77 | R | 96.4 | Very high | 83.5 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.5 | 176.6 | -59.4 | -163.3 | -60.2 | 157.3 | 7.4 | 109.4 | D106 F109 F110 Y111 D299 F300 P302 | R77-D106 IonicContact NH1-OD2 3.52Å; R77-D106 PolarHBondContact NH1-OD2 3.01Å; R77-F109 HydrophobicContact CB-CB 4.35Å; R77-F109 HydrophobicContact CB-CD1 3.79Å; R77-F109 HydrophobicContact CB-CG 4.36Å; R77-F110 CarbonylContact C-O 3.55Å; R77-F110 VanDerWaalsContact CA-O 3.24Å; R77-F110 WeakPolarHBondContact CA-O 3.33Å; R77-Y111 HydrophobicContact CG-CD1 4.27Å; R77-Y111 HydrophobicContact CG-CE1 4.2Å; R77-D299 IonicContact CZ-OD1 3.11Å; R77-D299 IonicContact NH2-OD1 3.87Å; R77-D299 PolarHBondContact NH2-OD1 2.66Å; R77-F300 VanDerWaalsContact CZ-CE1 3.43Å; R77-F300 PolarHBondContact NE-O 3.46Å; R77-F300 VanDerWaalsContact NH1-CE1 3.27Å; R77-F300 PolarHBondContact NH2-O 2.95Å; R77-P302 HydrophobicContact CG-CG 4.42Å |
| 78 | I | 94.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.8 | 176.6 | -59.5 | 169.6 | 0 | 0 | 0 | 107.1 | E52 A56 F76 R80 F109 F110 A112 I136 | E52-I78 HydrophobicContact CB-CG2 3.99Å; E52-I78 HydrophobicContact CG-CG2 4.02Å; A56-I78 HydrophobicContact CB-CD1 3.85Å; F76-I78 HydrophobicContact CD2-CG1 4.01Å; F76-I78 HydrophobicContact CE2-CD1 4Å; F76-I78 HydrophobicContact CE2-CG1 3.79Å; I78-R80 PolarHBondContact O-N 2.89Å; I78-F109 CarbonylContact O-C 3.54Å; I78-F109 VanDerWaalsContact O-CA 3.25Å; I78-F109 WeakPolarHBondContact O-CA 3.27Å; I78-F110 HydrophobicContact CB-CB 4.38Å; I78-F110 PolarHBondContact N-O 3.46Å; I78-F110 PolarHBondContact O-N 3.12Å; I78-A112 HydrophobicContact CD1-CB 3.73Å; I78-A112 HydrophobicContact CG1-CB 4.11Å; I78-I136 HydrophobicContact CD1-CD1 3.95Å; I78-I136 HydrophobicContact CD1-CG1 4.34Å |
| 79 | R | 92.1 | Very high | 85.5 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.2 | 174.9 | -175.7 | -177.3 | -65.9 | -79.3 | 11.1 | 109.4 | D108 F109 D299 D310 | R79-D108 WeakPolarHBondContact CA-O 3.37Å; R79-F109 HydrophobicContact CB-CD1 4.18Å; R79-F109 HydrophobicContact CB-CE1 3.8Å; R79-F109 HydrophobicContact CB-CZ 4.42Å; R79-F109 HydrophobicContact CG-CE1 4.34Å; R79-F109 HydrophobicContact CG-CZ 4.5Å; R79-D299 IonicContact NH2-OD2 3.9Å; R79-D310 IonicContact CZ-OD2 3.84Å; R79-D310 IonicContact NE-OD1 2.81Å; R79-D310 IonicContact NE-OD2 3.9Å; R79-D310 PolarHBondContact NE-OD2 3.48Å; R79-D310 IonicContact NH2-OD2 2.94Å; R79-D310 PolarHBondContact NH2-OD2 2.87Å |
| 80 | R | 91.8 | Very high | 86.1 | Confident | 28 Ų | 28 | 53.9 Ų | 53.9 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | trans | -82.6 | 139.2 | 179.8 | -68.6 | 178.5 | 65.9 | -153 | 9.4 | 111.5 | E52 I78 G82 E86 P107 D108 F110 | E52-R80 VanDerWaalsContact OE1-CA 3.25Å; E52-R80 WeakPolarHBondContact OE1-CA 3.29Å; I78-R80 PolarHBondContact O-N 2.89Å; R80-G82 PolarHBondContact O-N 3.29Å; R80-E86 IonicContact CZ-OE2 2.65Å; R80-E86 IonicContact NH2-OE2 3.96Å; R80-E86 PolarHBondContact NH2-OE2 2.85Å; R80-P107 WeakPolarHBondContact CD-O 3.38Å; R80-P107 PolarHBondContact NH1-O 3.29Å; R80-D108 PolarHBondContact N-O 3.01Å; R80-F110 HydrophobicContact CG-CD2 3.49Å; R80-F110 VanDerWaalsContact CG-CD2 3.49Å; R80-F110 HydrophobicContact CG-CE2 3.62Å; R80-F110 HydrophobicContact CG-CG 4.05Å; R80-F110 HydrophobicContact CG-CZ 4.26Å | ||
| 81 | V | 86 | Confident | 86.4 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 111.7 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | S49 E51 E52 | S49-V81 WeakPolarHBondContact OG-CG2 3.32Å; E51-V81 HydrophobicContact CB-CG2 4.15Å; E51-V81 HydrophobicContact CG-CG2 4.48Å; E52-V81 PolarHBondContact OE1-N 2.91Å |
| 82 | G | 79 | Confident | 86.6 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 18 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R80 K84 D85 E86 | R80-G82 PolarHBondContact O-N 3.29Å; G82-K84 PolarHBondContact O-N 3.42Å; G82-K84 VanDerWaalsContact O-N 3.07Å; G82-D85 PolarHBondContact O-N 3.37Å; G82-E86 PolarHBondContact O-N 3.5Å |
| 83 | G | 70.7 | Confident | 86.7 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -24.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P107 | G83-P107 CarbonylContact C-O 3.51Å; G83-P107 WeakPolarHBondContact CA-O 3.47Å |
| 84 | K | 70.6 | Confident | 86.6 | Confident | 153 Ų | 153 | 59.6 Ų | 59.6 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -26.2 | 175.6 | -61.6 | -168.2 | 179.3 | 179.7 | 0 | 113.9 | G82 D108 | G82-K84 PolarHBondContact O-N 3.42Å; G82-K84 VanDerWaalsContact O-N 3.07Å; K84-D108 WeakPolarHBondContact CE-OD1 3.42Å; K84-D108 WeakPolarHBondContact CE-OD2 3.33Å; K84-D108 WeakPolarHBondContact CG-OD1 3.46Å; K84-D108 IonicContact NZ-OD2 2.69Å |
| 85 | D | 74.4 | Confident | 86.7 | Confident | 144 Ų | 144 | 59.6 Ų | 59.6 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -17.9 | -176 | -57.5 | -41.5 | 0 | 0 | 0 | 111.3 | G82 P87 | G82-D85 PolarHBondContact O-N 3.37Å; D85-P87 WeakPolarHBondContact O-CD 3.12Å |
| 86 | E | 76.4 | Confident | 86.5 | Confident | 117 Ų | 117 | 60.5 Ų | 60.5 | 55% | 0.547 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -87.3 | 116.9 | 178.6 | -163.3 | 176.4 | -170.2 | 0 | 0 | 111 | R80 G82 | R80-E86 IonicContact CZ-OE2 2.65Å; R80-E86 IonicContact NH2-OE2 3.96Å; R80-E86 PolarHBondContact NH2-OE2 2.85Å; G82-E86 PolarHBondContact O-N 3.5Å |
| 87 | P | 79.6 | Confident | 86 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 141.8 | 178.7 | 28 | -33.3 | 0 | 0 | 0 | 110.6 | D85 | D85-P87 WeakPolarHBondContact O-CD 3.12Š|
| 88 | F | 84.8 | Confident | 85.7 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 147.4 | 171.6 | -67.9 | -57.4 | 0 | 0 | 0 | 111.1 | H92 A93 I105 P107 | F88-H92 HydrophobicContact CB-CB 4.01Å; F88-H92 HydrophobicContact CD1-CB 4.37Å; F88-H92 HydrophobicContact CG-CB 4.45Å; F88-A93 HydrophobicContact CB-CB 4.32Å; F88-I105 HydrophobicContact CD1-CG2 4.23Å; F88-I105 HydrophobicContact CE1-CB 4.08Å; F88-I105 HydrophobicContact CE1-CG2 3.44Å; F88-I105 VanDerWaalsContact CE1-CG2 3.44Å; F88-I105 HydrophobicContact CZ-CB 4.32Å; F88-I105 HydrophobicContact CZ-CG2 4.01Å; F88-P107 HydrophobicContact CE1-CB 4.36Å; F88-P107 HydrophobicContact CZ-CB 3.8Å; F88-P107 HydrophobicContact CZ-CG 4.41Å |
| 89 | S | 87.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 65.3 Ų | 65.3 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 154.8 | 166.9 | 75.3 | 0 | 0 | 0 | 0 | 110.2 | V91 H92 A93 | S89-V91 PolarHBondContact O-N 2.96Å; S89-V91 VanDerWaalsContact O-N 3.15Å; S89-H92 PolarHBondContact O-N 2.81Å; S89-H92 VanDerWaalsContact O-N 3.08Å; S89-H92 WeakPolarHBondContact OG-CB 3.43Å; S89-H92 PolarHBondContact OG-N 3.32Å; S89-H92 VanDerWaalsContact OG-N 3.1Å; S89-H92 PolarHBondContact OG-ND1 3.44Å; S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.23Å |
| 90 | L | 87.3 | Confident | 85.5 | Confident | 155 Ų | 155 | 61.7 Ų | 61.7 | 81% | 0.812 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.4 | -37.2 | 178.7 | -176.5 | 65.2 | 0 | 0 | 0 | 112.1 | K94 | L90-K94 WeakPolarHBondContact O-CB 3.38Å; L90-K94 PolarHBondContact O-N 2.93Å; L90-K94 VanDerWaalsContact O-N 3.08Å |
| 91 | V | 90.6 | Very high | 85.4 | Confident | 25 Ų | 25 | 62 Ų | 62 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.3 | -43.8 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 111.2 | N20 S89 K94 Y95 D176 P177 L178 | N20-V91 HydrophobicContact CB-CG1 4.22Å; S89-V91 PolarHBondContact O-N 2.96Å; S89-V91 VanDerWaalsContact O-N 3.15Å; V91-K94 PolarHBondContact O-N 3.31Å; V91-Y95 WeakPolarHBondContact O-CB 3.28Å; V91-Y95 PolarHBondContact O-N 3.05Å; V91-D176 HydrophobicContact CG1-CB 3.87Å; V91-P177 HydrophobicContact CG1-CG 4.42Å; V91-L178 HydrophobicContact CG1-CD2 4.5Å |
| 92 | H | 93.5 | Very high | 85.6 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 176.7 | -71.1 | 158.4 | 0 | 0 | 0 | 112.9 | N20 F88 S89 K94 Y95 N96 I105 | N20-H92 PolarHBondContact O-NE2 2.9Å; F88-H92 HydrophobicContact CB-CB 4.01Å; F88-H92 HydrophobicContact CD1-CB 4.37Å; F88-H92 HydrophobicContact CG-CB 4.45Å; S89-H92 PolarHBondContact O-N 2.81Å; S89-H92 VanDerWaalsContact O-N 3.08Å; S89-H92 WeakPolarHBondContact OG-CB 3.43Å; S89-H92 PolarHBondContact OG-N 3.32Å; S89-H92 VanDerWaalsContact OG-N 3.1Å; S89-H92 PolarHBondContact OG-ND1 3.44Å; H92-K94 VanDerWaalsContact C-N 3.34Å; H92-Y95 PolarHBondContact O-N 3.48Å; H92-N96 WeakPolarHBondContact O-CB 3.36Å; H92-N96 PolarHBondContact O-N 3.43Å; H92-I105 HydrophobicContact CB-CD1 3.56Å |
| 93 | A | 89.3 | Confident | 86.2 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F88 S89 N96 S97 | F88-A93 HydrophobicContact CB-CB 4.32Å; S89-A93 WeakPolarHBondContact O-CB 3.42Å; S89-A93 PolarHBondContact O-N 3.23Å; A93-N96 PolarHBondContact O-N 3.49Å; A93-S97 PolarHBondContact O-N 3.37Å |
| 94 | K | 90.2 | Very high | 87.3 | Confident | 110 Ų | 110 | 58 Ų | 58 | 48% | 0.478 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.3 | -168.8 | 177.7 | -179.4 | -177.3 | 0 | 112.8 | L90 V91 H92 S97 M98 L178 | L90-K94 WeakPolarHBondContact O-CB 3.38Å; L90-K94 PolarHBondContact O-N 2.93Å; L90-K94 VanDerWaalsContact O-N 3.08Å; V91-K94 PolarHBondContact O-N 3.31Å; H92-K94 VanDerWaalsContact C-N 3.34Å; K94-S97 PolarHBondContact O-N 3.06Å; K94-S97 PolarHBondContact O-OG 3.03Å; K94-M98 HydrophobicContact CG-SD 4.22Å; K94-M98 WeakPolarHBondContact O-CG 3.37Å; K94-M98 PolarHBondContact O-N 3.42Å; K94-L178 HydrophobicContact CB-CD2 4.19Å; K94-L178 HydrophobicContact CD-CD1 4.18Å; K94-L178 HydrophobicContact CD-CD2 3.99Å; K94-L178 HydrophobicContact CG-CD2 3.97Å |
| 95 | Y | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | 172.5 | 163.1 | -93.7 | 0 | 0 | 0 | 110.9 | V91 H92 S97 M98 C99 M103 I105 L139 F141 P177 P179 I196 | V91-Y95 WeakPolarHBondContact O-CB 3.28Å; V91-Y95 PolarHBondContact O-N 3.05Å; H92-Y95 PolarHBondContact O-N 3.48Å; Y95-S97 VanDerWaalsContact C-N 3.27Å; Y95-S97 PolarHBondContact O-N 3.1Å; Y95-M98 PolarHBondContact O-N 3.37Å; Y95-C99 HydrophobicContact CD2-CB 4.31Å; Y95-C99 HydrophobicContact CE1-CB 4.22Å; Y95-C99 HydrophobicContact CE2-CB 3.82Å; Y95-C99 WeakPolarHBondContact O-CB 3.47Å; Y95-C99 PolarHBondContact O-N 3.48Å; Y95-C99 PolarHBondContact O-SG 2.95Å; Y95-M103 WeakPolarHBondContact CE1-O 3.39Å; Y95-M103 PolarHBondContact OH-O 2.94Å; Y95-I105 HydrophobicContact CD1-CD1 3.76Å; Y95-I105 HydrophobicContact CD1-CG1 3.91Å; Y95-I105 HydrophobicContact CE1-CD1 4.19Å; Y95-I105 HydrophobicContact CE1-CG1 3.82Å; Y95-L139 HydrophobicContact CD1-CD2 4.01Å; Y95-L139 HydrophobicContact CD2-CD2 4.39Å; Y95-L139 HydrophobicContact CE1-CD2 3.89Å; Y95-L139 HydrophobicContact CE2-CD2 4.27Å; Y95-L139 HydrophobicContact CG-CD2 4.27Å; Y95-F141 HydrophobicContact CD2-CZ 4.41Å; Y95-F141 AromaticContact CE2-CE1 3.81Å; Y95-F141 HydrophobicContact CE2-CE1 3.81Å; Y95-F141 AromaticContact CE2-CZ 3.6Å; Y95-F141 HydrophobicContact CE2-CZ 3.6Å; Y95-F141 AromaticContact CZ-CE1 3.86Å; Y95-F141 WeakPolarHBondContact OH-CE1 3.1Å; Y95-P177 WeakPolarHBondContact CD2-O 3.06Å; Y95-P179 HydrophobicContact CD2-CG 3.89Å; Y95-P179 HydrophobicContact CE2-CG 4.19Å; Y95-I196 HydrophobicContact CE2-CG2 3.91Å |
| 96 | N | 92 | Very high | 89.3 | Confident | 19 Ų | 19 | 45 Ų | 45 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -33.7 | 179.1 | -82.5 | -4.9 | 0 | 0 | 0 | 112.2 | H92 A93 M98 E104 I105 R199 | H92-N96 WeakPolarHBondContact O-CB 3.36Å; H92-N96 PolarHBondContact O-N 3.43Å; A93-N96 PolarHBondContact O-N 3.49Å; N96-M98 PolarHBondContact O-N 3.24Å; N96-E104 WeakPolarHBondContact OD1-CA 3.49Å; N96-I105 PolarHBondContact OD1-N 3.25Å; N96-R199 PolarHBondContact O-NH2 3.26Å |
| 97 | S | 86.4 | Confident | 90.1 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.2 | -15 | 177.2 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | A93 K94 Y95 R199 | A93-S97 PolarHBondContact O-N 3.37Å; K94-S97 PolarHBondContact O-N 3.06Å; K94-S97 PolarHBondContact O-OG 3.03Å; Y95-S97 VanDerWaalsContact C-N 3.27Å; Y95-S97 PolarHBondContact O-N 3.1Å; S97-R199 VanDerWaalsContact O-CZ 3.23Å; S97-R199 PolarHBondContact O-NH1 3.18Å; S97-R199 PolarHBondContact O-NH2 3.32Å |
| 98 | M | 89.5 | Confident | 90.6 | Very high | 67 Ų | 67 | 38 Ų | 38 | 33% | 0.33 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -115.6 | -26.5 | -175.1 | -64.2 | 178.1 | 66 | 0 | 0 | 114.9 | K94 Y95 N96 P179 R199 | K94-M98 HydrophobicContact CG-SD 4.22Å; K94-M98 WeakPolarHBondContact O-CG 3.37Å; K94-M98 PolarHBondContact O-N 3.42Å; Y95-M98 PolarHBondContact O-N 3.37Å; N96-M98 PolarHBondContact O-N 3.24Å; M98-P179 HydrophobicContact CB-CB 3.89Å; M98-P179 HydrophobicContact CB-CG 3.68Å; M98-P179 WeakPolarHBondContact CE-O 3.32Å; M98-R199 PolarHBondContact O-N 2.76Å |
| 99 | C | 91.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -79.1 | 161.2 | -174 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | Y95 P179 R199 | Y95-C99 HydrophobicContact CD2-CB 4.31Å; Y95-C99 HydrophobicContact CE1-CB 4.22Å; Y95-C99 HydrophobicContact CE2-CB 3.82Å; Y95-C99 WeakPolarHBondContact O-CB 3.47Å; Y95-C99 PolarHBondContact O-N 3.48Å; Y95-C99 PolarHBondContact O-SG 2.95Å; C99-P179 HydrophobicContact CB-CG 3.75Å; C99-R199 PolarHBondContact O-NE 2.81Å; C99-R199 PolarHBondContact O-NH2 3.43Å; C99-R199 VanDerWaalsContact O-NH2 3.16Å |
| 100 | P | 90.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | trans | -57.5 | 143.6 | 168.8 | -23.7 | 32.3 | 0 | 0 | 0 | 111.4 | A102 M103 E104 P197 W292 | P100-A102 PolarHBondContact O-N 3.49Å; P100-A102 VanDerWaalsContact O-N 3.11Å; P100-M103 WeakPolarHBondContact O-CA 3.47Å; P100-M103 PolarHBondContact O-N 2.88Å; P100-E104 PolarHBondContact O-N 3.41Å; P100-P197 WeakPolarHBondContact CD-O 3.47Å; P100-P197 HydrophobicContact CG-CB 3.97Å; P100-W292 HydrophobicContact CB-CH2 3.67Å; P100-W292 HydrophobicContact CB-CZ2 3.92Å; P100-W292 HydrophobicContact CG-CH2 3.96Å; P100-W292 HydrophobicContact CG-CZ2 4.03Å | ||
| 101 | F | 89.8 | Confident | 92 | Very high | 36 Ų | 36 | 26.6 Ų | 26.6 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -55.7 | -34.9 | -177 | -64.4 | -53.7 | 0 | 0 | 0 | 113.8 | M103 E104 R295 F475 R479 E483 | F101-M103 PolarHBondContact O-N 3.4Å; F101-E104 WeakPolarHBondContact CD1-OE1 3.34Å; F101-E104 PolarHBondContact O-N 3.32Å; F101-R295 HydrophobicContact CB-CB 4.39Å; F101-R295 WeakPolarHBondContact O-CD 3.42Å; F101-F475 HydrophobicContact CB-CE1 4.47Å; F101-R479 HydrophobicContact CD1-CG 4.33Å; F101-R479 HydrophobicContact CE1-CB 4.41Å; F101-R479 HydrophobicContact CE1-CG 4.16Å; F101-R479 HydrophobicContact CE2-CB 4.17Å; F101-R479 HydrophobicContact CZ-CB 4.03Å; F101-R479 HydrophobicContact CZ-CG 4.28Å; F101-E483 HydrophobicContact CZ-CG 4.5Å; F101-E483 VanDerWaalsContact CZ-OE1 3.27Å; F101-E483 WeakPolarHBondContact CZ-OE1 3.02Å |
| 102 | A | 90.9 | Very high | 92.3 | Very high | 32 Ų | 32 | 25.4 Ų | 25.4 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -67.8 | -9.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P100 W292 R295 | P100-A102 PolarHBondContact O-N 3.49Å; P100-A102 VanDerWaalsContact O-N 3.11Å; A102-W292 HydrophobicContact CB-CE3 3.53Å; A102-W292 HydrophobicContact CB-CH2 4.21Å; A102-W292 HydrophobicContact CB-CZ3 3.37Å; A102-R295 HydrophobicContact CB-CB 4.44Å |
| 103 | M | 92.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -115.1 | 6 | 177.6 | -69.9 | -178.9 | 60.7 | 0 | 0 | 113.7 | Y95 P100 F101 P140 F141 I196 P197 V225 H226 W292 | Y95-M103 WeakPolarHBondContact CE1-O 3.39Å; Y95-M103 PolarHBondContact OH-O 2.94Å; P100-M103 WeakPolarHBondContact O-CA 3.47Å; P100-M103 PolarHBondContact O-N 2.88Å; F101-M103 PolarHBondContact O-N 3.4Å; M103-P140 HydrophobicContact CB-CG 4.37Å; M103-P140 WeakPolarHBondContact O-CG 3.47Å; M103-F141 HydrophobicContact CE-CD1 3.82Å; M103-F141 HydrophobicContact CE-CE1 3.57Å; M103-I196 HydrophobicContact CE-CG2 4.5Å; M103-P197 HydrophobicContact SD-CG 4.09Å; M103-V225 HydrophobicContact CE-CG2 3.65Å; M103-H226 HydrophobicContact CE-CB 4.08Å; M103-H226 HydrophobicContact CG-CB 4.39Å; M103-H226 HydrophobicContact SD-CB 4.11Å; M103-H226 VanDerWaalsContact SD-CG 3.6Å; M103-H226 PolarHBondContact SD-ND1 3.16Å; M103-W292 HydrophobicContact CG-CH2 3.64Å; M103-W292 HydrophobicContact CG-CZ3 3.7Å; M103-W292 HydrophobicContact SD-CH2 3.72Å; M103-W292 HydrophobicContact SD-CZ3 4.28Å |
| 104 | E | 93 | Very high | 92.8 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | trans | -58.8 | 142.7 | 175.1 | -75.4 | -179.7 | 156.9 | 0 | 0 | 110.8 | N96 P100 F101 D106 R295 R479 | N96-E104 WeakPolarHBondContact OD1-CA 3.49Å; P100-E104 PolarHBondContact O-N 3.41Å; F101-E104 WeakPolarHBondContact CD1-OE1 3.34Å; F101-E104 PolarHBondContact O-N 3.32Å; E104-D106 PolarHBondContact O-N 3.16Å; E104-R295 IonicContact OE2-CZ 2.8Å; E104-R295 IonicContact OE2-NH1 3.28Å; E104-R295 PolarHBondContact OE2-NH1 3.17Å; E104-R479 VanDerWaalsContact CD-NH2 3.27Å; E104-R479 IonicContact OE1-CZ 3.97Å; E104-R479 IonicContact OE1-NH2 2.89Å; E104-R479 PolarHBondContact OE1-NH2 3.03Å; E104-R479 IonicContact OE2-CZ 2.91Å; E104-R479 IonicContact OE2-NH2 2.9Å; E104-R479 PolarHBondContact OE2-NH2 3.39Å | ||
| 105 | I | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.015 | 10% | 0.098 | C | C | . | . | trans | -59.8 | 131.2 | 172.9 | -65.3 | 165.7 | 0 | 0 | 0 | 108.5 | F88 H92 Y95 N96 P107 L139 | F88-I105 HydrophobicContact CD1-CG2 4.23Å; F88-I105 HydrophobicContact CE1-CB 4.08Å; F88-I105 HydrophobicContact CE1-CG2 3.44Å; F88-I105 VanDerWaalsContact CE1-CG2 3.44Å; F88-I105 HydrophobicContact CZ-CB 4.32Å; F88-I105 HydrophobicContact CZ-CG2 4.01Å; H92-I105 HydrophobicContact CB-CD1 3.56Å; Y95-I105 HydrophobicContact CD1-CD1 3.76Å; Y95-I105 HydrophobicContact CD1-CG1 3.91Å; Y95-I105 HydrophobicContact CE1-CD1 4.19Å; Y95-I105 HydrophobicContact CE1-CG1 3.82Å; N96-I105 PolarHBondContact OD1-N 3.25Å; I105-P107 WeakPolarHBondContact O-CD 3.43Å; I105-L139 HydrophobicContact CD1-CD2 3.88Å; I105-L139 HydrophobicContact CG1-CD2 4.02Å | ||
| 106 | D | 92.4 | Very high | 93.1 | Very high | 23 Ų | 23 | 17.4 Ų | 17.4 | 12% | 0.123 | 10% | 0.098 | C | C | . | . | trans | -83.5 | 114.6 | 173.7 | -167.2 | -20.5 | 0 | 0 | 0 | 108.7 | R77 E104 D108 F109 | R77-D106 IonicContact NH1-OD2 3.52Å; R77-D106 PolarHBondContact NH1-OD2 3.01Å; E104-D106 PolarHBondContact O-N 3.16Å; D106-D108 PolarHBondContact O-N 2.99Å; D106-D108 PolarHBondContact OD1-N 3.47Å; D106-F109 HydrophobicContact CB-CB 4.37Å; D106-F109 PolarHBondContact O-N 2.83Å; D106-F109 VanDerWaalsContact O-O 3.06Å; D106-F109 WeakPolarHBondContact OD2-CD2 3.48Å | ||
| 107 | P | 92.1 | Very high | 93 | Very high | 38 Ų | 38 | 18.7 Ų | 18.7 | 25% | 0.247 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.4 | 179.5 | 26.8 | -33.5 | 0 | 0 | 0 | 111.9 | R80 G83 F88 I105 | R80-P107 WeakPolarHBondContact CD-O 3.38Å; R80-P107 PolarHBondContact NH1-O 3.29Å; G83-P107 CarbonylContact C-O 3.51Å; G83-P107 WeakPolarHBondContact CA-O 3.47Å; F88-P107 HydrophobicContact CE1-CB 4.36Å; F88-P107 HydrophobicContact CZ-CB 3.8Å; F88-P107 HydrophobicContact CZ-CG 4.41Å; I105-P107 WeakPolarHBondContact O-CD 3.43Å |
| 108 | D | 91.9 | Very high | 93.2 | Very high | 42 Ų | 42 | 18.1 Ų | 18.1 | 23% | 0.225 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -11.8 | -174.2 | -68.3 | -31.4 | 0 | 0 | 0 | 112.9 | R79 R80 K84 D106 | R79-D108 WeakPolarHBondContact CA-O 3.37Å; R80-D108 PolarHBondContact N-O 3.01Å; K84-D108 WeakPolarHBondContact CE-OD1 3.42Å; K84-D108 WeakPolarHBondContact CE-OD2 3.33Å; K84-D108 WeakPolarHBondContact CG-OD1 3.46Å; K84-D108 IonicContact NZ-OD2 2.69Å; D106-D108 PolarHBondContact O-N 2.99Å; D106-D108 PolarHBondContact OD1-N 3.47Å |
| 109 | F | 94.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 18.2 Ų | 18.2 | 4% | 0.044 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.7 | -172.5 | -70.1 | -88.5 | 0 | 0 | 0 | 113.8 | R77 I78 R79 D106 | R77-F109 HydrophobicContact CB-CB 4.35Å; R77-F109 HydrophobicContact CB-CD1 3.79Å; R77-F109 HydrophobicContact CB-CG 4.36Å; I78-F109 CarbonylContact O-C 3.54Å; I78-F109 VanDerWaalsContact O-CA 3.25Å; I78-F109 WeakPolarHBondContact O-CA 3.27Å; R79-F109 HydrophobicContact CB-CD1 4.18Å; R79-F109 HydrophobicContact CB-CE1 3.8Å; R79-F109 HydrophobicContact CB-CZ 4.42Å; R79-F109 HydrophobicContact CG-CE1 4.34Å; R79-F109 HydrophobicContact CG-CZ 4.5Å; D106-F109 HydrophobicContact CB-CB 4.37Å; D106-F109 PolarHBondContact O-N 2.83Å; D106-F109 VanDerWaalsContact O-O 3.06Å; D106-F109 WeakPolarHBondContact OD2-CD2 3.48Å |
| 110 | F | 96 | Very high | 93 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 149.4 | 156.8 | -70.4 | -60.9 | 0 | 0 | 0 | 110.8 | H23 L48 R77 I78 R80 I136 S138 | H23-F110 HydrophobicContact CB-CE1 4.4Å; L48-F110 HydrophobicContact CD2-CE2 4.17Å; R77-F110 CarbonylContact C-O 3.55Å; R77-F110 VanDerWaalsContact CA-O 3.24Å; R77-F110 WeakPolarHBondContact CA-O 3.33Å; I78-F110 HydrophobicContact CB-CB 4.38Å; I78-F110 PolarHBondContact N-O 3.46Å; I78-F110 PolarHBondContact O-N 3.12Å; R80-F110 HydrophobicContact CG-CD2 3.49Å; R80-F110 VanDerWaalsContact CG-CD2 3.49Å; R80-F110 HydrophobicContact CG-CE2 3.62Å; R80-F110 HydrophobicContact CG-CG 4.05Å; R80-F110 HydrophobicContact CG-CZ 4.26Å; F110-I136 HydrophobicContact CB-CG2 3.76Å; F110-I136 HydrophobicContact CD1-CG2 4.21Å; F110-I136 HydrophobicContact CD2-CG2 4.17Å; F110-I136 HydrophobicContact CG-CG2 3.82Å; F110-S138 WeakPolarHBondContact CE1-OG 3.47Å |
| 111 | Y | 97.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 26.6 Ų | 26.6 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.7 | 161.2 | -72.2 | -94.7 | 0 | 0 | 0 | 109.2 | R77 I136 T137 P140 I142 F300 | R77-Y111 HydrophobicContact CG-CD1 4.27Å; R77-Y111 HydrophobicContact CG-CE1 4.2Å; Y111-I136 WeakPolarHBondContact O-CA 3.43Å; Y111-T137 PolarHBondContact N-O 3.02Å; Y111-T137 PolarHBondContact O-N 3.22Å; Y111-P140 HydrophobicContact CD2-CB 4.28Å; Y111-P140 HydrophobicContact CE1-CB 4.3Å; Y111-P140 HydrophobicContact CE2-CB 3.66Å; Y111-I142 HydrophobicContact CD1-CD1 3.75Å; Y111-I142 HydrophobicContact CE1-CD1 3.79Å; Y111-F300 HydrophobicContact CE1-CZ 4.45Å |
| 112 | A | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | H75 F76 I78 V134 L135 I136 | H75-A112 CarbonylContact C-O 3.58Å; H75-A112 WeakPolarHBondContact CA-O 3.5Å; H75-A112 WeakPolarHBondContact CB-O 3.33Å; F76-A112 HydrophobicContact CD2-CB 3.73Å; F76-A112 HydrophobicContact CE1-CB 4.35Å; F76-A112 HydrophobicContact CE2-CB 3.36Å; F76-A112 HydrophobicContact CG-CB 4.37Å; F76-A112 HydrophobicContact CZ-CB 3.71Å; F76-A112 PolarHBondContact N-O 3.28Å; F76-A112 PolarHBondContact O-N 2.96Å; I78-A112 HydrophobicContact CD1-CB 3.73Å; I78-A112 HydrophobicContact CG1-CB 4.11Å; A112-V134 HydrophobicContact CB-CG1 4.11Å; A112-L135 CarbonylContact C-O 3.57Å; A112-L135 VanDerWaalsContact CA-O 3.29Å; A112-L135 WeakPolarHBondContact CA-O 3.5Å; A112-I136 HydrophobicContact CB-CG1 4.23Å |
| 113 | F | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.6 | 178.8 | -62 | -96 | 0 | 0 | 0 | 108 | F74 H75 V134 L135 T137 I142 Y145 R146 L149 | F74-F113 CarbonylContact O-C 3.59Å; F74-F113 WeakPolarHBondContact O-CA 3.21Å; H75-F113 HydrophobicContact CB-CD1 3.57Å; H75-F113 HydrophobicContact CB-CE1 3.73Å; H75-F113 HydrophobicContact CB-CG 4.16Å; H75-F113 HydrophobicContact CB-CZ 4.45Å; F113-V134 CarbonylContact O-C 3.53Å; F113-V134 WeakPolarHBondContact O-CA 3.5Å; F113-L135 HydrophobicContact CB-CB 4.46Å; F113-L135 HydrophobicContact CD2-CD2 4.13Å; F113-L135 PolarHBondContact N-O 3.17Å; F113-L135 PolarHBondContact O-N 2.95Å; F113-T137 HydrophobicContact CD2-CG2 4.41Å; F113-T137 HydrophobicContact CE2-CG2 3.93Å; F113-I142 HydrophobicContact CE1-CD1 4.4Å; F113-I142 HydrophobicContact CE1-CG2 4.2Å; F113-I142 WeakPolarHBondContact CE1-O 3.39Å; F113-I142 HydrophobicContact CZ-CD1 4.01Å; F113-Y145 HydrophobicContact CD2-CD2 4.28Å; F113-Y145 HydrophobicContact CD2-CG 4.1Å; F113-Y145 AromaticContact CE2-CD2 3.54Å; F113-Y145 HydrophobicContact CE2-CD2 3.54Å; F113-Y145 AromaticContact CE2-CG 3.81Å; F113-Y145 HydrophobicContact CE2-CG 3.81Å; F113-Y145 AromaticContact CZ-CD2 3.84Å; F113-Y145 HydrophobicContact CZ-CD2 3.84Å; F113-Y145 HydrophobicContact CZ-CG 4.23Å; F113-R146 HydrophobicContact CD1-CG 3.93Å; F113-R146 HydrophobicContact CE1-CG 4.12Å; F113-L149 HydrophobicContact CB-CD2 3.81Å; F113-L149 WeakPolarHBondContact O-CD2 3.47Å |
| 114 | A | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | A60 L73 F74 F76 V134 | A60-A114 HydrophobicContact CB-CB 4.16Å; L73-A114 WeakPolarHBondContact CA-O 3.48Å; F74-A114 HydrophobicContact CE1-CB 4.42Å; F74-A114 HydrophobicContact CE2-CB 4.13Å; F74-A114 HydrophobicContact CZ-CB 4.07Å; F74-A114 PolarHBondContact N-O 2.99Å; F74-A114 PolarHBondContact O-N 3.38Å; F76-A114 HydrophobicContact CE1-CB 3.8Å; A114-V134 HydrophobicContact CB-CG2 4.05Å |
| 115 | F | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 104.6 | 162.8 | -171.4 | -71.9 | 0 | 0 | 0 | 108.1 | D71 A72 L73 R117 S132 V133 L149 S153 P154 F157 I237 | D71-F115 HydrophobicContact CB-CE1 3.75Å; D71-F115 HydrophobicContact CB-CE2 4.41Å; D71-F115 HydrophobicContact CB-CZ 3.55Å; D71-F115 VanDerWaalsContact CG-CE1 3.49Å; D71-F115 VanDerWaalsContact CG-CZ 3.48Å; D71-F115 VanDerWaalsContact OD2-CZ 3.32Å; D71-F115 WeakPolarHBondContact OD2-CZ 3.46Å; A72-F115 CarbonylContact O-C 3.54Å; A72-F115 WeakPolarHBondContact O-CA 3.25Å; L73-F115 HydrophobicContact CB-CD2 4.32Å; L73-F115 HydrophobicContact CD1-CB 4.27Å; L73-F115 HydrophobicContact CD1-CD2 4.39Å; F115-R117 HydrophobicContact CE1-CB 4.44Å; F115-S132 CarbonylContact O-C 3.46Å; F115-S132 WeakPolarHBondContact O-CA 3.36Å; F115-V133 PolarHBondContact N-O 2.89Å; F115-V133 PolarHBondContact O-N 3.45Å; F115-L149 HydrophobicContact CB-CD2 3.98Å; F115-L149 HydrophobicContact CB-CG 4Å; F115-S153 VanDerWaalsContact CB-CB 3.49Å; F115-S153 VanDerWaalsContact CB-OG 3.26Å; F115-S153 WeakPolarHBondContact CB-OG 3.41Å; F115-P154 HydrophobicContact CE2-CG 3.94Å; F115-P154 HydrophobicContact CZ-CG 3.82Å; F115-F157 AromaticContact CD1-CE2 3.76Å; F115-F157 HydrophobicContact CD1-CE2 3.76Å; F115-F157 HydrophobicContact CD1-CZ 4.36Å; F115-F157 AromaticContact CE1-CE2 3.73Å; F115-F157 HydrophobicContact CE1-CE2 3.73Å; F115-I237 HydrophobicContact CD2-CD1 4.11Å; F115-I237 HydrophobicContact CE2-CD1 3.38Å; F115-I237 HydrophobicContact CE2-CG1 4.04Å; F115-I237 HydrophobicContact CE2-CG2 4.37Å; F115-I237 HydrophobicContact CZ-CD1 3.98Å; F115-I237 HydrophobicContact CZ-CG2 4.17Å |
| 116 | F | 93.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.7 | 176.9 | 171.7 | -105.5 | 0 | 0 | 0 | 110.2 | F61 P62 F68 D71 A72 F74 Q118 Q130 S132 | F61-F116 AromaticContact CD1-CD2 3.97Å; F61-F116 HydrophobicContact CD1-CD2 3.97Å; F61-F116 AromaticContact CD1-CE2 3.43Å; F61-F116 HydrophobicContact CD1-CE2 3.43Å; F61-F116 VanDerWaalsContact CD1-CE2 3.43Å; F61-F116 HydrophobicContact CD1-CZ 4.36Å; F61-F116 HydrophobicContact CE1-CD2 4.14Å; F61-F116 AromaticContact CE1-CE2 3.62Å; F61-F116 HydrophobicContact CE1-CE2 3.62Å; F61-F116 HydrophobicContact CG-CD2 4.37Å; F61-F116 HydrophobicContact CG-CE2 4.22Å; P62-F116 VanDerWaalsContact CD-CD1 3.48Å; P62-F116 HydrophobicContact CG-CD1 3.49Å; P62-F116 VanDerWaalsContact CG-CD1 3.49Å; P62-F116 HydrophobicContact CG-CE1 3.69Å; P62-F116 HydrophobicContact CG-CG 4.02Å; P62-F116 HydrophobicContact CG-CZ 4.36Å; F68-F116 HydrophobicContact CD1-CD1 4.24Å; F68-F116 AromaticContact CD1-CE1 3.85Å; F68-F116 HydrophobicContact CD1-CE1 3.85Å; F68-F116 AromaticContact CE1-CD1 3.83Å; F68-F116 HydrophobicContact CE1-CD1 3.83Å; F68-F116 AromaticContact CE1-CE1 3.86Å; F68-F116 HydrophobicContact CE1-CE1 3.86Å; D71-F116 CarbonylContact C-O 3.51Å; D71-F116 VanDerWaalsContact CA-O 3.27Å; D71-F116 WeakPolarHBondContact CA-O 3.24Å; A72-F116 PolarHBondContact N-O 3.1Å; A72-F116 PolarHBondContact O-N 3.22Å; F74-F116 HydrophobicContact CE1-CB 4.04Å; F116-Q118 HydrophobicContact CE1-CB 3.61Å; F116-Q118 HydrophobicContact CZ-CB 3.69Å; F116-Q130 HydrophobicContact CE2-CB 4.03Å; F116-Q130 HydrophobicContact CE2-CG 4.27Å; F116-Q130 HydrophobicContact CZ-CB 4.34Å; F116-Q130 HydrophobicContact CZ-CG 4.08Å; F116-S132 WeakPolarHBondContact CA-OG 3.35Å; F116-S132 WeakPolarHBondContact CB-OG 3.41Å; F116-S132 WeakPolarHBondContact CD2-OG 3.22Å |
| 117 | R | 91.4 | Very high | 90.9 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.5 | 172.8 | 172.6 | 164.3 | -72.6 | 175.5 | 2.4 | 110.2 | D71 F115 V119 F129 Q130 K131 F157 | D71-R117 WeakPolarHBondContact OD1-CB 3.34Å; D71-R117 VanDerWaalsContact OD1-CG 3.3Å; D71-R117 WeakPolarHBondContact OD1-CG 3.43Å; D71-R117 IonicContact OD1-CZ 3.59Å; D71-R117 IonicContact OD1-NE 3.9Å; D71-R117 PolarHBondContact OD1-NE 3.33Å; D71-R117 IonicContact OD1-NH2 2.84Å; D71-R117 IonicContact OD2-CZ 2.72Å; D71-R117 IonicContact OD2-NE 3.61Å; D71-R117 IonicContact OD2-NH2 2.82Å; D71-R117 PolarHBondContact OD2-NH2 3.44Å; F115-R117 HydrophobicContact CE1-CB 4.44Å; R117-V119 HydrophobicContact CG-CG2 3.78Å; R117-F129 HydrophobicContact CG-CD1 4.44Å; R117-F129 HydrophobicContact CG-CE1 4.34Å; R117-Q130 WeakPolarHBondContact O-CA 3.27Å; R117-K131 PolarHBondContact N-O 3.34Å; R117-K131 PolarHBondContact O-N 2.85Å; R117-K131 VanDerWaalsContact O-N 3.14Å; R117-F157 HydrophobicContact CB-CD2 4.45Å; R117-F157 HydrophobicContact CB-CE1 4.12Å; R117-F157 HydrophobicContact CB-CE2 3.73Å; R117-F157 HydrophobicContact CB-CZ 3.53Å; R117-F157 HydrophobicContact CG-CE2 4.45Å; R117-F157 HydrophobicContact CG-CZ 4.43Å |
| 118 | Q | 89.7 | Confident | 90.6 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.3 | 169.9 | 179.5 | 167.3 | -14.6 | 0 | 0 | 111.5 | F68 G70 F116 Y128 F129 Q130 | F68-Q118 VanDerWaalsContact O-CD 3.26Å; F68-Q118 PolarHBondContact O-NE2 3.11Å; F68-Q118 PolarHBondContact O-OE1 3.3Å; G70-Q118 PolarHBondContact N-O 3.28Å; G70-Q118 PolarHBondContact O-N 2.89Å; F116-Q118 HydrophobicContact CE1-CB 3.61Å; F116-Q118 HydrophobicContact CZ-CB 3.69Å; Q118-Y128 HydrophobicContact CG-CD1 4.35Å; Q118-F129 VanDerWaalsContact CA-O 3.29Å; Q118-F129 WeakPolarHBondContact CA-O 3.47Å; Q118-Q130 HydrophobicContact CB-CG 4.19Å; Q118-Q130 VanDerWaalsContact CD-NE2 3.27Å; Q118-Q130 HydrophobicContact CG-CG 3.88Å |
| 119 | V | 88.8 | Confident | 90.4 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 42% | 0.418 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.5 | 179.4 | -173 | 0 | 0 | 0 | 0 | 109 | R117 D121 Y128 F129 | R117-V119 HydrophobicContact CG-CG2 3.78Å; V119-D121 PolarHBondContact O-N 3.02Å; V119-Y128 CarbonylContact O-C 3.59Å; V119-Y128 VanDerWaalsContact O-CA 3.3Å; V119-Y128 WeakPolarHBondContact O-CA 3.44Å; V119-F129 PolarHBondContact N-O 3.48Å; V119-F129 PolarHBondContact O-N 3.38Å |
| 120 | K | 87.6 | Confident | 90.2 | Very high | 139 Ų | 139 | 51.4 Ų | 51.4 | 60% | 0.604 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 127.9 | 170.6 | -77.7 | -177.7 | 179.5 | -175.5 | 0 | 109.3 | L69 Y128 | L69-K120 HydrophobicContact CD2-CG 3.95Å; K120-Y128 HydrophobicContact CB-CD1 4.47Å; K120-Y128 HydrophobicContact CB-CE1 4.46Å; K120-Y128 HydrophobicContact CD-CE1 4.36Å; K120-Y128 HydrophobicContact CG-CD1 3.84Å; K120-Y128 HydrophobicContact CG-CE1 3.41Å; K120-Y128 VanDerWaalsContact CG-CE1 3.41Å |
| 121 | D | 88 | Confident | 90.1 | Very high | 51 Ų | 51 | 52.4 Ų | 52.4 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | trans | -143 | 98.4 | 174.8 | -173.9 | -11.3 | 0 | 0 | 0 | 108.2 | V119 S123 L124 G127 Y128 F129 | V119-D121 PolarHBondContact O-N 3.02Å; D121-S123 PolarHBondContact O-N 3.37Å; D121-S123 WeakPolarHBondContact OD1-CB 3.48Å; D121-S123 PolarHBondContact OD1-N 3.17Å; D121-S123 PolarHBondContact OD1-OG 3.05Å; D121-S123 PolarHBondContact OD2-OG 2.89Å; D121-L124 HydrophobicContact CB-CD1 4.02Å; D121-L124 HydrophobicContact CB-CG 4.25Å; D121-L124 PolarHBondContact O-N 3.33Å; D121-G127 CarbonylContact C-O 3.36Å; D121-G127 PolarHBondContact N-O 3.23Å; D121-G127 CarbonylContact O-C 3.46Å; D121-G127 WeakPolarHBondContact O-CA 3.19Å; D121-Y128 PolarHBondContact O-N 2.85Å; D121-F129 HydrophobicContact CB-CB 4.16Å | ||
| 122 | S | 90.1 | Very high | 90 | Very high | 123 Ų | 123 | 51.6 Ų | 51.6 | 86% | 0.86 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11 | -178.7 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | L124 | S122-L124 VanDerWaalsContact C-N 3.32Š|
| 123 | S | 89.2 | Confident | 90 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 67% | 0.671 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -22.7 | 175 | 75 | 0 | 0 | 0 | 0 | 112.3 | D121 | D121-S123 PolarHBondContact O-N 3.37Å; D121-S123 WeakPolarHBondContact OD1-CB 3.48Å; D121-S123 PolarHBondContact OD1-N 3.17Å; D121-S123 PolarHBondContact OD1-OG 3.05Å; D121-S123 PolarHBondContact OD2-OG 2.89Å |
| 124 | L | 84.5 | Confident | 90 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 34% | 0.34 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -85.6 | 143.3 | 177.3 | -63.2 | 175.5 | 0 | 0 | 0 | 110.4 | D121 S122 R126 G127 F129 | D121-L124 HydrophobicContact CB-CD1 4.02Å; D121-L124 HydrophobicContact CB-CG 4.25Å; D121-L124 PolarHBondContact O-N 3.33Å; S122-L124 VanDerWaalsContact C-N 3.32Å; L124-R126 PolarHBondContact O-N 2.8Å; L124-G127 PolarHBondContact O-N 2.89Å; L124-F129 HydrophobicContact CD1-CB 3.95Å; L124-F129 HydrophobicContact CD1-CD2 4.38Å |
| 125 | P | 80.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 51.6 Ų | 51.6 | 77% | 0.773 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.1 | -177 | -22.9 | 30.3 | 0 | 0 | 0 | 114.1 | L32 | L32-P125 HydrophobicContact CD1-CB 3.72Å; L32-P125 HydrophobicContact CD1-CG 3.82Å |
| 126 | R | 81.4 | Confident | 90.2 | Very high | 120 Ų | 120 | 51.6 Ų | 51.6 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -12.3 | 177.5 | -151.3 | 169.8 | 179.3 | -141 | -1.7 | 114.1 | L32 L124 Y128 | L32-R126 HydrophobicContact CD2-CB 4.12Å; L32-R126 HydrophobicContact CD2-CG 4.28Å; L124-R126 PolarHBondContact O-N 2.8Å; R126-Y128 WeakPolarHBondContact O-CD2 3.4Å; R126-Y128 PolarHBondContact O-N 2.83Å |
| 127 | G | 85.3 | Confident | 90.4 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 76.2 | 3.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | D121 L124 | D121-G127 CarbonylContact C-O 3.36Å; D121-G127 PolarHBondContact N-O 3.23Å; D121-G127 CarbonylContact O-C 3.46Å; D121-G127 WeakPolarHBondContact O-CA 3.19Å; L124-G127 PolarHBondContact O-N 2.89Å |
| 128 | Y | 85.8 | Confident | 90.6 | Very high | 86 Ų | 86 | 50.1 Ų | 50.1 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 138.4 | -180 | -59.6 | -87.4 | 0 | 0 | 0 | 111.5 | L69 Q118 V119 K120 D121 R126 | L69-Y128 HydrophobicContact CD2-CD1 4.12Å; L69-Y128 HydrophobicContact CD2-CE1 3.91Å; Q118-Y128 HydrophobicContact CG-CD1 4.35Å; V119-Y128 CarbonylContact O-C 3.59Å; V119-Y128 VanDerWaalsContact O-CA 3.3Å; V119-Y128 WeakPolarHBondContact O-CA 3.44Å; K120-Y128 HydrophobicContact CB-CD1 4.47Å; K120-Y128 HydrophobicContact CB-CE1 4.46Å; K120-Y128 HydrophobicContact CD-CE1 4.36Å; K120-Y128 HydrophobicContact CG-CD1 3.84Å; K120-Y128 HydrophobicContact CG-CE1 3.41Å; K120-Y128 VanDerWaalsContact CG-CE1 3.41Å; D121-Y128 PolarHBondContact O-N 2.85Å; R126-Y128 WeakPolarHBondContact O-CD2 3.4Å; R126-Y128 PolarHBondContact O-N 2.83Å |
| 129 | F | 87.8 | Confident | 90.9 | Very high | 58 Ų | 58 | 48.7 Ų | 48.7 | 25% | 0.254 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 130.3 | 163.1 | 173.5 | -94.3 | 0 | 0 | 0 | 109.2 | R117 Q118 V119 D121 L124 K131 F157 | R117-F129 HydrophobicContact CG-CD1 4.44Å; R117-F129 HydrophobicContact CG-CE1 4.34Å; Q118-F129 VanDerWaalsContact CA-O 3.29Å; Q118-F129 WeakPolarHBondContact CA-O 3.47Å; V119-F129 PolarHBondContact N-O 3.48Å; V119-F129 PolarHBondContact O-N 3.38Å; D121-F129 HydrophobicContact CB-CB 4.16Å; L124-F129 HydrophobicContact CD1-CB 3.95Å; L124-F129 HydrophobicContact CD1-CD2 4.38Å; F129-K131 HydrophobicContact CE1-CB 3.77Å; F129-K131 HydrophobicContact CE2-CB 4.28Å; F129-K131 HydrophobicContact CZ-CB 3.53Å; F129-K131 HydrophobicContact CZ-CD 3.9Å; F129-K131 HydrophobicContact CZ-CG 4.3Å; F129-F157 HydrophobicContact CE1-CD1 4.04Å; F129-F157 HydrophobicContact CE1-CE1 4.02Å; F129-F157 HydrophobicContact CZ-CD1 4.11Å; F129-F157 HydrophobicContact CZ-CE1 4.21Å |
| 130 | Q | 89.7 | Confident | 91.2 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 121.3 | 176.7 | -68.5 | -175.9 | -44.4 | 0 | 0 | 110.9 | F30 F61 F116 R117 Q118 | F30-Q130 HydrophobicContact CB-CB 4.25Å; F30-Q130 PolarHBondContact N-O 2.95Å; F61-Q130 HydrophobicContact CE1-CB 3.96Å; F116-Q130 HydrophobicContact CE2-CB 4.03Å; F116-Q130 HydrophobicContact CE2-CG 4.27Å; F116-Q130 HydrophobicContact CZ-CB 4.34Å; F116-Q130 HydrophobicContact CZ-CG 4.08Å; R117-Q130 WeakPolarHBondContact O-CA 3.27Å; Q118-Q130 HydrophobicContact CB-CG 4.19Å; Q118-Q130 VanDerWaalsContact CD-NE2 3.27Å; Q118-Q130 HydrophobicContact CG-CG 3.88Å |
| 131 | K | 93.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 142.2 | -178.8 | -175.5 | 175.9 | -63.8 | -148.3 | 0 | 110.4 | V27 I28 T29 E39 R117 F129 Y156 F157 | V27-K131 HydrophobicContact CG1-CD 3.62Å; V27-K131 HydrophobicContact CG1-CG 3.7Å; I28-K131 CarbonylContact O-C 3.39Å; I28-K131 WeakPolarHBondContact O-CA 3.49Å; T29-K131 HydrophobicContact CG2-CD 4.19Å; T29-K131 HydrophobicContact CG2-CG 4.09Å; E39-K131 IonicContact OE1-NZ 3.34Å; E39-K131 PolarHBondContact OE1-NZ 3.4Å; E39-K131 VanDerWaalsContact OE2-CE 3.25Å; E39-K131 WeakPolarHBondContact OE2-CE 3.25Å; E39-K131 IonicContact OE2-NZ 3.17Å; E39-K131 PolarHBondContact OE2-NZ 2.92Å; R117-K131 PolarHBondContact N-O 3.34Å; R117-K131 PolarHBondContact O-N 2.85Å; R117-K131 VanDerWaalsContact O-N 3.14Å; F129-K131 HydrophobicContact CE1-CB 3.77Å; F129-K131 HydrophobicContact CE2-CB 4.28Å; F129-K131 HydrophobicContact CZ-CB 3.53Å; F129-K131 HydrophobicContact CZ-CD 3.9Å; F129-K131 HydrophobicContact CZ-CG 4.3Å; K131-Y156 HydrophobicContact CD-CE1 4.36Å; K131-F157 HydrophobicContact CB-CE1 3.92Å; K131-F157 HydrophobicContact CD-CE1 4.03Å; K131-F157 HydrophobicContact CG-CE1 3.98Å |
| 132 | S | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.4 | 176.5 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | V27 I28 A60 F115 F116 | V27-S132 WeakPolarHBondContact CA-O 3.49Å; I28-S132 PolarHBondContact N-O 2.78Å; I28-S132 PolarHBondContact O-N 3.24Å; A60-S132 PolarHBondContact O-OG 2.93Å; F115-S132 CarbonylContact O-C 3.46Å; F115-S132 WeakPolarHBondContact O-CA 3.36Å; F116-S132 WeakPolarHBondContact CA-OG 3.35Å; F116-S132 WeakPolarHBondContact CB-OG 3.41Å; F116-S132 WeakPolarHBondContact CD2-OG 3.22Å |
| 133 | V | 97.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.2 | 164 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | F115 L149 Y156 F157 | F115-V133 PolarHBondContact N-O 2.89Å; F115-V133 PolarHBondContact O-N 3.45Å; V133-L149 HydrophobicContact CG1-CD1 4.1Å; V133-Y156 HydrophobicContact CG2-CD1 3.32Å; V133-Y156 HydrophobicContact CG2-CE1 3.79Å; V133-Y156 HydrophobicContact CG2-CG 3.95Å; V133-F157 HydrophobicContact CG2-CZ 4.16Å |
| 134 | V | 98 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.1 | -175 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | F25 C26 I28 A60 F76 A112 F113 A114 I136 | F25-V134 CarbonylContact C-O 3.52Å; F25-V134 VanDerWaalsContact CA-O 3.26Å; F25-V134 WeakPolarHBondContact CA-O 3.45Å; C26-V134 HydrophobicContact CB-CB 4.23Å; C26-V134 PolarHBondContact N-O 3.09Å; C26-V134 PolarHBondContact O-N 3.15Å; I28-V134 HydrophobicContact CD1-CG2 3.76Å; I28-V134 HydrophobicContact CG1-CG2 4.13Å; A60-V134 HydrophobicContact CB-CG2 3.64Å; F76-V134 HydrophobicContact CZ-CG1 4.34Å; A112-V134 HydrophobicContact CB-CG1 4.11Å; F113-V134 CarbonylContact O-C 3.53Å; F113-V134 WeakPolarHBondContact O-CA 3.5Å; A114-V134 HydrophobicContact CB-CG2 4.05Å; V134-I136 HydrophobicContact CG1-CG1 4.11Å |
| 135 | L | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.9 | 169.9 | -178.4 | 163.1 | 0 | 0 | 0 | 108.5 | I22 F25 A112 F113 T137 Y145 I148 L149 | I22-L135 HydrophobicContact CD1-CD1 3.84Å; I22-L135 HydrophobicContact CD1-CG 4.37Å; I22-L135 HydrophobicContact CG1-CD1 4.18Å; I22-L135 HydrophobicContact CG1-CD2 4.37Å; I22-L135 HydrophobicContact CG1-CG 4.34Å; I22-L135 HydrophobicContact CG2-CD2 4.3Å; I22-L135 HydrophobicContact CG2-CG 3.98Å; F25-L135 HydrophobicContact CD1-CB 4.06Å; F25-L135 HydrophobicContact CD1-CG 4.38Å; F25-L135 HydrophobicContact CE1-CB 3.84Å; F25-L135 HydrophobicContact CE1-CD1 3.69Å; F25-L135 HydrophobicContact CE1-CG 3.86Å; F25-L135 HydrophobicContact CZ-CD1 3.89Å; F25-L135 HydrophobicContact CZ-CG 4.26Å; A112-L135 CarbonylContact C-O 3.57Å; A112-L135 VanDerWaalsContact CA-O 3.29Å; A112-L135 WeakPolarHBondContact CA-O 3.5Å; F113-L135 HydrophobicContact CB-CB 4.46Å; F113-L135 HydrophobicContact CD2-CD2 4.13Å; F113-L135 PolarHBondContact N-O 3.17Å; F113-L135 PolarHBondContact O-N 2.95Å; L135-T137 HydrophobicContact CD2-CG2 3.81Å; L135-Y145 HydrophobicContact CD1-CD1 3.64Å; L135-Y145 HydrophobicContact CD1-CE1 4.34Å; L135-Y145 HydrophobicContact CD1-CG 4.44Å; L135-Y145 HydrophobicContact CD2-CD1 3.57Å; L135-Y145 HydrophobicContact CD2-CE1 3.98Å; L135-Y145 HydrophobicContact CD2-CG 3.97Å; L135-Y145 HydrophobicContact CG-CD1 4.31Å; L135-I148 HydrophobicContact CD1-CG2 4.16Å; L135-L149 HydrophobicContact CB-CD1 4.28Å |
| 136 | I | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 134 | 177.4 | -58.9 | 178.7 | 0 | 0 | 0 | 109.2 | H23 C24 L48 A56 I78 F110 Y111 A112 V134 | H23-I136 HydrophobicContact CB-CG2 4.29Å; H23-I136 WeakPolarHBondContact CB-O 3.25Å; H23-I136 PolarHBondContact N-O 3.18Å; C24-I136 PolarHBondContact N-O 2.96Å; C24-I136 PolarHBondContact O-N 3.15Å; L48-I136 HydrophobicContact CD1-CD1 3.88Å; L48-I136 HydrophobicContact CD2-CD1 4.48Å; A56-I136 HydrophobicContact CB-CD1 4.46Å; I78-I136 HydrophobicContact CD1-CD1 3.95Å; I78-I136 HydrophobicContact CD1-CG1 4.34Å; F110-I136 HydrophobicContact CB-CG2 3.76Å; F110-I136 HydrophobicContact CD1-CG2 4.21Å; F110-I136 HydrophobicContact CD2-CG2 4.17Å; F110-I136 HydrophobicContact CG-CG2 3.82Å; Y111-I136 WeakPolarHBondContact O-CA 3.43Å; A112-I136 HydrophobicContact CB-CG1 4.23Å; V134-I136 HydrophobicContact CG1-CG1 4.11Å |
| 137 | T | 97.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 153.1 | -177.3 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | W21 Y111 F113 L135 L139 Y145 | W21-T137 PolarHBondContact O-OG1 3.35Å; Y111-T137 PolarHBondContact N-O 3.02Å; Y111-T137 PolarHBondContact O-N 3.22Å; F113-T137 HydrophobicContact CD2-CG2 4.41Å; F113-T137 HydrophobicContact CE2-CG2 3.93Å; L135-T137 HydrophobicContact CD2-CG2 3.81Å; T137-L139 VanDerWaalsContact C-N 3.34Å; T137-L139 PolarHBondContact OG1-N 3.45Å; T137-L139 VanDerWaalsContact OG1-N 3.12Å; T137-Y145 HydrophobicContact CG2-CD2 3.79Å; T137-Y145 HydrophobicContact CG2-CE1 4.34Å; T137-Y145 HydrophobicContact CG2-CE2 3.49Å; T137-Y145 VanDerWaalsContact CG2-CE2 3.49Å; T137-Y145 HydrophobicContact CG2-CG 4.35Å; T137-Y145 PolarHBondContact OG1-OH 3.22Å |
| 138 | S | 95.4 | Very high | 93.5 | Very high | 14 Ų | 14 | 15.2 Ų | 15.2 | 10% | 0.098 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -79.3 | -18.8 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | F110 | F110-S138 WeakPolarHBondContact CE1-OG 3.47Š|
| 139 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -86.2 | 130.8 | -170.7 | -68.3 | 167.1 | 0 | 0 | 0 | 112.1 | N20 W21 Y95 I105 T137 F141 Y145 P177 | N20-L139 VanDerWaalsContact O-CD1 3.26Å; N20-L139 WeakPolarHBondContact O-CD1 3.4Å; W21-L139 HydrophobicContact CE3-CD1 4.47Å; Y95-L139 HydrophobicContact CD1-CD2 4.01Å; Y95-L139 HydrophobicContact CD2-CD2 4.39Å; Y95-L139 HydrophobicContact CE1-CD2 3.89Å; Y95-L139 HydrophobicContact CE2-CD2 4.27Å; Y95-L139 HydrophobicContact CG-CD2 4.27Å; I105-L139 HydrophobicContact CD1-CD2 3.88Å; I105-L139 HydrophobicContact CG1-CD2 4.02Å; T137-L139 VanDerWaalsContact C-N 3.34Å; T137-L139 PolarHBondContact OG1-N 3.45Å; T137-L139 VanDerWaalsContact OG1-N 3.12Å; L139-F141 HydrophobicContact CB-CD1 4.46Å; L139-F141 HydrophobicContact CB-CD2 4Å; L139-F141 HydrophobicContact CB-CE2 4.09Å; L139-F141 HydrophobicContact CB-CG 4.19Å; L139-F141 HydrophobicContact CB-CZ 4.33Å; L139-F141 HydrophobicContact CD1-CD2 4.14Å; L139-F141 HydrophobicContact CD1-CE2 3.69Å; L139-F141 HydrophobicContact CD1-CZ 4.26Å; L139-F141 HydrophobicContact CD2-CE1 4.45Å; L139-F141 HydrophobicContact CD2-CE2 4.2Å; L139-F141 HydrophobicContact CD2-CZ 3.93Å; L139-F141 HydrophobicContact CG-CE2 4.22Å; L139-F141 HydrophobicContact CG-CZ 4.41Å; L139-F141 PolarHBondContact O-N 3.31Å; L139-Y145 HydrophobicContact CB-CE2 4.06Å; L139-Y145 WeakPolarHBondContact CD1-OH 3.38Å; L139-Y145 WeakPolarHBondContact O-CE2 3.23Å; L139-P177 HydrophobicContact CD1-CB 4.05Å; L139-P177 HydrophobicContact CD1-CG 3.94Å |
| 140 | P | 94.3 | Very high | 94 | Very high | 9 Ų | 9 | 9.8 Ų | 9.8 | 6% | 0.058 | 5% | 0.05 | C | C | . | . | trans | -80 | 40.1 | -179.4 | 32.8 | -35.1 | 0 | 0 | 0 | 113.3 | M103 Y111 I142 | M103-P140 HydrophobicContact CB-CG 4.37Å; M103-P140 WeakPolarHBondContact O-CG 3.47Å; Y111-P140 HydrophobicContact CD2-CB 4.28Å; Y111-P140 HydrophobicContact CE1-CB 4.3Å; Y111-P140 HydrophobicContact CE2-CB 3.66Å; P140-I142 VanDerWaalsContact C-N 3.29Å; P140-I142 PolarHBondContact O-N 3.46Å | ||
| 141 | F | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -87.4 | 66 | -177.5 | -54.3 | -23.5 | 0 | 0 | 0 | 112.1 | W21 Y95 M103 L139 N143 F144 Y145 P177 I196 V225 | W21-F141 HydrophobicContact CE3-CE2 4.43Å; W21-F141 HydrophobicContact CZ3-CD2 4.15Å; W21-F141 AromaticContact CZ3-CE2 3.95Å; W21-F141 HydrophobicContact CZ3-CE2 3.95Å; Y95-F141 HydrophobicContact CD2-CZ 4.41Å; Y95-F141 AromaticContact CE2-CE1 3.81Å; Y95-F141 HydrophobicContact CE2-CE1 3.81Å; Y95-F141 AromaticContact CE2-CZ 3.6Å; Y95-F141 HydrophobicContact CE2-CZ 3.6Å; Y95-F141 AromaticContact CZ-CE1 3.86Å; Y95-F141 WeakPolarHBondContact OH-CE1 3.1Å; M103-F141 HydrophobicContact CE-CD1 3.82Å; M103-F141 HydrophobicContact CE-CE1 3.57Å; L139-F141 HydrophobicContact CB-CD1 4.46Å; L139-F141 HydrophobicContact CB-CD2 4Å; L139-F141 HydrophobicContact CB-CE2 4.09Å; L139-F141 HydrophobicContact CB-CG 4.19Å; L139-F141 HydrophobicContact CB-CZ 4.33Å; L139-F141 HydrophobicContact CD1-CD2 4.14Å; L139-F141 HydrophobicContact CD1-CE2 3.69Å; L139-F141 HydrophobicContact CD1-CZ 4.26Å; L139-F141 HydrophobicContact CD2-CE1 4.45Å; L139-F141 HydrophobicContact CD2-CE2 4.2Å; L139-F141 HydrophobicContact CD2-CZ 3.93Å; L139-F141 HydrophobicContact CG-CE2 4.22Å; L139-F141 HydrophobicContact CG-CZ 4.41Å; L139-F141 PolarHBondContact O-N 3.31Å; F141-N143 PolarHBondContact O-N 2.84Å; F141-F144 HydrophobicContact CB-CB 3.8Å; F141-F144 HydrophobicContact CB-CD1 4.26Å; F141-F144 HydrophobicContact CB-CG 4.49Å; F141-F144 HydrophobicContact CD2-CD1 4.29Å; F141-F144 PolarHBondContact O-N 2.91Å; F141-F144 VanDerWaalsContact O-N 3.1Å; F141-Y145 HydrophobicContact CB-CD2 3.86Å; F141-Y145 HydrophobicContact CB-CE2 3.57Å; F141-Y145 HydrophobicContact CD2-CE2 4.15Å; F141-Y145 HydrophobicContact CG-CE2 4.17Å; F141-Y145 WeakPolarHBondContact O-CD2 3.45Å; F141-Y145 PolarHBondContact O-N 2.98Å; F141-P177 HydrophobicContact CE2-CB 4.12Å; F141-I196 HydrophobicContact CE1-CG2 4.37Å; F141-I196 HydrophobicContact CE2-CD1 3.86Å; F141-I196 HydrophobicContact CE2-CG1 4.33Å; F141-I196 HydrophobicContact CZ-CD1 3.71Å; F141-I196 HydrophobicContact CZ-CG1 4.04Å; F141-I196 HydrophobicContact CZ-CG2 4.21Å; F141-V225 CarbonylContact C-O 3.53Å; F141-V225 VanDerWaalsContact CA-O 3.25Å; F141-V225 WeakPolarHBondContact CA-O 3.37Å; F141-V225 HydrophobicContact CB-CB 4.16Å; F141-V225 HydrophobicContact CD1-CB 4.18Å; F141-V225 HydrophobicContact CD1-CG2 3.95Å; F141-V225 HydrophobicContact CE1-CG2 4.31Å; F141-V225 HydrophobicContact CG-CB 4.16Å; F141-V225 HydrophobicContact CG-CG2 4.43Å | ||
| 142 | I | 92.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -50.7 | -50.4 | -171.1 | -48.1 | -55 | 0 | 0 | 0 | 113.3 | Y111 F113 P140 R146 V225 Q285 | Y111-I142 HydrophobicContact CD1-CD1 3.75Å; Y111-I142 HydrophobicContact CE1-CD1 3.79Å; F113-I142 HydrophobicContact CE1-CD1 4.4Å; F113-I142 HydrophobicContact CE1-CG2 4.2Å; F113-I142 WeakPolarHBondContact CE1-O 3.39Å; F113-I142 HydrophobicContact CZ-CD1 4.01Å; P140-I142 VanDerWaalsContact C-N 3.29Å; P140-I142 PolarHBondContact O-N 3.46Å; I142-R146 WeakPolarHBondContact O-CB 3.46Å; I142-R146 WeakPolarHBondContact O-CD 3.27Å; I142-R146 WeakPolarHBondContact O-CG 3.48Å; I142-R146 PolarHBondContact O-N 2.71Å; I142-V225 PolarHBondContact N-O 3.05Å; I142-V225 VanDerWaalsContact N-O 3.16Å; I142-Q285 HydrophobicContact CG1-CG 4Å; I142-Q285 HydrophobicContact CG2-CG 4.22Å |
| 143 | N | 87.5 | Confident | 94 | Very high | 31 Ų | 31 | 9.6 Ų | 9.6 | 17% | 0.166 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.7 | -38.6 | -178.7 | -81.9 | -3.1 | 0 | 0 | 0 | 112.9 | F141 R146 H147 S224 V225 E227 P228 | F141-N143 PolarHBondContact O-N 2.84Å; N143-R146 PolarHBondContact O-N 3.35Å; N143-H147 WeakPolarHBondContact O-CB 3.39Å; N143-H147 PolarHBondContact O-N 3.08Å; N143-S224 VanDerWaalsContact CB-O 3.22Å; N143-S224 WeakPolarHBondContact CB-O 3.33Å; N143-S224 PolarHBondContact ND2-O 2.87Å; N143-V225 PolarHBondContact N-O 3.29Å; N143-E227 PolarHBondContact ND2-O 3.42Å; N143-E227 PolarHBondContact OD1-O 3.41Å; N143-E227 VanDerWaalsContact OD1-O 3.07Å; N143-P228 WeakPolarHBondContact OD1-CA 3.34Å |
| 144 | F | 93.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.1 | -53.8 | -177.2 | 173.8 | -113 | 0 | 0 | 0 | 110.2 | W21 F141 R146 H147 I148 W174 L185 V192 L194 L222 V225 | W21-F144 AromaticContact CE3-CE1 3.74Å; W21-F144 HydrophobicContact CE3-CE1 3.74Å; W21-F144 HydrophobicContact CE3-CZ 4.28Å; W21-F144 HydrophobicContact CZ3-CD1 4.34Å; W21-F144 AromaticContact CZ3-CE1 3.73Å; W21-F144 HydrophobicContact CZ3-CE1 3.73Å; W21-F144 HydrophobicContact CZ3-CZ 4.05Å; F141-F144 HydrophobicContact CB-CB 3.8Å; F141-F144 HydrophobicContact CB-CD1 4.26Å; F141-F144 HydrophobicContact CB-CG 4.49Å; F141-F144 HydrophobicContact CD2-CD1 4.29Å; F141-F144 PolarHBondContact O-N 2.91Å; F141-F144 VanDerWaalsContact O-N 3.1Å; F144-R146 VanDerWaalsContact C-N 3.29Å; F144-R146 PolarHBondContact O-N 3.01Å; F144-H147 WeakPolarHBondContact O-CA 3.38Å; F144-H147 VanDerWaalsContact O-CB 3.32Å; F144-H147 WeakPolarHBondContact O-CB 3.29Å; F144-H147 PolarHBondContact O-N 3Å; F144-I148 HydrophobicContact CD1-CG1 4.43Å; F144-I148 HydrophobicContact CD2-CG1 4.25Å; F144-I148 HydrophobicContact CE1-CG1 4.08Å; F144-I148 HydrophobicContact CE2-CD1 3.84Å; F144-I148 HydrophobicContact CE2-CG1 3.88Å; F144-I148 HydrophobicContact CZ-CD1 3.93Å; F144-I148 HydrophobicContact CZ-CG1 3.81Å; F144-I148 WeakPolarHBondContact O-CG1 3.47Å; F144-I148 PolarHBondContact O-N 3.11Å; F144-W174 HydrophobicContact CE1-CH2 4.47Å; F144-W174 HydrophobicContact CE1-CZ3 4.01Å; F144-W174 HydrophobicContact CZ-CE3 4.46Å; F144-W174 AromaticContact CZ-CH2 3.71Å; F144-W174 HydrophobicContact CZ-CH2 3.71Å; F144-W174 AromaticContact CZ-CZ3 3.52Å; F144-W174 HydrophobicContact CZ-CZ3 3.52Å; F144-L185 HydrophobicContact CE2-CD1 3.94Å; F144-L185 HydrophobicContact CZ-CD1 3.77Å; F144-V192 HydrophobicContact CD2-CG1 4.45Å; F144-V192 HydrophobicContact CE2-CG1 4.18Å; F144-L194 HydrophobicContact CD2-CD2 3.29Å; F144-L194 HydrophobicContact CE2-CD2 3.34Å; F144-L194 HydrophobicContact CG-CD2 4.07Å; F144-L194 HydrophobicContact CZ-CD2 4.15Å; F144-L222 HydrophobicContact CB-CD2 3.8Å; F144-L222 HydrophobicContact CD2-CD2 4.02Å; F144-L222 HydrophobicContact CG-CD2 4.42Å; F144-V225 HydrophobicContact CB-CB 4.44Å; F144-V225 PolarHBondContact N-O 3.07Å |
| 145 | Y | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.3 | -30.7 | -179.3 | -64.7 | -62.5 | 0 | 0 | 0 | 113 | W21 I22 F113 L135 T137 L139 F141 H147 I148 L149 | W21-Y145 PolarHBondContact O-OH 3.33Å; I22-Y145 HydrophobicContact CG1-CE1 4.06Å; F113-Y145 HydrophobicContact CD2-CD2 4.28Å; F113-Y145 HydrophobicContact CD2-CG 4.1Å; F113-Y145 AromaticContact CE2-CD2 3.54Å; F113-Y145 HydrophobicContact CE2-CD2 3.54Å; F113-Y145 AromaticContact CE2-CG 3.81Å; F113-Y145 HydrophobicContact CE2-CG 3.81Å; F113-Y145 AromaticContact CZ-CD2 3.84Å; F113-Y145 HydrophobicContact CZ-CD2 3.84Å; F113-Y145 HydrophobicContact CZ-CG 4.23Å; L135-Y145 HydrophobicContact CD1-CD1 3.64Å; L135-Y145 HydrophobicContact CD1-CE1 4.34Å; L135-Y145 HydrophobicContact CD1-CG 4.44Å; L135-Y145 HydrophobicContact CD2-CD1 3.57Å; L135-Y145 HydrophobicContact CD2-CE1 3.98Å; L135-Y145 HydrophobicContact CD2-CG 3.97Å; L135-Y145 HydrophobicContact CG-CD1 4.31Å; T137-Y145 HydrophobicContact CG2-CD2 3.79Å; T137-Y145 HydrophobicContact CG2-CE1 4.34Å; T137-Y145 HydrophobicContact CG2-CE2 3.49Å; T137-Y145 VanDerWaalsContact CG2-CE2 3.49Å; T137-Y145 HydrophobicContact CG2-CG 4.35Å; T137-Y145 PolarHBondContact OG1-OH 3.22Å; L139-Y145 HydrophobicContact CB-CE2 4.06Å; L139-Y145 WeakPolarHBondContact CD1-OH 3.38Å; L139-Y145 WeakPolarHBondContact O-CE2 3.23Å; F141-Y145 HydrophobicContact CB-CD2 3.86Å; F141-Y145 HydrophobicContact CB-CE2 3.57Å; F141-Y145 HydrophobicContact CD2-CE2 4.15Å; F141-Y145 HydrophobicContact CG-CE2 4.17Å; F141-Y145 WeakPolarHBondContact O-CD2 3.45Å; F141-Y145 PolarHBondContact O-N 2.98Å; Y145-H147 VanDerWaalsContact C-N 3.34Å; Y145-I148 PolarHBondContact O-N 2.98Å; Y145-L149 VanDerWaalsContact O-CB 3.26Å; Y145-L149 WeakPolarHBondContact O-CB 3.35Å; Y145-L149 PolarHBondContact O-N 3.29Å |
| 146 | R | 91.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 13.5 Ų | 13.5 | 12% | 0.121 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 169.1 | -73 | 175 | 69.6 | 87.5 | 26.4 | 111.7 | L73 F113 I142 N143 F144 S150 Y233 | L73-R146 HydrophobicContact CD2-CB 4.16Å; L73-R146 HydrophobicContact CD2-CG 4.45Å; L73-R146 WeakPolarHBondContact CD2-O 3.25Å; L73-R146 PolarHBondContact O-NH1 3.38Å; L73-R146 VanDerWaalsContact O-NH1 3.15Å; L73-R146 PolarHBondContact O-NH2 3.36Å; F113-R146 HydrophobicContact CD1-CG 3.93Å; F113-R146 HydrophobicContact CE1-CG 4.12Å; I142-R146 WeakPolarHBondContact O-CB 3.46Å; I142-R146 WeakPolarHBondContact O-CD 3.27Å; I142-R146 WeakPolarHBondContact O-CG 3.48Å; I142-R146 PolarHBondContact O-N 2.71Å; N143-R146 PolarHBondContact O-N 3.35Å; F144-R146 VanDerWaalsContact C-N 3.29Å; F144-R146 PolarHBondContact O-N 3.01Å; R146-S150 WeakPolarHBondContact O-CB 3.3Å; R146-S150 PolarHBondContact O-N 3.12Å; R146-S150 PolarHBondContact O-OG 3.21Å; R146-Y233 PolarHBondContact NH2-OH 3.22Å |
| 147 | H | 89.3 | Confident | 93.1 | Very high | 30 Ų | 30 | 15.7 Ų | 15.7 | 14% | 0.139 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 175.8 | 179.1 | 66.2 | 0 | 0 | 0 | 111.4 | N143 F144 Y145 L149 S150 S151 L222 | N143-H147 WeakPolarHBondContact O-CB 3.39Å; N143-H147 PolarHBondContact O-N 3.08Å; F144-H147 WeakPolarHBondContact O-CA 3.38Å; F144-H147 VanDerWaalsContact O-CB 3.32Å; F144-H147 WeakPolarHBondContact O-CB 3.29Å; F144-H147 PolarHBondContact O-N 3Å; Y145-H147 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 3.44Å; H147-S150 PolarHBondContact O-N 2.69Å; H147-S150 PolarHBondContact O-OG 2.87Å; H147-S151 PolarHBondContact O-N 3.44Å; H147-L222 HydrophobicContact CB-CD1 4.47Å |
| 148 | I | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -54.3 | -53.7 | 176.2 | -65.8 | -55.1 | 0 | 0 | 0 | 110.9 | L135 F144 Y145 S150 S151 L152 W174 F187 | L135-I148 HydrophobicContact CD1-CG2 4.16Å; F144-I148 HydrophobicContact CD1-CG1 4.43Å; F144-I148 HydrophobicContact CD2-CG1 4.25Å; F144-I148 HydrophobicContact CE1-CG1 4.08Å; F144-I148 HydrophobicContact CE2-CD1 3.84Å; F144-I148 HydrophobicContact CE2-CG1 3.88Å; F144-I148 HydrophobicContact CZ-CD1 3.93Å; F144-I148 HydrophobicContact CZ-CG1 3.81Å; F144-I148 WeakPolarHBondContact O-CG1 3.47Å; F144-I148 PolarHBondContact O-N 3.11Å; Y145-I148 PolarHBondContact O-N 2.98Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 2.93Å; I148-S151 PolarHBondContact O-N 2.98Å; I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 PolarHBondContact O-N 3.28Å; I148-W174 HydrophobicContact CD1-CH2 3.97Å; I148-F187 HydrophobicContact CB-CZ 4.24Å; I148-F187 HydrophobicContact CD1-CD1 3.93Å; I148-F187 HydrophobicContact CD1-CD2 3.82Å; I148-F187 HydrophobicContact CD1-CE1 4Å; I148-F187 HydrophobicContact CD1-CE2 3.88Å; I148-F187 HydrophobicContact CD1-CG 3.83Å; I148-F187 HydrophobicContact CD1-CZ 3.98Å; I148-F187 HydrophobicContact CG2-CE1 4.49Å; I148-F187 HydrophobicContact CG2-CE2 3.73Å; I148-F187 HydrophobicContact CG2-CZ 3.63Å |
| 149 | L | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.5 | -30.1 | -175 | -156.4 | 64.6 | 0 | 0 | 0 | 112.6 | F25 L73 F113 F115 V133 L135 Y145 H147 S151 L152 S153 | F25-L149 HydrophobicContact CE1-CD1 4.5Å; L73-L149 HydrophobicContact CD1-CB 4.07Å; L73-L149 HydrophobicContact CD1-CD2 3.64Å; L73-L149 HydrophobicContact CD1-CG 4.12Å; F113-L149 HydrophobicContact CB-CD2 3.81Å; F113-L149 WeakPolarHBondContact O-CD2 3.47Å; F115-L149 HydrophobicContact CB-CD2 3.98Å; F115-L149 HydrophobicContact CB-CG 4Å; V133-L149 HydrophobicContact CG1-CD1 4.1Å; L135-L149 HydrophobicContact CB-CD1 4.28Å; Y145-L149 VanDerWaalsContact O-CB 3.26Å; Y145-L149 WeakPolarHBondContact O-CB 3.35Å; Y145-L149 PolarHBondContact O-N 3.29Å; H147-L149 PolarHBondContact O-N 3.44Å; L149-S151 PolarHBondContact O-N 3.3Å; L149-L152 HydrophobicContact CD1-CD2 4.21Å; L149-S153 VanDerWaalsContact CD1-OG 3.23Å; L149-S153 WeakPolarHBondContact CD1-OG 3.43Å; L149-S153 WeakPolarHBondContact CG-OG 3.48Å; L149-S153 WeakPolarHBondContact O-CB 3.25Å; L149-S153 PolarHBondContact O-N 2.85Å; L149-S153 PolarHBondContact O-OG 3.24Å |
| 150 | S | 90.2 | Very high | 92.7 | Very high | 29 Ų | 29 | 24.6 Ų | 24.6 | 20% | 0.203 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.7 | -25.4 | 176 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | R146 H147 I148 P154 | R146-S150 WeakPolarHBondContact O-CB 3.3Å; R146-S150 PolarHBondContact O-N 3.12Å; R146-S150 PolarHBondContact O-OG 3.21Å; H147-S150 PolarHBondContact O-N 2.69Å; H147-S150 PolarHBondContact O-OG 2.87Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-S150 PolarHBondContact O-N 2.93Å; S150-P154 WeakPolarHBondContact O-CD 3.38Å; S150-P154 WeakPolarHBondContact O-CG 3.33Å |
| 151 | S | 89.4 | Confident | 92.7 | Very high | 52 Ų | 52 | 27.2 Ų | 27.2 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -94.9 | -43 | 176.7 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | H147 I148 L149 | H147-S151 PolarHBondContact O-N 3.44Å; I148-S151 PolarHBondContact O-N 2.98Å; L149-S151 PolarHBondContact O-N 3.3Å |
| 152 | L | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -53.1 | -177.6 | 179.7 | 70.1 | 0 | 0 | 0 | 112.7 | F25 I148 L149 A155 Y156 L163 V167 F187 M188 | F25-L152 HydrophobicContact CD1-CD2 4.04Å; F25-L152 HydrophobicContact CE1-CD2 3.34Å; F25-L152 HydrophobicContact CZ-CD2 3.78Å; I148-L152 WeakPolarHBondContact O-CB 3.33Å; I148-L152 PolarHBondContact O-N 3.28Å; L149-L152 HydrophobicContact CD1-CD2 4.21Å; L152-A155 PolarHBondContact O-N 3.28Å; L152-Y156 PolarHBondContact O-N 3.2Å; L152-L163 HydrophobicContact CD1-CD2 4.01Å; L152-L163 HydrophobicContact CD1-CG 4.01Å; L152-V167 HydrophobicContact CD1-CB 4.15Å; L152-V167 HydrophobicContact CD1-CG1 4.25Å; L152-V167 HydrophobicContact CD1-CG2 3.75Å; L152-F187 HydrophobicContact CB-CZ 4.26Å; L152-M188 HydrophobicContact CB-SD 4.28Å; L152-M188 HydrophobicContact CD1-SD 4.11Å |
| 153 | S | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | -166.5 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | F115 L149 A155 Y156 F157 | F115-S153 VanDerWaalsContact CB-CB 3.49Å; F115-S153 VanDerWaalsContact CB-OG 3.26Å; F115-S153 WeakPolarHBondContact CB-OG 3.41Å; L149-S153 VanDerWaalsContact CD1-OG 3.23Å; L149-S153 WeakPolarHBondContact CD1-OG 3.43Å; L149-S153 WeakPolarHBondContact CG-OG 3.48Å; L149-S153 WeakPolarHBondContact O-CB 3.25Å; L149-S153 PolarHBondContact O-N 2.85Å; L149-S153 PolarHBondContact O-OG 3.24Å; S153-A155 VanDerWaalsContact C-N 3.28Å; S153-A155 PolarHBondContact O-N 3.45Å; S153-Y156 WeakPolarHBondContact O-CB 3.34Å; S153-Y156 PolarHBondContact O-N 3.14Å; S153-Y156 VanDerWaalsContact O-N 3.16Å; S153-F157 WeakPolarHBondContact O-CD2 3.21Å; S153-F157 WeakPolarHBondContact O-CE2 3.35Å; S153-F157 PolarHBondContact O-N 3.4Å |
| 154 | P | 92 | Very high | 93.3 | Very high | 42 Ų | 42 | 30.7 Ų | 30.7 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.7 | -40.5 | 174.5 | -27 | 36.2 | 0 | 0 | 0 | 113.5 | F115 S150 | F115-P154 HydrophobicContact CE2-CG 3.94Å; F115-P154 HydrophobicContact CZ-CG 3.82Å; S150-P154 WeakPolarHBondContact O-CD 3.38Å; S150-P154 WeakPolarHBondContact O-CG 3.33Å |
| 155 | A | 93.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 22% | 0.223 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.8 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L152 S153 F157 S158 T159 L163 M188 | L152-A155 PolarHBondContact O-N 3.28Å; S153-A155 VanDerWaalsContact C-N 3.28Å; S153-A155 PolarHBondContact O-N 3.45Å; A155-F157 VanDerWaalsContact C-N 3.3Å; A155-F157 PolarHBondContact O-N 3.1Å; A155-S158 PolarHBondContact O-N 3.12Å; A155-S158 VanDerWaalsContact O-N 3.14Å; A155-S158 PolarHBondContact O-OG 3.26Å; A155-T159 WeakPolarHBondContact O-CB 3.39Å; A155-T159 PolarHBondContact O-N 3.17Å; A155-T159 PolarHBondContact O-OG1 3.38Å; A155-L163 VanDerWaalsContact C-CD2 3.46Å; A155-L163 HydrophobicContact CB-CD2 3.55Å; A155-M188 HydrophobicContact CB-CE 3.88Å |
| 156 | Y | 95.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -41 | 175.7 | 170.5 | -96.3 | 0 | 0 | 0 | 112 | V27 L40 K131 V133 L152 S153 S158 T159 G160 L163 I164 | V27-Y156 HydrophobicContact CG1-CE1 3.91Å; V27-Y156 HydrophobicContact CG2-CE1 4.06Å; V27-Y156 HydrophobicContact CG2-CE2 4.21Å; L40-Y156 WeakPolarHBondContact CD2-OH 3.18Å; K131-Y156 HydrophobicContact CD-CE1 4.36Å; V133-Y156 HydrophobicContact CG2-CD1 3.32Å; V133-Y156 HydrophobicContact CG2-CE1 3.79Å; V133-Y156 HydrophobicContact CG2-CG 3.95Å; L152-Y156 PolarHBondContact O-N 3.2Å; S153-Y156 WeakPolarHBondContact O-CB 3.34Å; S153-Y156 PolarHBondContact O-N 3.14Å; S153-Y156 VanDerWaalsContact O-N 3.16Å; Y156-S158 PolarHBondContact O-N 3.19Å; Y156-S158 VanDerWaalsContact O-N 3.13Å; Y156-T159 PolarHBondContact O-N 2.95Å; Y156-G160 VanDerWaalsContact CD2-O 3.28Å; Y156-G160 WeakPolarHBondContact CD2-O 3.4Å; Y156-G160 WeakPolarHBondContact CE2-O 3.4Å; Y156-G160 WeakPolarHBondContact O-CA 3.24Å; Y156-G160 PolarHBondContact O-N 3.28Å; Y156-L163 VanDerWaalsContact N-CD2 3.27Å; Y156-I164 HydrophobicContact CD2-CD1 3.56Å; Y156-I164 HydrophobicContact CD2-CG1 3.77Å; Y156-I164 HydrophobicContact CE2-CD1 3.52Å; Y156-I164 HydrophobicContact CE2-CG1 4.14Å; Y156-I164 HydrophobicContact CG-CD1 4.42Å |
| 157 | F | 92.2 | Very high | 93.5 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 20% | 0.202 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -17.5 | -179.6 | -67.6 | -67.5 | 0 | 0 | 0 | 114.2 | F115 R117 F129 K131 V133 S153 A155 | F115-F157 AromaticContact CD1-CE2 3.76Å; F115-F157 HydrophobicContact CD1-CE2 3.76Å; F115-F157 HydrophobicContact CD1-CZ 4.36Å; F115-F157 AromaticContact CE1-CE2 3.73Å; F115-F157 HydrophobicContact CE1-CE2 3.73Å; R117-F157 HydrophobicContact CB-CD2 4.45Å; R117-F157 HydrophobicContact CB-CE1 4.12Å; R117-F157 HydrophobicContact CB-CE2 3.73Å; R117-F157 HydrophobicContact CB-CZ 3.53Å; R117-F157 HydrophobicContact CG-CE2 4.45Å; R117-F157 HydrophobicContact CG-CZ 4.43Å; F129-F157 HydrophobicContact CE1-CD1 4.04Å; F129-F157 HydrophobicContact CE1-CE1 4.02Å; F129-F157 HydrophobicContact CZ-CD1 4.11Å; F129-F157 HydrophobicContact CZ-CE1 4.21Å; K131-F157 HydrophobicContact CB-CE1 3.92Å; K131-F157 HydrophobicContact CD-CE1 4.03Å; K131-F157 HydrophobicContact CG-CE1 3.98Å; V133-F157 HydrophobicContact CG2-CZ 4.16Å; S153-F157 WeakPolarHBondContact O-CD2 3.21Å; S153-F157 WeakPolarHBondContact O-CE2 3.35Å; S153-F157 PolarHBondContact O-N 3.4Å; A155-F157 VanDerWaalsContact C-N 3.3Å; A155-F157 PolarHBondContact O-N 3.1Å |
| 158 | S | 92.1 | Very high | 93.8 | Very high | 100 Ų | 100 | 33.8 Ų | 33.8 | 70% | 0.699 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -96.8 | -31.8 | 171.7 | 48.4 | 0 | 0 | 0 | 0 | 113.7 | A155 Y156 | A155-S158 PolarHBondContact O-N 3.12Å; A155-S158 VanDerWaalsContact O-N 3.14Å; A155-S158 PolarHBondContact O-OG 3.26Å; Y156-S158 PolarHBondContact O-N 3.19Å; Y156-S158 VanDerWaalsContact O-N 3.13Å |
| 159 | T | 93.4 | Very high | 93.7 | Very high | 80 Ų | 80 | 38 Ų | 38 | 49% | 0.491 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -104.7 | -27 | -169.6 | -52 | 0 | 0 | 0 | 0 | 113.6 | A155 Y156 L163 | A155-T159 WeakPolarHBondContact O-CB 3.39Å; A155-T159 PolarHBondContact O-N 3.17Å; A155-T159 PolarHBondContact O-OG1 3.38Å; Y156-T159 PolarHBondContact O-N 2.95Å; T159-L163 HydrophobicContact CG2-CB 3.91Å |
| 160 | G | 94.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 25% | 0.248 | C | C | . | . | trans | 75.4 | -158.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y156 L163 | Y156-G160 VanDerWaalsContact CD2-O 3.28Å; Y156-G160 WeakPolarHBondContact CD2-O 3.4Å; Y156-G160 WeakPolarHBondContact CE2-O 3.4Å; Y156-G160 WeakPolarHBondContact O-CA 3.24Å; Y156-G160 PolarHBondContact O-N 3.28Å; G160-L163 WeakPolarHBondContact O-CB 3.44Å; G160-L163 PolarHBondContact O-N 3.28Å | ||
| 161 | L | 94.2 | Very high | 94 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -52.3 | -40.1 | -175.2 | -178.2 | 61.1 | 0 | 0 | 0 | 115 | L40 Y42 L163 I164 E165 | L40-L161 HydrophobicContact CD1-CD1 3.8Å; L40-L161 HydrophobicContact CD2-CD1 4.42Å; Y42-L161 HydrophobicContact CD2-CD1 4.46Å; L161-L163 PolarHBondContact O-N 3.42Å; L161-I164 HydrophobicContact CD1-CB 4.42Å; L161-I164 PolarHBondContact O-N 2.89Å; L161-E165 HydrophobicContact CD1-CG 4.3Å; L161-E165 HydrophobicContact CG-CG 4.14Å; L161-E165 PolarHBondContact O-N 3.45Å; L161-E165 VanDerWaalsContact O-N 3.09Å |
| 162 | P | 95 | Very high | 94.2 | Very high | 80 Ų | 80 | 39 Ų | 39 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.4 | -28.5 | 179.9 | -29.1 | 36.9 | 0 | 0 | 0 | 114.1 | A166 | P162-A166 WeakPolarHBondContact O-CB 3.5Å; P162-A166 PolarHBondContact O-N 3.41Å |
| 163 | L | 95.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 175 | -179.5 | 67.4 | 0 | 0 | 0 | 112.5 | L152 A155 Y156 T159 G160 L161 E165 A166 V167 M188 | L152-L163 HydrophobicContact CD1-CD2 4.01Å; L152-L163 HydrophobicContact CD1-CG 4.01Å; A155-L163 VanDerWaalsContact C-CD2 3.46Å; A155-L163 HydrophobicContact CB-CD2 3.55Å; Y156-L163 VanDerWaalsContact N-CD2 3.27Å; T159-L163 HydrophobicContact CG2-CB 3.91Å; G160-L163 WeakPolarHBondContact O-CB 3.44Å; G160-L163 PolarHBondContact O-N 3.28Å; L161-L163 PolarHBondContact O-N 3.42Å; L163-E165 VanDerWaalsContact C-N 3.31Å; L163-A166 PolarHBondContact O-N 3.3Å; L163-V167 HydrophobicContact CD1-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CB 3.43Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.31Å; L163-M188 HydrophobicContact CD1-CE 3.9Å; L163-M188 HydrophobicContact CD2-CE 4.27Å |
| 164 | I | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.3 | -67.7 | 175.4 | 0 | 0 | 0 | 109.4 | F25 V27 Y42 Y156 L161 V167 C168 | F25-I164 HydrophobicContact CB-CD1 4.48Å; F25-I164 HydrophobicContact CB-CG2 3.98Å; F25-I164 HydrophobicContact CD2-CG2 3.84Å; F25-I164 HydrophobicContact CG-CG2 4Å; V27-I164 HydrophobicContact CG2-CD1 4.01Å; Y42-I164 HydrophobicContact CD1-CG2 4.01Å; Y42-I164 HydrophobicContact CG-CG2 4.15Å; Y156-I164 HydrophobicContact CD2-CD1 3.56Å; Y156-I164 HydrophobicContact CD2-CG1 3.77Å; Y156-I164 HydrophobicContact CE2-CD1 3.52Å; Y156-I164 HydrophobicContact CE2-CG1 4.14Å; Y156-I164 HydrophobicContact CG-CD1 4.42Å; L161-I164 HydrophobicContact CD1-CB 4.42Å; L161-I164 PolarHBondContact O-N 2.89Å; I164-V167 PolarHBondContact O-N 3.17Å; I164-C168 WeakPolarHBondContact O-CB 3.45Å; I164-C168 PolarHBondContact O-N 2.93Å; I164-C168 PolarHBondContact O-SG 3.39Å; I164-C168 VanDerWaalsContact O-SG 3.4Å |
| 165 | E | 94.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.9 | -63.3 | -177.5 | 146.1 | 0 | 0 | 111.3 | Y42 L161 L163 V167 C168 Q169 | Y42-E165 HydrophobicContact CD2-CG 4.09Å; Y42-E165 HydrophobicContact CE2-CB 4.5Å; Y42-E165 HydrophobicContact CE2-CG 3.63Å; L161-E165 HydrophobicContact CD1-CG 4.3Å; L161-E165 HydrophobicContact CG-CG 4.14Å; L161-E165 PolarHBondContact O-N 3.45Å; L161-E165 VanDerWaalsContact O-N 3.09Å; L163-E165 VanDerWaalsContact C-N 3.31Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 3.45Å; E165-C168 PolarHBondContact O-N 2.69Å; E165-Q169 WeakPolarHBondContact O-CG 3.29Å; E165-Q169 PolarHBondContact O-N 2.94Å |
| 166 | A | 94.4 | Very high | 94.3 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P162 L163 Q169 E170 | P162-A166 WeakPolarHBondContact O-CB 3.5Å; P162-A166 PolarHBondContact O-N 3.41Å; L163-A166 PolarHBondContact O-N 3.3Å; A166-Q169 WeakPolarHBondContact O-CB 3.46Å; A166-Q169 PolarHBondContact O-N 3.06Å; A166-E170 PolarHBondContact O-N 3.13Å |
| 167 | V | 95.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 178.6 | 164.9 | 0 | 0 | 0 | 0 | 111.8 | L152 L163 I164 E165 Q169 E170 V171 F187 M188 | L152-V167 HydrophobicContact CD1-CB 4.15Å; L152-V167 HydrophobicContact CD1-CG1 4.25Å; L152-V167 HydrophobicContact CD1-CG2 3.75Å; L163-V167 HydrophobicContact CD1-CG2 4.42Å; L163-V167 WeakPolarHBondContact O-CB 3.43Å; L163-V167 WeakPolarHBondContact O-CG2 3.09Å; L163-V167 PolarHBondContact O-N 3.31Å; I164-V167 PolarHBondContact O-N 3.17Å; E165-V167 VanDerWaalsContact C-N 3.35Å; E165-V167 PolarHBondContact O-N 3.45Å; V167-Q169 VanDerWaalsContact C-N 3.28Å; V167-Q169 PolarHBondContact O-N 2.86Å; V167-E170 WeakPolarHBondContact O-CB 2.97Å; V167-E170 PolarHBondContact O-N 3.04Å; V167-E170 VanDerWaalsContact O-N 3.16Å; V167-V171 HydrophobicContact CG1-CG2 4.33Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.33Å; V167-V171 PolarHBondContact O-N 2.88Å; V167-F187 HydrophobicContact CG1-CD2 4.33Å; V167-F187 HydrophobicContact CG1-CE2 3.64Å; V167-F187 HydrophobicContact CG2-CE2 4.45Å; V167-M188 HydrophobicContact CG2-CG 3.71Å; V167-M188 HydrophobicContact CG2-SD 4.2Å |
| 168 | C | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 174.3 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | L15 L18 Y42 I164 E165 V171 E172 | L15-C168 HydrophobicContact CD1-CB 4.33Å; L18-C168 HydrophobicContact CD1-CB 4.25Å; L18-C168 HydrophobicContact CD2-CB 3.99Å; Y42-C168 HydrophobicContact CD1-CB 4.06Å; Y42-C168 VanDerWaalsContact CD1-SG 3.51Å; Y42-C168 HydrophobicContact CE1-CB 3.47Å; Y42-C168 VanDerWaalsContact CE1-CB 3.47Å; Y42-C168 VanDerWaalsContact CE1-SG 3.59Å; I164-C168 WeakPolarHBondContact O-CB 3.45Å; I164-C168 PolarHBondContact O-N 2.93Å; I164-C168 PolarHBondContact O-SG 3.39Å; I164-C168 VanDerWaalsContact O-SG 3.4Å; E165-C168 PolarHBondContact O-N 2.69Å; C168-V171 PolarHBondContact O-N 3.25Å; C168-E172 PolarHBondContact O-N 3.33Å |
| 169 | Q | 93.1 | Very high | 94.3 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.3 | -38 | 172.3 | -66.5 | -62.6 | -27.5 | 0 | 0 | 112 | E165 A166 V167 H173 | E165-Q169 WeakPolarHBondContact O-CG 3.29Å; E165-Q169 PolarHBondContact O-N 2.94Å; A166-Q169 WeakPolarHBondContact O-CB 3.46Å; A166-Q169 PolarHBondContact O-N 3.06Å; V167-Q169 VanDerWaalsContact C-N 3.28Å; V167-Q169 PolarHBondContact O-N 2.86Å; Q169-H173 PolarHBondContact O-ND1 2.91Å |
| 170 | E | 93.9 | Very high | 94 | Very high | 64 Ų | 64 | 43.4 Ų | 43.4 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 172.6 | -71.3 | -177.3 | -159.4 | 0 | 0 | 111.8 | A166 V167 E172 H173 F187 M188 | A166-E170 PolarHBondContact O-N 3.13Å; V167-E170 WeakPolarHBondContact O-CB 2.97Å; V167-E170 PolarHBondContact O-N 3.04Å; V167-E170 VanDerWaalsContact O-N 3.16Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 2.99Å; E170-H173 PolarHBondContact O-N 3.13Å; E170-H173 VanDerWaalsContact O-N 3.1Å; E170-F187 VanDerWaalsContact OE2-CA 3.27Å; E170-F187 WeakPolarHBondContact OE2-CA 3.45Å; E170-M188 PolarHBondContact OE2-N 2.92Å |
| 171 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | L18 W21 I22 V167 C168 H173 W174 | L18-V171 HydrophobicContact CD1-CB 3.94Å; L18-V171 HydrophobicContact CD1-CG1 3.66Å; W21-V171 HydrophobicContact CB-CG1 4.07Å; W21-V171 HydrophobicContact CG-CG1 4.42Å; I22-V171 HydrophobicContact CD1-CG1 4.46Å; I22-V171 HydrophobicContact CD1-CG2 4.36Å; V167-V171 HydrophobicContact CG1-CG2 4.33Å; V167-V171 VanDerWaalsContact O-CG2 3.27Å; V167-V171 WeakPolarHBondContact O-CG2 3.33Å; V167-V171 PolarHBondContact O-N 2.88Å; C168-V171 PolarHBondContact O-N 3.25Å; V171-H173 PolarHBondContact O-N 2.76Å; V171-H173 VanDerWaalsContact O-N 3.17Å; V171-W174 HydrophobicContact CB-CD2 4.22Å; V171-W174 HydrophobicContact CB-CE3 4.28Å; V171-W174 HydrophobicContact CB-CZ3 4.48Å; V171-W174 HydrophobicContact CG1-CD2 4.05Å; V171-W174 HydrophobicContact CG1-CE3 3.7Å; V171-W174 HydrophobicContact CG1-CZ3 3.99Å; V171-W174 HydrophobicContact CG2-CD2 4.17Å; V171-W174 HydrophobicContact CG2-CE3 4.13Å; V171-W174 HydrophobicContact CG2-CH2 3.69Å; V171-W174 HydrophobicContact CG2-CZ2 3.73Å; V171-W174 HydrophobicContact CG2-CZ3 3.87Å; V171-W174 VanDerWaalsContact O-CB 3.26Å; V171-W174 WeakPolarHBondContact O-CB 3.22Å; V171-W174 PolarHBondContact O-N 2.93Å |
| 172 | E | 93.9 | Very high | 93.2 | Very high | 37 Ų | 37 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -26.7 | 175 | -172.7 | 61.3 | -161.5 | 0 | 0 | 112.5 | L15 K16 N17 L18 C168 E170 | L15-E172 WeakPolarHBondContact CA-OE2 3.49Å; L15-E172 WeakPolarHBondContact CB-OE2 3.43Å; L15-E172 HydrophobicContact CD2-CB 4.19Å; L15-E172 HydrophobicContact CD2-CG 3.96Å; K16-E172 PolarHBondContact N-OE1 3.5Å; K16-E172 PolarHBondContact N-OE2 2.9Å; N17-E172 WeakPolarHBondContact CB-O 3.12Å; N17-E172 PolarHBondContact N-OE1 3.2Å; N17-E172 PolarHBondContact N-OE2 2.73Å; N17-E172 VanDerWaalsContact N-OE2 3.09Å; N17-E172 PolarHBondContact ND2-O 3.26Å; L18-E172 PolarHBondContact N-OE2 2.98Å; C168-E172 PolarHBondContact O-N 3.33Å; E170-E172 VanDerWaalsContact C-N 3.29Å; E170-E172 PolarHBondContact O-N 2.99Å |
| 173 | H | 93.1 | Very high | 93.1 | Very high | 152 Ų | 152 | 40.3 Ų | 40.3 | 70% | 0.704 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.2 | 178.1 | -64.3 | 81.6 | 0 | 0 | 0 | 113.3 | Q169 E170 V171 | Q169-H173 PolarHBondContact O-ND1 2.91Å; E170-H173 PolarHBondContact O-N 3.13Å; E170-H173 VanDerWaalsContact O-N 3.1Å; V171-H173 PolarHBondContact O-N 2.76Å; V171-H173 VanDerWaalsContact O-N 3.17Å |
| 174 | W | 95.2 | Very high | 93 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -71.3 | 147.6 | 174.7 | -69.4 | 1.4 | 0 | 0 | 0 | 111.4 | W21 F144 I148 V171 L185 P186 F187 | W21-W174 HydrophobicContact CB-CE3 4.46Å; W21-W174 AromaticContact CD2-CE3 3.76Å; W21-W174 HydrophobicContact CD2-CE3 3.76Å; W21-W174 HydrophobicContact CD2-CZ3 4.22Å; W21-W174 AromaticContact CE2-CE3 3.92Å; W21-W174 HydrophobicContact CE3-CE3 4.21Å; W21-W174 HydrophobicContact CE3-CZ3 4.28Å; W21-W174 AromaticContact CG-CE3 3.87Å; W21-W174 HydrophobicContact CG-CE3 3.87Å; W21-W174 HydrophobicContact CG-CZ3 4.39Å; W21-W174 HydrophobicContact CZ2-CE3 4.49Å; F144-W174 HydrophobicContact CE1-CH2 4.47Å; F144-W174 HydrophobicContact CE1-CZ3 4.01Å; F144-W174 HydrophobicContact CZ-CE3 4.46Å; F144-W174 AromaticContact CZ-CH2 3.71Å; F144-W174 HydrophobicContact CZ-CH2 3.71Å; F144-W174 AromaticContact CZ-CZ3 3.52Å; F144-W174 HydrophobicContact CZ-CZ3 3.52Å; I148-W174 HydrophobicContact CD1-CH2 3.97Å; V171-W174 HydrophobicContact CB-CD2 4.22Å; V171-W174 HydrophobicContact CB-CE3 4.28Å; V171-W174 HydrophobicContact CB-CZ3 4.48Å; V171-W174 HydrophobicContact CG1-CD2 4.05Å; V171-W174 HydrophobicContact CG1-CE3 3.7Å; V171-W174 HydrophobicContact CG1-CZ3 3.99Å; V171-W174 HydrophobicContact CG2-CD2 4.17Å; V171-W174 HydrophobicContact CG2-CE3 4.13Å; V171-W174 HydrophobicContact CG2-CH2 3.69Å; V171-W174 HydrophobicContact CG2-CZ2 3.73Å; V171-W174 HydrophobicContact CG2-CZ3 3.87Å; V171-W174 VanDerWaalsContact O-CB 3.26Å; V171-W174 WeakPolarHBondContact O-CB 3.22Å; V171-W174 PolarHBondContact O-N 2.93Å; W174-L185 HydrophobicContact CB-CD2 3.92Å; W174-L185 HydrophobicContact CD2-CB 4.03Å; W174-L185 HydrophobicContact CD2-CD1 4.14Å; W174-L185 HydrophobicContact CD2-CD2 4.04Å; W174-L185 HydrophobicContact CD2-CG 4.29Å; W174-L185 HydrophobicContact CE3-CD1 3.95Å; W174-L185 HydrophobicContact CE3-CD2 4.48Å; W174-L185 HydrophobicContact CG-CB 4.32Å; W174-L185 HydrophobicContact CG-CD2 3.8Å; W174-L185 HydrophobicContact CG-CG 4.5Å; W174-L185 HydrophobicContact CZ2-CB 4.11Å; W174-L185 HydrophobicContact CZ3-CD1 4.18Å; W174-P186 PolarHBondContact NE1-O 3.19Å; W174-F187 HydrophobicContact CH2-CD2 4.26Å; W174-F187 HydrophobicContact CZ2-CB 4.21Å; W174-F187 AromaticContact CZ2-CD2 3.9Å; W174-F187 HydrophobicContact CZ2-CD2 3.9Å; W174-F187 HydrophobicContact CZ2-CG 4.45Å |
| 175 | E | 94.1 | Very high | 92.9 | Very high | 119 Ų | 119 | 42 Ų | 42 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -62.5 | 154.8 | 167.2 | -66.9 | 176.6 | -161 | 0 | 0 | 110.5 | W21 L183 | W21-E175 VanDerWaalsContact CZ2-O 3.29Å; W21-E175 WeakPolarHBondContact CZ2-O 3.16Å; W21-E175 PolarHBondContact NE1-O 3.16Å; E175-L183 HydrophobicContact CB-CD2 4.08Å; E175-L183 WeakPolarHBondContact OE2-CD2 3.46Å |
| 176 | D | 94.7 | Very high | 92.9 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 144.5 | 176.3 | -75.3 | -29.5 | 0 | 0 | 0 | 111.3 | N20 V91 L178 | N20-D176 PolarHBondContact ND2-OD1 3.09Å; V91-D176 HydrophobicContact CG1-CB 3.87Å; D176-L178 HydrophobicContact CB-CD1 4.34Å; D176-L178 HydrophobicContact CB-CG 3.98Å; D176-L178 PolarHBondContact O-N 3.48Å |
| 177 | P | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -74.4 | 56.2 | -178.4 | 31.3 | -35.6 | 0 | 0 | 0 | 112 | N20 W21 V91 Y95 L139 F141 I196 | N20-P177 HydrophobicContact CB-CG 4.39Å; W21-P177 HydrophobicContact CD2-CB 3.99Å; W21-P177 HydrophobicContact CD2-CG 4.31Å; W21-P177 HydrophobicContact CE3-CB 4.06Å; W21-P177 HydrophobicContact CH2-CB 3.7Å; W21-P177 HydrophobicContact CZ2-CB 3.6Å; W21-P177 HydrophobicContact CZ2-CG 4.43Å; W21-P177 HydrophobicContact CZ3-CB 3.93Å; V91-P177 HydrophobicContact CG1-CG 4.42Å; Y95-P177 WeakPolarHBondContact CD2-O 3.06Å; L139-P177 HydrophobicContact CD1-CB 4.05Å; L139-P177 HydrophobicContact CD1-CG 3.94Å; F141-P177 HydrophobicContact CE2-CB 4.12Å; P177-I196 VanDerWaalsContact C-CD1 3.44Å; P177-I196 HydrophobicContact CB-CD1 3.9Å; P177-I196 WeakPolarHBondContact O-CD1 3.25Å | ||
| 178 | L | 92.6 | Very high | 92.7 | Very high | 36 Ų | 36 | 42.1 Ų | 42.1 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -86.8 | 136.8 | -178 | -63.5 | -179.8 | 0 | 0 | 0 | 111.8 | V91 K94 D176 | V91-L178 HydrophobicContact CG1-CD2 4.5Å; K94-L178 HydrophobicContact CB-CD2 4.19Å; K94-L178 HydrophobicContact CD-CD1 4.18Å; K94-L178 HydrophobicContact CD-CD2 3.99Å; K94-L178 HydrophobicContact CG-CD2 3.97Å; D176-L178 HydrophobicContact CB-CD1 4.34Å; D176-L178 HydrophobicContact CB-CG 3.98Å; D176-L178 PolarHBondContact O-N 3.48Å | ||
| 179 | P | 91.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 145.3 | 175.5 | -30.2 | 41.2 | 0 | 0 | 0 | 114.6 | Y95 M98 C99 I196 P197 T198 | Y95-P179 HydrophobicContact CD2-CG 3.89Å; Y95-P179 HydrophobicContact CE2-CG 4.19Å; M98-P179 HydrophobicContact CB-CB 3.89Å; M98-P179 HydrophobicContact CB-CG 3.68Å; M98-P179 WeakPolarHBondContact CE-O 3.32Å; C99-P179 HydrophobicContact CB-CG 3.75Å; P179-I196 HydrophobicContact CB-CG2 4.14Å; P179-I196 HydrophobicContact CG-CG2 3.93Å; P179-P197 WeakPolarHBondContact CB-O 3.4Å; P179-T198 HydrophobicContact CB-CG2 3.88Å |
| 180 | G | 87.4 | Confident | 92.3 | Very high | 27 Ų | 27 | 42 Ų | 42 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.7 | -35.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R195 I196 | G180-R195 PolarHBondContact O-NE 2.9Å; G180-I196 PolarHBondContact N-O 2.87Å |
| 181 | A | 85.3 | Confident | 92.2 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -76.5 | 150 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L183 | A181-L183 HydrophobicContact CB-CD2 4.3Š|
| 182 | M | 87.8 | Confident | 92 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 24% | 0.241 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 113 | 168.8 | -169.7 | 72.4 | -157.5 | 0 | 0 | 108.3 | K193 L194 R195 L210 | M182-K193 VanDerWaalsContact CE-C 3.5Å; M182-K193 HydrophobicContact CE-CB 3.64Å; M182-L194 VanDerWaalsContact CE-N 3.33Å; M182-R195 HydrophobicContact SD-CB 3.85Å; M182-L210 HydrophobicContact CE-CD2 3.6Å; M182-L210 HydrophobicContact SD-CD2 3.92Å |
| 183 | L | 92.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 137.4 | -178 | -56 | 178.7 | 0 | 0 | 0 | 109.9 | W21 E175 A181 L185 K193 L194 I196 | W21-L183 HydrophobicContact CH2-CD1 3.68Å; W21-L183 HydrophobicContact CZ2-CD1 3.86Å; E175-L183 HydrophobicContact CB-CD2 4.08Å; E175-L183 WeakPolarHBondContact OE2-CD2 3.46Å; A181-L183 HydrophobicContact CB-CD2 4.3Å; L183-L185 HydrophobicContact CB-CD2 4.03Å; L183-L185 HydrophobicContact CB-CG 4.22Å; L183-K193 VanDerWaalsContact O-CA 3.3Å; L183-K193 WeakPolarHBondContact O-CA 3.21Å; L183-L194 HydrophobicContact CB-CD1 4.07Å; L183-L194 HydrophobicContact CB-CG 4.39Å; L183-L194 HydrophobicContact CD1-CD1 3.91Å; L183-L194 HydrophobicContact CG-CD1 4.31Å; L183-L194 PolarHBondContact N-O 2.93Å; L183-L194 PolarHBondContact O-N 3.45Å; L183-I196 HydrophobicContact CD1-CD1 3.89Å; L183-I196 HydrophobicContact CD1-CG1 4.47Å |
| 184 | S | 92.9 | Very high | 91.8 | Very high | 58 Ų | 58 | 35 Ų | 35 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 98.8 | 173.9 | -63.3 | 0 | 0 | 0 | 0 | 108.9 | P186 | S184-P186 WeakPolarHBondContact O-CD 3.3Å |
| 185 | L | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 112.7 | -168.8 | -54.1 | -178.7 | 0 | 0 | 0 | 110.3 | W21 F144 W174 L183 F187 V191 V192 L194 | W21-L185 HydrophobicContact CH2-CD1 3.7Å; W21-L185 HydrophobicContact CZ2-CD1 4.08Å; W21-L185 HydrophobicContact CZ2-CD2 4.24Å; W21-L185 HydrophobicContact CZ3-CD1 4.13Å; F144-L185 HydrophobicContact CE2-CD1 3.94Å; F144-L185 HydrophobicContact CZ-CD1 3.77Å; W174-L185 HydrophobicContact CB-CD2 3.92Å; W174-L185 HydrophobicContact CD2-CB 4.03Å; W174-L185 HydrophobicContact CD2-CD1 4.14Å; W174-L185 HydrophobicContact CD2-CD2 4.04Å; W174-L185 HydrophobicContact CD2-CG 4.29Å; W174-L185 HydrophobicContact CE3-CD1 3.95Å; W174-L185 HydrophobicContact CE3-CD2 4.48Å; W174-L185 HydrophobicContact CG-CB 4.32Å; W174-L185 HydrophobicContact CG-CD2 3.8Å; W174-L185 HydrophobicContact CG-CG 4.5Å; W174-L185 HydrophobicContact CZ2-CB 4.11Å; W174-L185 HydrophobicContact CZ3-CD1 4.18Å; L183-L185 HydrophobicContact CB-CD2 4.03Å; L183-L185 HydrophobicContact CB-CG 4.22Å; L185-F187 PolarHBondContact O-N 2.95Å; L185-V191 WeakPolarHBondContact O-CA 3.37Å; L185-V192 PolarHBondContact N-O 3.32Å; L185-V192 PolarHBondContact O-N 3.24Å; L185-L194 HydrophobicContact CD1-CD2 3.79Å; L185-L194 HydrophobicContact CD1-CG 4.3Å |
| 186 | P | 93.5 | Very high | 91.4 | Very high | 67 Ų | 67 | 30.9 Ų | 30.9 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 132 | 172.3 | -19.6 | 32.6 | 0 | 0 | 0 | 110.4 | W174 S184 | W174-P186 PolarHBondContact NE1-O 3.19Å; S184-P186 WeakPolarHBondContact O-CD 3.3Å |
| 187 | F | 94.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 113.7 | -179.7 | -174.5 | -104.1 | 0 | 0 | 0 | 111.4 | I148 L152 V167 E170 W174 L185 G189 S190 V192 | I148-F187 HydrophobicContact CB-CZ 4.24Å; I148-F187 HydrophobicContact CD1-CD1 3.93Å; I148-F187 HydrophobicContact CD1-CD2 3.82Å; I148-F187 HydrophobicContact CD1-CE1 4Å; I148-F187 HydrophobicContact CD1-CE2 3.88Å; I148-F187 HydrophobicContact CD1-CG 3.83Å; I148-F187 HydrophobicContact CD1-CZ 3.98Å; I148-F187 HydrophobicContact CG2-CE1 4.49Å; I148-F187 HydrophobicContact CG2-CE2 3.73Å; I148-F187 HydrophobicContact CG2-CZ 3.63Å; L152-F187 HydrophobicContact CB-CZ 4.26Å; V167-F187 HydrophobicContact CG1-CD2 4.33Å; V167-F187 HydrophobicContact CG1-CE2 3.64Å; V167-F187 HydrophobicContact CG2-CE2 4.45Å; E170-F187 VanDerWaalsContact OE2-CA 3.27Å; E170-F187 WeakPolarHBondContact OE2-CA 3.45Å; W174-F187 HydrophobicContact CH2-CD2 4.26Å; W174-F187 HydrophobicContact CZ2-CB 4.21Å; W174-F187 AromaticContact CZ2-CD2 3.9Å; W174-F187 HydrophobicContact CZ2-CD2 3.9Å; W174-F187 HydrophobicContact CZ2-CG 4.45Å; L185-F187 PolarHBondContact O-N 2.95Å; F187-G189 VanDerWaalsContact C-N 3.31Å; F187-G189 PolarHBondContact O-N 3.32Å; F187-S190 PolarHBondContact N-O 3.11Å; F187-S190 PolarHBondContact O-N 3.38Å; F187-S190 PolarHBondContact O-OG 2.84Å; F187-V192 HydrophobicContact CB-CG2 4.17Å |
| 188 | M | 91.5 | Very high | 90.9 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 31% | 0.305 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.7 | 175.1 | -62.1 | -175.4 | 64.3 | 0 | 0 | 113.1 | L152 A155 L163 V167 E170 S190 | L152-M188 HydrophobicContact CB-SD 4.28Å; L152-M188 HydrophobicContact CD1-SD 4.11Å; A155-M188 HydrophobicContact CB-CE 3.88Å; L163-M188 HydrophobicContact CD1-CE 3.9Å; L163-M188 HydrophobicContact CD2-CE 4.27Å; V167-M188 HydrophobicContact CG2-CG 3.71Å; V167-M188 HydrophobicContact CG2-SD 4.2Å; E170-M188 PolarHBondContact OE2-N 2.92Å; M188-S190 VanDerWaalsContact C-N 3.27Å; M188-S190 PolarHBondContact O-N 3.08Å |
| 189 | G | 89.1 | Confident | 90.4 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 71% | 0.711 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.7 | F187 | F187-G189 VanDerWaalsContact C-N 3.31Å; F187-G189 PolarHBondContact O-N 3.32Å |
| 190 | S | 90.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 173.4 | 172.7 | 71.3 | 0 | 0 | 0 | 0 | 111.3 | F187 M188 N218 | F187-S190 PolarHBondContact N-O 3.11Å; F187-S190 PolarHBondContact O-N 3.38Å; F187-S190 PolarHBondContact O-OG 2.84Å; M188-S190 VanDerWaalsContact C-N 3.27Å; M188-S190 PolarHBondContact O-N 3.08Å; S190-N218 CarbonylContact C-O 3.49Å; S190-N218 WeakPolarHBondContact CA-O 3.45Å; S190-N218 WeakPolarHBondContact CB-O 3.39Å |
| 191 | V | 91.5 | Very high | 89 | Confident | 51 Ų | 51 | 38.7 Ų | 38.7 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.5 | 173.9 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | L185 K193 N218 C219 F220 | L185-V191 WeakPolarHBondContact O-CA 3.37Å; V191-K193 HydrophobicContact CG1-CG 4.2Å; V191-N218 PolarHBondContact N-O 2.87Å; V191-C219 CarbonylContact O-C 3.58Å; V191-C219 WeakPolarHBondContact O-CA 3.38Å; V191-F220 PolarHBondContact O-N 3.5Å |
| 192 | V | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 110.1 | 172.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | F144 L185 F187 L194 F220 L222 | F144-V192 HydrophobicContact CD2-CG1 4.45Å; F144-V192 HydrophobicContact CE2-CG1 4.18Å; L185-V192 PolarHBondContact N-O 3.32Å; L185-V192 PolarHBondContact O-N 3.24Å; F187-V192 HydrophobicContact CB-CG2 4.17Å; V192-L194 HydrophobicContact CG1-CD2 4.35Å; V192-F220 CarbonylContact C-O 3.52Å; V192-F220 WeakPolarHBondContact CA-O 3.4Å; V192-L222 HydrophobicContact CG1-CB 4.44Å |
| 193 | K | 91.6 | Very high | 86.3 | Confident | 56 Ų | 56 | 42 Ų | 42 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.6 | 174.5 | -74.6 | -167.1 | 178.6 | -177.3 | 0 | 110.1 | M182 L183 V191 F220 V221 L222 | M182-K193 VanDerWaalsContact CE-C 3.5Å; M182-K193 HydrophobicContact CE-CB 3.64Å; L183-K193 VanDerWaalsContact O-CA 3.3Å; L183-K193 WeakPolarHBondContact O-CA 3.21Å; V191-K193 HydrophobicContact CG1-CG 4.2Å; K193-F220 PolarHBondContact N-O 2.7Å; K193-V221 HydrophobicContact CB-CG2 4.28Å; K193-V221 CarbonylContact O-C 3.54Å; K193-V221 WeakPolarHBondContact O-CA 3.22Å; K193-L222 PolarHBondContact O-N 3.49Å |
| 194 | L | 91.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 162.5 | 179.6 | 65.9 | 82 | 0 | 0 | 0 | 112.1 | F144 M182 L183 L185 V192 I196 L222 V225 | F144-L194 HydrophobicContact CD2-CD2 3.29Å; F144-L194 HydrophobicContact CE2-CD2 3.34Å; F144-L194 HydrophobicContact CG-CD2 4.07Å; F144-L194 HydrophobicContact CZ-CD2 4.15Å; M182-L194 VanDerWaalsContact CE-N 3.33Å; L183-L194 HydrophobicContact CB-CD1 4.07Å; L183-L194 HydrophobicContact CB-CG 4.39Å; L183-L194 HydrophobicContact CD1-CD1 3.91Å; L183-L194 HydrophobicContact CG-CD1 4.31Å; L183-L194 PolarHBondContact N-O 2.93Å; L183-L194 PolarHBondContact O-N 3.45Å; L185-L194 HydrophobicContact CD1-CD2 3.79Å; L185-L194 HydrophobicContact CD1-CG 4.3Å; V192-L194 HydrophobicContact CG1-CD2 4.35Å; L194-I196 HydrophobicContact CD1-CG1 3.96Å; L194-L222 HydrophobicContact CB-CB 4.07Å; L194-L222 HydrophobicContact CB-CD2 4.46Å; L194-L222 HydrophobicContact CD2-CD2 4.46Å; L194-V225 HydrophobicContact CB-CG1 4.21Å; L194-V225 HydrophobicContact CD1-CG1 3.85Å; L194-V225 HydrophobicContact CD2-CG1 4.21Å; L194-V225 HydrophobicContact CG-CG1 4.33Å |
| 195 | R | 89.7 | Confident | 82.3 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.2 | 169.4 | -179.4 | 174.1 | 178.3 | -83 | 4.5 | 109.7 | G180 M182 D201 | G180-R195 PolarHBondContact O-NE 2.9Å; M182-R195 HydrophobicContact SD-CB 3.85Å; R195-D201 IonicContact CZ-OD1 3.15Å; R195-D201 IonicContact CZ-OD2 3.87Å; R195-D201 IonicContact NH1-OD1 3.41Å; R195-D201 PolarHBondContact NH1-OD1 3.07Å; R195-D201 IonicContact NH1-OD2 3.24Å; R195-D201 PolarHBondContact NH1-OD2 3.47Å; R195-D201 IonicContact NH2-OD1 2.59Å; R195-D201 PolarHBondContact NH2-OD1 3.28Å; R195-D201 IonicContact NH2-OD2 3.34Å; R195-D201 PolarHBondContact NH2-OD2 3.42Å |
| 196 | I | 92.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -86 | 125.7 | 172.7 | -61 | 167.7 | 0 | 0 | 0 | 107.7 | W21 Y95 M103 F141 P177 P179 G180 L183 L194 V225 | W21-I196 HydrophobicContact CH2-CD1 4.34Å; Y95-I196 HydrophobicContact CE2-CG2 3.91Å; M103-I196 HydrophobicContact CE-CG2 4.5Å; F141-I196 HydrophobicContact CE1-CG2 4.37Å; F141-I196 HydrophobicContact CE2-CD1 3.86Å; F141-I196 HydrophobicContact CE2-CG1 4.33Å; F141-I196 HydrophobicContact CZ-CD1 3.71Å; F141-I196 HydrophobicContact CZ-CG1 4.04Å; F141-I196 HydrophobicContact CZ-CG2 4.21Å; P177-I196 VanDerWaalsContact C-CD1 3.44Å; P177-I196 HydrophobicContact CB-CD1 3.9Å; P177-I196 WeakPolarHBondContact O-CD1 3.25Å; P179-I196 HydrophobicContact CB-CG2 4.14Å; P179-I196 HydrophobicContact CG-CG2 3.93Å; G180-I196 PolarHBondContact N-O 2.87Å; L183-I196 HydrophobicContact CD1-CD1 3.89Å; L183-I196 HydrophobicContact CD1-CG1 4.47Å; L194-I196 HydrophobicContact CD1-CG1 3.96Å; I196-V225 HydrophobicContact CG1-CG1 4.42Å |
| 197 | P | 88.8 | Confident | 78.4 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 7% | 0.071 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 147.5 | -179.5 | -19.1 | 30.3 | 0 | 0 | 0 | 112.8 | P100 M103 P179 D201 | P100-P197 WeakPolarHBondContact CD-O 3.47Å; P100-P197 HydrophobicContact CG-CB 3.97Å; M103-P197 HydrophobicContact SD-CG 4.09Å; P179-P197 WeakPolarHBondContact CB-O 3.4Å; P197-D201 VanDerWaalsContact CA-OD2 3.23Å; P197-D201 WeakPolarHBondContact CA-OD2 3.44Å |
| 198 | T | 88.4 | Confident | 76.3 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 162.9 | 172.2 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | P179 T200 D201 | P179-T198 HydrophobicContact CB-CG2 3.88Å; T198-T200 PolarHBondContact O-N 3.4Å; T198-T200 PolarHBondContact OG1-N 3.47Å; T198-T200 PolarHBondContact OG1-OG1 3.36Å; T198-D201 PolarHBondContact N-OD2 2.94Å; T198-D201 PolarHBondContact O-N 3.37Å; T198-D201 VanDerWaalsContact OG1-CG 3.24Å; T198-D201 PolarHBondContact OG1-N 3.39Å; T198-D201 PolarHBondContact OG1-OD1 3.3Å; T198-D201 VanDerWaalsContact OG1-OD1 3.13Å |
| 199 | R | 82.2 | Confident | 74.4 | Confident | 86 Ų | 86 | 52.7 Ų | 52.7 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.3 | 173.8 | -166.4 | 171.6 | -57.9 | 127.4 | 7.3 | 113.7 | N96 S97 M98 C99 E483 | N96-R199 PolarHBondContact O-NH2 3.26Å; S97-R199 VanDerWaalsContact O-CZ 3.23Å; S97-R199 PolarHBondContact O-NH1 3.18Å; S97-R199 PolarHBondContact O-NH2 3.32Å; M98-R199 PolarHBondContact O-N 2.76Å; C99-R199 PolarHBondContact O-NE 2.81Å; C99-R199 PolarHBondContact O-NH2 3.43Å; C99-R199 VanDerWaalsContact O-NH2 3.16Å; R199-E483 WeakPolarHBondContact CD-OE1 3.5Å; R199-E483 IonicContact NE-OE1 3.74Å |
| 200 | T | 75.8 | Confident | 72.7 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.4 | -176.6 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | T198 S202 | T198-T200 PolarHBondContact O-N 3.4Å; T198-T200 PolarHBondContact OG1-N 3.47Å; T198-T200 PolarHBondContact OG1-OG1 3.36Å; T200-S202 PolarHBondContact O-N 2.91Å |
| 201 | D | 75 | Confident | 70.8 | Confident | 50 Ų | 50 | 53 Ų | 53 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | trans | -62.1 | 121.4 | 179.7 | -80.5 | -25.4 | 0 | 0 | 0 | 111.1 | R195 P197 T198 | R195-D201 IonicContact CZ-OD1 3.15Å; R195-D201 IonicContact CZ-OD2 3.87Å; R195-D201 IonicContact NH1-OD1 3.41Å; R195-D201 PolarHBondContact NH1-OD1 3.07Å; R195-D201 IonicContact NH1-OD2 3.24Å; R195-D201 PolarHBondContact NH1-OD2 3.47Å; R195-D201 IonicContact NH2-OD1 2.59Å; R195-D201 PolarHBondContact NH2-OD1 3.28Å; R195-D201 IonicContact NH2-OD2 3.34Å; R195-D201 PolarHBondContact NH2-OD2 3.42Å; P197-D201 VanDerWaalsContact CA-OD2 3.23Å; P197-D201 WeakPolarHBondContact CA-OD2 3.44Å; T198-D201 PolarHBondContact N-OD2 2.94Å; T198-D201 PolarHBondContact O-N 3.37Å; T198-D201 VanDerWaalsContact OG1-CG 3.24Å; T198-D201 PolarHBondContact OG1-N 3.39Å; T198-D201 PolarHBondContact OG1-OD1 3.3Å; T198-D201 VanDerWaalsContact OG1-OD1 3.13Å | ||
| 202 | S | 62.5 | Low | 68.8 | Low | 93 Ų | 93 | 57.2 Ų | 57.2 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | trans | -76.5 | 149.7 | 173.4 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | T200 G204 A205 | T200-S202 PolarHBondContact O-N 2.91Å; S202-G204 PolarHBondContact O-N 2.89Å; S202-A205 PolarHBondContact O-N 2.92Å; S202-A205 VanDerWaalsContact O-N 3.13Å | ||
| 203 | S | 52.7 | Low | 66.7 | Low | 76 Ų | 76 | 61.1 Ų | 61.1 | 53% | 0.531 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 104.3 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | Q422 | S203-Q422 PolarHBondContact OG-NE2 3.32Å; S203-Q422 VanDerWaalsContact OG-NE2 3.09Å; S203-Q422 PolarHBondContact OG-OE1 2.69Å |
| 204 | G | 50.7 | Low | 64.8 | Low | 37 Ų | 37 | 65.2 Ų | 65.2 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.6 | -13.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S202 K206 E207 | S202-G204 PolarHBondContact O-N 2.89Å; G204-K206 PolarHBondContact O-N 3Å; G204-E207 PolarHBondContact O-N 3.45Å |
| 205 | A | 51.7 | Low | 62.9 | Low | 34 Ų | 34 | 67.1 Ų | 67.1 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.3 | -25 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S202 E207 | S202-A205 PolarHBondContact O-N 2.92Å; S202-A205 VanDerWaalsContact O-N 3.13Å; A205-E207 PolarHBondContact O-N 3.06Å |
| 206 | K | 54.1 | Low | 61.4 | Low | 73 Ų | 73 | 67.9 Ų | 67.9 | 32% | 0.317 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.2 | -44.5 | 178.3 | -70.4 | 177.8 | 177.2 | 165.8 | 0 | 113.4 | G204 L210 E227 | G204-K206 PolarHBondContact O-N 3Å; K206-L210 PolarHBondContact O-N 3.34Å; K206-E227 IonicContact NZ-OE1 3.97Å; K206-E227 PolarHBondContact NZ-OE1 2.95Å |
| 207 | E | 50.8 | Low | 60.3 | Low | 120 Ų | 120 | 77.1 Ų | 77.1 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.2 | -37.4 | -166.7 | -67.6 | 140.5 | 172.8 | 0 | 0 | 111.9 | G204 A205 G211 | G204-E207 PolarHBondContact O-N 3.45Å; A205-E207 PolarHBondContact O-N 3.06Å; E207-G211 PolarHBondContact O-N 3.2Å; E207-G211 VanDerWaalsContact O-N 3.16Å |
| 208 | A | 49.3 | Very low | 59.9 | Low | 70 Ų | 70 | 82 Ų | 82 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L212 | A208-L212 VanDerWaalsContact O-CD1 3.31Å; A208-L212 WeakPolarHBondContact O-CD1 3.46Å; A208-L212 WeakPolarHBondContact O-CG 2.91Å |
| 209 | L | 52.2 | Low | 59.7 | Low | 82 Ų | 82 | 82.3 Ų | 82.3 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -79.4 | -43.3 | -177.3 | -92.9 | 131 | 0 | 0 | 0 | 113 | H213 | L209-H213 PolarHBondContact O-CD2 3.39Å |
| 210 | L | 54.1 | Low | 59.8 | Low | 28 Ų | 28 | 82.8 Ų | 82.8 | 15% | 0.147 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -78.5 | -33.6 | -177 | -70.1 | 163.7 | 0 | 0 | 0 | 112.6 | M182 K206 L212 H213 V221 | M182-L210 HydrophobicContact CE-CD2 3.6Å; M182-L210 HydrophobicContact SD-CD2 3.92Å; K206-L210 PolarHBondContact O-N 3.34Å; L210-L212 PolarHBondContact O-N 3.21Å; L210-L212 VanDerWaalsContact O-N 3.14Å; L210-H213 PolarHBondContact O-N 2.92Å; L210-V221 HydrophobicContact CB-CG1 4.47Å; L210-V221 HydrophobicContact CD2-CG1 3.64Å |
| 211 | G | 51 | Low | 60.1 | Low | 65 Ų | 65 | 79.3 Ų | 79.3 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E207 H213 | E207-G211 PolarHBondContact O-N 3.2Å; E207-G211 VanDerWaalsContact O-N 3.16Å; G211-H213 VanDerWaalsContact C-N 3.32Å |
| 212 | L | 48.5 | Very low | 60.6 | Low | 141 Ų | 141 | 77.9 Ų | 77.9 | 74% | 0.738 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.1 | 179.2 | -67.9 | 168.6 | 0 | 0 | 0 | 113.8 | A208 L210 | A208-L212 VanDerWaalsContact O-CD1 3.31Å; A208-L212 WeakPolarHBondContact O-CD1 3.46Å; A208-L212 WeakPolarHBondContact O-CG 2.91Å; L210-L212 PolarHBondContact O-N 3.21Å; L210-L212 VanDerWaalsContact O-N 3.14Å |
| 213 | H | 48.8 | Very low | 61.3 | Low | 81 Ų | 81 | 77.9 Ų | 77.9 | 38% | 0.375 | 48% | 0.475 | S | S | . | . | trans | -111 | 87.1 | -175.7 | -63.3 | -58.2 | 0 | 0 | 0 | 111.4 | L209 L210 G211 G215 V221 | L209-H213 PolarHBondContact O-CD2 3.39Å; L210-H213 PolarHBondContact O-N 2.92Å; G211-H213 VanDerWaalsContact C-N 3.32Å; H213-G215 PolarHBondContact O-N 3.23Å; H213-G215 VanDerWaalsContact O-N 3.1Å; H213-V221 HydrophobicContact CB-CG2 4.5Å | ||
| 214 | T | 51.3 | Low | 62.7 | Low | 142 Ų | 142 | 74.6 Ų | 74.6 | 87% | 0.871 | 45% | 0.452 | S | S | * | . | trans | -67.6 | 103.3 | 162.9 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 215 | G | 51.9 | Low | 64.4 | Low | 41 Ų | 41 | 72.8 Ų | 72.8 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | trans | -68.3 | 134.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H213 | H213-G215 PolarHBondContact O-N 3.23Å; H213-G215 VanDerWaalsContact O-N 3.1Å | ||
| 216 | G | 57.7 | Low | 65.9 | Low | 53 Ų | 53 | 71.5 Ų | 71.5 | 55% | 0.546 | 42% | 0.422 | S | S | . | . | trans | -65.7 | 176 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | N218 C219 | G216-N218 PolarHBondContact O-N 3.34Å; G216-C219 PolarHBondContact O-N 2.87Å | ||
| 217 | E | 69 | Low | 66.9 | Low | 195 Ų | 195 | 68.9 Ų | 68.9 | 91% | 0.911 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -29.3 | -170.6 | -68.6 | -174.6 | 153 | 0 | 0 | 115.1 | ||
| 218 | N | 80.1 | Confident | 67.7 | Low | 112 Ų | 112 | 63.5 Ų | 63.5 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 20.5 | 179.6 | -68.6 | -10.9 | 0 | 0 | 0 | 114.1 | S190 V191 G216 | S190-N218 CarbonylContact C-O 3.49Å; S190-N218 WeakPolarHBondContact CA-O 3.45Å; S190-N218 WeakPolarHBondContact CB-O 3.39Å; V191-N218 PolarHBondContact N-O 2.87Å; G216-N218 PolarHBondContact O-N 3.34Å |
| 219 | C | 84.4 | Confident | 68.6 | Low | 28 Ų | 28 | 62.3 Ų | 62.3 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 118.4 | 179.9 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | V191 G216 | V191-C219 CarbonylContact O-C 3.58Å; V191-C219 WeakPolarHBondContact O-CA 3.38Å; G216-C219 PolarHBondContact O-N 2.87Å |
| 220 | F | 83.3 | Confident | 69 | Low | 96 Ų | 96 | 58.8 Ų | 58.8 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.3 | 178.7 | -61.2 | -73.9 | 0 | 0 | 0 | 110.5 | V191 V192 K193 | V191-F220 PolarHBondContact O-N 3.5Å; V192-F220 CarbonylContact C-O 3.52Å; V192-F220 WeakPolarHBondContact CA-O 3.4Å; K193-F220 PolarHBondContact N-O 2.7Å |
| 221 | V | 83.8 | Confident | 69 | Low | 48 Ų | 48 | 58 Ų | 58 | 29% | 0.291 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.7 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | K193 L210 H213 P223 | K193-V221 HydrophobicContact CB-CG2 4.28Å; K193-V221 CarbonylContact O-C 3.54Å; K193-V221 WeakPolarHBondContact O-CA 3.22Å; L210-V221 HydrophobicContact CB-CG1 4.47Å; L210-V221 HydrophobicContact CD2-CG1 3.64Å; H213-V221 HydrophobicContact CB-CG2 4.5Å; V221-P223 WeakPolarHBondContact O-CD 3.16Å |
| 222 | L | 83.7 | Confident | 69.2 | Low | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | trans | -84.9 | 114.7 | 177.5 | -168.4 | 74 | 0 | 0 | 0 | 109.5 | F144 H147 V192 K193 L194 S224 V225 | F144-L222 HydrophobicContact CB-CD2 3.8Å; F144-L222 HydrophobicContact CD2-CD2 4.02Å; F144-L222 HydrophobicContact CG-CD2 4.42Å; H147-L222 HydrophobicContact CB-CD1 4.47Å; V192-L222 HydrophobicContact CG1-CB 4.44Å; K193-L222 PolarHBondContact O-N 3.49Å; L194-L222 HydrophobicContact CB-CB 4.07Å; L194-L222 HydrophobicContact CB-CD2 4.46Å; L194-L222 HydrophobicContact CD2-CD2 4.46Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 WeakPolarHBondContact CG-O 3.34Å; L222-S224 PolarHBondContact O-N 2.91Å; L222-V225 HydrophobicContact CD2-CG1 4.3Å | ||
| 223 | P | 77.7 | Confident | 69.3 | Low | 92 Ų | 92 | 51.2 Ų | 51.2 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -70.1 | -24 | -173.9 | 27 | -34.7 | 0 | 0 | 0 | 113.5 | V221 | V221-P223 WeakPolarHBondContact O-CD 3.16Š|
| 224 | S | 82.8 | Confident | 69.3 | Low | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | trans | -158.3 | 138.9 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | N143 L222 H226 E227 | N143-S224 VanDerWaalsContact CB-O 3.22Å; N143-S224 WeakPolarHBondContact CB-O 3.33Å; N143-S224 PolarHBondContact ND2-O 2.87Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 WeakPolarHBondContact CG-O 3.34Å; L222-S224 PolarHBondContact O-N 2.91Å; S224-H226 PolarHBondContact OG-N 3.41Å; S224-H226 PolarHBondContact OG-ND1 2.93Å; S224-E227 WeakPolarHBondContact CB-OE2 3.44Å; S224-E227 WeakPolarHBondContact OG-CB 3.4Å; S224-E227 WeakPolarHBondContact OG-CG 3.31Å; S224-E227 PolarHBondContact OG-N 3.33Å | ||
| 225 | V | 86.9 | Confident | 69.1 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -77.1 | -28.9 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 113.7 | M103 F141 I142 N143 F144 L194 I196 L222 | M103-V225 HydrophobicContact CE-CG2 3.65Å; F141-V225 CarbonylContact C-O 3.53Å; F141-V225 VanDerWaalsContact CA-O 3.25Å; F141-V225 WeakPolarHBondContact CA-O 3.37Å; F141-V225 HydrophobicContact CB-CB 4.16Å; F141-V225 HydrophobicContact CD1-CB 4.18Å; F141-V225 HydrophobicContact CD1-CG2 3.95Å; F141-V225 HydrophobicContact CE1-CG2 4.31Å; F141-V225 HydrophobicContact CG-CB 4.16Å; F141-V225 HydrophobicContact CG-CG2 4.43Å; I142-V225 PolarHBondContact N-O 3.05Å; I142-V225 VanDerWaalsContact N-O 3.16Å; N143-V225 PolarHBondContact N-O 3.29Å; F144-V225 HydrophobicContact CB-CB 4.44Å; F144-V225 PolarHBondContact N-O 3.07Å; L194-V225 HydrophobicContact CB-CG1 4.21Å; L194-V225 HydrophobicContact CD1-CG1 3.85Å; L194-V225 HydrophobicContact CD2-CG1 4.21Å; L194-V225 HydrophobicContact CG-CG1 4.33Å; I196-V225 HydrophobicContact CG1-CG1 4.42Å; L222-V225 HydrophobicContact CD2-CG1 4.3Å |
| 226 | H | 82.3 | Confident | 68.7 | Low | 7 Ų | 7 | 51.6 Ų | 51.6 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -117.7 | -16.3 | -167.4 | 62 | -79.1 | 0 | 0 | 0 | 114.5 | M103 S224 P228 N289 W292 | M103-H226 HydrophobicContact CE-CB 4.08Å; M103-H226 HydrophobicContact CG-CB 4.39Å; M103-H226 HydrophobicContact SD-CB 4.11Å; M103-H226 VanDerWaalsContact SD-CG 3.6Å; M103-H226 PolarHBondContact SD-ND1 3.16Å; S224-H226 PolarHBondContact OG-N 3.41Å; S224-H226 PolarHBondContact OG-ND1 2.93Å; H226-P228 VanDerWaalsContact O-CD 3.3Å; H226-P228 WeakPolarHBondContact O-CD 3.41Å; H226-N289 PolarHBondContact O-ND2 3.23Å; H226-W292 AromaticContact CD2-CZ3 3.76Å; H226-W292 AromaticContact NE2-CH2 3.59Å; H226-W292 AromaticContact NE2-CZ2 3.85Å; H226-W292 AromaticContact NE2-CZ3 3.68Å |
| 227 | E | 74.4 | Confident | 68.1 | Low | 17 Ų | 17 | 51.4 Ų | 51.4 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | trans | -94.7 | 105.1 | -166.9 | -60.5 | 172.7 | 166.3 | 0 | 0 | 114 | N143 K206 S224 R414 | N143-E227 PolarHBondContact ND2-O 3.42Å; N143-E227 PolarHBondContact OD1-O 3.41Å; N143-E227 VanDerWaalsContact OD1-O 3.07Å; K206-E227 IonicContact NZ-OE1 3.97Å; K206-E227 PolarHBondContact NZ-OE1 2.95Å; S224-E227 WeakPolarHBondContact CB-OE2 3.44Å; S224-E227 WeakPolarHBondContact OG-CB 3.4Å; S224-E227 WeakPolarHBondContact OG-CG 3.31Å; S224-E227 PolarHBondContact OG-N 3.33Å; E227-R414 VanDerWaalsContact C-NH2 3.32Å; E227-R414 PolarHBondContact O-NH2 3.12Å; E227-R414 WeakPolarHBondContact OE2-CD 3.48Å; E227-R414 IonicContact OE2-CZ 3.55Å; E227-R414 VanDerWaalsContact OE2-CZ 3.28Å; E227-R414 IonicContact OE2-NE 3.78Å; E227-R414 IonicContact OE2-NH1 2.67Å; E227-R414 PolarHBondContact OE2-NH1 2.75Å | ||
| 228 | P | 69.7 | Low | 66.6 | Low | 7 Ų | 7 | 44.3 Ų | 44.3 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | trans | -66.3 | 149.4 | 179.6 | 32.2 | -37 | 0 | 0 | 0 | 112 | N143 H226 L230 Q285 N289 R414 | N143-P228 WeakPolarHBondContact OD1-CA 3.34Å; H226-P228 VanDerWaalsContact O-CD 3.3Å; H226-P228 WeakPolarHBondContact O-CD 3.41Å; P228-L230 HydrophobicContact CG-CD2 4.42Å; P228-L230 PolarHBondContact O-N 3.19Å; P228-Q285 HydrophobicContact CG-CB 4.16Å; P228-Q285 HydrophobicContact CG-CG 3.83Å; P228-N289 WeakPolarHBondContact CD-ND2 3.23Å; P228-R414 PolarHBondContact O-NH2 2.87Å | ||
| 229 | E | 67.4 | Low | 64.5 | Low | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | trans | -53.2 | 114.8 | 170.3 | -90.8 | 175.2 | -170.2 | 0 | 0 | 110.4 | ||||
| 230 | L | 60.8 | Low | 62 | Low | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -86.5 | -35.2 | -174.4 | -64.3 | -177.8 | 0 | 0 | 0 | 111.6 | P228 L250 A286 T410 I413 R414 | P228-L230 HydrophobicContact CG-CD2 4.42Å; P228-L230 PolarHBondContact O-N 3.19Å; L230-L250 HydrophobicContact CB-CD1 4.12Å; L230-L250 HydrophobicContact CD2-CD1 4.14Å; L230-L250 VanDerWaalsContact O-CB 3.25Å; L230-L250 WeakPolarHBondContact O-CB 3.2Å; L230-L250 PolarHBondContact O-N 3.16Å; L230-A286 HydrophobicContact CD2-CB 3.37Å; L230-T410 HydrophobicContact CB-CG2 3.91Å; L230-T410 HydrophobicContact CD1-CG2 4.47Å; L230-T410 HydrophobicContact CG-CG2 4.02Å; L230-T410 PolarHBondContact N-OG1 3.46Å; L230-I413 HydrophobicContact CB-CD1 4.48Å; L230-I413 HydrophobicContact CD1-CB 4.17Å; L230-I413 HydrophobicContact CD1-CG2 3.68Å; L230-R414 HydrophobicContact CD1-CG 3.44Å; L230-R414 VanDerWaalsContact CD1-CG 3.44Å; L230-R414 HydrophobicContact CG-CG 4.39Å |
| 231 | F | 54.7 | Low | 59.5 | Low | 12 Ų | 12 | 59.8 Ų | 59.8 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -81.8 | -56.4 | -168 | -169.9 | -101.7 | 0 | 0 | 0 | 112.9 | L254 L396 V400 Q409 T410 I413 | F231-L254 HydrophobicContact CE2-CD1 4.1Å; F231-L396 HydrophobicContact CE2-CB 4.5Å; F231-L396 HydrophobicContact CE2-CD2 4.46Å; F231-V400 HydrophobicContact CE1-CG2 4.26Å; F231-V400 HydrophobicContact CZ-CG2 3.53Å; F231-Q409 HydrophobicContact CB-CB 3.78Å; F231-Q409 HydrophobicContact CD1-CB 3.58Å; F231-Q409 HydrophobicContact CD1-CG 3.87Å; F231-Q409 HydrophobicContact CD2-CB 3.41Å; F231-Q409 VanDerWaalsContact CD2-CB 3.41Å; F231-Q409 HydrophobicContact CD2-CG 4.14Å; F231-Q409 HydrophobicContact CE1-CB 3.98Å; F231-Q409 HydrophobicContact CE1-CG 3.79Å; F231-Q409 HydrophobicContact CE2-CB 3.81Å; F231-Q409 HydrophobicContact CE2-CG 4.05Å; F231-Q409 HydrophobicContact CG-CB 3.27Å; F231-Q409 HydrophobicContact CG-CG 4.04Å; F231-Q409 HydrophobicContact CZ-CB 4.09Å; F231-Q409 HydrophobicContact CZ-CG 3.89Å; F231-T410 VanDerWaalsContact CB-OG1 3.29Å; F231-T410 WeakPolarHBondContact CB-OG1 3.1Å; F231-T410 PolarHBondContact N-OG1 3.37Å; F231-I413 HydrophobicContact CB-CD1 4.49Å; F231-I413 HydrophobicContact CD2-CD1 3.92Å |
| 232 | E | 54.6 | Low | 57 | Low | 48 Ų | 48 | 64 Ų | 64 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | trans | -139.3 | 127.4 | -178.1 | -170.2 | 172.4 | -176.1 | 0 | 0 | 107.3 | V234 | E232-V234 HydrophobicContact CG-CG2 4.16Š| ||
| 233 | Y | 51.1 | Low | 54.4 | Low | 14 Ų | 14 | 70.7 Ų | 70.7 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -100.1 | 114.1 | 175.8 | 172.6 | -95.4 | 0 | 0 | 0 | 107.9 | L73 R146 P235 F247 C249 D278 A282 | L73-Y233 PolarHBondContact O-OH 2.87Å; R146-Y233 PolarHBondContact NH2-OH 3.22Å; Y233-P235 HydrophobicContact CD1-CG 4.37Å; Y233-P235 HydrophobicContact CE1-CB 4.48Å; Y233-P235 HydrophobicContact CE1-CG 3.88Å; Y233-F247 PolarHBondContact N-O 3.22Å; Y233-F247 PolarHBondContact O-N 3Å; Y233-C249 WeakPolarHBondContact CB-SG 3.35Å; Y233-D278 HydrophobicContact CE1-CB 4.21Å; Y233-D278 WeakPolarHBondContact CE1-OD2 3.48Å; Y233-D278 WeakPolarHBondContact OH-CB 3.38Å; Y233-D278 PolarHBondContact OH-OD2 3.29Å; Y233-A282 HydrophobicContact CD2-CB 4.24Å |
| 234 | V | 48 | Very low | 52.1 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 30% | 0.297 | 34% | 0.338 | S | S | . | . | trans | -108.2 | 113 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | E232 R236 | E232-V234 HydrophobicContact CG-CG2 4.16Å; V234-R236 PolarHBondContact O-N 3.07Å | ||
| 235 | P | 46.3 | Very low | 49.8 | Very low | 38 Ų | 38 | 75.8 Ų | 75.8 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | trans | -59.1 | 108.8 | 170.2 | -13.9 | 24.3 | 0 | 0 | 0 | 108.4 | Y233 I237 | Y233-P235 HydrophobicContact CD1-CG 4.37Å; Y233-P235 HydrophobicContact CE1-CB 4.48Å; Y233-P235 HydrophobicContact CE1-CG 3.88Å; P235-I237 PolarHBondContact O-N 2.82Å | ||
| 236 | R | 44.9 | Very low | 47.5 | Very low | 186 Ų | 186 | 78.8 Ų | 78.8 | 70% | 0.702 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -2.7 | -178.3 | -80.7 | -171.7 | 179.9 | -155.2 | -0.4 | 114.3 | V234 A238 | V234-R236 PolarHBondContact O-N 3.07Å; R236-A238 VanDerWaalsContact C-N 3.33Å; R236-A238 PolarHBondContact O-N 2.88Å |
| 237 | I | 44.5 | Very low | 45.7 | Very low | 49 Ų | 49 | 79.2 Ų | 79.2 | 25% | 0.251 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -11.3 | -172 | -50.6 | 160.3 | 0 | 0 | 0 | 111.9 | D71 L73 F115 P235 K239 | D71-I237 HydrophobicContact CB-CD1 4.22Å; D71-I237 HydrophobicContact CB-CG2 3.99Å; L73-I237 HydrophobicContact CB-CD1 4.04Å; F115-I237 HydrophobicContact CD2-CD1 4.11Å; F115-I237 HydrophobicContact CE2-CD1 3.38Å; F115-I237 HydrophobicContact CE2-CG1 4.04Å; F115-I237 HydrophobicContact CE2-CG2 4.37Å; F115-I237 HydrophobicContact CZ-CD1 3.98Å; F115-I237 HydrophobicContact CZ-CG2 4.17Å; P235-I237 PolarHBondContact O-N 2.82Å; I237-K239 PolarHBondContact O-N 3.48Å |
| 238 | A | 36.8 | Very low | 44.6 | Very low | 46 Ų | 46 | 80.1 Ų | 80.1 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | trans | -91.8 | 72.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R236 V240 | R236-A238 VanDerWaalsContact C-N 3.33Å; R236-A238 PolarHBondContact O-N 2.88Å; A238-V240 PolarHBondContact O-N 3.41Å | ||
| 239 | K | 36.6 | Very low | 43.9 | Very low | 210 Ų | 210 | 79.9 Ų | 79.9 | 91% | 0.913 | 38% | 0.381 | S | S | * | . | trans | -70.5 | -10.5 | 157.6 | -95.8 | -175.3 | 178.7 | 176.9 | 0 | 112.3 | I237 R241 | I237-K239 PolarHBondContact O-N 3.48Å; K239-R241 PolarHBondContact O-N 3.22Å | ||
| 240 | V | 32.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 77.7 Ų | 77.7 | 69% | 0.685 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -87.6 | 103.5 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | A238 L242 | A238-V240 PolarHBondContact O-N 3.41Å; V240-L242 PolarHBondContact O-N 3.05Å |
| 241 | R | 30.8 | Very low | 43.7 | Very low | 238 Ų | 238 | 78.2 Ų | 78.2 | 90% | 0.898 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 11.8 | -173 | -89.4 | -175.7 | 174.1 | -177.2 | -0.9 | 118.1 | K239 | K239-R241 PolarHBondContact O-N 3.22Š|
| 242 | L | 30.6 | Very low | 44.2 | Very low | 135 Ų | 135 | 79.7 Ų | 79.7 | 71% | 0.707 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -21.7 | -166.5 | -91.3 | 152.9 | 0 | 0 | 0 | 117.3 | V240 | V240-L242 PolarHBondContact O-N 3.05Š|
| 243 | F | 29.7 | Very low | 45.1 | Very low | 163 Ų | 163 | 77.9 Ų | 77.9 | 72% | 0.715 | 38% | 0.378 | S | S | * | . | trans | -150.1 | 77 | 173.9 | -74.3 | -82 | 0 | 0 | 0 | 112.2 | F245 | F243-F245 HydrophobicContact CB-CD2 4.32Å; F243-F245 HydrophobicContact CB-CE2 4.21Å; F243-F245 PolarHBondContact O-N 3.48Å | ||
| 244 | N | 29.3 | Very low | 46.2 | Very low | 95 Ų | 95 | 77.3 Ų | 77.3 | 51% | 0.508 | 38% | 0.376 | S | S | . | . | trans | -69.3 | 91.2 | 169.6 | -80.7 | -13.3 | 0 | 0 | 0 | 110 | Q246 | N244-Q246 HydrophobicContact CB-CG 4.43Å; N244-Q246 PolarHBondContact O-N 3.45Å | ||
| 245 | F | 34.2 | Very low | 47.8 | Very low | 110 Ų | 110 | 75.5 Ų | 75.5 | 48% | 0.482 | 37% | 0.365 | S | S | . | . | trans | -71.5 | 81.2 | 163.2 | -79.8 | -89 | 0 | 0 | 0 | 108.8 | F243 F247 S352 | F243-F245 HydrophobicContact CB-CD2 4.32Å; F243-F245 HydrophobicContact CB-CE2 4.21Å; F243-F245 PolarHBondContact O-N 3.48Å; F245-F247 HydrophobicContact CB-CD2 4.33Å; F245-F247 HydrophobicContact CB-CE2 3.93Å; F245-F247 HydrophobicContact CD1-CE2 4.19Å; F245-F247 HydrophobicContact CD1-CZ 4.44Å; F245-F247 PolarHBondContact O-N 3.49Å; F245-S352 WeakPolarHBondContact CD1-OG 2.98Å | ||
| 246 | Q | 38.4 | Very low | 49.7 | Very low | 63 Ų | 63 | 73.9 Ų | 73.9 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | trans | -72.1 | 111.2 | 173.6 | -78.4 | 174.6 | -33.6 | 0 | 0 | 109.5 | N244 S352 | N244-Q246 HydrophobicContact CB-CG 4.43Å; N244-Q246 PolarHBondContact O-N 3.45Å; Q246-S352 WeakPolarHBondContact O-CB 3.42Å | ||
| 247 | F | 45.2 | Very low | 51.8 | Low | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.075 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -105.4 | 119.8 | 172.5 | -77.8 | -80.2 | 0 | 0 | 0 | 110.3 | Y233 F245 C249 P275 F276 V279 S352 | Y233-F247 PolarHBondContact N-O 3.22Å; Y233-F247 PolarHBondContact O-N 3Å; F245-F247 HydrophobicContact CB-CD2 4.33Å; F245-F247 HydrophobicContact CB-CE2 3.93Å; F245-F247 HydrophobicContact CD1-CE2 4.19Å; F245-F247 HydrophobicContact CD1-CZ 4.44Å; F245-F247 PolarHBondContact O-N 3.49Å; F247-C249 PolarHBondContact O-N 2.94Å; F247-P275 HydrophobicContact CE1-CG 4.2Å; F247-P275 HydrophobicContact CZ-CG 4.25Å; F247-F276 AromaticContact CE2-CD2 3.73Å; F247-F276 HydrophobicContact CE2-CD2 3.73Å; F247-F276 AromaticContact CE2-CE2 3.67Å; F247-F276 HydrophobicContact CE2-CE2 3.67Å; F247-F276 AromaticContact CZ-CD2 3.93Å; F247-F276 HydrophobicContact CZ-CD2 3.93Å; F247-F276 AromaticContact CZ-CE2 3.68Å; F247-F276 HydrophobicContact CZ-CE2 3.68Å; F247-V279 HydrophobicContact CB-CG1 4.38Å; F247-V279 HydrophobicContact CB-CG2 3.84Å; F247-V279 HydrophobicContact CD1-CG2 4.48Å; F247-V279 HydrophobicContact CD2-CG2 3.98Å; F247-V279 HydrophobicContact CG-CG2 3.86Å; F247-S352 VanDerWaalsContact CZ-OG 3.27Å; F247-S352 WeakPolarHBondContact CZ-OG 2.93Å |
| 248 | S | 49.4 | Very low | 54 | Low | 36 Ų | 36 | 63 Ų | 63 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | trans | -86.8 | 96.9 | 178.5 | 70.7 | 0 | 0 | 0 | 0 | 110.3 | L250 S251 S252 | S248-L250 PolarHBondContact O-N 2.89Å; S248-S251 WeakPolarHBondContact CB-OG 3.07Å; S248-S251 PolarHBondContact OG-OG 2.68Å; S248-S252 PolarHBondContact OG-OG 3.48Å | ||
| 249 | C | 55.2 | Low | 56.6 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -62.9 | -174 | -75 | 0 | 0 | 0 | 0 | 113 | Y233 F247 I283 | Y233-C249 WeakPolarHBondContact CB-SG 3.35Å; F247-C249 PolarHBondContact O-N 2.94Å; C249-I283 HydrophobicContact CB-CD1 4.4Å; C249-I283 HydrophobicContact CB-CG1 3.78Å; C249-I283 WeakPolarHBondContact O-CD1 3.23Å |
| 250 | L | 61.3 | Low | 59.3 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -10.4 | -178.3 | -62.5 | 173.3 | 0 | 0 | 0 | 114.1 | L230 S248 S252 Y253 L254 L257 A286 | L230-L250 HydrophobicContact CB-CD1 4.12Å; L230-L250 HydrophobicContact CD2-CD1 4.14Å; L230-L250 VanDerWaalsContact O-CB 3.25Å; L230-L250 WeakPolarHBondContact O-CB 3.2Å; L230-L250 PolarHBondContact O-N 3.16Å; S248-L250 PolarHBondContact O-N 2.89Å; L250-S252 PolarHBondContact O-N 2.82Å; L250-S252 VanDerWaalsContact O-N 3.17Å; L250-Y253 CarbonylContact O-C 3.56Å; L250-Y253 WeakPolarHBondContact O-CA 3.34Å; L250-Y253 PolarHBondContact O-N 3.47Å; L250-L254 WeakPolarHBondContact O-CD2 3.44Å; L250-L254 PolarHBondContact O-N 3.14Å; L250-L257 HydrophobicContact CB-CD2 4.17Å; L250-L257 HydrophobicContact CD1-CD2 3.92Å; L250-L257 HydrophobicContact CD2-CD2 3.96Å; L250-L257 HydrophobicContact CG-CD2 4.24Å; L250-A286 HydrophobicContact CD1-CB 3.99Å |
| 251 | S | 63.2 | Low | 62.2 | Low | 20 Ų | 20 | 46.8 Ų | 46.8 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -58.1 | -35.1 | -176.5 | 103.3 | 0 | 0 | 0 | 0 | 113 | S248 Y253 L254 F357 | S248-S251 WeakPolarHBondContact CB-OG 3.07Å; S248-S251 PolarHBondContact OG-OG 2.68Å; S251-Y253 PolarHBondContact O-N 3.01Å; S251-L254 WeakPolarHBondContact O-CG 3.42Å; S251-F357 WeakPolarHBondContact O-CD2 3.04Å |
| 252 | S | 64.6 | Low | 65.3 | Low | 43 Ų | 43 | 35.4 Ų | 35.4 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -72 | -15.8 | 176.7 | -65 | 0 | 0 | 0 | 0 | 113.3 | S248 L250 | S248-S252 PolarHBondContact OG-OG 3.48Å; L250-S252 PolarHBondContact O-N 2.82Å; L250-S252 VanDerWaalsContact O-N 3.17Å |
| 253 | Y | 73.6 | Confident | 68.4 | Low | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -121.6 | 12.7 | -173.3 | -52.3 | -72.6 | 0 | 0 | 0 | 113.4 | L250 S251 P255 H256 L257 L346 R347 L348 P349 | L250-Y253 CarbonylContact O-C 3.56Å; L250-Y253 WeakPolarHBondContact O-CA 3.34Å; L250-Y253 PolarHBondContact O-N 3.47Å; S251-Y253 PolarHBondContact O-N 3.01Å; Y253-P255 VanDerWaalsContact O-N 3.14Å; Y253-H256 WeakPolarHBondContact O-CA 3.44Å; Y253-H256 WeakPolarHBondContact O-CB 3.12Å; Y253-H256 PolarHBondContact O-N 3.25Å; Y253-L257 PolarHBondContact O-N 3.02Å; Y253-L346 HydrophobicContact CD1-CD1 3.54Å; Y253-L346 HydrophobicContact CD2-CD1 4.21Å; Y253-L346 HydrophobicContact CE1-CD1 3.57Å; Y253-L346 HydrophobicContact CE2-CD1 4.24Å; Y253-L346 HydrophobicContact CG-CD1 3.88Å; Y253-R347 PolarHBondContact OH-O 3.09Å; Y253-R347 VanDerWaalsContact OH-O 3.05Å; Y253-L348 HydrophobicContact CE2-CD2 3.5Å; Y253-L348 WeakPolarHBondContact OH-CA 3.39Å; Y253-L348 WeakPolarHBondContact OH-CD2 3.22Å; Y253-P349 WeakPolarHBondContact OH-CD 3.36Å |
| 254 | L | 75.5 | Confident | 71.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | G | 310 helix | trans | -48.2 | -40.3 | 175.5 | -58.6 | 177.7 | 0 | 0 | 0 | 113.5 | F231 L250 S251 H256 L257 F357 L396 I413 | F231-L254 HydrophobicContact CE2-CD1 4.1Å; L250-L254 WeakPolarHBondContact O-CD2 3.44Å; L250-L254 PolarHBondContact O-N 3.14Å; S251-L254 WeakPolarHBondContact O-CG 3.42Å; L254-H256 PolarHBondContact O-N 3.36Å; L254-H256 VanDerWaalsContact O-N 3.11Å; L254-L257 HydrophobicContact CD2-CD1 3.58Å; L254-L257 HydrophobicContact CD2-CG 4.47Å; L254-L257 PolarHBondContact O-N 3.4Å; L254-F357 HydrophobicContact CB-CE2 4.2Å; L254-F357 HydrophobicContact CD1-CE2 3.85Å; L254-F357 HydrophobicContact CD1-CZ 4.47Å; L254-F357 HydrophobicContact CG-CE2 4.33Å; L254-L396 HydrophobicContact CD1-CB 3.75Å; L254-L396 HydrophobicContact CD1-CD1 3.89Å; L254-L396 HydrophobicContact CD1-CG 4.47Å; L254-L396 HydrophobicContact CD2-CD1 3.64Å; L254-L396 HydrophobicContact CG-CD1 4.24Å; L254-I413 HydrophobicContact CD2-CD1 3.91Å |
| 255 | P | 80.7 | Confident | 74.8 | Confident | 11 Ų | 11 | 16.7 Ų | 16.7 | 7% | 0.071 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -65.7 | -11 | 177 | -22 | 35.9 | 0 | 0 | 0 | 114.9 | Y253 R359 S361 V393 | Y253-P255 VanDerWaalsContact O-N 3.14Å; P255-R359 WeakPolarHBondContact CG-O 3.35Å; P255-S361 WeakPolarHBondContact CG-OG 3.36Å; P255-V393 HydrophobicContact CG-CG1 4.48Å |
| 256 | H | 87.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -109.1 | -6.8 | -177.7 | -55.7 | -58.8 | 0 | 0 | 0 | 113.4 | Y253 L254 H258 L259 L260 S361 V363 L378 | Y253-H256 WeakPolarHBondContact O-CA 3.44Å; Y253-H256 WeakPolarHBondContact O-CB 3.12Å; Y253-H256 PolarHBondContact O-N 3.25Å; L254-H256 PolarHBondContact O-N 3.36Å; L254-H256 VanDerWaalsContact O-N 3.11Å; H256-H258 VanDerWaalsContact C-N 3.3Å; H256-H258 PolarHBondContact O-N 3.03Å; H256-L259 WeakPolarHBondContact O-CB 3.22Å; H256-L259 PolarHBondContact O-N 3.16Å; H256-L260 HydrophobicContact CB-CD1 4.25Å; H256-L260 WeakPolarHBondContact O-CG 3.12Å; H256-L260 PolarHBondContact O-N 3.46Å; H256-S361 PolarHBondContact CE1-O 2.87Å; H256-S361 PolarHBondContact NE2-OG 3.49Å; H256-V363 WeakPolarHBondContact ND1-CG2 3.47Å; H256-L378 HydrophobicContact CB-CD2 3.87Å |
| 257 | L | 87.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.9 | -34.6 | -172.5 | -70.9 | 178.6 | 0 | 0 | 0 | 114.7 | L250 Y253 L254 L260 W261 I413 F417 | L250-L257 HydrophobicContact CB-CD2 4.17Å; L250-L257 HydrophobicContact CD1-CD2 3.92Å; L250-L257 HydrophobicContact CD2-CD2 3.96Å; L250-L257 HydrophobicContact CG-CD2 4.24Å; Y253-L257 PolarHBondContact O-N 3.02Å; L254-L257 HydrophobicContact CD2-CD1 3.58Å; L254-L257 HydrophobicContact CD2-CG 4.47Å; L254-L257 PolarHBondContact O-N 3.4Å; L257-L260 HydrophobicContact CD2-CD1 4.36Å; L257-L260 PolarHBondContact O-N 2.75Å; L257-W261 WeakPolarHBondContact O-CB 3.33Å; L257-W261 PolarHBondContact O-N 3.46Å; L257-I413 HydrophobicContact CD1-CD1 4.43Å; L257-I413 HydrophobicContact CD1-CG2 4.27Å; L257-F417 HydrophobicContact CB-CE2 3.79Å; L257-F417 HydrophobicContact CB-CZ 3.49Å; L257-F417 VanDerWaalsContact CB-CZ 3.49Å; L257-F417 HydrophobicContact CD1-CE2 3.99Å; L257-F417 HydrophobicContact CG-CE2 4.46Å |
| 258 | H | 90.3 | Very high | 82.8 | Confident | 8 Ų | 8 | 10.9 Ų | 10.9 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.7 | -39 | 177.1 | -68.8 | 69.3 | 0 | 0 | 0 | 111.6 | H256 W261 E262 G389 H416 | H256-H258 VanDerWaalsContact C-N 3.3Å; H256-H258 PolarHBondContact O-N 3.03Å; H258-W261 PolarHBondContact O-N 3.38Å; H258-E262 WeakPolarHBondContact O-CB 3.25Å; H258-E262 PolarHBondContact O-N 2.79Å; H258-G389 VanDerWaalsContact CE1-CA 3.48Å; H258-G389 WeakPolarHBondContact CE1-CA 3.39Å; H258-H416 AromaticContact CE1-NE2 3.64Å; H258-H416 AromaticContact NE2-CE1 3.91Å; H258-H416 AromaticContact NE2-NE2 3.15Å; H258-H416 PolarHBondContact NE2-NE2 2.82Å; H258-H416 VanDerWaalsContact NE2-NE2 3.15Å |
| 259 | L | 92.7 | Very high | 84.9 | Confident | 27 Ų | 27 | 9.4 Ų | 9.4 | 14% | 0.141 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.2 | -43.8 | 174.1 | -179.2 | 62.9 | 0 | 0 | 0 | 110.5 | H256 E262 L263 V363 L378 Y382 | H256-L259 WeakPolarHBondContact O-CB 3.22Å; H256-L259 PolarHBondContact O-N 3.16Å; L259-E262 WeakPolarHBondContact O-CB 3.32Å; L259-E262 PolarHBondContact O-N 2.86Å; L259-L263 HydrophobicContact CG-CD1 4.34Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 2.86Å; L259-V363 HydrophobicContact CD2-CG1 4.46Å; L259-V363 HydrophobicContact CD2-CG2 3.72Å; L259-L378 HydrophobicContact CD2-CD2 3.78Å; L259-L378 HydrophobicContact CG-CD2 4.46Å; L259-Y382 HydrophobicContact CD1-CD1 3.81Å; L259-Y382 HydrophobicContact CD1-CE1 4.2Å |
| 260 | L | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 177.3 | -70.8 | 167.3 | 0 | 0 | 0 | 111.8 | H256 L257 E262 L263 V264 L287 L290 L378 | H256-L260 HydrophobicContact CB-CD1 4.25Å; H256-L260 WeakPolarHBondContact O-CG 3.12Å; H256-L260 PolarHBondContact O-N 3.46Å; L257-L260 HydrophobicContact CD2-CD1 4.36Å; L257-L260 PolarHBondContact O-N 2.75Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 3.35Å; L260-L263 PolarHBondContact O-N 3.23Å; L260-V264 WeakPolarHBondContact O-CB 3.47Å; L260-V264 WeakPolarHBondContact O-CG2 3.49Å; L260-V264 PolarHBondContact O-N 2.84Å; L260-L287 HydrophobicContact CB-CD2 3.91Å; L260-L287 HydrophobicContact CD1-CD2 4.05Å; L260-L287 HydrophobicContact CD2-CD2 4.03Å; L260-L287 HydrophobicContact CG-CD2 4.21Å; L260-L290 HydrophobicContact CB-CD1 4.05Å; L260-L378 HydrophobicContact CD2-CD1 4.19Å; L260-L378 HydrophobicContact CD2-CD2 4.21Å; L260-L378 HydrophobicContact CG-CD2 4.39Å |
| 261 | W | 94 | Very high | 88.2 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 172.8 | 172.6 | 86.8 | 0 | 0 | 0 | 111.4 | L257 H258 V264 L265 L290 L386 F417 L420 T421 F424 L463 | L257-W261 WeakPolarHBondContact O-CB 3.33Å; L257-W261 PolarHBondContact O-N 3.46Å; H258-W261 PolarHBondContact O-N 3.38Å; W261-V264 PolarHBondContact O-N 2.67Å; W261-L265 HydrophobicContact CH2-CD2 3.53Å; W261-L265 HydrophobicContact CZ2-CD2 3.88Å; W261-L265 HydrophobicContact CZ3-CD2 3.88Å; W261-L265 VanDerWaalsContact O-CB 3.25Å; W261-L265 WeakPolarHBondContact O-CB 3.42Å; W261-L265 PolarHBondContact O-N 3.11Å; W261-L290 VanDerWaalsContact CD1-O 3.28Å; W261-L386 HydrophobicContact CE3-CD1 4.45Å; W261-L386 HydrophobicContact CH2-CD1 4.45Å; W261-L386 HydrophobicContact CZ3-CD1 3.69Å; W261-F417 HydrophobicContact CB-CD1 3.85Å; W261-F417 HydrophobicContact CB-CE1 3.59Å; W261-F417 AromaticContact CD1-CD1 3.53Å; W261-F417 AromaticContact CG-CD1 3.73Å; W261-F417 HydrophobicContact CG-CD1 3.73Å; W261-F417 AromaticContact CG-CE1 3.89Å; W261-F417 HydrophobicContact CG-CE1 3.89Å; W261-L420 HydrophobicContact CD2-CD2 3.71Å; W261-L420 HydrophobicContact CD2-CG 4.45Å; W261-L420 HydrophobicContact CE3-CD2 3.96Å; W261-L420 HydrophobicContact CG-CD2 4.18Å; W261-L420 HydrophobicContact CH2-CD2 4.29Å; W261-L420 HydrophobicContact CH2-CG 4.18Å; W261-L420 HydrophobicContact CZ2-CD2 4.05Å; W261-L420 HydrophobicContact CZ2-CG 3.88Å; W261-L420 HydrophobicContact CZ3-CD2 4.25Å; W261-T421 PolarHBondContact NE1-OG1 2.8Å; W261-F424 HydrophobicContact CH2-CB 4.34Å; W261-F424 HydrophobicContact CH2-CG 4.26Å; W261-F424 HydrophobicContact CZ2-CB 4.39Å; W261-L463 HydrophobicContact CH2-CD2 4.19Å; W261-L463 HydrophobicContact CZ3-CD2 3.91Å |
| 262 | E | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.5 | -166 | 179.4 | 124.9 | 0 | 0 | 111.9 | H258 L259 L260 V264 L265 L266 Y382 G384 F385 L386 L463 | H258-E262 WeakPolarHBondContact O-CB 3.25Å; H258-E262 PolarHBondContact O-N 2.79Å; L259-E262 WeakPolarHBondContact O-CB 3.32Å; L259-E262 PolarHBondContact O-N 2.86Å; L260-E262 VanDerWaalsContact C-N 3.32Å; L260-E262 PolarHBondContact O-N 3.35Å; E262-V264 PolarHBondContact O-N 2.8Å; E262-L265 WeakPolarHBondContact O-CB 3.49Å; E262-L265 PolarHBondContact O-N 3.3Å; E262-L266 HydrophobicContact CG-CD1 4.38Å; E262-L266 WeakPolarHBondContact O-CB 3.49Å; E262-L266 WeakPolarHBondContact O-CG 3.1Å; E262-L266 PolarHBondContact O-N 3.42Å; E262-Y382 VanDerWaalsContact OE1-CE1 3.24Å; E262-Y382 WeakPolarHBondContact OE1-CE1 2.96Å; E262-Y382 PolarHBondContact OE1-OH 2.98Å; E262-Y382 VanDerWaalsContact OE1-OH 3.11Å; E262-G384 WeakPolarHBondContact OE1-CA 3.47Å; E262-F385 WeakPolarHBondContact OE1-CD2 3.38Å; E262-F385 PolarHBondContact OE1-N 2.85Å; E262-F385 PolarHBondContact OE2-N 2.99Å; E262-L386 PolarHBondContact OE2-N 3.37Å; E262-L463 HydrophobicContact CG-CD1 3.72Å |
| 263 | L | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.3 | -66.7 | 177.7 | 0 | 0 | 0 | 111.8 | L259 L260 L266 G267 E268 I270 H344 Y382 | L259-L263 HydrophobicContact CG-CD1 4.34Å; L259-L263 VanDerWaalsContact O-CG 3.25Å; L259-L263 WeakPolarHBondContact O-CG 3.43Å; L259-L263 PolarHBondContact O-N 2.86Å; L260-L263 PolarHBondContact O-N 3.23Å; L263-L266 PolarHBondContact O-N 3.03Å; L263-G267 PolarHBondContact O-N 3.25Å; L263-G267 VanDerWaalsContact O-N 3.08Å; L263-E268 HydrophobicContact CB-CB 4.12Å; L263-E268 HydrophobicContact CD2-CB 3.92Å; L263-E268 HydrophobicContact CD2-CG 3.85Å; L263-E268 WeakPolarHBondContact O-CB 3.27Å; L263-E268 PolarHBondContact O-N 2.98Å; L263-I270 HydrophobicContact CB-CD1 3.95Å; L263-H344 HydrophobicContact CD1-CB 4.32Å; L263-H344 WeakPolarHBondContact CD2-NE2 3.4Å; L263-Y382 HydrophobicContact CD2-CD1 3.58Å; L263-Y382 HydrophobicContact CD2-CD2 4.42Å; L263-Y382 HydrophobicContact CD2-CE1 3.82Å; L263-Y382 HydrophobicContact CD2-CG 3.91Å |
| 264 | V | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 177.5 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | L260 W261 E262 L266 G267 I270 L287 I291 Y296 I327 N472 | L260-V264 WeakPolarHBondContact O-CB 3.47Å; L260-V264 WeakPolarHBondContact O-CG2 3.49Å; L260-V264 PolarHBondContact O-N 2.84Å; W261-V264 PolarHBondContact O-N 2.67Å; E262-V264 PolarHBondContact O-N 2.8Å; V264-L266 VanDerWaalsContact C-N 3.26Å; V264-L266 PolarHBondContact O-N 3.27Å; V264-G267 PolarHBondContact O-N 2.8Å; V264-G267 VanDerWaalsContact O-N 3.08Å; V264-I270 HydrophobicContact CG2-CD1 4.02Å; V264-L287 WeakPolarHBondContact CG1-O 3.49Å; V264-L287 HydrophobicContact CG2-CB 4.06Å; V264-I291 HydrophobicContact CB-CG2 4.19Å; V264-I291 HydrophobicContact CG1-CD1 4.07Å; V264-I291 HydrophobicContact CG1-CG1 4.02Å; V264-I291 HydrophobicContact CG1-CG2 3.86Å; V264-Y296 HydrophobicContact CG1-CD2 3.75Å; V264-Y296 HydrophobicContact CG1-CE2 3.91Å; V264-Y296 WeakPolarHBondContact O-CE2 3.38Å; V264-I327 HydrophobicContact CG2-CD1 4.01Å; V264-N472 PolarHBondContact O-ND2 3.47Å |
| 265 | L | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 177 | -178.9 | 70.1 | 0 | 0 | 0 | 111.3 | W261 E262 G267 I291 L294 F424 L463 F467 N472 | W261-L265 HydrophobicContact CH2-CD2 3.53Å; W261-L265 HydrophobicContact CZ2-CD2 3.88Å; W261-L265 HydrophobicContact CZ3-CD2 3.88Å; W261-L265 VanDerWaalsContact O-CB 3.25Å; W261-L265 WeakPolarHBondContact O-CB 3.42Å; W261-L265 PolarHBondContact O-N 3.11Å; E262-L265 WeakPolarHBondContact O-CB 3.49Å; E262-L265 PolarHBondContact O-N 3.3Å; L265-G267 VanDerWaalsContact C-N 3.29Å; L265-I291 HydrophobicContact CB-CG2 4Å; L265-I291 HydrophobicContact CD1-CG2 4.34Å; L265-L294 HydrophobicContact CD1-CD2 3.66Å; L265-F424 HydrophobicContact CD1-CD1 4.34Å; L265-F424 HydrophobicContact CD1-CE1 4.08Å; L265-F424 HydrophobicContact CD2-CD1 4.11Å; L265-F424 HydrophobicContact CD2-CE1 3.73Å; L265-F424 HydrophobicContact CD2-CZ 3.94Å; L265-F424 HydrophobicContact CG-CE1 4.36Å; L265-L463 HydrophobicContact CD2-CD1 4.26Å; L265-L463 HydrophobicContact CD2-CD2 4.24Å; L265-L463 HydrophobicContact CD2-CG 4.42Å; L265-F467 HydrophobicContact CD1-CD2 3.87Å; L265-F467 HydrophobicContact CD1-CE2 3.66Å; L265-F467 HydrophobicContact CD1-CZ 4.37Å; L265-F467 HydrophobicContact CG-CD2 3.86Å; L265-F467 HydrophobicContact CG-CE2 4.17Å; L265-N472 PolarHBondContact O-ND2 3.33Å |
| 266 | L | 96.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 8.7 Ų | 8.7 | 5% | 0.052 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3 | 178.8 | -63.2 | -179.7 | 0 | 0 | 0 | 113.9 | E262 L263 V264 E268 Y382 F385 L463 A466 F467 T470 | E262-L266 HydrophobicContact CG-CD1 4.38Å; E262-L266 WeakPolarHBondContact O-CB 3.49Å; E262-L266 WeakPolarHBondContact O-CG 3.1Å; E262-L266 PolarHBondContact O-N 3.42Å; L263-L266 PolarHBondContact O-N 3.03Å; V264-L266 VanDerWaalsContact C-N 3.26Å; V264-L266 PolarHBondContact O-N 3.27Å; L266-E268 HydrophobicContact CB-CG 4.16Å; L266-E268 PolarHBondContact O-N 3.16Å; L266-Y382 WeakPolarHBondContact CD1-OH 3.31Å; L266-F385 HydrophobicContact CD1-CD2 4.48Å; L266-F385 HydrophobicContact CD1-CE2 4.2Å; L266-L463 HydrophobicContact CD1-CD1 4.04Å; L266-L463 HydrophobicContact CD2-CD1 4.03Å; L266-L463 HydrophobicContact CG-CD1 4.14Å; L266-A466 HydrophobicContact CD1-CB 4.2Å; L266-A466 HydrophobicContact CD2-CB 3.72Å; L266-F467 HydrophobicContact CD2-CB 4.16Å; L266-T470 HydrophobicContact CD2-CG2 4.27Å; L266-T470 WeakPolarHBondContact O-CG2 3.42Å |
| 267 | G | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 24.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L263 V264 L265 N325 | L263-G267 PolarHBondContact O-N 3.25Å; L263-G267 VanDerWaalsContact O-N 3.08Å; V264-G267 PolarHBondContact O-N 2.8Å; V264-G267 VanDerWaalsContact O-N 3.08Å; L265-G267 VanDerWaalsContact C-N 3.29Å; G267-N325 WeakPolarHBondContact O-CB 3.4Å; G267-N325 PolarHBondContact O-ND2 3.47Å |
| 268 | E | 94.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 9.2 Ų | 9.2 | 27% | 0.266 | 5% | 0.049 | S | C | . | . | trans | -63.9 | 140 | 177.2 | -70.7 | -70.4 | 157.8 | 0 | 0 | 110.4 | L263 L266 H344 | L263-E268 HydrophobicContact CB-CB 4.12Å; L263-E268 HydrophobicContact CD2-CB 3.92Å; L263-E268 HydrophobicContact CD2-CG 3.85Å; L263-E268 WeakPolarHBondContact O-CB 3.27Å; L263-E268 PolarHBondContact O-N 2.98Å; L266-E268 HydrophobicContact CB-CG 4.16Å; L266-E268 PolarHBondContact O-N 3.16Å; E268-H344 IonicContact OE2-NE2 3.53Å | ||
| 269 | P | 92.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 9 Ų | 9 | 4% | 0.039 | 5% | 0.048 | C | C | . | . | trans | -72.7 | 132.2 | -177 | 25.6 | -29.5 | 0 | 0 | 0 | 111.6 | A323 V326 W342 P343 H344 | P269-A323 HydrophobicContact CG-CB 4.45Å; P269-V326 VanDerWaalsContact CA-O 3.32Å; P269-V326 WeakPolarHBondContact CA-O 3.32Å; P269-W342 HydrophobicContact CB-CZ2 3.62Å; P269-W342 PolarHBondContact O-NE1 3.1Å; P269-P343 HydrophobicContact CG-CG 3.6Å; P269-H344 WeakPolarHBondContact O-CB 3.37Å; P269-H344 PolarHBondContact O-CD2 3.34Å | ||
| 270 | I | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 132.1 | -174.4 | -57.8 | 168.7 | 0 | 0 | 0 | 110.2 | L263 V264 V272 L287 V326 I327 L328 H344 | L263-I270 HydrophobicContact CB-CD1 3.95Å; V264-I270 HydrophobicContact CG2-CD1 4.02Å; I270-V272 HydrophobicContact CG2-CG2 4.42Å; I270-L287 HydrophobicContact CG2-CD1 4.22Å; I270-V326 PolarHBondContact N-O 3.35Å; I270-I327 HydrophobicContact CB-CG1 4.24Å; I270-I327 HydrophobicContact CB-CG2 4.27Å; I270-I327 HydrophobicContact CD1-CD1 4.47Å; I270-I327 HydrophobicContact CD1-CG1 4.46Å; I270-I327 CarbonylContact O-C 3.5Å; I270-I327 WeakPolarHBondContact O-CA 3.09Å; I270-L328 PolarHBondContact O-N 2.98Å; I270-H344 WeakPolarHBondContact CA-O 3.5Å; I270-H344 HydrophobicContact CG1-CB 4.08Å |
| 271 | V | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.3 | 170.5 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | M273 L328 T330 L339 W342 H344 V345 L346 | V271-M273 HydrophobicContact CG1-CE 3.68Å; V271-M273 HydrophobicContact CG1-CG 3.78Å; V271-L328 CarbonylContact C-O 3.49Å; V271-L328 WeakPolarHBondContact CA-O 3.3Å; V271-L328 HydrophobicContact CG2-CB 4.21Å; V271-L328 HydrophobicContact CG2-CD1 4.35Å; V271-T330 HydrophobicContact CG1-CG2 4.22Å; V271-L339 HydrophobicContact CB-CD1 4.42Å; V271-L339 HydrophobicContact CG1-CD1 3.98Å; V271-L339 HydrophobicContact CG2-CD1 3.64Å; V271-W342 VanDerWaalsContact CG2-CD1 3.42Å; V271-W342 HydrophobicContact CG2-CD2 3.76Å; V271-W342 VanDerWaalsContact CG2-CE2 3.49Å; V271-W342 HydrophobicContact CG2-CG 3.69Å; V271-W342 HydrophobicContact CG2-CZ2 4.14Å; V271-W342 VanDerWaalsContact CG2-NE1 3.31Å; V271-H344 PolarHBondContact N-O 2.71Å; V271-V345 HydrophobicContact CB-CG2 4.28Å; V271-V345 CarbonylContact O-C 3.59Å; V271-V345 WeakPolarHBondContact O-CA 3.48Å; V271-L346 PolarHBondContact O-N 3.33Å |
| 272 | V | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.5 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | I270 V280 I283 V284 L287 L328 G329 T330 L346 L348 | I270-V272 HydrophobicContact CG2-CG2 4.42Å; V272-V280 HydrophobicContact CG1-CB 4.37Å; V272-V280 HydrophobicContact CG1-CG1 4.29Å; V272-I283 HydrophobicContact CG1-CB 4.11Å; V272-I283 HydrophobicContact CG1-CG2 3.75Å; V272-I283 HydrophobicContact CG2-CG2 4.06Å; V272-V284 HydrophobicContact CB-CG2 4.06Å; V272-V284 HydrophobicContact CG2-CG2 3.83Å; V272-L287 HydrophobicContact CG2-CD1 3.8Å; V272-L328 PolarHBondContact N-O 3.49Å; V272-G329 WeakPolarHBondContact O-CA 3.33Å; V272-T330 PolarHBondContact O-N 2.84Å; V272-L346 WeakPolarHBondContact CA-O 3.25Å; V272-L346 HydrophobicContact CG1-CD2 4.47Å; V272-L346 HydrophobicContact CG2-CB 4.4Å; V272-L346 HydrophobicContact CG2-CD2 4.32Å; V272-L348 HydrophobicContact CG1-CD1 4.18Å; V272-L348 HydrophobicContact CG1-CG 4.38Å |
| 273 | M | 89.6 | Confident | 90.6 | Very high | 13 Ų | 13 | 8 Ų | 8 | 6% | 0.064 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.4 | 179.7 | -62.1 | -178.7 | 174.2 | 0 | 0 | 109.9 | V271 T330 F335 I336 V345 L346 R347 L348 | V271-M273 HydrophobicContact CG1-CE 3.68Å; V271-M273 HydrophobicContact CG1-CG 3.78Å; M273-T330 WeakPolarHBondContact CA-O 3.49Å; M273-T330 HydrophobicContact CG-CG2 4.1Å; M273-F335 HydrophobicContact CE-CB 4.14Å; M273-I336 HydrophobicContact CE-CG1 4.43Å; M273-I336 HydrophobicContact SD-CG1 3.78Å; M273-V345 HydrophobicContact CE-CG1 4.19Å; M273-V345 HydrophobicContact CG-CG1 4.22Å; M273-V345 HydrophobicContact SD-CG1 3.87Å; M273-L346 PolarHBondContact N-O 2.91Å; M273-R347 HydrophobicContact CB-CG 4.39Å; M273-L348 WeakPolarHBondContact O-CB 3.45Å; M273-L348 WeakPolarHBondContact O-CG 3.33Å; M273-L348 PolarHBondContact O-N 2.97Å |
| 274 | G | 85.8 | Confident | 90.4 | Very high | 10 Ų | 10 | 8 Ų | 8 | 10% | 0.103 | 4% | 0.043 | C | C | . | . | trans | -139.8 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T330 T331 | G274-T330 PolarHBondContact N-O 3.02Å; G274-T331 VanDerWaalsContact O-CA 3.24Å; G274-T331 WeakPolarHBondContact O-CA 3.43Å | ||
| 275 | P | 81.5 | Confident | 90.2 | Very high | 13 Ų | 13 | 8.3 Ų | 8.3 | 8% | 0.084 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -76 | -26.8 | -179.9 | 28.7 | -33.7 | 0 | 0 | 0 | 113.5 | S64 F247 | S64-P275 PolarHBondContact OG-O 2.92Å; F247-P275 HydrophobicContact CE1-CG 4.2Å; F247-P275 HydrophobicContact CZ-CG 4.25Å |
| 276 | F | 84.5 | Confident | 89.9 | Confident | 34 Ų | 34 | 8.3 Ų | 8.3 | 15% | 0.149 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -137.1 | 144.9 | -169.6 | -56.6 | -64.1 | 0 | 0 | 0 | 112.7 | S66 F68 F247 D278 V279 V280 | S66-F276 WeakPolarHBondContact OG-CE1 3.27Å; F68-F276 HydrophobicContact CB-CE1 4.33Å; F68-F276 AromaticContact CD2-CD1 3.83Å; F68-F276 HydrophobicContact CD2-CD1 3.83Å; F68-F276 AromaticContact CD2-CE1 3.68Å; F68-F276 HydrophobicContact CD2-CE1 3.68Å; F68-F276 HydrophobicContact CE2-CD1 4.46Å; F68-F276 HydrophobicContact CG-CE1 4.45Å; F247-F276 AromaticContact CE2-CD2 3.73Å; F247-F276 HydrophobicContact CE2-CD2 3.73Å; F247-F276 AromaticContact CE2-CE2 3.67Å; F247-F276 HydrophobicContact CE2-CE2 3.67Å; F247-F276 AromaticContact CZ-CD2 3.93Å; F247-F276 HydrophobicContact CZ-CD2 3.93Å; F247-F276 AromaticContact CZ-CE2 3.68Å; F247-F276 HydrophobicContact CZ-CE2 3.68Å; F276-D278 VanDerWaalsContact C-N 3.32Å; F276-D278 WeakPolarHBondContact CB-OD1 3.3Å; F276-D278 PolarHBondContact O-N 3.35Å; F276-V279 HydrophobicContact CB-CG2 4.27Å; F276-V279 PolarHBondContact O-N 3.44Å; F276-V280 PolarHBondContact O-N 3.01Å |
| 277 | P | 89.3 | Confident | 89.7 | Confident | 2 Ų | 2 | 7.9 Ų | 7.9 | 1% | 0.013 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | -174.5 | 25.5 | -34.5 | 0 | 0 | 0 | 113 | P62 F74 V280 S281 Y303 T331 | P62-P277 HydrophobicContact CB-CG 4.01Å; P62-P277 HydrophobicContact CG-CG 3.98Å; F74-P277 HydrophobicContact CB-CB 4.24Å; F74-P277 HydrophobicContact CD1-CB 3.92Å; F74-P277 HydrophobicContact CD1-CG 3.64Å; F74-P277 HydrophobicContact CD2-CB 3.77Å; F74-P277 HydrophobicContact CD2-CG 4.37Å; F74-P277 HydrophobicContact CE1-CB 4.14Å; F74-P277 HydrophobicContact CE1-CG 3.68Å; F74-P277 HydrophobicContact CE2-CB 3.97Å; F74-P277 HydrophobicContact CE2-CG 4.38Å; F74-P277 HydrophobicContact CG-CB 3.73Å; F74-P277 HydrophobicContact CG-CG 4.01Å; F74-P277 HydrophobicContact CZ-CB 4.15Å; F74-P277 HydrophobicContact CZ-CG 4.05Å; P277-V280 WeakPolarHBondContact O-CG2 3.34Å; P277-S281 WeakPolarHBondContact O-CB 3.5Å; P277-S281 PolarHBondContact O-N 2.97Å; P277-S281 PolarHBondContact O-OG 3.06Å; P277-Y303 HydrophobicContact CB-CD1 4.32Å; P277-Y303 HydrophobicContact CB-CD2 3.69Å; P277-Y303 HydrophobicContact CB-CE1 4.28Å; P277-Y303 HydrophobicContact CB-CE2 3.66Å; P277-Y303 HydrophobicContact CB-CG 4.03Å; P277-T331 HydrophobicContact CB-CG2 4.48Å |
| 278 | D | 85.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 8.6 Ų | 8.6 | 7% | 0.07 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -68 | -36.7 | 178 | 65.5 | -26.6 | 0 | 0 | 0 | 112.9 | L73 F74 Y233 F276 S281 A282 | L73-D278 VanDerWaalsContact O-CB 3.27Å; L73-D278 WeakPolarHBondContact O-CB 3.48Å; F74-D278 VanDerWaalsContact CB-CA 3.5Å; F74-D278 HydrophobicContact CB-CB 3.95Å; Y233-D278 HydrophobicContact CE1-CB 4.21Å; Y233-D278 WeakPolarHBondContact CE1-OD2 3.48Å; Y233-D278 WeakPolarHBondContact OH-CB 3.38Å; Y233-D278 PolarHBondContact OH-OD2 3.29Å; F276-D278 VanDerWaalsContact C-N 3.32Å; F276-D278 WeakPolarHBondContact CB-OD1 3.3Å; F276-D278 PolarHBondContact O-N 3.35Å; D278-S281 PolarHBondContact O-OG 3.01Å; D278-A282 WeakPolarHBondContact O-CB 3.19Å; D278-A282 PolarHBondContact O-N 3.43Å; D278-A282 VanDerWaalsContact O-N 3.16Å |
| 279 | V | 83.1 | Confident | 89.4 | Confident | 4 Ų | 4 | 7.5 Ų | 7.5 | 2% | 0.024 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -71.1 | -47.4 | 175 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | F247 F276 A282 I283 L348 | F247-V279 HydrophobicContact CB-CG1 4.38Å; F247-V279 HydrophobicContact CB-CG2 3.84Å; F247-V279 HydrophobicContact CD1-CG2 4.48Å; F247-V279 HydrophobicContact CD2-CG2 3.98Å; F247-V279 HydrophobicContact CG-CG2 3.86Å; F276-V279 HydrophobicContact CB-CG2 4.27Å; F276-V279 PolarHBondContact O-N 3.44Å; V279-A282 PolarHBondContact O-N 3.43Å; V279-I283 HydrophobicContact CG1-CD1 3.93Å; V279-I283 WeakPolarHBondContact O-CG1 3.27Å; V279-I283 PolarHBondContact O-N 2.73Å; V279-L348 HydrophobicContact CG1-CD1 3.61Å |
| 280 | V | 89.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | -178 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | V272 F276 P277 A282 I283 V284 P302 Y303 T331 L348 | V272-V280 HydrophobicContact CG1-CB 4.37Å; V272-V280 HydrophobicContact CG1-CG1 4.29Å; F276-V280 PolarHBondContact O-N 3.01Å; P277-V280 WeakPolarHBondContact O-CG2 3.34Å; V280-A282 PolarHBondContact O-N 2.65Å; V280-I283 PolarHBondContact O-N 2.65Å; V280-V284 WeakPolarHBondContact O-CG2 3.19Å; V280-V284 PolarHBondContact O-N 2.81Å; V280-P302 CarbonylContact C-O 3.55Å; V280-Y303 HydrophobicContact CG2-CD2 4Å; V280-T331 HydrophobicContact CG2-CG2 4.21Å; V280-L348 HydrophobicContact CG1-CD1 4.18Å |
| 281 | S | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.7 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | F74 H75 P277 D278 I283 Q285 P302 | F74-S281 WeakPolarHBondContact CB-OG 3.24Å; H75-S281 PolarHBondContact CE1-O 2.86Å; H75-S281 VanDerWaalsContact O-CB 3.26Å; H75-S281 WeakPolarHBondContact O-CB 3.46Å; P277-S281 WeakPolarHBondContact O-CB 3.5Å; P277-S281 PolarHBondContact O-N 2.97Å; P277-S281 PolarHBondContact O-OG 3.06Å; D278-S281 PolarHBondContact O-OG 3.01Å; S281-I283 PolarHBondContact O-N 2.73Å; S281-Q285 WeakPolarHBondContact O-CB 3.26Å; S281-Q285 PolarHBondContact O-N 3.44Å; S281-P302 WeakPolarHBondContact CA-O 3.41Å; S281-P302 PolarHBondContact N-O 2.94Å |
| 282 | A | 87.6 | Confident | 89.1 | Confident | 4 Ų | 4 | 9 Ų | 9 | 3% | 0.033 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y233 D278 V279 V280 A286 | Y233-A282 HydrophobicContact CD2-CB 4.24Å; D278-A282 WeakPolarHBondContact O-CB 3.19Å; D278-A282 PolarHBondContact O-N 3.43Å; D278-A282 VanDerWaalsContact O-N 3.16Å; V279-A282 PolarHBondContact O-N 3.43Å; V280-A282 PolarHBondContact O-N 2.65Å; A282-A286 VanDerWaalsContact O-CB 3.23Å; A282-A286 WeakPolarHBondContact O-CB 3.48Å; A282-A286 PolarHBondContact O-N 3.04Å |
| 283 | I | 88.3 | Confident | 89 | Confident | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -71 | -43.4 | 179.9 | -70.6 | 170.8 | 0 | 0 | 0 | 111.7 | C249 V272 V279 V280 S281 Q285 A286 L287 L346 L348 | C249-I283 HydrophobicContact CB-CD1 4.4Å; C249-I283 HydrophobicContact CB-CG1 3.78Å; C249-I283 WeakPolarHBondContact O-CD1 3.23Å; V272-I283 HydrophobicContact CG1-CB 4.11Å; V272-I283 HydrophobicContact CG1-CG2 3.75Å; V272-I283 HydrophobicContact CG2-CG2 4.06Å; V279-I283 HydrophobicContact CG1-CD1 3.93Å; V279-I283 WeakPolarHBondContact O-CG1 3.27Å; V279-I283 PolarHBondContact O-N 2.73Å; V280-I283 PolarHBondContact O-N 2.65Å; S281-I283 PolarHBondContact O-N 2.73Å; I283-Q285 VanDerWaalsContact C-N 3.3Å; I283-Q285 PolarHBondContact O-N 3.26Å; I283-A286 WeakPolarHBondContact O-CB 3.42Å; I283-A286 PolarHBondContact O-N 3.41Å; I283-L287 HydrophobicContact CG2-CD1 4.38Å; I283-L287 HydrophobicContact CG2-CG 4.42Å; I283-L287 WeakPolarHBondContact O-CG 3.37Å; I283-L287 PolarHBondContact O-N 3.07Å; I283-L346 HydrophobicContact CG2-CD2 3.84Å; I283-L348 HydrophobicContact CD1-CD1 3.4Å; I283-L348 VanDerWaalsContact CD1-CD1 3.4Å; I283-L348 HydrophobicContact CD1-CD2 3.57Å; I283-L348 HydrophobicContact CD1-CG 4.14Å |
| 284 | V | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.4 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | V272 V280 A286 L287 V288 F300 P302 I327 | V272-V284 HydrophobicContact CB-CG2 4.06Å; V272-V284 HydrophobicContact CG2-CG2 3.83Å; V280-V284 WeakPolarHBondContact O-CG2 3.19Å; V280-V284 PolarHBondContact O-N 2.81Å; V284-A286 VanDerWaalsContact C-N 3.31Å; V284-A286 PolarHBondContact O-N 2.92Å; V284-L287 WeakPolarHBondContact O-CB 3.32Å; V284-L287 PolarHBondContact O-N 2.59Å; V284-V288 WeakPolarHBondContact O-CG2 3.45Å; V284-V288 PolarHBondContact O-N 3.05Å; V284-F300 HydrophobicContact CG1-CB 4.19Å; V284-F300 HydrophobicContact CG1-CD2 4.15Å; V284-P302 HydrophobicContact CB-CB 4.48Å; V284-P302 HydrophobicContact CG1-CB 4.39Å; V284-P302 HydrophobicContact CG1-CG 4.41Å; V284-I327 HydrophobicContact CB-CG2 4.33Å; V284-I327 HydrophobicContact CG1-CB 4.39Å; V284-I327 HydrophobicContact CG1-CG2 3.77Å; V284-I327 HydrophobicContact CG2-CG2 4.06Å |
| 285 | Q | 92.4 | Very high | 89.5 | Confident | 7 Ų | 7 | 12.4 Ų | 12.4 | 3% | 0.033 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.7 | -169.3 | 66.3 | 53.1 | 0 | 0 | 112.3 | H75 I142 P228 S281 I283 L287 V288 N289 | H75-Q285 PolarHBondContact NE2-OE1 3.13Å; I142-Q285 HydrophobicContact CG1-CG 4Å; I142-Q285 HydrophobicContact CG2-CG 4.22Å; P228-Q285 HydrophobicContact CG-CB 4.16Å; P228-Q285 HydrophobicContact CG-CG 3.83Å; S281-Q285 WeakPolarHBondContact O-CB 3.26Å; S281-Q285 PolarHBondContact O-N 3.44Å; I283-Q285 VanDerWaalsContact C-N 3.3Å; I283-Q285 PolarHBondContact O-N 3.26Å; Q285-L287 VanDerWaalsContact C-N 3.33Å; Q285-L287 PolarHBondContact O-N 3.07Å; Q285-V288 PolarHBondContact O-N 2.78Å; Q285-N289 PolarHBondContact NE2-OD1 2.97Å; Q285-N289 VanDerWaalsContact NE2-OD1 3.16Å; Q285-N289 WeakPolarHBondContact O-CB 3.27Å; Q285-N289 VanDerWaalsContact O-CG 3.28Å; Q285-N289 PolarHBondContact O-N 3.33Å; Q285-N289 PolarHBondContact O-OD1 3.15Å |
| 286 | A | 88.8 | Confident | 90.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L230 L250 A282 I283 V284 N289 L290 | L230-A286 HydrophobicContact CD2-CB 3.37Å; L250-A286 HydrophobicContact CD1-CB 3.99Å; A282-A286 VanDerWaalsContact O-CB 3.23Å; A282-A286 WeakPolarHBondContact O-CB 3.48Å; A282-A286 PolarHBondContact O-N 3.04Å; I283-A286 WeakPolarHBondContact O-CB 3.42Å; I283-A286 PolarHBondContact O-N 3.41Å; V284-A286 VanDerWaalsContact C-N 3.31Å; V284-A286 PolarHBondContact O-N 2.92Å; A286-N289 PolarHBondContact O-N 3.22Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 2.88Å; A286-L290 VanDerWaalsContact O-N 3.14Å |
| 287 | L | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 176 | -70.9 | 175.8 | 0 | 0 | 0 | 111.3 | L260 V264 I270 V272 I283 V284 Q285 N289 L290 I327 | L260-L287 HydrophobicContact CB-CD2 3.91Å; L260-L287 HydrophobicContact CD1-CD2 4.05Å; L260-L287 HydrophobicContact CD2-CD2 4.03Å; L260-L287 HydrophobicContact CG-CD2 4.21Å; V264-L287 WeakPolarHBondContact CG1-O 3.49Å; V264-L287 HydrophobicContact CG2-CB 4.06Å; I270-L287 HydrophobicContact CG2-CD1 4.22Å; V272-L287 HydrophobicContact CG2-CD1 3.8Å; I283-L287 HydrophobicContact CG2-CD1 4.38Å; I283-L287 HydrophobicContact CG2-CG 4.42Å; I283-L287 WeakPolarHBondContact O-CG 3.37Å; I283-L287 PolarHBondContact O-N 3.07Å; V284-L287 WeakPolarHBondContact O-CB 3.32Å; V284-L287 PolarHBondContact O-N 2.59Å; Q285-L287 VanDerWaalsContact C-N 3.33Å; Q285-L287 PolarHBondContact O-N 3.07Å; L287-N289 PolarHBondContact O-N 3.23Å; L287-L290 HydrophobicContact CD2-CD1 3.86Å; L287-L290 VanDerWaalsContact O-CB 3.29Å; L287-L290 WeakPolarHBondContact O-CB 3.32Å; L287-L290 PolarHBondContact O-N 3.39Å; L287-I327 HydrophobicContact CB-CD1 4.47Å; L287-I327 HydrophobicContact CD1-CG2 4.13Å |
| 288 | V | 92.9 | Very high | 90.9 | Very high | 15 Ų | 15 | 13.6 Ų | 13.6 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55.1 | -40.7 | 176.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | V284 Q285 L290 Y296 F300 I327 | V284-V288 WeakPolarHBondContact O-CG2 3.45Å; V284-V288 PolarHBondContact O-N 3.05Å; Q285-V288 PolarHBondContact O-N 2.78Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.11Å; V288-Y296 HydrophobicContact CG1-CD1 4.37Å; V288-Y296 HydrophobicContact CG1-CG 4.32Å; V288-Y296 HydrophobicContact CG2-CD1 4.11Å; V288-Y296 HydrophobicContact CG2-CE1 4.46Å; V288-F300 HydrophobicContact CG1-CE1 4.27Å; V288-F300 HydrophobicContact CG1-CZ 4.37Å; V288-F300 HydrophobicContact CG2-CB 3.89Å; V288-F300 HydrophobicContact CG2-CD1 3.93Å; V288-F300 HydrophobicContact CG2-CD2 3.79Å; V288-F300 HydrophobicContact CG2-CE1 4.39Å; V288-F300 HydrophobicContact CG2-CE2 4.26Å; V288-F300 HydrophobicContact CG2-CG 3.6Å; V288-I327 HydrophobicContact CG2-CD1 4.29Å |
| 289 | N | 90 | Very high | 91.2 | Very high | 35 Ų | 35 | 14.5 Ų | 14.5 | 19% | 0.187 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -78.4 | -6.9 | 179.9 | -68.8 | 8.2 | 0 | 0 | 0 | 114.2 | H226 P228 Q285 A286 L287 I291 W292 | H226-N289 PolarHBondContact O-ND2 3.23Å; P228-N289 WeakPolarHBondContact CD-ND2 3.23Å; Q285-N289 PolarHBondContact NE2-OD1 2.97Å; Q285-N289 VanDerWaalsContact NE2-OD1 3.16Å; Q285-N289 WeakPolarHBondContact O-CB 3.27Å; Q285-N289 VanDerWaalsContact O-CG 3.28Å; Q285-N289 PolarHBondContact O-N 3.33Å; Q285-N289 PolarHBondContact O-OD1 3.15Å; A286-N289 PolarHBondContact O-N 3.22Å; L287-N289 PolarHBondContact O-N 3.23Å; N289-I291 PolarHBondContact O-N 2.76Å; N289-W292 WeakPolarHBondContact O-CB 3.33Å; N289-W292 PolarHBondContact O-N 3.16Å |
| 290 | L | 90.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -63 | -31.6 | 179 | -77.4 | 177.2 | 0 | 0 | 0 | 112.3 | L260 W261 A286 L287 V288 W292 F417 | L260-L290 HydrophobicContact CB-CD1 4.05Å; W261-L290 VanDerWaalsContact CD1-O 3.28Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 2.88Å; A286-L290 VanDerWaalsContact O-N 3.14Å; L287-L290 HydrophobicContact CD2-CD1 3.86Å; L287-L290 VanDerWaalsContact O-CB 3.29Å; L287-L290 WeakPolarHBondContact O-CB 3.32Å; L287-L290 PolarHBondContact O-N 3.39Å; V288-L290 VanDerWaalsContact C-N 3.31Å; V288-L290 PolarHBondContact O-N 3.11Å; L290-W292 VanDerWaalsContact C-N 3.3Å; L290-F417 HydrophobicContact CD2-CD2 3.95Å; L290-F417 HydrophobicContact CD2-CE2 4.29Å; L290-F417 HydrophobicContact CD2-CG 4.12Å; L290-F417 WeakPolarHBondContact O-CB 3.21Å |
| 291 | I | 93.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -91 | 12.1 | -178.5 | 60.7 | 164.2 | 0 | 0 | 0 | 113 | V264 L265 N289 L294 Y296 T421 | V264-I291 HydrophobicContact CB-CG2 4.19Å; V264-I291 HydrophobicContact CG1-CD1 4.07Å; V264-I291 HydrophobicContact CG1-CG1 4.02Å; V264-I291 HydrophobicContact CG1-CG2 3.86Å; L265-I291 HydrophobicContact CB-CG2 4Å; L265-I291 HydrophobicContact CD1-CG2 4.34Å; N289-I291 PolarHBondContact O-N 2.76Å; I291-L294 HydrophobicContact CB-CB 4.41Å; I291-L294 HydrophobicContact CD1-CB 4.31Å; I291-L294 HydrophobicContact CD1-CD2 4.14Å; I291-L294 HydrophobicContact CD1-CG 4.31Å; I291-L294 HydrophobicContact CG1-CB 4.47Å; I291-L294 WeakPolarHBondContact O-CA 3.37Å; I291-L294 WeakPolarHBondContact O-CB 3.49Å; I291-L294 PolarHBondContact O-N 2.8Å; I291-Y296 HydrophobicContact CD1-CD2 4.05Å; I291-T421 WeakPolarHBondContact O-CG2 3.37Å |
| 292 | W | 90 | Very high | 92.3 | Very high | 32 Ų | 32 | 15 Ų | 15 | 12% | 0.121 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.3 | 175.9 | -177.7 | -84.6 | 0 | 0 | 0 | 111.3 | P100 A102 M103 H226 N289 L290 T418 | P100-W292 HydrophobicContact CB-CH2 3.67Å; P100-W292 HydrophobicContact CB-CZ2 3.92Å; P100-W292 HydrophobicContact CG-CH2 3.96Å; P100-W292 HydrophobicContact CG-CZ2 4.03Å; A102-W292 HydrophobicContact CB-CE3 3.53Å; A102-W292 HydrophobicContact CB-CH2 4.21Å; A102-W292 HydrophobicContact CB-CZ3 3.37Å; M103-W292 HydrophobicContact CG-CH2 3.64Å; M103-W292 HydrophobicContact CG-CZ3 3.7Å; M103-W292 HydrophobicContact SD-CH2 3.72Å; M103-W292 HydrophobicContact SD-CZ3 4.28Å; H226-W292 AromaticContact CD2-CZ3 3.76Å; H226-W292 AromaticContact NE2-CH2 3.59Å; H226-W292 AromaticContact NE2-CZ2 3.85Å; H226-W292 AromaticContact NE2-CZ3 3.68Å; N289-W292 WeakPolarHBondContact O-CB 3.33Å; N289-W292 PolarHBondContact O-N 3.16Å; L290-W292 VanDerWaalsContact C-N 3.3Å; W292-T418 WeakPolarHBondContact O-CA 3.37Å |
| 293 | P | 88.9 | Confident | 92.6 | Very high | 40 Ų | 40 | 14.9 Ų | 14.9 | 26% | 0.26 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -89.5 | 5.8 | 11.3 | 36.2 | -36.9 | 0 | 0 | 0 | 115.6 | Q422 | P293-Q422 HydrophobicContact CG-CG 4.07Š|
| 294 | L | 92.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 14.8 Ų | 14.8 | 5% | 0.052 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -66.2 | 135 | 177.9 | -169.8 | 65 | 0 | 0 | 0 | 110.3 | L265 I291 T421 L425 F467 N472 W476 | L265-L294 HydrophobicContact CD1-CD2 3.66Å; I291-L294 HydrophobicContact CB-CB 4.41Å; I291-L294 HydrophobicContact CD1-CB 4.31Å; I291-L294 HydrophobicContact CD1-CD2 4.14Å; I291-L294 HydrophobicContact CD1-CG 4.31Å; I291-L294 HydrophobicContact CG1-CB 4.47Å; I291-L294 WeakPolarHBondContact O-CA 3.37Å; I291-L294 WeakPolarHBondContact O-CB 3.49Å; I291-L294 PolarHBondContact O-N 2.8Å; L294-T421 HydrophobicContact CB-CG2 4.08Å; L294-L425 HydrophobicContact CB-CD1 4.41Å; L294-L425 HydrophobicContact CD1-CD1 4.29Å; L294-L425 HydrophobicContact CD1-CD2 4.41Å; L294-F467 HydrophobicContact CD2-CE2 3.83Å; L294-F467 HydrophobicContact CD2-CZ 3.84Å; L294-N472 HydrophobicContact CD2-CB 4.29Å; L294-W476 HydrophobicContact CD1-CB 3.83Å; L294-W476 HydrophobicContact CD1-CG 3.94Å |
| 295 | R | 93.5 | Very high | 92.7 | Very high | 45 Ų | 45 | 15 Ų | 15 | 17% | 0.17 | 8% | 0.075 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 131.7 | 171.7 | -175.3 | -179.4 | -179.6 | 160.4 | -2.6 | 109 | F101 A102 E104 C297 F475 | F101-R295 HydrophobicContact CB-CB 4.39Å; F101-R295 WeakPolarHBondContact O-CD 3.42Å; A102-R295 HydrophobicContact CB-CB 4.44Å; E104-R295 IonicContact OE2-CZ 2.8Å; E104-R295 IonicContact OE2-NH1 3.28Å; E104-R295 PolarHBondContact OE2-NH1 3.17Å; R295-C297 PolarHBondContact O-N 3.34Å; R295-F475 HydrophobicContact CB-CD1 4.37Å; R295-F475 HydrophobicContact CB-CE1 4.11Å; R295-F475 VanDerWaalsContact CD-CE1 3.49Å; R295-F475 HydrophobicContact CG-CE1 4.37Å |
| 296 | Y | 95.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 17 Ų | 17 | 6% | 0.059 | 9% | 0.088 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 116.8 | 165.8 | -173.3 | -107.1 | 0 | 0 | 0 | 109.1 | V264 V288 I291 Y298 D299 F300 I327 | V264-Y296 HydrophobicContact CG1-CD2 3.75Å; V264-Y296 HydrophobicContact CG1-CE2 3.91Å; V264-Y296 WeakPolarHBondContact O-CE2 3.38Å; V288-Y296 HydrophobicContact CG1-CD1 4.37Å; V288-Y296 HydrophobicContact CG1-CG 4.32Å; V288-Y296 HydrophobicContact CG2-CD1 4.11Å; V288-Y296 HydrophobicContact CG2-CE1 4.46Å; I291-Y296 HydrophobicContact CD1-CD2 4.05Å; Y296-Y298 VanDerWaalsContact CD1-O 3.25Å; Y296-Y298 WeakPolarHBondContact CD1-O 3.4Å; Y296-Y298 WeakPolarHBondContact CE1-O 3.32Å; Y296-Y298 HydrophobicContact CE2-CD2 4.24Å; Y296-Y298 VanDerWaalsContact CZ-CB 3.48Å; Y296-Y298 WeakPolarHBondContact OH-CB 3.39Å; Y296-D299 WeakPolarHBondContact CE1-O 3.3Å; Y296-F300 AromaticContact CD1-CD1 3.84Å; Y296-F300 HydrophobicContact CD1-CD1 3.84Å; Y296-F300 HydrophobicContact CE1-CB 4.16Å; Y296-F300 HydrophobicContact CE1-CD1 4.13Å; Y296-I327 HydrophobicContact CE1-CD1 4.13Å; Y296-I327 HydrophobicContact CE1-CG1 4.5Å; Y296-I327 HydrophobicContact CE2-CD1 4.06Å; Y296-I327 WeakPolarHBondContact OH-CG1 3.29Å |
| 297 | C | 94.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 21 Ų | 21 | 24% | 0.236 | 11% | 0.107 | C | C | . | . | trans | -101.9 | 5.1 | -171.2 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | R295 K471 N472 F475 | R295-C297 PolarHBondContact O-N 3.34Å; C297-K471 HydrophobicContact CB-CB 4.22Å; C297-N472 WeakPolarHBondContact CB-OD1 3.44Å; C297-N472 PolarHBondContact N-OD1 2.85Å; C297-F475 HydrophobicContact CB-CB 4.42Å; C297-F475 WeakPolarHBondContact SG-CB 3.33Å; C297-F475 VanDerWaalsContact SG-CD1 3.55Å; C297-F475 WeakPolarHBondContact SG-CG 3.27Å | ||
| 298 | Y | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 21.6 Ų | 21.6 | 10% | 0.098 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -102.7 | 167.3 | 176.3 | -67.6 | -82.3 | 0 | 0 | 0 | 110.5 | Y296 N325 T470 K471 N472 | Y296-Y298 VanDerWaalsContact CD1-O 3.25Å; Y296-Y298 WeakPolarHBondContact CD1-O 3.4Å; Y296-Y298 WeakPolarHBondContact CE1-O 3.32Å; Y296-Y298 HydrophobicContact CE2-CD2 4.24Å; Y296-Y298 VanDerWaalsContact CZ-CB 3.48Å; Y296-Y298 WeakPolarHBondContact OH-CB 3.39Å; Y298-N325 WeakPolarHBondContact CB-O 3.17Å; Y298-N325 HydrophobicContact CD1-CB 3.22Å; Y298-N325 HydrophobicContact CE1-CB 3.49Å; Y298-N325 VanDerWaalsContact CE1-CB 3.49Å; Y298-N325 HydrophobicContact CG-CB 3.99Å; Y298-T470 WeakPolarHBondContact OH-CA 3.37Å; Y298-T470 WeakPolarHBondContact OH-CB 3.34Å; Y298-K471 HydrophobicContact CD1-CB 4.45Å; Y298-K471 HydrophobicContact CD1-CD 3.91Å; Y298-K471 HydrophobicContact CD1-CG 4.4Å; Y298-K471 HydrophobicContact CD2-CB 4.45Å; Y298-K471 HydrophobicContact CE1-CB 3.95Å; Y298-K471 HydrophobicContact CE1-CD 3.66Å; Y298-K471 HydrophobicContact CE1-CG 3.74Å; Y298-K471 HydrophobicContact CE2-CB 3.89Å; Y298-K471 PolarHBondContact OH-N 2.81Å; Y298-N472 WeakPolarHBondContact CD2-OD1 3.29Å |
| 299 | D | 93.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 25.7 Ų | 25.7 | 17% | 0.171 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 148.5 | 179.9 | -164.5 | -13.5 | 0 | 0 | 0 | 110 | R77 R79 Y296 R301 V326 I327 | R77-D299 IonicContact CZ-OD1 3.11Å; R77-D299 IonicContact NH2-OD1 3.87Å; R77-D299 PolarHBondContact NH2-OD1 2.66Å; R79-D299 IonicContact NH2-OD2 3.9Å; Y296-D299 WeakPolarHBondContact CE1-O 3.3Å; D299-R301 IonicContact OD1-NE 3.91Å; D299-R301 PolarHBondContact OD1-NE 3.09Å; D299-R301 VanDerWaalsContact OD1-NE 3.11Å; D299-R301 IonicContact OD1-NH2 2.7Å; D299-R301 IonicContact OD2-CZ 2.69Å; D299-R301 IonicContact OD2-NE 2.67Å; D299-R301 PolarHBondContact OD2-NE 2.87Å; D299-R301 IonicContact OD2-NH2 2.87Å; D299-R301 PolarHBondContact OD2-NH2 2.9Å; D299-V326 HydrophobicContact CB-CB 4.3Å; D299-V326 HydrophobicContact CB-CG2 3.87Å; D299-V326 VanDerWaalsContact O-CA 3.25Å; D299-V326 WeakPolarHBondContact O-CA 3.49Å; D299-V326 WeakPolarHBondContact O-CG2 3.36Å; D299-I327 PolarHBondContact O-N 2.63Å; D299-I327 VanDerWaalsContact O-N 3.11Å |
| 300 | F | 95.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 25.1 Ų | 25.1 | 4% | 0.039 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.8 | 167.2 | 65.1 | -81.9 | 0 | 0 | 0 | 110.1 | R77 Y111 V284 V288 Y296 P302 I327 | R77-F300 VanDerWaalsContact CZ-CE1 3.43Å; R77-F300 PolarHBondContact NE-O 3.46Å; R77-F300 VanDerWaalsContact NH1-CE1 3.27Å; R77-F300 PolarHBondContact NH2-O 2.95Å; Y111-F300 HydrophobicContact CE1-CZ 4.45Å; V284-F300 HydrophobicContact CG1-CB 4.19Å; V284-F300 HydrophobicContact CG1-CD2 4.15Å; V288-F300 HydrophobicContact CG1-CE1 4.27Å; V288-F300 HydrophobicContact CG1-CZ 4.37Å; V288-F300 HydrophobicContact CG2-CB 3.89Å; V288-F300 HydrophobicContact CG2-CD1 3.93Å; V288-F300 HydrophobicContact CG2-CD2 3.79Å; V288-F300 HydrophobicContact CG2-CE1 4.39Å; V288-F300 HydrophobicContact CG2-CE2 4.26Å; V288-F300 HydrophobicContact CG2-CG 3.6Å; Y296-F300 AromaticContact CD1-CD1 3.84Å; Y296-F300 HydrophobicContact CD1-CD1 3.84Å; Y296-F300 HydrophobicContact CE1-CB 4.16Å; Y296-F300 HydrophobicContact CE1-CD1 4.13Å; F300-P302 HydrophobicContact CD2-CG 3.83Å; F300-P302 HydrophobicContact CE2-CG 3.92Å; F300-I327 CarbonylContact C-O 3.54Å; F300-I327 VanDerWaalsContact CA-O 3.22Å; F300-I327 WeakPolarHBondContact CA-O 3.23Å; F300-I327 HydrophobicContact CB-CB 4.03Å |
| 301 | R | 94.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 98.2 | 175.6 | -55.3 | -63.3 | 172.9 | 96.3 | 7.3 | 107.7 | D299 Y303 F304 D308 D310 F314 I327 L328 G329 | D299-R301 IonicContact OD1-NE 3.91Å; D299-R301 PolarHBondContact OD1-NE 3.09Å; D299-R301 VanDerWaalsContact OD1-NE 3.11Å; D299-R301 IonicContact OD1-NH2 2.7Å; D299-R301 IonicContact OD2-CZ 2.69Å; D299-R301 IonicContact OD2-NE 2.67Å; D299-R301 PolarHBondContact OD2-NE 2.87Å; D299-R301 IonicContact OD2-NH2 2.87Å; D299-R301 PolarHBondContact OD2-NH2 2.9Å; R301-Y303 PolarHBondContact O-N 3.15Å; R301-Y303 VanDerWaalsContact O-N 3.16Å; R301-F304 HydrophobicContact CB-CB 3.92Å; R301-F304 HydrophobicContact CB-CD2 4.05Å; R301-F304 HydrophobicContact CB-CG 4.34Å; R301-F304 HydrophobicContact CG-CD2 3.9Å; R301-D308 IonicContact NH1-OD1 3.3Å; R301-D308 PolarHBondContact NH1-OD1 3.19Å; R301-D308 IonicContact NH1-OD2 2.92Å; R301-D308 PolarHBondContact NH1-OD2 3.4Å; R301-D310 IonicContact CZ-OD2 3.9Å; R301-D310 VanDerWaalsContact CZ-OD2 3.32Å; R301-D310 IonicContact NH1-OD2 2.87Å; R301-D310 PolarHBondContact NH1-OD2 3.23Å; R301-D310 VanDerWaalsContact NH1-OD2 3.09Å; R301-D310 IonicContact NH2-OD2 3.91Å; R301-D310 PolarHBondContact NH2-OD2 3.46Å; R301-F314 HydrophobicContact CG-CE2 4.4Å; R301-I327 PolarHBondContact N-O 2.94Å; R301-L328 HydrophobicContact CB-CD2 3.64Å; R301-L328 HydrophobicContact CG-CD2 3.5Å; R301-L328 VanDerWaalsContact CG-CD2 3.5Å; R301-G329 PolarHBondContact O-N 2.86Å |
| 302 | P | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -53.5 | -36.9 | 179.8 | -26.6 | 34.7 | 0 | 0 | 0 | 112.4 | H75 R77 V280 S281 V284 F300 | H75-P302 WeakPolarHBondContact O-CB 3.3Å; R77-P302 HydrophobicContact CG-CG 4.42Å; V280-P302 CarbonylContact C-O 3.55Å; S281-P302 WeakPolarHBondContact CA-O 3.41Å; S281-P302 PolarHBondContact N-O 2.94Å; V284-P302 HydrophobicContact CB-CB 4.48Å; V284-P302 HydrophobicContact CG1-CB 4.39Å; V284-P302 HydrophobicContact CG1-CG 4.41Å; F300-P302 HydrophobicContact CD2-CG 3.83Å; F300-P302 HydrophobicContact CE2-CG 3.92Å |
| 303 | Y | 94.8 | Very high | 90 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -139.4 | 135.9 | 169.3 | 177.4 | -117.8 | 0 | 0 | 0 | 109.5 | L59 F61 P62 D63 F74 P277 V280 R301 T305 G329 T331 | L59-Y303 HydrophobicContact CD2-CD1 4.25Å; L59-Y303 HydrophobicContact CD2-CE1 4.5Å; L59-Y303 WeakPolarHBondContact O-CD1 3.39Å; L59-Y303 VanDerWaalsContact O-CE1 3.27Å; L59-Y303 WeakPolarHBondContact O-CE1 3.46Å; F61-Y303 PolarHBondContact O-OH 2.93Å; F61-Y303 VanDerWaalsContact O-OH 3.05Å; P62-Y303 WeakPolarHBondContact CA-OH 3.39Å; D63-Y303 PolarHBondContact N-OH 3.29Å; F74-Y303 HydrophobicContact CD2-CD1 4.13Å; F74-Y303 HydrophobicContact CD2-CG 4.46Å; F74-Y303 AromaticContact CE2-CD1 3.76Å; F74-Y303 HydrophobicContact CE2-CD1 3.76Å; F74-Y303 AromaticContact CE2-CE1 3.98Å; F74-Y303 HydrophobicContact CE2-CE1 3.98Å; F74-Y303 HydrophobicContact CE2-CG 4.48Å; P277-Y303 HydrophobicContact CB-CD1 4.32Å; P277-Y303 HydrophobicContact CB-CD2 3.69Å; P277-Y303 HydrophobicContact CB-CE1 4.28Å; P277-Y303 HydrophobicContact CB-CE2 3.66Å; P277-Y303 HydrophobicContact CB-CG 4.03Å; V280-Y303 HydrophobicContact CG2-CD2 4Å; R301-Y303 PolarHBondContact O-N 3.15Å; R301-Y303 VanDerWaalsContact O-N 3.16Å; Y303-T305 HydrophobicContact CD1-CG2 4.46Å; Y303-T305 HydrophobicContact CE1-CG2 3.62Å; Y303-T305 HydrophobicContact CE2-CG2 4.24Å; Y303-T305 VanDerWaalsContact CZ-CG2 3.49Å; Y303-T305 WeakPolarHBondContact OH-CG2 3.38Å; Y303-G329 CarbonylContact C-O 3.51Å; Y303-G329 WeakPolarHBondContact CA-O 3.29Å; Y303-T331 HydrophobicContact CE2-CG2 4.01Å |
| 304 | F | 92.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | trans | -143.6 | 134.1 | -172.1 | -170.4 | -104.1 | 0 | 0 | 0 | 110.5 | R301 D308 F311 F314 L328 G329 T330 F335 | R301-F304 HydrophobicContact CB-CB 3.92Å; R301-F304 HydrophobicContact CB-CD2 4.05Å; R301-F304 HydrophobicContact CB-CG 4.34Å; R301-F304 HydrophobicContact CG-CD2 3.9Å; F304-D308 HydrophobicContact CD2-CB 3.86Å; F304-D308 WeakPolarHBondContact CD2-OD2 3.43Å; F304-D308 HydrophobicContact CE2-CB 3.31Å; F304-D308 WeakPolarHBondContact CE2-OD2 3.43Å; F304-D308 HydrophobicContact CZ-CB 3.75Å; F304-F311 HydrophobicContact CE1-CB 4.46Å; F304-F311 AromaticContact CE1-CD2 3.98Å; F304-F311 HydrophobicContact CE1-CD2 3.98Å; F304-F311 HydrophobicContact CZ-CB 4.15Å; F304-F311 HydrophobicContact CZ-CD2 4.5Å; F304-F314 HydrophobicContact CE1-CD2 4.02Å; F304-F314 AromaticContact CE2-CD2 3.83Å; F304-F314 HydrophobicContact CE2-CD2 3.83Å; F304-F314 AromaticContact CE2-CE2 3.79Å; F304-F314 HydrophobicContact CE2-CE2 3.79Å; F304-F314 AromaticContact CZ-CD2 3.48Å; F304-F314 HydrophobicContact CZ-CD2 3.48Å; F304-F314 VanDerWaalsContact CZ-CD2 3.48Å; F304-F314 AromaticContact CZ-CE2 3.93Å; F304-F314 HydrophobicContact CZ-CE2 3.93Å; F304-L328 HydrophobicContact CB-CD2 4.47Å; F304-L328 HydrophobicContact CD2-CD2 4.44Å; F304-L328 HydrophobicContact CG-CD2 4.23Å; F304-G329 PolarHBondContact N-O 3.04Å; F304-T330 PolarHBondContact O-OG1 2.91Å; F304-T330 VanDerWaalsContact O-OG1 3.13Å; F304-F335 AromaticContact CD1-CE1 3.85Å; F304-F335 HydrophobicContact CD1-CE1 3.85Å; F304-F335 AromaticContact CD1-CZ 3.7Å; F304-F335 HydrophobicContact CD1-CZ 3.7Å; F304-F335 AromaticContact CE1-CE1 3.88Å; F304-F335 HydrophobicContact CE1-CE1 3.88Å; F304-F335 AromaticContact CE1-CZ 3.92Å; F304-F335 HydrophobicContact CE1-CZ 3.92Å | ||
| 305 | T | 91.3 | Very high | 88.8 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | trans | -123.8 | 168.5 | -178 | 66.6 | 0 | 0 | 0 | 0 | 110.6 | L59 D63 Y303 Q307 D308 | L59-T305 HydrophobicContact CD2-CG2 4.02Å; D63-T305 HydrophobicContact CB-CG2 3.84Å; Y303-T305 HydrophobicContact CD1-CG2 4.46Å; Y303-T305 HydrophobicContact CE1-CG2 3.62Å; Y303-T305 HydrophobicContact CE2-CG2 4.24Å; Y303-T305 VanDerWaalsContact CZ-CG2 3.49Å; Y303-T305 WeakPolarHBondContact OH-CG2 3.38Å; T305-Q307 PolarHBondContact O-N 3.49Å; T305-D308 PolarHBondContact O-N 3.01Å | ||
| 306 | V | 87.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 40.1 Ų | 40.1 | 30% | 0.297 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.5 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | F311 F334 F335 | V306-F311 HydrophobicContact CB-CD2 4.2Å; V306-F311 HydrophobicContact CB-CE2 4.09Å; V306-F311 HydrophobicContact CG1-CD2 4.28Å; V306-F311 HydrophobicContact CG1-CE2 3.76Å; V306-F311 HydrophobicContact CG1-CZ 4.3Å; V306-F334 HydrophobicContact CG1-CD1 3.69Å; V306-F334 HydrophobicContact CG1-CE1 4.13Å; V306-F335 HydrophobicContact CG1-CE2 3.73Å; V306-F335 HydrophobicContact CG1-CZ 3.86Å |
| 307 | Q | 86.7 | Confident | 85.4 | Confident | 84 Ų | 84 | 44.7 Ų | 44.7 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -5.7 | -177.8 | -56.4 | -150.9 | 49.6 | 0 | 0 | 112.9 | Y58 T305 | Y58-Q307 HydrophobicContact CD1-CB 4.07Å; Y58-Q307 VanDerWaalsContact CD1-CD 3.42Å; Y58-Q307 HydrophobicContact CD1-CG 4.32Å; Y58-Q307 HydrophobicContact CD2-CB 4Å; Y58-Q307 HydrophobicContact CG-CB 3.72Å; Y58-Q307 HydrophobicContact CG-CG 4.46Å; Y58-Q307 VanDerWaalsContact CZ-OE1 3.28Å; T305-Q307 PolarHBondContact O-N 3.49Å |
| 308 | D | 86.2 | Confident | 83.1 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -65.2 | 137.2 | 174.6 | -167.1 | -56.9 | 0 | 0 | 0 | 109.8 | R301 F304 T305 D310 F311 | R301-D308 IonicContact NH1-OD1 3.3Å; R301-D308 PolarHBondContact NH1-OD1 3.19Å; R301-D308 IonicContact NH1-OD2 2.92Å; R301-D308 PolarHBondContact NH1-OD2 3.4Å; F304-D308 HydrophobicContact CD2-CB 3.86Å; F304-D308 WeakPolarHBondContact CD2-OD2 3.43Å; F304-D308 HydrophobicContact CE2-CB 3.31Å; F304-D308 WeakPolarHBondContact CE2-OD2 3.43Å; F304-D308 HydrophobicContact CZ-CB 3.75Å; T305-D308 PolarHBondContact O-N 3.01Å; D308-D310 PolarHBondContact O-N 2.94Å; D308-D310 VanDerWaalsContact O-N 3.15Å; D308-D310 WeakPolarHBondContact OD1-CB 3.42Å; D308-D310 PolarHBondContact OD1-N 3.3Å; D308-F311 WeakPolarHBondContact O-CB 3.25Å; D308-F311 PolarHBondContact O-N 2.93Å |
| 309 | N | 82.5 | Confident | 80.7 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -28.9 | -178.6 | -69.4 | -37.3 | 0 | 0 | 0 | 112.3 | F311 | N309-F311 VanDerWaalsContact C-N 3.26Å; N309-F311 PolarHBondContact O-N 3.36Å |
| 310 | D | 84.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 55 Ų | 55 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.5 | -179 | -60.1 | -14.1 | 0 | 0 | 0 | 112.1 | R79 R301 D308 K312 E313 F314 | R79-D310 IonicContact CZ-OD2 3.84Å; R79-D310 IonicContact NE-OD1 2.81Å; R79-D310 IonicContact NE-OD2 3.9Å; R79-D310 PolarHBondContact NE-OD2 3.48Å; R79-D310 IonicContact NH2-OD2 2.94Å; R79-D310 PolarHBondContact NH2-OD2 2.87Å; R301-D310 IonicContact CZ-OD2 3.9Å; R301-D310 VanDerWaalsContact CZ-OD2 3.32Å; R301-D310 IonicContact NH1-OD2 2.87Å; R301-D310 PolarHBondContact NH1-OD2 3.23Å; R301-D310 VanDerWaalsContact NH1-OD2 3.09Å; R301-D310 IonicContact NH2-OD2 3.91Å; R301-D310 PolarHBondContact NH2-OD2 3.46Å; D308-D310 PolarHBondContact O-N 2.94Å; D308-D310 VanDerWaalsContact O-N 3.15Å; D308-D310 WeakPolarHBondContact OD1-CB 3.42Å; D308-D310 PolarHBondContact OD1-N 3.3Å; D310-K312 VanDerWaalsContact C-N 3.27Å; D310-K312 PolarHBondContact O-N 3.4Å; D310-E313 WeakPolarHBondContact O-CB 3.34Å; D310-E313 PolarHBondContact O-N 3Å; D310-F314 HydrophobicContact CB-CD2 4.47Å; D310-F314 HydrophobicContact CB-CE2 3.9Å; D310-F314 HydrophobicContact CB-CZ 4.23Å; D310-F314 PolarHBondContact O-N 2.85Å |
| 311 | F | 84.9 | Confident | 75.9 | Confident | 37 Ų | 37 | 60 Ų | 60 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -54.4 | -42.3 | 179.2 | 177.3 | -93.6 | 0 | 0 | 0 | 113 | F304 V306 D308 N309 E313 F314 V315 F334 F335 | F304-F311 HydrophobicContact CE1-CB 4.46Å; F304-F311 AromaticContact CE1-CD2 3.98Å; F304-F311 HydrophobicContact CE1-CD2 3.98Å; F304-F311 HydrophobicContact CZ-CB 4.15Å; F304-F311 HydrophobicContact CZ-CD2 4.5Å; V306-F311 HydrophobicContact CB-CD2 4.2Å; V306-F311 HydrophobicContact CB-CE2 4.09Å; V306-F311 HydrophobicContact CG1-CD2 4.28Å; V306-F311 HydrophobicContact CG1-CE2 3.76Å; V306-F311 HydrophobicContact CG1-CZ 4.3Å; D308-F311 WeakPolarHBondContact O-CB 3.25Å; D308-F311 PolarHBondContact O-N 2.93Å; N309-F311 VanDerWaalsContact C-N 3.26Å; N309-F311 PolarHBondContact O-N 3.36Å; F311-E313 VanDerWaalsContact C-N 3.28Å; F311-E313 PolarHBondContact O-N 3.16Å; F311-F314 PolarHBondContact O-N 2.77Å; F311-V315 HydrophobicContact CD2-CG2 4.01Å; F311-V315 HydrophobicContact CE1-CB 4.14Å; F311-V315 HydrophobicContact CE1-CG1 4.18Å; F311-V315 HydrophobicContact CE1-CG2 4.16Å; F311-V315 HydrophobicContact CE2-CB 4.39Å; F311-V315 HydrophobicContact CE2-CG2 3.53Å; F311-V315 HydrophobicContact CZ-CB 3.96Å; F311-V315 HydrophobicContact CZ-CG1 3.89Å; F311-V315 HydrophobicContact CZ-CG2 3.57Å; F311-V315 WeakPolarHBondContact O-CB 3.22Å; F311-V315 WeakPolarHBondContact O-CG2 3.37Å; F311-V315 PolarHBondContact O-N 2.79Å; F311-F334 HydrophobicContact CE2-CE1 4.4Å; F311-F334 AromaticContact CZ-CE1 3.79Å; F311-F334 HydrophobicContact CZ-CE1 3.79Å; F311-F335 AromaticContact CD2-CE1 3.86Å; F311-F335 HydrophobicContact CD2-CE1 3.86Å; F311-F335 AromaticContact CD2-CZ 3.91Å; F311-F335 HydrophobicContact CD2-CZ 3.91Å; F311-F335 HydrophobicContact CE2-CD1 4.33Å; F311-F335 AromaticContact CE2-CE1 3.48Å; F311-F335 HydrophobicContact CE2-CE1 3.48Å; F311-F335 VanDerWaalsContact CE2-CE1 3.48Å; F311-F335 AromaticContact CE2-CZ 3.71Å; F311-F335 HydrophobicContact CE2-CZ 3.71Å |
| 312 | K | 80.9 | Confident | 73.7 | Confident | 161 Ų | 161 | 62.6 Ų | 62.6 | 70% | 0.7 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64 | -36.2 | 179.3 | -65.3 | 178.7 | -177 | 173.1 | 0 | 111.5 | D310 L316 | D310-K312 VanDerWaalsContact C-N 3.27Å; D310-K312 PolarHBondContact O-N 3.4Å; K312-L316 VanDerWaalsContact O-CD1 3.22Å; K312-L316 WeakPolarHBondContact O-CD1 3.47Å; K312-L316 WeakPolarHBondContact O-CG 3.11Å; K312-L316 PolarHBondContact O-N 2.86Å |
| 313 | E | 79.7 | Confident | 71.7 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 179.1 | -170 | -179.2 | 161.5 | 0 | 0 | 111.3 | D310 F311 H324 | D310-E313 WeakPolarHBondContact O-CB 3.34Å; D310-E313 PolarHBondContact O-N 3Å; F311-E313 VanDerWaalsContact C-N 3.28Å; F311-E313 PolarHBondContact O-N 3.16Å; E313-H324 IonicContact OE1-CE1 3.75Å; E313-H324 PolarHBondContact OE1-CE1 3.3Å; E313-H324 IonicContact OE1-CG 2.89Å; E313-H324 IonicContact OE1-ND1 2.91Å; E313-H324 PolarHBondContact OE1-ND1 3.4Å; E313-H324 IonicContact OE1-NE2 2.89Å |
| 314 | F | 80.4 | Confident | 70.5 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 5% | 0.053 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -85.4 | -17.4 | -175.9 | -58 | -36.8 | 0 | 0 | 0 | 115.3 | R301 F304 D310 F311 H324 V326 L328 W342 | R301-F314 HydrophobicContact CG-CE2 4.4Å; F304-F314 HydrophobicContact CE1-CD2 4.02Å; F304-F314 AromaticContact CE2-CD2 3.83Å; F304-F314 HydrophobicContact CE2-CD2 3.83Å; F304-F314 AromaticContact CE2-CE2 3.79Å; F304-F314 HydrophobicContact CE2-CE2 3.79Å; F304-F314 AromaticContact CZ-CD2 3.48Å; F304-F314 HydrophobicContact CZ-CD2 3.48Å; F304-F314 VanDerWaalsContact CZ-CD2 3.48Å; F304-F314 AromaticContact CZ-CE2 3.93Å; F304-F314 HydrophobicContact CZ-CE2 3.93Å; D310-F314 HydrophobicContact CB-CD2 4.47Å; D310-F314 HydrophobicContact CB-CE2 3.9Å; D310-F314 HydrophobicContact CB-CZ 4.23Å; D310-F314 PolarHBondContact O-N 2.85Å; F311-F314 PolarHBondContact O-N 2.77Å; F314-H324 HydrophobicContact CD1-CB 4.25Å; F314-H324 HydrophobicContact CE1-CB 4.21Å; F314-V326 HydrophobicContact CD1-CG1 4.02Å; F314-V326 HydrophobicContact CE1-CB 4.36Å; F314-V326 HydrophobicContact CE1-CG1 4.01Å; F314-V326 HydrophobicContact CE1-CG2 4.43Å; F314-V326 HydrophobicContact CZ-CG1 4.49Å; F314-V326 HydrophobicContact CZ-CG2 4.2Å; F314-L328 HydrophobicContact CB-CD1 4.21Å; F314-L328 HydrophobicContact CD2-CD1 4.12Å; F314-L328 HydrophobicContact CD2-CD2 4.02Å; F314-L328 HydrophobicContact CE2-CD2 3.98Å; F314-L328 HydrophobicContact CG-CD1 4.24Å; F314-W342 WeakPolarHBondContact O-CZ3 3.08Å |
| 315 | V | 75.1 | Confident | 70.2 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -109.7 | -16.1 | -170.6 | 172.8 | 0 | 0 | 0 | 0 | 114.5 | F311 F335 A338 L339 | F311-V315 HydrophobicContact CD2-CG2 4.01Å; F311-V315 HydrophobicContact CE1-CB 4.14Å; F311-V315 HydrophobicContact CE1-CG1 4.18Å; F311-V315 HydrophobicContact CE1-CG2 4.16Å; F311-V315 HydrophobicContact CE2-CB 4.39Å; F311-V315 HydrophobicContact CE2-CG2 3.53Å; F311-V315 HydrophobicContact CZ-CB 3.96Å; F311-V315 HydrophobicContact CZ-CG1 3.89Å; F311-V315 HydrophobicContact CZ-CG2 3.57Å; F311-V315 WeakPolarHBondContact O-CB 3.22Å; F311-V315 WeakPolarHBondContact O-CG2 3.37Å; F311-V315 PolarHBondContact O-N 2.79Å; V315-F335 HydrophobicContact CG2-CE1 4.5Å; V315-A338 HydrophobicContact CG1-CB 3.73Å; V315-A338 HydrophobicContact CG2-CB 4.28Å; V315-L339 HydrophobicContact CG2-CD2 3.85Å |
| 316 | L | 64.4 | Low | 70.2 | Confident | 122 Ų | 122 | 72.3 Ų | 72.3 | 64% | 0.639 | 44% | 0.437 | S | S | * | . | trans | -61.3 | 127.4 | -173.2 | -84.9 | 164.8 | 0 | 0 | 0 | 113.6 | K312 N318 | K312-L316 VanDerWaalsContact O-CD1 3.22Å; K312-L316 WeakPolarHBondContact O-CD1 3.47Å; K312-L316 WeakPolarHBondContact O-CG 3.11Å; K312-L316 PolarHBondContact O-N 2.86Å; L316-N318 PolarHBondContact O-N 3.05Å | ||
| 317 | P | 54.6 | Low | 70.6 | Confident | 111 Ų | 111 | 70 Ų | 70 | 72% | 0.721 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28 | -178.6 | -20 | 30.7 | 0 | 0 | 0 | 115.3 | ||
| 318 | N | 45.3 | Very low | 70.9 | Confident | 158 Ų | 158 | 66 Ų | 66 | 85% | 0.845 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 19.7 | -166.4 | -67.4 | -7.6 | 0 | 0 | 0 | 113.6 | L316 A320 | L316-N318 PolarHBondContact O-N 3.05Å; N318-A320 PolarHBondContact O-N 3.14Å |
| 319 | G | 45 | Very low | 71.3 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 62% | 0.619 | 40% | 0.401 | S | S | * | . | trans | -80.1 | 101.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A321 | G319-A321 PolarHBondContact O-N 2.83Š| ||
| 320 | A | 42.9 | Very low | 71.8 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 75% | 0.752 | 38% | 0.376 | S | S | * | . | trans | -45.1 | 126.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N318 A322 | N318-A320 PolarHBondContact O-N 3.14Å; A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 3.39Å | ||
| 321 | A | 45.2 | Very low | 72 | Confident | 114 Ų | 114 | 60 Ų | 60 | 94% | 0.942 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 58.2 | 1.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | G319 | G319-A321 PolarHBondContact O-N 2.83Š|
| 322 | A | 47.4 | Very low | 72.1 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 49% | 0.488 | 37% | 0.372 | S | S | . | . | trans | -127.9 | 82.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | A320 H324 | A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 3.39Å; A322-H324 VanDerWaalsContact C-N 3.3Å; A322-H324 PolarHBondContact O-CD2 3.03Å; A322-H324 PolarHBondContact O-N 2.85Å | ||
| 323 | A | 53.9 | Low | 72.2 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | trans | -56.5 | 104.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106 | P269 N325 | P269-A323 HydrophobicContact CG-CB 4.45Å; A323-N325 PolarHBondContact O-N 3.4Å; A323-N325 PolarHBondContact O-OD1 3.26Å; A323-N325 VanDerWaalsContact O-OD1 3.12Å | ||
| 324 | H | 68.7 | Low | 72.3 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | trans | -57.9 | 113.7 | 180 | -71.1 | -104.3 | 0 | 0 | 0 | 106.8 | E313 F314 A322 V326 | E313-H324 IonicContact OE1-CE1 3.75Å; E313-H324 PolarHBondContact OE1-CE1 3.3Å; E313-H324 IonicContact OE1-CG 2.89Å; E313-H324 IonicContact OE1-ND1 2.91Å; E313-H324 PolarHBondContact OE1-ND1 3.4Å; E313-H324 IonicContact OE1-NE2 2.89Å; F314-H324 HydrophobicContact CD1-CB 4.25Å; F314-H324 HydrophobicContact CE1-CB 4.21Å; A322-H324 VanDerWaalsContact C-N 3.3Å; A322-H324 PolarHBondContact O-CD2 3.03Å; A322-H324 PolarHBondContact O-N 2.85Å; H324-V326 VanDerWaalsContact C-N 3.3Å; H324-V326 WeakPolarHBondContact O-CG1 3.14Å; H324-V326 PolarHBondContact O-N 3.06Å | ||
| 325 | N | 87.3 | Confident | 72.5 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | trans | -62.9 | 91 | 179.4 | -65.9 | 70 | 0 | 0 | 0 | 108.5 | G267 Y298 A323 | G267-N325 WeakPolarHBondContact O-CB 3.4Å; G267-N325 PolarHBondContact O-ND2 3.47Å; Y298-N325 WeakPolarHBondContact CB-O 3.17Å; Y298-N325 HydrophobicContact CD1-CB 3.22Å; Y298-N325 HydrophobicContact CE1-CB 3.49Å; Y298-N325 VanDerWaalsContact CE1-CB 3.49Å; Y298-N325 HydrophobicContact CG-CB 3.99Å; A323-N325 PolarHBondContact O-N 3.4Å; A323-N325 PolarHBondContact O-OD1 3.26Å; A323-N325 VanDerWaalsContact O-OD1 3.12Å | ||
| 326 | V | 92.1 | Very high | 72.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.6 | -175.4 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | P269 I270 D299 F314 H324 L328 W342 | P269-V326 VanDerWaalsContact CA-O 3.32Å; P269-V326 WeakPolarHBondContact CA-O 3.32Å; I270-V326 PolarHBondContact N-O 3.35Å; D299-V326 HydrophobicContact CB-CB 4.3Å; D299-V326 HydrophobicContact CB-CG2 3.87Å; D299-V326 VanDerWaalsContact O-CA 3.25Å; D299-V326 WeakPolarHBondContact O-CA 3.49Å; D299-V326 WeakPolarHBondContact O-CG2 3.36Å; F314-V326 HydrophobicContact CD1-CG1 4.02Å; F314-V326 HydrophobicContact CE1-CB 4.36Å; F314-V326 HydrophobicContact CE1-CG1 4.01Å; F314-V326 HydrophobicContact CE1-CG2 4.43Å; F314-V326 HydrophobicContact CZ-CG1 4.49Å; F314-V326 HydrophobicContact CZ-CG2 4.2Å; H324-V326 VanDerWaalsContact C-N 3.3Å; H324-V326 WeakPolarHBondContact O-CG1 3.14Å; H324-V326 PolarHBondContact O-N 3.06Å; V326-L328 HydrophobicContact CB-CD2 4.49Å; V326-L328 HydrophobicContact CG1-CD1 4.03Å; V326-L328 HydrophobicContact CG1-CD2 4.08Å; V326-L328 HydrophobicContact CG1-CG 3.83Å; V326-L328 HydrophobicContact CG2-CD2 3.52Å; V326-L328 HydrophobicContact CG2-CG 4.01Å; V326-W342 HydrophobicContact CG1-CH2 3.83Å; V326-W342 HydrophobicContact CG1-CZ2 3.73Å |
| 327 | I | 95.4 | Very high | 73.5 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.3 | 169.2 | -56.9 | 172.5 | 0 | 0 | 0 | 109.4 | V264 I270 V284 L287 V288 Y296 D299 F300 R301 | V264-I327 HydrophobicContact CG2-CD1 4.01Å; I270-I327 HydrophobicContact CB-CG1 4.24Å; I270-I327 HydrophobicContact CB-CG2 4.27Å; I270-I327 HydrophobicContact CD1-CD1 4.47Å; I270-I327 HydrophobicContact CD1-CG1 4.46Å; I270-I327 CarbonylContact O-C 3.5Å; I270-I327 WeakPolarHBondContact O-CA 3.09Å; V284-I327 HydrophobicContact CB-CG2 4.33Å; V284-I327 HydrophobicContact CG1-CB 4.39Å; V284-I327 HydrophobicContact CG1-CG2 3.77Å; V284-I327 HydrophobicContact CG2-CG2 4.06Å; L287-I327 HydrophobicContact CB-CD1 4.47Å; L287-I327 HydrophobicContact CD1-CG2 4.13Å; V288-I327 HydrophobicContact CG2-CD1 4.29Å; Y296-I327 HydrophobicContact CE1-CD1 4.13Å; Y296-I327 HydrophobicContact CE1-CG1 4.5Å; Y296-I327 HydrophobicContact CE2-CD1 4.06Å; Y296-I327 WeakPolarHBondContact OH-CG1 3.29Å; D299-I327 PolarHBondContact O-N 2.63Å; D299-I327 VanDerWaalsContact O-N 3.11Å; F300-I327 CarbonylContact C-O 3.54Å; F300-I327 VanDerWaalsContact CA-O 3.22Å; F300-I327 WeakPolarHBondContact CA-O 3.23Å; F300-I327 HydrophobicContact CB-CB 4.03Å; R301-I327 PolarHBondContact N-O 2.94Å |
| 328 | L | 93.6 | Very high | 74.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 131.7 | -175.7 | -60.8 | 175.6 | 0 | 0 | 0 | 111.7 | I270 V271 V272 R301 F304 F314 V326 W342 | I270-L328 PolarHBondContact O-N 2.98Å; V271-L328 CarbonylContact C-O 3.49Å; V271-L328 WeakPolarHBondContact CA-O 3.3Å; V271-L328 HydrophobicContact CG2-CB 4.21Å; V271-L328 HydrophobicContact CG2-CD1 4.35Å; V272-L328 PolarHBondContact N-O 3.49Å; R301-L328 HydrophobicContact CB-CD2 3.64Å; R301-L328 HydrophobicContact CG-CD2 3.5Å; R301-L328 VanDerWaalsContact CG-CD2 3.5Å; F304-L328 HydrophobicContact CB-CD2 4.47Å; F304-L328 HydrophobicContact CD2-CD2 4.44Å; F304-L328 HydrophobicContact CG-CD2 4.23Å; F314-L328 HydrophobicContact CB-CD1 4.21Å; F314-L328 HydrophobicContact CD2-CD1 4.12Å; F314-L328 HydrophobicContact CD2-CD2 4.02Å; F314-L328 HydrophobicContact CE2-CD2 3.98Å; F314-L328 HydrophobicContact CG-CD1 4.24Å; V326-L328 HydrophobicContact CB-CD2 4.49Å; V326-L328 HydrophobicContact CG1-CD1 4.03Å; V326-L328 HydrophobicContact CG1-CD2 4.08Å; V326-L328 HydrophobicContact CG1-CG 3.83Å; V326-L328 HydrophobicContact CG2-CD2 3.52Å; V326-L328 HydrophobicContact CG2-CG 4.01Å; L328-W342 HydrophobicContact CD1-CH2 4.32Å; L328-W342 HydrophobicContact CD1-CZ2 4.36Å |
| 329 | G | 93.9 | Very high | 76.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V272 R301 Y303 F304 | V272-G329 WeakPolarHBondContact O-CA 3.33Å; R301-G329 PolarHBondContact O-N 2.86Å; Y303-G329 CarbonylContact C-O 3.51Å; Y303-G329 WeakPolarHBondContact CA-O 3.29Å; F304-G329 PolarHBondContact N-O 3.04Å |
| 330 | T | 92.6 | Very high | 77.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 150.8 | -179.3 | -170.2 | 0 | 0 | 0 | 0 | 113 | V271 V272 M273 G274 F304 F335 | V271-T330 HydrophobicContact CG1-CG2 4.22Å; V272-T330 PolarHBondContact O-N 2.84Å; M273-T330 WeakPolarHBondContact CA-O 3.49Å; M273-T330 HydrophobicContact CG-CG2 4.1Å; G274-T330 PolarHBondContact N-O 3.02Å; F304-T330 PolarHBondContact O-OG1 2.91Å; F304-T330 VanDerWaalsContact O-OG1 3.13Å; T330-F335 HydrophobicContact CG2-CB 3.82Å; T330-F335 HydrophobicContact CG2-CD2 3.82Å; T330-F335 HydrophobicContact CG2-CG 3.82Å; T330-F335 WeakPolarHBondContact OG1-CD2 3.42Å; T330-F335 WeakPolarHBondContact OG1-CE2 3.24Å |
| 331 | T | 89.8 | Confident | 79.5 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | trans | -107.2 | -19.7 | 178.5 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | D63 G274 P277 V280 Y303 P333 | D63-T331 PolarHBondContact O-OG1 3.44Å; G274-T331 VanDerWaalsContact O-CA 3.24Å; G274-T331 WeakPolarHBondContact O-CA 3.43Å; P277-T331 HydrophobicContact CB-CG2 4.48Å; V280-T331 HydrophobicContact CG2-CG2 4.21Å; Y303-T331 HydrophobicContact CE2-CG2 4.01Å; T331-P333 WeakPolarHBondContact O-CD 3.4Å | ||
| 332 | N | 86.9 | Confident | 81.4 | Confident | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | trans | -81.5 | 122.8 | -171.9 | -169.8 | -30.2 | 0 | 0 | 0 | 110.7 | D63 F334 F335 | D63-N332 PolarHBondContact OD1-ND2 3.49Å; D63-N332 PolarHBondContact OD2-ND2 3.34Å; N332-F334 PolarHBondContact O-N 3.16Å; N332-F334 VanDerWaalsContact O-N 3.09Å; N332-F334 WeakPolarHBondContact OD1-CB 3.49Å; N332-F334 PolarHBondContact OD1-N 3.28Å; N332-F335 HydrophobicContact CB-CD2 3.96Å; N332-F335 HydrophobicContact CB-CE2 4.19Å; N332-F335 PolarHBondContact O-N 3.1Å; N332-F335 VanDerWaalsContact O-N 3.16Å | ||
| 333 | P | 81.9 | Confident | 83.3 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 21% | 0.214 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -20.6 | 177.3 | -23.9 | 34.1 | 0 | 0 | 0 | 114.2 | T331 F335 I336 | T331-P333 WeakPolarHBondContact O-CD 3.4Å; P333-F335 PolarHBondContact O-N 2.95Å; P333-I336 HydrophobicContact CB-CD1 4.26Å; P333-I336 WeakPolarHBondContact O-CB 3.38Å; P333-I336 WeakPolarHBondContact O-CG1 3.11Å; P333-I336 PolarHBondContact O-N 3.03Å |
| 334 | F | 83.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 40.3 Ų | 40.3 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.8 | 174.6 | 177.6 | -105.6 | 0 | 0 | 0 | 112.7 | V306 F311 N332 I336 K337 A338 | V306-F334 HydrophobicContact CG1-CD1 3.69Å; V306-F334 HydrophobicContact CG1-CE1 4.13Å; F311-F334 HydrophobicContact CE2-CE1 4.4Å; F311-F334 AromaticContact CZ-CE1 3.79Å; F311-F334 HydrophobicContact CZ-CE1 3.79Å; N332-F334 PolarHBondContact O-N 3.16Å; N332-F334 VanDerWaalsContact O-N 3.09Å; N332-F334 WeakPolarHBondContact OD1-CB 3.49Å; N332-F334 PolarHBondContact OD1-N 3.28Å; F334-I336 PolarHBondContact O-N 2.83Å; F334-I336 VanDerWaalsContact O-N 3.09Å; F334-K337 PolarHBondContact O-N 2.71Å; F334-K337 VanDerWaalsContact O-N 3.15Å; F334-A338 HydrophobicContact CD1-CB 4.31Å; F334-A338 HydrophobicContact CE1-CB 4.06Å; F334-A338 PolarHBondContact O-N 3.24Å; F334-A338 VanDerWaalsContact O-N 3.15Å |
| 335 | F | 84.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -18.1 | 177.4 | -76.1 | -81.1 | 0 | 0 | 0 | 113.9 | M273 F304 V306 F311 V315 T330 N332 P333 K337 L339 | M273-F335 HydrophobicContact CE-CB 4.14Å; F304-F335 AromaticContact CD1-CE1 3.85Å; F304-F335 HydrophobicContact CD1-CE1 3.85Å; F304-F335 AromaticContact CD1-CZ 3.7Å; F304-F335 HydrophobicContact CD1-CZ 3.7Å; F304-F335 AromaticContact CE1-CE1 3.88Å; F304-F335 HydrophobicContact CE1-CE1 3.88Å; F304-F335 AromaticContact CE1-CZ 3.92Å; F304-F335 HydrophobicContact CE1-CZ 3.92Å; V306-F335 HydrophobicContact CG1-CE2 3.73Å; V306-F335 HydrophobicContact CG1-CZ 3.86Å; F311-F335 AromaticContact CD2-CE1 3.86Å; F311-F335 HydrophobicContact CD2-CE1 3.86Å; F311-F335 AromaticContact CD2-CZ 3.91Å; F311-F335 HydrophobicContact CD2-CZ 3.91Å; F311-F335 HydrophobicContact CE2-CD1 4.33Å; F311-F335 AromaticContact CE2-CE1 3.48Å; F311-F335 HydrophobicContact CE2-CE1 3.48Å; F311-F335 VanDerWaalsContact CE2-CE1 3.48Å; F311-F335 AromaticContact CE2-CZ 3.71Å; F311-F335 HydrophobicContact CE2-CZ 3.71Å; V315-F335 HydrophobicContact CG2-CE1 4.5Å; T330-F335 HydrophobicContact CG2-CB 3.82Å; T330-F335 HydrophobicContact CG2-CD2 3.82Å; T330-F335 HydrophobicContact CG2-CG 3.82Å; T330-F335 WeakPolarHBondContact OG1-CD2 3.42Å; T330-F335 WeakPolarHBondContact OG1-CE2 3.24Å; N332-F335 HydrophobicContact CB-CD2 3.96Å; N332-F335 HydrophobicContact CB-CE2 4.19Å; N332-F335 PolarHBondContact O-N 3.1Å; N332-F335 VanDerWaalsContact O-N 3.16Å; P333-F335 PolarHBondContact O-N 2.95Å; F335-K337 VanDerWaalsContact C-N 3.3Å; F335-K337 PolarHBondContact O-N 3.25Å; F335-L339 HydrophobicContact CB-CD1 4.17Å; F335-L339 HydrophobicContact CD1-CD1 3.63Å; F335-L339 HydrophobicContact CD1-CG 4.03Å; F335-L339 HydrophobicContact CG-CD1 4.34Å; F335-L339 VanDerWaalsContact O-CB 3.27Å; F335-L339 WeakPolarHBondContact O-CB 3.16Å; F335-L339 PolarHBondContact O-N 3.03Å |
| 336 | I | 80.2 | Confident | 86.2 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 176.1 | -61.9 | 176.7 | 0 | 0 | 0 | 111.3 | M273 P333 F334 M370 E373 | M273-I336 HydrophobicContact CE-CG1 4.43Å; M273-I336 HydrophobicContact SD-CG1 3.78Å; P333-I336 HydrophobicContact CB-CD1 4.26Å; P333-I336 WeakPolarHBondContact O-CB 3.38Å; P333-I336 WeakPolarHBondContact O-CG1 3.11Å; P333-I336 PolarHBondContact O-N 3.03Å; F334-I336 PolarHBondContact O-N 2.83Å; F334-I336 VanDerWaalsContact O-N 3.09Å; I336-M370 WeakPolarHBondContact CG2-O 3.33Å; I336-E373 HydrophobicContact CD1-CB 4.48Å; I336-E373 HydrophobicContact CD1-CG 3.8Å |
| 337 | K | 80.3 | Confident | 86 | Confident | 164 Ų | 164 | 34 Ų | 34 | 71% | 0.713 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -84.3 | -43.4 | 176 | -69.1 | -174.1 | 179 | -179 | 0 | 111 | F334 F335 L339 E340 | F334-K337 PolarHBondContact O-N 2.71Å; F334-K337 VanDerWaalsContact O-N 3.15Å; F335-K337 VanDerWaalsContact C-N 3.3Å; F335-K337 PolarHBondContact O-N 3.25Å; K337-L339 PolarHBondContact O-N 3.22Å; K337-E340 PolarHBondContact O-N 2.74Å |
| 338 | A | 79 | Confident | 85.4 | Confident | 24 Ų | 24 | 34.5 Ų | 34.5 | 20% | 0.198 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.6 | -31.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V315 F334 | V315-A338 HydrophobicContact CG1-CB 3.73Å; V315-A338 HydrophobicContact CG2-CB 4.28Å; F334-A338 HydrophobicContact CD1-CB 4.31Å; F334-A338 HydrophobicContact CE1-CB 4.06Å; F334-A338 PolarHBondContact O-N 3.24Å; F334-A338 VanDerWaalsContact O-N 3.15Å |
| 339 | L | 79.7 | Confident | 84.5 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 33.3 | -178.2 | -54.6 | 176.4 | 0 | 0 | 0 | 111.8 | V271 V315 F335 K337 N341 W342 | V271-L339 HydrophobicContact CB-CD1 4.42Å; V271-L339 HydrophobicContact CG1-CD1 3.98Å; V271-L339 HydrophobicContact CG2-CD1 3.64Å; V315-L339 HydrophobicContact CG2-CD2 3.85Å; F335-L339 HydrophobicContact CB-CD1 4.17Å; F335-L339 HydrophobicContact CD1-CD1 3.63Å; F335-L339 HydrophobicContact CD1-CG 4.03Å; F335-L339 HydrophobicContact CG-CD1 4.34Å; F335-L339 VanDerWaalsContact O-CB 3.27Å; F335-L339 WeakPolarHBondContact O-CB 3.16Å; F335-L339 PolarHBondContact O-N 3.03Å; K337-L339 PolarHBondContact O-N 3.22Å; L339-N341 PolarHBondContact O-N 3.13Å; L339-W342 HydrophobicContact CB-CB 4.16Å; L339-W342 HydrophobicContact CB-CE3 4.46Å; L339-W342 HydrophobicContact CD2-CE3 3.74Å; L339-W342 HydrophobicContact CD2-CZ3 3.92Å; L339-W342 VanDerWaalsContact O-CB 3.25Å; L339-W342 WeakPolarHBondContact O-CB 3.45Å; L339-W342 PolarHBondContact O-N 3.4Å; L339-W342 VanDerWaalsContact O-N 3.1Å |
| 340 | E | 77.1 | Confident | 83.4 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28.6 | -176.5 | 65.5 | 176.9 | -174.4 | 0 | 0 | 113.7 | K337 | K337-E340 PolarHBondContact O-N 2.74Š|
| 341 | N | 77.4 | Confident | 81.9 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 72% | 0.717 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 4.9 | -179.9 | -65.6 | -40.4 | 0 | 0 | 0 | 113.4 | L339 | L339-N341 PolarHBondContact O-N 3.13Š|
| 342 | W | 84 | Confident | 80.2 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | trans | -67.2 | 134.9 | -177.6 | -151.4 | -94.1 | 0 | 0 | 0 | 111.6 | P269 V271 F314 V326 L328 L339 H344 V345 | P269-W342 HydrophobicContact CB-CZ2 3.62Å; P269-W342 PolarHBondContact O-NE1 3.1Å; V271-W342 VanDerWaalsContact CG2-CD1 3.42Å; V271-W342 HydrophobicContact CG2-CD2 3.76Å; V271-W342 VanDerWaalsContact CG2-CE2 3.49Å; V271-W342 HydrophobicContact CG2-CG 3.69Å; V271-W342 HydrophobicContact CG2-CZ2 4.14Å; V271-W342 VanDerWaalsContact CG2-NE1 3.31Å; F314-W342 WeakPolarHBondContact O-CZ3 3.08Å; V326-W342 HydrophobicContact CG1-CH2 3.83Å; V326-W342 HydrophobicContact CG1-CZ2 3.73Å; L328-W342 HydrophobicContact CD1-CH2 4.32Å; L328-W342 HydrophobicContact CD1-CZ2 4.36Å; L339-W342 HydrophobicContact CB-CB 4.16Å; L339-W342 HydrophobicContact CB-CE3 4.46Å; L339-W342 HydrophobicContact CD2-CE3 3.74Å; L339-W342 HydrophobicContact CD2-CZ3 3.92Å; L339-W342 VanDerWaalsContact O-CB 3.25Å; L339-W342 WeakPolarHBondContact O-CB 3.45Å; L339-W342 PolarHBondContact O-N 3.4Å; L339-W342 VanDerWaalsContact O-N 3.1Å; W342-H344 PolarHBondContact O-N 2.87Å; W342-V345 HydrophobicContact CB-CG2 4.1Å | ||
| 343 | P | 87.8 | Confident | 78.1 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -72.2 | -32.1 | -169 | 26.4 | -34.3 | 0 | 0 | 0 | 113.4 | P269 | P269-P343 HydrophobicContact CG-CG 3.6Š|
| 344 | H | 91.3 | Very high | 76.4 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 117.1 | -177.3 | -50.3 | -37.1 | 0 | 0 | 0 | 112.1 | L263 E268 P269 I270 V271 W342 F379 S380 | L263-H344 HydrophobicContact CD1-CB 4.32Å; L263-H344 WeakPolarHBondContact CD2-NE2 3.4Å; E268-H344 IonicContact OE2-NE2 3.53Å; P269-H344 WeakPolarHBondContact O-CB 3.37Å; P269-H344 PolarHBondContact O-CD2 3.34Å; I270-H344 WeakPolarHBondContact CA-O 3.5Å; I270-H344 HydrophobicContact CG1-CB 4.08Å; V271-H344 PolarHBondContact N-O 2.71Å; W342-H344 PolarHBondContact O-N 2.87Å; H344-F379 WeakPolarHBondContact CA-O 3.43Å; H344-S380 PolarHBondContact CE1-OG 3.5Å; H344-S380 VanDerWaalsContact CE1-OG 3.28Å; H344-S380 WeakPolarHBondContact ND1-CB 3.2Å; H344-S380 PolarHBondContact ND1-OG 3.48Å |
| 345 | V | 90.3 | Very high | 74.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.9 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | V271 M273 W342 M370 L378 F379 | V271-V345 HydrophobicContact CB-CG2 4.28Å; V271-V345 CarbonylContact O-C 3.59Å; V271-V345 WeakPolarHBondContact O-CA 3.48Å; M273-V345 HydrophobicContact CE-CG1 4.19Å; M273-V345 HydrophobicContact CG-CG1 4.22Å; M273-V345 HydrophobicContact SD-CG1 3.87Å; W342-V345 HydrophobicContact CB-CG2 4.1Å; V345-M370 HydrophobicContact CB-CE 3.86Å; V345-M370 HydrophobicContact CB-SD 4.28Å; V345-M370 HydrophobicContact CG1-CE 4.42Å; V345-M370 HydrophobicContact CG2-CE 3.21Å; V345-M370 HydrophobicContact CG2-SD 4.09Å; V345-L378 WeakPolarHBondContact O-CA 3.44Å; V345-F379 HydrophobicContact CB-CB 4.35Å; V345-F379 PolarHBondContact N-O 2.82Å; V345-F379 PolarHBondContact O-N 3.4Å |
| 346 | L | 90 | Very high | 72.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 99.1 | 173.6 | -177.5 | 63.4 | 0 | 0 | 0 | 108.9 | Y253 V271 V272 M273 I283 L348 L378 | Y253-L346 HydrophobicContact CD1-CD1 3.54Å; Y253-L346 HydrophobicContact CD2-CD1 4.21Å; Y253-L346 HydrophobicContact CE1-CD1 3.57Å; Y253-L346 HydrophobicContact CE2-CD1 4.24Å; Y253-L346 HydrophobicContact CG-CD1 3.88Å; V271-L346 PolarHBondContact O-N 3.33Å; V272-L346 WeakPolarHBondContact CA-O 3.25Å; V272-L346 HydrophobicContact CG1-CD2 4.47Å; V272-L346 HydrophobicContact CG2-CB 4.4Å; V272-L346 HydrophobicContact CG2-CD2 4.32Å; M273-L346 PolarHBondContact N-O 2.91Å; I283-L346 HydrophobicContact CG2-CD2 3.84Å; L346-L348 HydrophobicContact CG-CD2 4.21Å; L346-L378 HydrophobicContact CB-CD1 4.47Å; L346-L378 HydrophobicContact CD1-CB 4.26Å; L346-L378 HydrophobicContact CD1-CD1 4.47Å |
| 347 | R | 87.3 | Confident | 71.6 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.1 | -179.9 | -171.6 | 169.5 | -64 | 155.5 | 1.2 | 112 | Y253 M273 M370 N372 K375 G377 F379 | Y253-R347 PolarHBondContact OH-O 3.09Å; Y253-R347 VanDerWaalsContact OH-O 3.05Å; M273-R347 HydrophobicContact CB-CG 4.39Å; R347-M370 VanDerWaalsContact CZ-O 3.23Å; R347-M370 PolarHBondContact NH1-O 2.92Å; R347-M370 PolarHBondContact NH2-O 2.84Å; R347-N372 PolarHBondContact NH1-O 2.88Å; R347-K375 WeakPolarHBondContact CD-O 3.41Å; R347-G377 PolarHBondContact N-O 3.28Å; R347-G377 PolarHBondContact O-N 3.06Å; R347-F379 HydrophobicContact CB-CE2 4.14Å |
| 348 | L | 83.3 | Confident | 70.5 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 151.2 | -178 | -46.5 | 179.9 | 0 | 0 | 0 | 112.5 | Y253 V272 M273 V279 V280 I283 L346 | Y253-L348 HydrophobicContact CE2-CD2 3.5Å; Y253-L348 WeakPolarHBondContact OH-CA 3.39Å; Y253-L348 WeakPolarHBondContact OH-CD2 3.22Å; V272-L348 HydrophobicContact CG1-CD1 4.18Å; V272-L348 HydrophobicContact CG1-CG 4.38Å; M273-L348 WeakPolarHBondContact O-CB 3.45Å; M273-L348 WeakPolarHBondContact O-CG 3.33Å; M273-L348 PolarHBondContact O-N 2.97Å; V279-L348 HydrophobicContact CG1-CD1 3.61Å; V280-L348 HydrophobicContact CG1-CD1 4.18Å; I283-L348 HydrophobicContact CD1-CD1 3.4Å; I283-L348 VanDerWaalsContact CD1-CD1 3.4Å; I283-L348 HydrophobicContact CD1-CD2 3.57Å; I283-L348 HydrophobicContact CD1-CG 4.14Å; L346-L348 HydrophobicContact CG-CD2 4.21Å |
| 349 | P | 75 | Confident | 69.4 | Low | 31 Ų | 31 | 75.3 Ų | 75.3 | 20% | 0.201 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 138.9 | 173.2 | 27.9 | -34.1 | 0 | 0 | 0 | 112 | Y253 I376 | Y253-P349 WeakPolarHBondContact OH-CD 3.36Å; P349-I376 HydrophobicContact CB-CD1 4.32Å; P349-I376 HydrophobicContact CB-CG2 4.39Å |
| 350 | K | 69.8 | Low | 68.4 | Low | 122 Ų | 122 | 81.9 Ų | 81.9 | 53% | 0.53 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -68.2 | -37.5 | 172.5 | -65.8 | -175.2 | -178.5 | 178.5 | 0 | 111.9 | E373 | K350-E373 IonicContact NZ-OE2 3.57Å; K350-E373 PolarHBondContact NZ-OE2 3.35Å |
| 351 | D | 61.9 | Low | 68.1 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | trans | -111.1 | 128.8 | -178.7 | -76.5 | -37.4 | 0 | 0 | 0 | 113.7 | K353 | D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 2.9Å | ||
| 352 | S | 53.1 | Low | 68.2 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 18% | 0.175 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.8 | 176 | -14.6 | 0 | 0 | 0 | 0 | 113.7 | F245 Q246 F247 K354 | F245-S352 WeakPolarHBondContact CD1-OG 2.98Å; Q246-S352 WeakPolarHBondContact O-CB 3.42Å; F247-S352 VanDerWaalsContact CZ-OG 3.27Å; F247-S352 WeakPolarHBondContact CZ-OG 2.93Å; S352-K354 PolarHBondContact O-N 3.02Å; S352-K354 VanDerWaalsContact O-N 3.17Å |
| 353 | K | 43.9 | Very low | 68.3 | Low | 200 Ų | 200 | 80.7 Ų | 80.7 | 87% | 0.87 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.5 | -175.3 | -69.8 | -174.7 | -179 | 177.6 | 0 | 113.6 | D351 K355 | D351-K353 VanDerWaalsContact C-N 3.28Å; D351-K353 PolarHBondContact O-N 2.9Å; K353-K355 PolarHBondContact O-N 3.21Å |
| 354 | K | 44.2 | Very low | 68.2 | Low | 177 Ų | 177 | 82.3 Ų | 82.3 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | trans | -81.1 | 62.9 | 175.2 | -70.5 | -179.4 | -179.9 | 170.9 | 0 | 110.9 | S352 T356 | S352-K354 PolarHBondContact O-N 3.02Å; S352-K354 VanDerWaalsContact O-N 3.17Å; K354-T356 PolarHBondContact O-N 3.34Å | ||
| 355 | K | 46.3 | Very low | 68 | Low | 156 Ų | 156 | 89.7 Ų | 89.7 | 68% | 0.678 | 41% | 0.413 | S | S | * | . | trans | -64 | 23.5 | 178.8 | -81.7 | -166.3 | 174 | -172.6 | 0 | 116 | K353 F357 | K353-K355 PolarHBondContact O-N 3.21Å; K355-F357 PolarHBondContact O-N 3.01Å; K355-F357 VanDerWaalsContact O-N 3.12Å | ||
| 356 | T | 48.9 | Very low | 67.5 | Low | 103 Ų | 103 | 94 Ų | 94 | 63% | 0.632 | 44% | 0.436 | S | S | * | . | trans | -88.5 | 90.2 | -179.4 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | K354 K358 | K354-T356 PolarHBondContact O-N 3.34Å; T356-K358 PolarHBondContact O-N 3.3Å | ||
| 357 | F | 52.4 | Low | 67 | Low | 59 Ų | 59 | 95.3 Ų | 95.3 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | trans | -48.2 | 103.9 | 158.4 | 170.3 | -105.1 | 0 | 0 | 0 | 108.8 | S251 L254 K355 R359 V393 A397 | S251-F357 WeakPolarHBondContact O-CD2 3.04Å; L254-F357 HydrophobicContact CB-CE2 4.2Å; L254-F357 HydrophobicContact CD1-CE2 3.85Å; L254-F357 HydrophobicContact CD1-CZ 4.47Å; L254-F357 HydrophobicContact CG-CE2 4.33Å; K355-F357 PolarHBondContact O-N 3.01Å; K355-F357 VanDerWaalsContact O-N 3.12Å; F357-R359 HydrophobicContact CD1-CB 4.32Å; F357-R359 HydrophobicContact CE1-CB 3.68Å; F357-R359 HydrophobicContact CE1-CG 3.75Å; F357-R359 HydrophobicContact CZ-CB 4.25Å; F357-R359 HydrophobicContact CZ-CG 4.14Å; F357-R359 PolarHBondContact O-N 3.24Å; F357-V393 HydrophobicContact CZ-CG1 4.16Å; F357-A397 HydrophobicContact CE1-CB 3.86Å; F357-A397 HydrophobicContact CZ-CB 4.17Å | ||
| 358 | K | 58 | Low | 66.3 | Low | 146 Ų | 146 | 98.2 Ų | 98.2 | 64% | 0.635 | 47% | 0.469 | S | S | * | . | trans | -88.6 | 93.2 | 175.3 | -74 | -173.4 | -178.9 | -177.9 | 0 | 108 | T356 N360 S361 | T356-K358 PolarHBondContact O-N 3.3Å; K358-N360 PolarHBondContact O-N 3.49Å; K358-S361 PolarHBondContact O-N 3.25Å | ||
| 359 | R | 55.8 | Low | 65.9 | Low | 124 Ų | 124 | 100.4 Ų | 100.4 | 47% | 0.468 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -28 | 177.1 | -157 | 175.5 | -166 | 174.4 | 7.3 | 113.6 | P255 F357 V393 | P255-R359 WeakPolarHBondContact CG-O 3.35Å; F357-R359 HydrophobicContact CD1-CB 4.32Å; F357-R359 HydrophobicContact CE1-CB 3.68Å; F357-R359 HydrophobicContact CE1-CG 3.75Å; F357-R359 HydrophobicContact CZ-CB 4.25Å; F357-R359 HydrophobicContact CZ-CG 4.14Å; F357-R359 PolarHBondContact O-N 3.24Å; R359-V393 HydrophobicContact CG-CG1 4.47Å |
| 360 | N | 57.9 | Low | 65.8 | Low | 144 Ų | 144 | 99 Ų | 99 | 77% | 0.77 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 32.5 | -178.1 | -65.1 | -11.9 | 0 | 0 | 0 | 113.8 | K358 K362 | K358-N360 PolarHBondContact O-N 3.49Å; N360-K362 PolarHBondContact O-N 2.84Å; N360-K362 VanDerWaalsContact O-N 3.16Å |
| 361 | S | 72.5 | Confident | 65.9 | Low | 25 Ų | 25 | 97.3 Ų | 97.3 | 18% | 0.175 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 121.4 | 173 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | P255 H256 K358 | P255-S361 WeakPolarHBondContact CG-OG 3.36Å; H256-S361 PolarHBondContact CE1-O 2.87Å; H256-S361 PolarHBondContact NE2-OG 3.49Å; K358-S361 PolarHBondContact O-N 3.25Å |
| 362 | K | 79.4 | Confident | 66.4 | Low | 181 Ų | 181 | 95.5 Ų | 95.5 | 79% | 0.787 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -91.3 | 143 | 176.4 | -69.4 | -174.4 | -180 | 179.4 | 0 | 109.4 | N360 R364 | N360-K362 PolarHBondContact O-N 2.84Å; N360-K362 VanDerWaalsContact O-N 3.16Å; K362-R364 PolarHBondContact O-N 3.32Å |
| 363 | V | 85.6 | Confident | 67.3 | Low | 29 Ų | 29 | 98.6 Ų | 98.6 | 18% | 0.176 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 131.2 | 171 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | H256 L259 R365 L378 | H256-V363 WeakPolarHBondContact ND1-CG2 3.47Å; L259-V363 HydrophobicContact CD2-CG1 4.46Å; L259-V363 HydrophobicContact CD2-CG2 3.72Å; V363-R365 PolarHBondContact O-N 3.47Å; V363-L378 HydrophobicContact CG1-CG 4.42Å; V363-L378 HydrophobicContact CG2-CD2 4.32Å |
| 364 | R | 86.2 | Confident | 68.6 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 107.3 | 178.9 | -66.6 | 179.8 | 179.3 | -98.2 | 5.7 | 108.9 | K362 I376 L378 F379 S380 | K362-R364 PolarHBondContact O-N 3.32Å; R364-I376 PolarHBondContact NE-O 3.37Å; R364-I376 PolarHBondContact NH2-O 3.19Å; R364-L378 PolarHBondContact N-O 2.67Å; R364-F379 HydrophobicContact CB-CD1 3.63Å; R364-F379 HydrophobicContact CB-CE1 4Å; R364-F379 HydrophobicContact CB-CG 4.11Å; R364-F379 HydrophobicContact CG-CD1 4.38Å; R364-F379 HydrophobicContact CG-CE1 4.3Å; R364-F379 VanDerWaalsContact O-CA 3.31Å; R364-F379 WeakPolarHBondContact O-CA 3.3Å; R364-S380 PolarHBondContact O-N 3.46Å |
| 365 | R | 85.4 | Confident | 70.2 | Confident | 159 Ų | 159 | 91.7 Ų | 91.7 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | trans | -83.9 | -20.1 | -178.3 | -64.3 | -170.7 | 177.7 | 154.9 | -1.2 | 114.6 | V363 L367 S380 K381 | V363-R365 PolarHBondContact O-N 3.47Å; R365-L367 PolarHBondContact O-N 2.94Å; R365-S380 WeakPolarHBondContact CA-O 3.44Å; R365-K381 WeakPolarHBondContact O-CG 3.39Å | ||
| 366 | N | 81.3 | Confident | 71.9 | Confident | 91 Ų | 91 | 87.9 Ų | 87.9 | 49% | 0.487 | 43% | 0.431 | S | S | . | . | trans | -86.2 | 95.9 | 176.6 | -173.9 | -7.6 | 0 | 0 | 0 | 109.7 | A368 Q369 | N366-A368 PolarHBondContact O-N 2.79Å; N366-A368 WeakPolarHBondContact OD1-CB 3.41Å; N366-A368 PolarHBondContact OD1-N 2.86Å; N366-Q369 HydrophobicContact CB-CG 4.1Å; N366-Q369 VanDerWaalsContact O-CB 3.3Å; N366-Q369 WeakPolarHBondContact O-CB 3.34Å; N366-Q369 WeakPolarHBondContact O-CG 3.49Å; N366-Q369 PolarHBondContact O-N 2.9Å | ||
| 367 | L | 77.9 | Confident | 73.7 | Confident | 26 Ų | 26 | 83.6 Ų | 83.6 | 14% | 0.136 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -64.7 | -24.2 | -179.6 | -61 | 175.6 | 0 | 0 | 0 | 112.9 | R365 Q369 M370 F379 K381 | R365-L367 PolarHBondContact O-N 2.94Å; L367-Q369 PolarHBondContact O-N 3.45Å; L367-M370 HydrophobicContact CB-SD 3.94Å; L367-M370 HydrophobicContact CD2-SD 3.58Å; L367-M370 VanDerWaalsContact CD2-SD 3.58Å; L367-M370 HydrophobicContact CG-SD 4.3Å; L367-M370 WeakPolarHBondContact O-CB 3.24Å; L367-M370 WeakPolarHBondContact O-CG 3.43Å; L367-M370 PolarHBondContact O-N 3.38Å; L367-F379 HydrophobicContact CD2-CB 4.07Å; L367-K381 HydrophobicContact CD1-CD 3.76Å; L367-K381 HydrophobicContact CD1-CG 3.91Å; L367-K381 HydrophobicContact CG-CD 4.23Å; L367-K381 HydrophobicContact CG-CG 4.01Å |
| 368 | A | 73.7 | Confident | 75.4 | Confident | 73 Ų | 73 | 80.8 Ų | 80.8 | 60% | 0.603 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.8 | -17.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N366 M370 T371 | N366-A368 PolarHBondContact O-N 2.79Å; N366-A368 WeakPolarHBondContact OD1-CB 3.41Å; N366-A368 PolarHBondContact OD1-N 2.86Å; A368-M370 PolarHBondContact O-N 2.92Å; A368-T371 PolarHBondContact O-OG1 3.21Å; A368-T371 VanDerWaalsContact O-OG1 3.08Å |
| 369 | Q | 74.8 | Confident | 76.9 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -74.3 | -11 | 173.2 | -61.8 | -167.7 | -4.2 | 0 | 0 | 113.9 | N366 L367 T371 N372 K375 F379 | N366-Q369 HydrophobicContact CB-CG 4.1Å; N366-Q369 VanDerWaalsContact O-CB 3.3Å; N366-Q369 WeakPolarHBondContact O-CB 3.34Å; N366-Q369 WeakPolarHBondContact O-CG 3.49Å; N366-Q369 PolarHBondContact O-N 2.9Å; L367-Q369 PolarHBondContact O-N 3.45Å; Q369-T371 VanDerWaalsContact C-N 3.27Å; Q369-T371 PolarHBondContact O-N 2.76Å; Q369-N372 PolarHBondContact O-N 3.43Å; Q369-K375 HydrophobicContact CB-CD 3.75Å; Q369-K375 VanDerWaalsContact CD-NZ 3.26Å; Q369-K375 HydrophobicContact CG-CD 4.33Å; Q369-F379 HydrophobicContact CB-CE1 3.93Å |
| 370 | M | 71.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -66.6 | -28.7 | -179.7 | -71.4 | 170.9 | 44.3 | 0 | 0 | 112.4 | I336 V345 R347 L367 A368 N372 F379 | I336-M370 WeakPolarHBondContact CG2-O 3.33Å; V345-M370 HydrophobicContact CB-CE 3.86Å; V345-M370 HydrophobicContact CB-SD 4.28Å; V345-M370 HydrophobicContact CG1-CE 4.42Å; V345-M370 HydrophobicContact CG2-CE 3.21Å; V345-M370 HydrophobicContact CG2-SD 4.09Å; R347-M370 VanDerWaalsContact CZ-O 3.23Å; R347-M370 PolarHBondContact NH1-O 2.92Å; R347-M370 PolarHBondContact NH2-O 2.84Å; L367-M370 HydrophobicContact CB-SD 3.94Å; L367-M370 HydrophobicContact CD2-SD 3.58Å; L367-M370 VanDerWaalsContact CD2-SD 3.58Å; L367-M370 HydrophobicContact CG-SD 4.3Å; L367-M370 WeakPolarHBondContact O-CB 3.24Å; L367-M370 WeakPolarHBondContact O-CG 3.43Å; L367-M370 PolarHBondContact O-N 3.38Å; A368-M370 PolarHBondContact O-N 2.92Å; M370-N372 PolarHBondContact O-N 3.03Å; M370-F379 HydrophobicContact CG-CB 3.88Å; M370-F379 HydrophobicContact CG-CD1 3.48Å; M370-F379 VanDerWaalsContact CG-CD1 3.48Å; M370-F379 HydrophobicContact CG-CD2 4.28Å; M370-F379 HydrophobicContact CG-CE1 3.97Å; M370-F379 HydrophobicContact CG-CG 3.64Å; M370-F379 HydrophobicContact SD-CB 3.92Å; M370-F379 HydrophobicContact SD-CG 4.35Å |
| 371 | T | 72 | Confident | 80.1 | Confident | 86 Ų | 86 | 67.9 Ų | 67.9 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -65.5 | -19 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | A368 Q369 E373 | A368-T371 PolarHBondContact O-OG1 3.21Å; A368-T371 VanDerWaalsContact O-OG1 3.08Å; Q369-T371 VanDerWaalsContact C-N 3.27Å; Q369-T371 PolarHBondContact O-N 2.76Å; T371-E373 PolarHBondContact O-N 2.76Å |
| 372 | N | 74.1 | Confident | 81 | Confident | 65 Ų | 65 | 69 Ų | 69 | 35% | 0.348 | 34% | 0.336 | S | S | . | . | trans | -85.3 | 109.7 | 176.2 | -176.8 | -34.3 | 0 | 0 | 0 | 110.7 | R347 Q369 M370 E374 K375 | R347-N372 PolarHBondContact NH1-O 2.88Å; Q369-N372 PolarHBondContact O-N 3.43Å; M370-N372 PolarHBondContact O-N 3.03Å; N372-E374 PolarHBondContact O-N 2.96Å; N372-E374 WeakPolarHBondContact OD1-CB 3.19Å; N372-E374 PolarHBondContact OD1-N 3.16Å; N372-K375 HydrophobicContact CB-CD 4.08Å; N372-K375 HydrophobicContact CB-CG 4.13Å; N372-K375 PolarHBondContact O-N 2.74Å | ||
| 373 | E | 70.3 | Confident | 81.5 | Confident | 90 Ų | 90 | 68 Ų | 68 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.1 | -178.4 | -64.9 | -160.3 | -176.1 | 0 | 0 | 114.6 | I336 K350 T371 K375 | I336-E373 HydrophobicContact CD1-CB 4.48Å; I336-E373 HydrophobicContact CD1-CG 3.8Å; K350-E373 IonicContact NZ-OE2 3.57Å; K350-E373 PolarHBondContact NZ-OE2 3.35Å; T371-E373 PolarHBondContact O-N 2.76Å; E373-K375 VanDerWaalsContact C-N 3.28Å; E373-K375 PolarHBondContact O-N 2.84Å |
| 374 | E | 72.4 | Confident | 81.6 | Confident | 175 Ų | 175 | 68.2 Ų | 68.2 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.2 | -176.3 | -58.9 | -169.7 | 153.4 | 0 | 0 | 113 | N372 I376 | N372-E374 PolarHBondContact O-N 2.96Å; N372-E374 WeakPolarHBondContact OD1-CB 3.19Å; N372-E374 PolarHBondContact OD1-N 3.16Å; E374-I376 PolarHBondContact O-N 2.83Å |
| 375 | K | 78.2 | Confident | 81.9 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | trans | -81.9 | 105.2 | -175.9 | -70.2 | -173.1 | 178.3 | 178.4 | 0 | 111.3 | R347 Q369 N372 E373 F379 | R347-K375 WeakPolarHBondContact CD-O 3.41Å; Q369-K375 HydrophobicContact CB-CD 3.75Å; Q369-K375 VanDerWaalsContact CD-NZ 3.26Å; Q369-K375 HydrophobicContact CG-CD 4.33Å; N372-K375 HydrophobicContact CB-CD 4.08Å; N372-K375 HydrophobicContact CB-CG 4.13Å; N372-K375 PolarHBondContact O-N 2.74Å; E373-K375 VanDerWaalsContact C-N 3.28Å; E373-K375 PolarHBondContact O-N 2.84Å; K375-F379 HydrophobicContact CB-CZ 3.85Å; K375-F379 WeakPolarHBondContact O-CE2 3.38Å; K375-F379 VanDerWaalsContact O-CZ 3.29Å; K375-F379 WeakPolarHBondContact O-CZ 3.39Å | ||
| 376 | I | 81.5 | Confident | 82.1 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | trans | -89.5 | 158.8 | 174.2 | 59.7 | 164.5 | 0 | 0 | 0 | 112.7 | P349 R364 E374 | P349-I376 HydrophobicContact CB-CD1 4.32Å; P349-I376 HydrophobicContact CB-CG2 4.39Å; R364-I376 PolarHBondContact NE-O 3.37Å; R364-I376 PolarHBondContact NH2-O 3.19Å; E374-I376 PolarHBondContact O-N 2.83Å | ||
| 377 | G | 85.8 | Confident | 82.2 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128 | -174.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R347 F379 | R347-G377 PolarHBondContact N-O 3.28Å; R347-G377 PolarHBondContact O-N 3.06Å; G377-F379 WeakPolarHBondContact O-CD2 3.4Å |
| 378 | L | 89.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.2 | 170.2 | 179.4 | 61.2 | 0 | 0 | 0 | 110.1 | H256 L259 L260 V345 L346 V363 R364 | H256-L378 HydrophobicContact CB-CD2 3.87Å; L259-L378 HydrophobicContact CD2-CD2 3.78Å; L259-L378 HydrophobicContact CG-CD2 4.46Å; L260-L378 HydrophobicContact CD2-CD1 4.19Å; L260-L378 HydrophobicContact CD2-CD2 4.21Å; L260-L378 HydrophobicContact CG-CD2 4.39Å; V345-L378 WeakPolarHBondContact O-CA 3.44Å; L346-L378 HydrophobicContact CB-CD1 4.47Å; L346-L378 HydrophobicContact CD1-CB 4.26Å; L346-L378 HydrophobicContact CD1-CD1 4.47Å; V363-L378 HydrophobicContact CG1-CG 4.42Å; V363-L378 HydrophobicContact CG2-CD2 4.32Å; R364-L378 PolarHBondContact N-O 2.67Å |
| 379 | F | 89.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.8 | 174.1 | -62.5 | -101.7 | 0 | 0 | 0 | 109.1 | H344 V345 R347 R364 L367 Q369 M370 K375 G377 | H344-F379 WeakPolarHBondContact CA-O 3.43Å; V345-F379 HydrophobicContact CB-CB 4.35Å; V345-F379 PolarHBondContact N-O 2.82Å; V345-F379 PolarHBondContact O-N 3.4Å; R347-F379 HydrophobicContact CB-CE2 4.14Å; R364-F379 HydrophobicContact CB-CD1 3.63Å; R364-F379 HydrophobicContact CB-CE1 4Å; R364-F379 HydrophobicContact CB-CG 4.11Å; R364-F379 HydrophobicContact CG-CD1 4.38Å; R364-F379 HydrophobicContact CG-CE1 4.3Å; R364-F379 VanDerWaalsContact O-CA 3.31Å; R364-F379 WeakPolarHBondContact O-CA 3.3Å; L367-F379 HydrophobicContact CD2-CB 4.07Å; Q369-F379 HydrophobicContact CB-CE1 3.93Å; M370-F379 HydrophobicContact CG-CB 3.88Å; M370-F379 HydrophobicContact CG-CD1 3.48Å; M370-F379 VanDerWaalsContact CG-CD1 3.48Å; M370-F379 HydrophobicContact CG-CD2 4.28Å; M370-F379 HydrophobicContact CG-CE1 3.97Å; M370-F379 HydrophobicContact CG-CG 3.64Å; M370-F379 HydrophobicContact SD-CB 3.92Å; M370-F379 HydrophobicContact SD-CG 4.35Å; K375-F379 HydrophobicContact CB-CZ 3.85Å; K375-F379 WeakPolarHBondContact O-CE2 3.38Å; K375-F379 VanDerWaalsContact O-CZ 3.29Å; K375-F379 WeakPolarHBondContact O-CZ 3.39Å; G377-F379 WeakPolarHBondContact O-CD2 3.4Å |
| 380 | S | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 138.6 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | H344 R364 R365 Y382 | H344-S380 PolarHBondContact CE1-OG 3.5Å; H344-S380 VanDerWaalsContact CE1-OG 3.28Å; H344-S380 WeakPolarHBondContact ND1-CB 3.2Å; H344-S380 PolarHBondContact ND1-OG 3.48Å; R364-S380 PolarHBondContact O-N 3.46Å; R365-S380 WeakPolarHBondContact CA-O 3.44Å; S380-Y382 WeakPolarHBondContact OG-CB 3.45Å; S380-Y382 PolarHBondContact OG-N 3.39Å |
| 381 | K | 89.2 | Confident | 82.7 | Confident | 142 Ų | 142 | 64.8 Ų | 64.8 | 62% | 0.617 | 34% | 0.337 | S | S | * | . | trans | -85.3 | -13 | 168.2 | -72.6 | 176.5 | -178.9 | 173.4 | 0 | 112.7 | R365 L367 | R365-K381 WeakPolarHBondContact O-CG 3.39Å; L367-K381 HydrophobicContact CD1-CD 3.76Å; L367-K381 HydrophobicContact CD1-CG 3.91Å; L367-K381 HydrophobicContact CG-CD 4.23Å; L367-K381 HydrophobicContact CG-CG 4.01Å | ||
| 382 | Y | 91 | Very high | 83.3 | Confident | 50 Ų | 50 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -61.9 | 135.9 | -176.2 | -173.2 | -100.7 | 0 | 0 | 0 | 111.3 | L259 E262 L263 L266 S380 F385 | L259-Y382 HydrophobicContact CD1-CD1 3.81Å; L259-Y382 HydrophobicContact CD1-CE1 4.2Å; E262-Y382 VanDerWaalsContact OE1-CE1 3.24Å; E262-Y382 WeakPolarHBondContact OE1-CE1 2.96Å; E262-Y382 PolarHBondContact OE1-OH 2.98Å; E262-Y382 VanDerWaalsContact OE1-OH 3.11Å; L263-Y382 HydrophobicContact CD2-CD1 3.58Å; L263-Y382 HydrophobicContact CD2-CD2 4.42Å; L263-Y382 HydrophobicContact CD2-CE1 3.82Å; L263-Y382 HydrophobicContact CD2-CG 3.91Å; L266-Y382 WeakPolarHBondContact CD1-OH 3.31Å; S380-Y382 WeakPolarHBondContact OG-CB 3.45Å; S380-Y382 PolarHBondContact OG-N 3.39Å; Y382-F385 WeakPolarHBondContact OH-CD2 3.32Å; Y382-F385 VanDerWaalsContact OH-CE2 3.29Å; Y382-F385 WeakPolarHBondContact OH-CE2 3.45Å | ||
| 383 | K | 89.1 | Confident | 83.7 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 70% | 0.696 | 30% | 0.3 | S | S | * | . | trans | -106.3 | 106.3 | 174.4 | -68.6 | -180 | -177.3 | 173.7 | 0 | 106.5 | ||||
| 384 | G | 89.5 | Confident | 84.3 | Confident | 32 Ų | 32 | 60 Ų | 60 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | trans | -62.5 | 145.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E262 L386 | E262-G384 WeakPolarHBondContact OE1-CA 3.47Å; G384-L386 VanDerWaalsContact C-N 3.29Å | ||
| 385 | F | 92 | Very high | 85 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 26% | 0.263 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -63.4 | -38.6 | 171.2 | -68.7 | -76.6 | 0 | 0 | 0 | 110.8 | E262 L266 Y382 G458 D459 G462 L463 A466 | E262-F385 WeakPolarHBondContact OE1-CD2 3.38Å; E262-F385 PolarHBondContact OE1-N 2.85Å; E262-F385 PolarHBondContact OE2-N 2.99Å; L266-F385 HydrophobicContact CD1-CD2 4.48Å; L266-F385 HydrophobicContact CD1-CE2 4.2Å; Y382-F385 WeakPolarHBondContact OH-CD2 3.32Å; Y382-F385 VanDerWaalsContact OH-CE2 3.29Å; Y382-F385 WeakPolarHBondContact OH-CE2 3.45Å; F385-G458 CarbonylContact O-C 3.58Å; F385-G458 VanDerWaalsContact O-CA 3.24Å; F385-G458 WeakPolarHBondContact O-CA 3.46Å; F385-D459 WeakPolarHBondContact CB-O 3.44Å; F385-D459 HydrophobicContact CD1-CB 4.16Å; F385-D459 PolarHBondContact O-N 2.81Å; F385-G462 VanDerWaalsContact CE1-C 3.48Å; F385-L463 HydrophobicContact CB-CB 4Å; F385-L463 HydrophobicContact CD2-CB 4.2Å; F385-L463 HydrophobicContact CD2-CD1 3.94Å; F385-L463 HydrophobicContact CG-CB 4.1Å; F385-A466 HydrophobicContact CE2-CB 4.02Å; F385-A466 HydrophobicContact CZ-CB 4.22Å |
| 386 | L | 88.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 9% | 0.089 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -96 | 143.5 | -177.9 | -57 | -172.6 | 0 | 0 | 0 | 113.3 | W261 E262 G384 V456 W460 L463 | W261-L386 HydrophobicContact CE3-CD1 4.45Å; W261-L386 HydrophobicContact CH2-CD1 4.45Å; W261-L386 HydrophobicContact CZ3-CD1 3.69Å; E262-L386 PolarHBondContact OE2-N 3.37Å; G384-L386 VanDerWaalsContact C-N 3.29Å; L386-V456 HydrophobicContact CB-CG1 3.91Å; L386-V456 HydrophobicContact CD1-CG1 4.16Å; L386-V456 HydrophobicContact CG-CG1 4.48Å; L386-W460 HydrophobicContact CD1-CE3 4.42Å; L386-W460 HydrophobicContact CD1-CH2 3.96Å; L386-W460 HydrophobicContact CD1-CZ2 4.1Å; L386-W460 HydrophobicContact CD1-CZ3 4.11Å; L386-W460 HydrophobicContact CD2-CD2 3.71Å; L386-W460 HydrophobicContact CD2-CE3 4.21Å; L386-W460 HydrophobicContact CD2-CG 3.95Å; L386-W460 HydrophobicContact CD2-CZ2 4.19Å; L386-L463 HydrophobicContact CD1-CD2 3.82Å; L386-L463 HydrophobicContact CD2-CD2 4.39Å; L386-L463 HydrophobicContact CG-CD2 4Å |
| 387 | A | 83.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 159.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G389 V456 K457 | A387-G389 PolarHBondContact O-N 2.95Å; A387-V456 WeakPolarHBondContact O-CG1 3.38Å; A387-K457 WeakPolarHBondContact CA-O 3.25Å; A387-K457 WeakPolarHBondContact CB-O 3.16Å; A387-K457 PolarHBondContact N-O 2.97Å |
| 388 | K | 76.5 | Confident | 85.2 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 128.6 | 177.7 | -60 | -175.9 | 179.6 | -172 | 0 | 111.3 | N390 | K388-N390 PolarHBondContact O-N 3.29Š|
| 389 | G | 73 | Confident | 84.9 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | trans | -72 | 82.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H258 A387 S391 L392 V393 | H258-G389 VanDerWaalsContact CE1-CA 3.48Å; H258-G389 WeakPolarHBondContact CE1-CA 3.39Å; A387-G389 PolarHBondContact O-N 2.95Å; G389-S391 PolarHBondContact O-N 3.48Å; G389-L392 PolarHBondContact O-N 3.41Å; G389-V393 PolarHBondContact O-N 2.92Å | ||
| 390 | N | 76.2 | Confident | 84.2 | Confident | 103 Ų | 103 | 61.2 Ų | 61.2 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.3 | -28.1 | -179.5 | -73.7 | -34.7 | 0 | 0 | 0 | 113.4 | K388 K394 | K388-N390 PolarHBondContact O-N 3.29Å; N390-K394 WeakPolarHBondContact O-CB 3.33Å; N390-K394 WeakPolarHBondContact O-CG 3.41Å; N390-K394 PolarHBondContact O-N 3.46Å |
| 391 | S | 83.2 | Confident | 83.5 | Confident | 75 Ų | 75 | 68 Ų | 68 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -50.3 | 178.5 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | G389 K394 R395 | G389-S391 PolarHBondContact O-N 3.48Å; S391-K394 PolarHBondContact O-N 2.94Å; S391-R395 WeakPolarHBondContact O-CB 3.26Å; S391-R395 PolarHBondContact O-N 2.99Å |
| 392 | L | 84.3 | Confident | 83.3 | Confident | 7 Ų | 7 | 69.3 Ų | 69.3 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 177.7 | 179.7 | 66.6 | 0 | 0 | 0 | 111 | G389 K394 R395 L396 I412 H416 F417 | G389-L392 PolarHBondContact O-N 3.41Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 2.6Å; L392-R395 WeakPolarHBondContact O-CB 3.23Å; L392-R395 PolarHBondContact O-N 3.26Å; L392-L396 HydrophobicContact CD1-CD1 3.94Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CD2-CD1 4.37Å; L392-L396 HydrophobicContact CG-CD1 3.81Å; L392-L396 HydrophobicContact CG-CG 4.35Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.5Å; L392-I412 HydrophobicContact CD1-CG2 4.01Å; L392-H416 HydrophobicContact CD1-CB 3.94Å; L392-H416 HydrophobicContact CD2-CB 4.37Å; L392-F417 HydrophobicContact CD2-CE2 3.77Å; L392-F417 HydrophobicContact CD2-CZ 4.2Å |
| 393 | V | 82.5 | Confident | 82.7 | Confident | 12 Ų | 12 | 74 Ų | 74 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 179.4 | 180 | 0 | 0 | 0 | 0 | 110.9 | P255 F357 R359 G389 A397 | P255-V393 HydrophobicContact CG-CG1 4.48Å; F357-V393 HydrophobicContact CZ-CG1 4.16Å; R359-V393 HydrophobicContact CG-CG1 4.47Å; G389-V393 PolarHBondContact O-N 2.92Å; V393-A397 WeakPolarHBondContact O-CB 3.22Å; V393-A397 PolarHBondContact O-N 2.93Å |
| 394 | K | 84.1 | Confident | 82.4 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 53% | 0.53 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | 174.6 | -75.1 | 173.1 | -179.5 | -176.4 | 0 | 111.9 | N390 S391 L392 K398 | N390-K394 WeakPolarHBondContact O-CB 3.33Å; N390-K394 WeakPolarHBondContact O-CG 3.41Å; N390-K394 PolarHBondContact O-N 3.46Å; S391-K394 PolarHBondContact O-N 2.94Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 2.6Å; K394-K398 WeakPolarHBondContact O-CG 3.42Å; K394-K398 PolarHBondContact O-N 3.14Å |
| 395 | R | 87 | Confident | 81.9 | Confident | 143 Ų | 143 | 72.3 Ų | 72.3 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 179.8 | -175.7 | 179 | -179.3 | 179.2 | 1.5 | 112.6 | S391 L392 G399 R404 | S391-R395 WeakPolarHBondContact O-CB 3.26Å; S391-R395 PolarHBondContact O-N 2.99Å; L392-R395 WeakPolarHBondContact O-CB 3.23Å; L392-R395 PolarHBondContact O-N 3.26Å; R395-G399 PolarHBondContact O-N 3.26Å; R395-G399 VanDerWaalsContact O-N 3.12Å; R395-R404 PolarHBondContact O-NH1 3.25Å |
| 396 | L | 83.5 | Confident | 81 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72 | -41.2 | 178.1 | -66.2 | 172.1 | 0 | 0 | 0 | 111.5 | F231 L254 L392 K398 G399 V400 Q409 I412 I413 | F231-L396 HydrophobicContact CE2-CB 4.5Å; F231-L396 HydrophobicContact CE2-CD2 4.46Å; L254-L396 HydrophobicContact CD1-CB 3.75Å; L254-L396 HydrophobicContact CD1-CD1 3.89Å; L254-L396 HydrophobicContact CD1-CG 4.47Å; L254-L396 HydrophobicContact CD2-CD1 3.64Å; L254-L396 HydrophobicContact CG-CD1 4.24Å; L392-L396 HydrophobicContact CD1-CD1 3.94Å; L392-L396 HydrophobicContact CD1-CG 4.12Å; L392-L396 HydrophobicContact CD2-CD1 4.37Å; L392-L396 HydrophobicContact CG-CD1 3.81Å; L392-L396 HydrophobicContact CG-CG 4.35Å; L392-L396 WeakPolarHBondContact O-CG 3.26Å; L392-L396 PolarHBondContact O-N 3.5Å; L396-K398 VanDerWaalsContact C-N 3.35Å; L396-K398 PolarHBondContact O-N 2.77Å; L396-G399 WeakPolarHBondContact O-CA 3.13Å; L396-G399 PolarHBondContact O-N 3.28Å; L396-V400 PolarHBondContact O-N 2.72Å; L396-Q409 HydrophobicContact CD2-CB 4.5Å; L396-Q409 PolarHBondContact O-NE2 3.21Å; L396-I412 HydrophobicContact CD2-CB 4.18Å; L396-I412 HydrophobicContact CD2-CG2 3.89Å; L396-I413 HydrophobicContact CD1-CD1 4.02Å; L396-I413 HydrophobicContact CD1-CG1 3.66Å; L396-I413 HydrophobicContact CD2-CD1 4.41Å; L396-I413 HydrophobicContact CD2-CG1 3.91Å; L396-I413 HydrophobicContact CG-CG1 4.45Å |
| 397 | A | 80.5 | Confident | 80.3 | Confident | 14 Ų | 14 | 74 Ų | 74 | 12% | 0.116 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F357 V393 G399 V400 Q401 | F357-A397 HydrophobicContact CE1-CB 3.86Å; F357-A397 HydrophobicContact CZ-CB 4.17Å; V393-A397 WeakPolarHBondContact O-CB 3.22Å; V393-A397 PolarHBondContact O-N 2.93Å; A397-G399 VanDerWaalsContact C-N 3.29Å; A397-G399 PolarHBondContact O-N 3.45Å; A397-V400 PolarHBondContact O-N 3.46Å; A397-Q401 PolarHBondContact O-N 2.93Å |
| 398 | K | 84.7 | Confident | 80.1 | Confident | 121 Ų | 121 | 73.4 Ų | 73.4 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | 170 | -77.4 | -176.5 | 177.7 | -171.9 | 0 | 111.1 | K394 L396 V400 Q401 Y402 | K394-K398 WeakPolarHBondContact O-CG 3.42Å; K394-K398 PolarHBondContact O-N 3.14Å; L396-K398 VanDerWaalsContact C-N 3.35Å; L396-K398 PolarHBondContact O-N 2.77Å; K398-V400 VanDerWaalsContact C-N 3.31Å; K398-V400 PolarHBondContact O-N 2.81Å; K398-Q401 WeakPolarHBondContact O-CB 3.36Å; K398-Q401 PolarHBondContact O-N 3.45Å; K398-Q401 VanDerWaalsContact O-N 3.16Å; K398-Y402 HydrophobicContact CB-CD2 4.26Å; K398-Y402 HydrophobicContact CB-CE2 4.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.24Å; K398-Y402 PolarHBondContact O-N 3.33Å |
| 399 | G | 82.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.6 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | R395 L396 A397 Y402 N403 R404 Q409 | R395-G399 PolarHBondContact O-N 3.26Å; R395-G399 VanDerWaalsContact O-N 3.12Å; L396-G399 WeakPolarHBondContact O-CA 3.13Å; L396-G399 PolarHBondContact O-N 3.28Å; A397-G399 VanDerWaalsContact C-N 3.29Å; A397-G399 PolarHBondContact O-N 3.45Å; G399-Y402 CarbonylContact O-C 3.56Å; G399-Y402 PolarHBondContact O-N 3.46Å; G399-N403 PolarHBondContact O-N 2.93Å; G399-R404 WeakPolarHBondContact O-CB 3.2Å; G399-R404 PolarHBondContact O-N 3.3Å; G399-Q409 VanDerWaalsContact C-NE2 3.27Å |
| 400 | V | 75.4 | Confident | 80.7 | Confident | 69 Ų | 69 | 68.2 Ų | 68.2 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 173.9 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | F231 L396 A397 K398 Y402 N403 | F231-V400 HydrophobicContact CE1-CG2 4.26Å; F231-V400 HydrophobicContact CZ-CG2 3.53Å; L396-V400 PolarHBondContact O-N 2.72Å; A397-V400 PolarHBondContact O-N 3.46Å; K398-V400 VanDerWaalsContact C-N 3.31Å; K398-V400 PolarHBondContact O-N 2.81Å; V400-Y402 VanDerWaalsContact C-N 3.26Å; V400-Y402 PolarHBondContact O-N 2.99Å; V400-N403 PolarHBondContact O-N 3.41Å |
| 401 | Q | 78 | Confident | 81 | Confident | 142 Ų | 142 | 67.7 Ų | 67.7 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.6 | -35.1 | 179.8 | -174.7 | -180 | 4.7 | 0 | 0 | 112.8 | A397 K398 | A397-Q401 PolarHBondContact O-N 2.93Å; K398-Q401 WeakPolarHBondContact O-CB 3.36Å; K398-Q401 PolarHBondContact O-N 3.45Å; K398-Q401 VanDerWaalsContact O-N 3.16Å |
| 402 | Y | 84.7 | Confident | 81.1 | Confident | 171 Ų | 171 | 65.2 Ų | 65.2 | 67% | 0.671 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 18.4 | 179.9 | -63.9 | -66.3 | 0 | 0 | 0 | 113.5 | K398 G399 V400 R404 | K398-Y402 HydrophobicContact CB-CD2 4.26Å; K398-Y402 HydrophobicContact CB-CE2 4.29Å; K398-Y402 WeakPolarHBondContact O-CD2 3.24Å; K398-Y402 PolarHBondContact O-N 3.33Å; G399-Y402 CarbonylContact O-C 3.56Å; G399-Y402 PolarHBondContact O-N 3.46Å; V400-Y402 VanDerWaalsContact C-N 3.26Å; V400-Y402 PolarHBondContact O-N 2.99Å; Y402-R404 PolarHBondContact O-N 3.33Å; Y402-R404 VanDerWaalsContact O-N 3.14Å |
| 403 | N | 77.9 | Confident | 81.1 | Confident | 148 Ų | 148 | 64.9 Ų | 64.9 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 38.2 | 179.2 | -65 | -31.7 | 0 | 0 | 0 | 114.2 | G399 V400 | G399-N403 PolarHBondContact O-N 2.93Å; V400-N403 PolarHBondContact O-N 3.41Å |
| 404 | R | 83.1 | Confident | 81.2 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 30% | 0.302 | 32% | 0.318 | S | S | . | . | trans | -60.9 | 133.5 | 173.5 | -176.3 | -173.4 | -63.9 | 139.9 | 0.5 | 109 | R395 G399 Y402 A408 Q409 | R395-R404 PolarHBondContact O-NH1 3.25Å; G399-R404 WeakPolarHBondContact O-CB 3.2Å; G399-R404 PolarHBondContact O-N 3.3Å; Y402-R404 PolarHBondContact O-N 3.33Å; Y402-R404 VanDerWaalsContact O-N 3.14Å; R404-A408 HydrophobicContact CG-CB 3.79Å; R404-Q409 HydrophobicContact CB-CG 4.24Å; R404-Q409 HydrophobicContact CG-CG 4.15Å | ||
| 405 | P | 78.9 | Confident | 81.3 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 50% | 0.5 | 32% | 0.322 | S | S | . | . | trans | -52.2 | 147.4 | 176.5 | -26.5 | 33.9 | 0 | 0 | 0 | 113.3 | E407 A408 Q409 | P405-E407 WeakPolarHBondContact CB-OE2 3.31Å; P405-E407 PolarHBondContact O-N 3.2Å; P405-A408 HydrophobicContact CB-CB 4.46Å; P405-A408 PolarHBondContact O-N 2.96Å; P405-Q409 WeakPolarHBondContact O-CG 3.41Å; P405-Q409 PolarHBondContact O-N 2.75Å | ||
| 406 | S | 72.2 | Confident | 81.3 | Confident | 16 Ų | 16 | 63 Ų | 63 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -32.6 | -177.8 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | Q409 T410 | S406-Q409 PolarHBondContact O-N 2.86Å; S406-T410 VanDerWaalsContact O-CB 3.31Å; S406-T410 WeakPolarHBondContact O-CB 3.41Å; S406-T410 PolarHBondContact O-N 2.87Å; S406-T410 PolarHBondContact O-OG1 2.93Å |
| 407 | E | 75.4 | Confident | 81.6 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 44% | 0.444 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.8 | -56.4 | 85.3 | 169.1 | 0 | 0 | 110.3 | P405 Q409 T410 L411 | P405-E407 WeakPolarHBondContact CB-OE2 3.31Å; P405-E407 PolarHBondContact O-N 3.2Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.89Å; E407-T410 WeakPolarHBondContact O-CB 3.19Å; E407-T410 PolarHBondContact O-N 2.82Å; E407-L411 WeakPolarHBondContact O-CG 3.4Å; E407-L411 PolarHBondContact O-N 3.5Å |
| 408 | A | 79.1 | Confident | 82 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R404 P405 I412 | R404-A408 HydrophobicContact CG-CB 3.79Å; P405-A408 HydrophobicContact CB-CB 4.46Å; P405-A408 PolarHBondContact O-N 2.96Å; A408-I412 WeakPolarHBondContact O-CG1 3.17Å; A408-I412 PolarHBondContact O-N 2.85Å |
| 409 | Q | 82.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 173.7 | -65.3 | -87.9 | 58 | 0 | 0 | 111.8 | F231 L396 G399 R404 P405 S406 E407 I412 I413 | F231-Q409 HydrophobicContact CB-CB 3.78Å; F231-Q409 HydrophobicContact CD1-CB 3.58Å; F231-Q409 HydrophobicContact CD1-CG 3.87Å; F231-Q409 HydrophobicContact CD2-CB 3.41Å; F231-Q409 VanDerWaalsContact CD2-CB 3.41Å; F231-Q409 HydrophobicContact CD2-CG 4.14Å; F231-Q409 HydrophobicContact CE1-CB 3.98Å; F231-Q409 HydrophobicContact CE1-CG 3.79Å; F231-Q409 HydrophobicContact CE2-CB 3.81Å; F231-Q409 HydrophobicContact CE2-CG 4.05Å; F231-Q409 HydrophobicContact CG-CB 3.27Å; F231-Q409 HydrophobicContact CG-CG 4.04Å; F231-Q409 HydrophobicContact CZ-CB 4.09Å; F231-Q409 HydrophobicContact CZ-CG 3.89Å; L396-Q409 HydrophobicContact CD2-CB 4.5Å; L396-Q409 PolarHBondContact O-NE2 3.21Å; G399-Q409 VanDerWaalsContact C-NE2 3.27Å; R404-Q409 HydrophobicContact CB-CG 4.24Å; R404-Q409 HydrophobicContact CG-CG 4.15Å; P405-Q409 WeakPolarHBondContact O-CG 3.41Å; P405-Q409 PolarHBondContact O-N 2.75Å; S406-Q409 PolarHBondContact O-N 2.86Å; E407-Q409 VanDerWaalsContact C-N 3.34Å; E407-Q409 PolarHBondContact O-N 2.89Å; Q409-I412 PolarHBondContact O-N 2.88Å; Q409-I413 PolarHBondContact O-N 2.91Å; Q409-I413 VanDerWaalsContact O-N 3.12Å |
| 410 | T | 80.3 | Confident | 82.6 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | L230 F231 S406 E407 I412 I413 R414 | L230-T410 HydrophobicContact CB-CG2 3.91Å; L230-T410 HydrophobicContact CD1-CG2 4.47Å; L230-T410 HydrophobicContact CG-CG2 4.02Å; L230-T410 PolarHBondContact N-OG1 3.46Å; F231-T410 VanDerWaalsContact CB-OG1 3.29Å; F231-T410 WeakPolarHBondContact CB-OG1 3.1Å; F231-T410 PolarHBondContact N-OG1 3.37Å; S406-T410 VanDerWaalsContact O-CB 3.31Å; S406-T410 WeakPolarHBondContact O-CB 3.41Å; S406-T410 PolarHBondContact O-N 2.87Å; S406-T410 PolarHBondContact O-OG1 2.93Å; E407-T410 WeakPolarHBondContact O-CB 3.19Å; E407-T410 PolarHBondContact O-N 2.82Å; T410-I412 VanDerWaalsContact C-N 3.3Å; T410-I412 PolarHBondContact O-N 2.8Å; T410-I413 PolarHBondContact O-N 2.85Å; T410-R414 HydrophobicContact CG2-CG 4.5Å; T410-R414 WeakPolarHBondContact O-CG 3.35Å; T410-R414 PolarHBondContact O-N 3.31Å |
| 411 | L | 81.9 | Confident | 83.4 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 175.8 | -72.2 | 171.1 | 0 | 0 | 0 | 112.5 | E407 R414 R415 | E407-L411 WeakPolarHBondContact O-CG 3.4Å; E407-L411 PolarHBondContact O-N 3.5Å; L411-R414 PolarHBondContact O-N 2.79Å; L411-R415 WeakPolarHBondContact O-CB 3.36Å; L411-R415 PolarHBondContact O-N 3.26Å |
| 412 | I | 85.7 | Confident | 83.9 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.1 | -68.4 | 165.8 | 0 | 0 | 0 | 111.3 | L392 L396 A408 Q409 T410 H416 | L392-I412 HydrophobicContact CD1-CG2 4.01Å; L396-I412 HydrophobicContact CD2-CB 4.18Å; L396-I412 HydrophobicContact CD2-CG2 3.89Å; A408-I412 WeakPolarHBondContact O-CG1 3.17Å; A408-I412 PolarHBondContact O-N 2.85Å; Q409-I412 PolarHBondContact O-N 2.88Å; T410-I412 VanDerWaalsContact C-N 3.3Å; T410-I412 PolarHBondContact O-N 2.8Å; I412-H416 WeakPolarHBondContact O-CB 3.47Å; I412-H416 PolarHBondContact O-N 3.01Å; I412-H416 VanDerWaalsContact O-N 3.1Å |
| 413 | I | 84.5 | Confident | 84 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.2 | -49.9 | 176.6 | -66.6 | 171.5 | 0 | 0 | 0 | 109.6 | L230 F231 L254 L257 L396 Q409 T410 H416 F417 | L230-I413 HydrophobicContact CB-CD1 4.48Å; L230-I413 HydrophobicContact CD1-CB 4.17Å; L230-I413 HydrophobicContact CD1-CG2 3.68Å; F231-I413 HydrophobicContact CB-CD1 4.49Å; F231-I413 HydrophobicContact CD2-CD1 3.92Å; L254-I413 HydrophobicContact CD2-CD1 3.91Å; L257-I413 HydrophobicContact CD1-CD1 4.43Å; L257-I413 HydrophobicContact CD1-CG2 4.27Å; L396-I413 HydrophobicContact CD1-CD1 4.02Å; L396-I413 HydrophobicContact CD1-CG1 3.66Å; L396-I413 HydrophobicContact CD2-CD1 4.41Å; L396-I413 HydrophobicContact CD2-CG1 3.91Å; L396-I413 HydrophobicContact CG-CG1 4.45Å; Q409-I413 PolarHBondContact O-N 2.91Å; Q409-I413 VanDerWaalsContact O-N 3.12Å; T410-I413 PolarHBondContact O-N 2.85Å; I413-H416 PolarHBondContact O-N 3.02Å; I413-F417 HydrophobicContact CG2-CD2 3.8Å; I413-F417 HydrophobicContact CG2-CE2 4.09Å; I413-F417 WeakPolarHBondContact O-CD2 3.26Å; I413-F417 PolarHBondContact O-N 2.95Å |
| 414 | R | 83.5 | Confident | 84.7 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 15% | 0.151 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.2 | -54.8 | -179.3 | -72 | -178.3 | -169.3 | 154.5 | 4.4 | 111.5 | E227 P228 L230 T410 L411 H416 F417 T418 | E227-R414 VanDerWaalsContact C-NH2 3.32Å; E227-R414 PolarHBondContact O-NH2 3.12Å; E227-R414 WeakPolarHBondContact OE2-CD 3.48Å; E227-R414 IonicContact OE2-CZ 3.55Å; E227-R414 VanDerWaalsContact OE2-CZ 3.28Å; E227-R414 IonicContact OE2-NE 3.78Å; E227-R414 IonicContact OE2-NH1 2.67Å; E227-R414 PolarHBondContact OE2-NH1 2.75Å; P228-R414 PolarHBondContact O-NH2 2.87Å; L230-R414 HydrophobicContact CD1-CG 3.44Å; L230-R414 VanDerWaalsContact CD1-CG 3.44Å; L230-R414 HydrophobicContact CG-CG 4.39Å; T410-R414 HydrophobicContact CG2-CG 4.5Å; T410-R414 WeakPolarHBondContact O-CG 3.35Å; T410-R414 PolarHBondContact O-N 3.31Å; L411-R414 PolarHBondContact O-N 2.79Å; R414-H416 VanDerWaalsContact C-N 3.28Å; R414-H416 PolarHBondContact O-N 3.44Å; R414-F417 PolarHBondContact O-N 3.49Å; R414-F417 VanDerWaalsContact O-N 3.13Å; R414-T418 WeakPolarHBondContact O-CB 3.44Å; R414-T418 PolarHBondContact O-N 3.29Å; R414-T418 PolarHBondContact O-OG1 2.61Å; R414-T418 VanDerWaalsContact O-OG1 3.07Å |
| 415 | R | 85.7 | Confident | 84.9 | Confident | 163 Ų | 163 | 36.4 Ų | 36.4 | 62% | 0.615 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -55.4 | -46.1 | -179.8 | -176.3 | 168.8 | 179.7 | 160.5 | 1.8 | 111.3 | L411 F417 T418 D419 | L411-R415 WeakPolarHBondContact O-CB 3.36Å; L411-R415 PolarHBondContact O-N 3.26Å; R415-F417 PolarHBondContact O-N 2.88Å; R415-T418 PolarHBondContact O-N 3.28Å; R415-D419 WeakPolarHBondContact CG-OD2 3.33Å; R415-D419 VanDerWaalsContact O-CB 3.3Å; R415-D419 WeakPolarHBondContact O-CB 3.46Å; R415-D419 PolarHBondContact O-N 2.94Å |
| 416 | H | 87.8 | Confident | 85.3 | Confident | 34 Ų | 34 | 37.8 Ų | 37.8 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 177.9 | -178.9 | 93 | 0 | 0 | 0 | 112.8 | H258 L392 I412 I413 R414 L420 | H258-H416 AromaticContact CE1-NE2 3.64Å; H258-H416 AromaticContact NE2-CE1 3.91Å; H258-H416 AromaticContact NE2-NE2 3.15Å; H258-H416 PolarHBondContact NE2-NE2 2.82Å; H258-H416 VanDerWaalsContact NE2-NE2 3.15Å; L392-H416 HydrophobicContact CD1-CB 3.94Å; L392-H416 HydrophobicContact CD2-CB 4.37Å; I412-H416 WeakPolarHBondContact O-CB 3.47Å; I412-H416 PolarHBondContact O-N 3.01Å; I412-H416 VanDerWaalsContact O-N 3.1Å; I413-H416 PolarHBondContact O-N 3.02Å; R414-H416 VanDerWaalsContact C-N 3.28Å; R414-H416 PolarHBondContact O-N 3.44Å; H416-L420 VanDerWaalsContact O-CB 3.27Å; H416-L420 WeakPolarHBondContact O-CB 3.46Å; H416-L420 PolarHBondContact O-N 3.01Å |
| 417 | F | 89.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.7 | -28.1 | -176.8 | -78.6 | -72.5 | 0 | 0 | 0 | 113.7 | L257 W261 L290 L392 I413 R414 R415 L420 T421 | L257-F417 HydrophobicContact CB-CE2 3.79Å; L257-F417 HydrophobicContact CB-CZ 3.49Å; L257-F417 VanDerWaalsContact CB-CZ 3.49Å; L257-F417 HydrophobicContact CD1-CE2 3.99Å; L257-F417 HydrophobicContact CG-CE2 4.46Å; W261-F417 HydrophobicContact CB-CD1 3.85Å; W261-F417 HydrophobicContact CB-CE1 3.59Å; W261-F417 AromaticContact CD1-CD1 3.53Å; W261-F417 AromaticContact CG-CD1 3.73Å; W261-F417 HydrophobicContact CG-CD1 3.73Å; W261-F417 AromaticContact CG-CE1 3.89Å; W261-F417 HydrophobicContact CG-CE1 3.89Å; L290-F417 HydrophobicContact CD2-CD2 3.95Å; L290-F417 HydrophobicContact CD2-CE2 4.29Å; L290-F417 HydrophobicContact CD2-CG 4.12Å; L290-F417 WeakPolarHBondContact O-CB 3.21Å; L392-F417 HydrophobicContact CD2-CE2 3.77Å; L392-F417 HydrophobicContact CD2-CZ 4.2Å; I413-F417 HydrophobicContact CG2-CD2 3.8Å; I413-F417 HydrophobicContact CG2-CE2 4.09Å; I413-F417 WeakPolarHBondContact O-CD2 3.26Å; I413-F417 PolarHBondContact O-N 2.95Å; R414-F417 PolarHBondContact O-N 3.49Å; R414-F417 VanDerWaalsContact O-N 3.13Å; R415-F417 PolarHBondContact O-N 2.88Å; F417-L420 HydrophobicContact CD1-CD2 3.82Å; F417-L420 HydrophobicContact CE1-CD2 3.93Å; F417-T421 WeakPolarHBondContact O-CB 3.37Å; F417-T421 PolarHBondContact O-N 3.42Å; F417-T421 PolarHBondContact O-OG1 3.28Å |
| 418 | T | 89.1 | Confident | 86.3 | Confident | 22 Ų | 22 | 33.7 Ų | 33.7 | 14% | 0.135 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -49.6 | 167.8 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | W292 R414 R415 L420 T421 Q422 | W292-T418 WeakPolarHBondContact O-CA 3.37Å; R414-T418 WeakPolarHBondContact O-CB 3.44Å; R414-T418 PolarHBondContact O-N 3.29Å; R414-T418 PolarHBondContact O-OG1 2.61Å; R414-T418 VanDerWaalsContact O-OG1 3.07Å; R415-T418 PolarHBondContact O-N 3.28Å; T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 3.4Å; T418-T421 PolarHBondContact O-N 3.05Å; T418-Q422 HydrophobicContact CG2-CG 4.42Å; T418-Q422 WeakPolarHBondContact O-CB 3.49Å; T418-Q422 WeakPolarHBondContact O-CG 3.42Å; T418-Q422 PolarHBondContact O-N 3.33Å |
| 419 | D | 88.6 | Confident | 86.2 | Confident | 63 Ų | 63 | 37.2 Ų | 37.2 | 34% | 0.337 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 177.5 | -64.6 | -14.3 | 0 | 0 | 0 | 110.7 | R415 S423 | R415-D419 WeakPolarHBondContact CG-OD2 3.33Å; R415-D419 VanDerWaalsContact O-CB 3.3Å; R415-D419 WeakPolarHBondContact O-CB 3.46Å; R415-D419 PolarHBondContact O-N 2.94Å; D419-S423 WeakPolarHBondContact O-CB 3.25Å; D419-S423 PolarHBondContact O-N 3.39Å; D419-S423 PolarHBondContact O-OG 3.43Å |
| 420 | L | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -48.2 | 175.8 | -179.4 | 65.7 | 0 | 0 | 0 | 111.8 | W261 H416 F417 T418 S423 F424 A454 V456 W460 | W261-L420 HydrophobicContact CD2-CD2 3.71Å; W261-L420 HydrophobicContact CD2-CG 4.45Å; W261-L420 HydrophobicContact CE3-CD2 3.96Å; W261-L420 HydrophobicContact CG-CD2 4.18Å; W261-L420 HydrophobicContact CH2-CD2 4.29Å; W261-L420 HydrophobicContact CH2-CG 4.18Å; W261-L420 HydrophobicContact CZ2-CD2 4.05Å; W261-L420 HydrophobicContact CZ2-CG 3.88Å; W261-L420 HydrophobicContact CZ3-CD2 4.25Å; H416-L420 VanDerWaalsContact O-CB 3.27Å; H416-L420 WeakPolarHBondContact O-CB 3.46Å; H416-L420 PolarHBondContact O-N 3.01Å; F417-L420 HydrophobicContact CD1-CD2 3.82Å; F417-L420 HydrophobicContact CE1-CD2 3.93Å; T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 3.4Å; L420-S423 PolarHBondContact O-N 2.93Å; L420-F424 WeakPolarHBondContact O-CB 3.49Å; L420-F424 PolarHBondContact O-N 3.07Å; L420-A454 HydrophobicContact CD1-CB 3.49Å; L420-A454 VanDerWaalsContact CD1-CB 3.49Å; L420-V456 HydrophobicContact CD1-CG2 4.35Å; L420-W460 HydrophobicContact CD1-CH2 3.74Å |
| 421 | T | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.7 | -43.1 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | W261 I291 L294 F417 T418 S423 F424 L425 | W261-T421 PolarHBondContact NE1-OG1 2.8Å; I291-T421 WeakPolarHBondContact O-CG2 3.37Å; L294-T421 HydrophobicContact CB-CG2 4.08Å; F417-T421 WeakPolarHBondContact O-CB 3.37Å; F417-T421 PolarHBondContact O-N 3.42Å; F417-T421 PolarHBondContact O-OG1 3.28Å; T418-T421 PolarHBondContact O-N 3.05Å; T421-S423 PolarHBondContact O-N 3.2Å; T421-F424 WeakPolarHBondContact O-CB 3.5Å; T421-F424 PolarHBondContact O-N 3.47Å; T421-L425 HydrophobicContact CG2-CD1 4.09Å; T421-L425 HydrophobicContact CG2-CG 4.44Å; T421-L425 WeakPolarHBondContact O-CG 3.33Å; T421-L425 PolarHBondContact O-N 2.91Å |
| 422 | Q | 89.3 | Confident | 82.8 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.341 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 174.5 | -73.7 | 177.4 | -27.8 | 0 | 0 | 111.5 | S203 P293 T418 F424 L425 L426 | S203-Q422 PolarHBondContact OG-NE2 3.32Å; S203-Q422 VanDerWaalsContact OG-NE2 3.09Å; S203-Q422 PolarHBondContact OG-OE1 2.69Å; P293-Q422 HydrophobicContact CG-CG 4.07Å; T418-Q422 HydrophobicContact CG2-CG 4.42Å; T418-Q422 WeakPolarHBondContact O-CB 3.49Å; T418-Q422 WeakPolarHBondContact O-CG 3.42Å; T418-Q422 PolarHBondContact O-N 3.33Å; Q422-F424 VanDerWaalsContact C-N 3.26Å; Q422-F424 PolarHBondContact O-N 2.98Å; Q422-L425 PolarHBondContact O-N 2.99Å; Q422-L426 PolarHBondContact O-N 3.14Å |
| 423 | S | 87.4 | Confident | 81.1 | Confident | 16 Ų | 16 | 52 Ų | 52 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | D419 L420 T421 P427 P451 | D419-S423 WeakPolarHBondContact O-CB 3.25Å; D419-S423 PolarHBondContact O-N 3.39Å; D419-S423 PolarHBondContact O-OG 3.43Å; L420-S423 PolarHBondContact O-N 2.93Å; T421-S423 PolarHBondContact O-N 3.2Å; S423-P427 WeakPolarHBondContact O-CD 3.34Å; S423-P451 WeakPolarHBondContact O-CG 3.43Å |
| 424 | F | 90.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.9 | -40.4 | 175.3 | 174.8 | -104.8 | 0 | 0 | 0 | 112.1 | W261 L265 L420 T421 Q422 P427 W460 L463 Y464 F467 | W261-F424 HydrophobicContact CH2-CB 4.34Å; W261-F424 HydrophobicContact CH2-CG 4.26Å; W261-F424 HydrophobicContact CZ2-CB 4.39Å; L265-F424 HydrophobicContact CD1-CD1 4.34Å; L265-F424 HydrophobicContact CD1-CE1 4.08Å; L265-F424 HydrophobicContact CD2-CD1 4.11Å; L265-F424 HydrophobicContact CD2-CE1 3.73Å; L265-F424 HydrophobicContact CD2-CZ 3.94Å; L265-F424 HydrophobicContact CG-CE1 4.36Å; L420-F424 WeakPolarHBondContact O-CB 3.49Å; L420-F424 PolarHBondContact O-N 3.07Å; T421-F424 WeakPolarHBondContact O-CB 3.5Å; T421-F424 PolarHBondContact O-N 3.47Å; Q422-F424 VanDerWaalsContact C-N 3.26Å; Q422-F424 PolarHBondContact O-N 2.98Å; F424-P427 WeakPolarHBondContact O-CD 3.31Å; F424-W460 HydrophobicContact CB-CZ3 4.25Å; F424-W460 AromaticContact CD2-CE3 3.95Å; F424-W460 HydrophobicContact CD2-CE3 3.95Å; F424-W460 AromaticContact CD2-CZ3 3.76Å; F424-W460 HydrophobicContact CD2-CZ3 3.76Å; F424-W460 HydrophobicContact CG-CZ3 4.46Å; F424-L463 HydrophobicContact CD2-CD2 4.36Å; F424-L463 HydrophobicContact CE2-CD2 3.93Å; F424-L463 HydrophobicContact CE2-CG 3.99Å; F424-L463 HydrophobicContact CZ-CG 4.35Å; F424-Y464 HydrophobicContact CD2-CD1 4.21Å; F424-Y464 AromaticContact CD2-CE1 3.55Å; F424-Y464 HydrophobicContact CD2-CE1 3.55Å; F424-Y464 HydrophobicContact CD2-CE2 4.44Å; F424-Y464 AromaticContact CD2-CZ 3.67Å; F424-Y464 HydrophobicContact CE1-CE1 4.32Å; F424-Y464 AromaticContact CE2-CD1 3.42Å; F424-Y464 HydrophobicContact CE2-CD1 3.42Å; F424-Y464 VanDerWaalsContact CE2-CD1 3.42Å; F424-Y464 HydrophobicContact CE2-CD2 4.42Å; F424-Y464 AromaticContact CE2-CE1 3.23Å; F424-Y464 HydrophobicContact CE2-CE1 3.23Å; F424-Y464 HydrophobicContact CE2-CE2 4.28Å; F424-Y464 HydrophobicContact CE2-CG 4.01Å; F424-Y464 AromaticContact CE2-CZ 3.69Å; F424-Y464 HydrophobicContact CG-CE1 4.25Å; F424-Y464 AromaticContact CZ-CD1 3.62Å; F424-Y464 HydrophobicContact CZ-CD1 3.62Å; F424-Y464 AromaticContact CZ-CE1 3.67Å; F424-Y464 HydrophobicContact CZ-CE1 3.67Å; F424-Y464 HydrophobicContact CZ-CG 4.46Å; F424-Y464 VanDerWaalsContact O-CE1 3.25Å; F424-Y464 WeakPolarHBondContact O-CE1 3.26Å; F424-Y464 PolarHBondContact O-OH 3.3Å; F424-F467 HydrophobicContact CE1-CB 4.3Å; F424-F467 AromaticContact CE1-CD1 3.51Å; F424-F467 HydrophobicContact CE1-CD1 3.51Å; F424-F467 HydrophobicContact CE1-CD2 4.22Å; F424-F467 AromaticContact CE1-CE1 3.77Å; F424-F467 HydrophobicContact CE1-CE1 3.77Å; F424-F467 HydrophobicContact CE1-CE2 4.46Å; F424-F467 AromaticContact CE1-CG 3.74Å; F424-F467 HydrophobicContact CE1-CG 3.74Å; F424-F467 HydrophobicContact CE1-CZ 4.26Å; F424-F467 HydrophobicContact CZ-CB 3.81Å; F424-F467 AromaticContact CZ-CD1 3.71Å; F424-F467 HydrophobicContact CZ-CD1 3.71Å; F424-F467 HydrophobicContact CZ-CE1 4.42Å; F424-F467 AromaticContact CZ-CG 3.78Å; F424-F467 HydrophobicContact CZ-CG 3.78Å |
| 425 | L | 89.2 | Confident | 79.5 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.1 | -28.6 | -179.5 | -66.5 | 173.7 | 0 | 0 | 0 | 113.4 | L294 T421 Q422 L428 E429 F467 | L294-L425 HydrophobicContact CB-CD1 4.41Å; L294-L425 HydrophobicContact CD1-CD1 4.29Å; L294-L425 HydrophobicContact CD1-CD2 4.41Å; T421-L425 HydrophobicContact CG2-CD1 4.09Å; T421-L425 HydrophobicContact CG2-CG 4.44Å; T421-L425 WeakPolarHBondContact O-CG 3.33Å; T421-L425 PolarHBondContact O-N 2.91Å; Q422-L425 PolarHBondContact O-N 2.99Å; L425-L428 HydrophobicContact CD2-CD1 4.13Å; L425-L428 WeakPolarHBondContact O-CA 3.47Å; L425-L428 VanDerWaalsContact O-CB 3.3Å; L425-L428 WeakPolarHBondContact O-CB 3.46Å; L425-L428 PolarHBondContact O-N 3.38Å; L425-E429 PolarHBondContact O-N 3.12Å; L425-F467 HydrophobicContact CD2-CE1 4.15Å; L425-F467 HydrophobicContact CD2-CZ 4.23Å |
| 426 | L | 86 | Confident | 79.4 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 56% | 0.555 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -51.4 | -45.8 | -173.4 | -171.9 | 78.7 | 0 | 0 | 0 | 114.5 | Q422 L428 E429 | Q422-L426 PolarHBondContact O-N 3.14Å; L426-L428 VanDerWaalsContact C-N 3.25Å; L426-L428 PolarHBondContact O-N 3.32Å; L426-E429 PolarHBondContact O-N 2.91Å |
| 427 | P | 85.3 | Confident | 79.4 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -64.5 | -30 | 177.4 | -23.1 | 36.8 | 0 | 0 | 0 | 113.3 | S423 F424 E429 S430 F441 V445 P451 | S423-P427 WeakPolarHBondContact O-CD 3.34Å; F424-P427 WeakPolarHBondContact O-CD 3.31Å; P427-E429 PolarHBondContact O-N 2.93Å; P427-S430 PolarHBondContact O-N 3.27Å; P427-F441 HydrophobicContact CB-CE2 3.92Å; P427-F441 HydrophobicContact CB-CZ 4.18Å; P427-F441 WeakPolarHBondContact O-CE2 3.34Å; P427-V445 HydrophobicContact CB-CG2 3.94Å; P427-P451 HydrophobicContact CG-CG 3.46Å; P427-P451 VanDerWaalsContact CG-CG 3.46Å |
| 428 | L | 84.2 | Confident | 79.2 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -71 | -19 | -179.8 | -65.2 | 165.7 | 0 | 0 | 0 | 112.3 | L425 L426 S430 P431 F436 F441 Y464 F467 F473 W476 | L425-L428 HydrophobicContact CD2-CD1 4.13Å; L425-L428 WeakPolarHBondContact O-CA 3.47Å; L425-L428 VanDerWaalsContact O-CB 3.3Å; L425-L428 WeakPolarHBondContact O-CB 3.46Å; L425-L428 PolarHBondContact O-N 3.38Å; L426-L428 VanDerWaalsContact C-N 3.25Å; L426-L428 PolarHBondContact O-N 3.32Å; L428-S430 VanDerWaalsContact C-N 3.27Å; L428-S430 PolarHBondContact O-N 3.3Å; L428-P431 WeakPolarHBondContact O-CD 3.33Å; L428-P431 WeakPolarHBondContact O-CG 3.33Å; L428-F436 HydrophobicContact CD2-CE2 3.84Å; L428-F436 HydrophobicContact CD2-CZ 3.88Å; L428-F441 HydrophobicContact CD2-CD1 4.05Å; L428-F441 HydrophobicContact CD2-CD2 4.2Å; L428-F441 HydrophobicContact CD2-CE1 3.5Å; L428-F441 HydrophobicContact CD2-CE2 3.68Å; L428-F441 HydrophobicContact CD2-CG 4.37Å; L428-F441 HydrophobicContact CD2-CZ 3.29Å; L428-F441 HydrophobicContact CG-CE1 4.42Å; L428-F441 HydrophobicContact CG-CE2 4.16Å; L428-F441 HydrophobicContact CG-CZ 3.8Å; L428-Y464 HydrophobicContact CD1-CD1 4.4Å; L428-Y464 HydrophobicContact CD1-CE1 4.17Å; L428-Y464 HydrophobicContact CD2-CD1 4.41Å; L428-Y464 HydrophobicContact CG-CD1 4.43Å; L428-Y464 HydrophobicContact CG-CE1 4.14Å; L428-F467 HydrophobicContact CD1-CD1 4.03Å; L428-F467 HydrophobicContact CD1-CE1 3.75Å; L428-F473 HydrophobicContact CD1-CE2 4.48Å; L428-F473 HydrophobicContact CD2-CE2 4.2Å; L428-W476 HydrophobicContact CB-CH2 3.35Å; L428-W476 HydrophobicContact CB-CZ2 4.03Å; L428-W476 HydrophobicContact CB-CZ3 3.83Å; L428-W476 HydrophobicContact CD1-CZ3 4.46Å; L428-W476 WeakPolarHBondContact O-CH2 3.36Å |
| 429 | E | 77.4 | Confident | 79.2 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -77.8 | -10.1 | 177.9 | -63.5 | -180 | 170.4 | 0 | 0 | 113.2 | L425 L426 P427 W476 | L425-E429 PolarHBondContact O-N 3.12Å; L426-E429 PolarHBondContact O-N 2.91Å; P427-E429 PolarHBondContact O-N 2.93Å; E429-W476 HydrophobicContact CG-CZ2 4.01Å |
| 430 | S | 63.7 | Low | 79.1 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | trans | -78.4 | -21.2 | -176 | -65 | 0 | 0 | 0 | 0 | 118.3 | P427 L428 K432 | P427-S430 PolarHBondContact O-N 3.27Å; L428-S430 VanDerWaalsContact C-N 3.27Å; L428-S430 PolarHBondContact O-N 3.3Å; S430-K432 PolarHBondContact O-N 2.98Å | ||
| 431 | P | 53.8 | Low | 79 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | trans | -72.1 | 107.1 | -173.6 | 24.2 | -23.9 | 0 | 0 | 0 | 110.8 | L428 V433 F436 | L428-P431 WeakPolarHBondContact O-CD 3.33Å; L428-P431 WeakPolarHBondContact O-CG 3.33Å; P431-V433 PolarHBondContact O-N 2.98Å; P431-F436 HydrophobicContact CG-CD2 4.02Å; P431-F436 HydrophobicContact CG-CE2 4.47Å | ||
| 432 | K | 54.2 | Low | 78.8 | Confident | 211 Ų | 211 | 68.9 Ų | 68.9 | 92% | 0.917 | 36% | 0.359 | S | S | * | . | trans | -72 | 21.8 | 172.3 | -65.3 | -177.7 | 176.8 | 178.9 | 0 | 113.4 | S430 | S430-K432 PolarHBondContact O-N 2.98Š| ||
| 433 | V | 51.7 | Low | 78.7 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -114.2 | 134.5 | -171.6 | -169.6 | 0 | 0 | 0 | 0 | 108.3 | P431 Q435 | P431-V433 PolarHBondContact O-N 2.98Å; V433-Q435 PolarHBondContact O-N 3.49Å |
| 434 | P | 62 | Low | 78.6 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 77% | 0.773 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -57.6 | -23.4 | 179.2 | 19.4 | -30.9 | 0 | 0 | 0 | 113.3 | Q481 | P434-Q481 PolarHBondContact O-NE2 2.74Š|
| 435 | Q | 72.5 | Confident | 78.3 | Confident | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.673 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -118.3 | 122.7 | 179.4 | -163.2 | 167.3 | 6.4 | 0 | 0 | 110.4 | V433 E437 | V433-Q435 PolarHBondContact O-N 3.49Å; Q435-E437 PolarHBondContact O-N 2.93Å |
| 436 | F | 83.5 | Confident | 78.1 | Confident | 35 Ų | 35 | 80 Ų | 80 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | trans | -74.4 | 119.8 | 176.5 | 177 | -91.4 | 0 | 0 | 0 | 110.5 | L428 P431 L438 F441 F473 L477 | L428-F436 HydrophobicContact CD2-CE2 3.84Å; L428-F436 HydrophobicContact CD2-CZ 3.88Å; P431-F436 HydrophobicContact CG-CD2 4.02Å; P431-F436 HydrophobicContact CG-CE2 4.47Å; F436-L438 HydrophobicContact CE1-CB 4.18Å; F436-L438 HydrophobicContact CE1-CD1 4.41Å; F436-F441 HydrophobicContact CE2-CB 4.09Å; F436-F441 HydrophobicContact CE2-CD1 4.47Å; F436-F441 HydrophobicContact CE2-CD2 4.39Å; F436-F441 HydrophobicContact CE2-CG 4.05Å; F436-F441 HydrophobicContact CZ-CB 4.06Å; F436-F441 HydrophobicContact CZ-CD1 4.04Å; F436-F441 HydrophobicContact CZ-CG 4.01Å; F436-F473 HydrophobicContact CD1-CE1 4.05Å; F436-F473 AromaticContact CD1-CZ 3.57Å; F436-F473 HydrophobicContact CD1-CZ 3.57Å; F436-F473 HydrophobicContact CD2-CZ 4.19Å; F436-F473 AromaticContact CE1-CE1 3.97Å; F436-F473 HydrophobicContact CE1-CE1 3.97Å; F436-F473 HydrophobicContact CE1-CE2 4.29Å; F436-F473 AromaticContact CE1-CZ 3.39Å; F436-F473 HydrophobicContact CE1-CZ 3.39Å; F436-F473 HydrophobicContact CE2-CE2 4.38Å; F436-F473 HydrophobicContact CE2-CZ 4.05Å; F436-F473 AromaticContact CG-CZ 3.97Å; F436-F473 HydrophobicContact CG-CZ 3.97Å; F436-F473 HydrophobicContact CZ-CE2 4.12Å; F436-F473 AromaticContact CZ-CZ 3.65Å; F436-F473 HydrophobicContact CZ-CZ 3.65Å; F436-L477 HydrophobicContact CB-CD1 3.95Å; F436-L477 HydrophobicContact CB-CD2 3.81Å; F436-L477 HydrophobicContact CG-CD1 4.41Å; F436-L477 HydrophobicContact CG-CD2 4.31Å | ||
| 437 | E | 86.1 | Confident | 77.9 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 53% | 0.533 | 42% | 0.417 | S | S | . | . | trans | -108.9 | 112.8 | 172.8 | -69.4 | -153 | 177.2 | 0 | 0 | 111.9 | Q435 N439 E440 F441 | Q435-E437 PolarHBondContact O-N 2.93Å; E437-N439 VanDerWaalsContact C-N 3.34Å; E437-N439 PolarHBondContact O-N 3.33Å; E437-E440 HydrophobicContact CB-CB 4.08Å; E437-E440 PolarHBondContact O-N 2.7Å; E437-F441 WeakPolarHBondContact O-CB 3.38Å; E437-F441 PolarHBondContact O-N 2.97Å | ||
| 438 | L | 87.3 | Confident | 77.6 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -56.7 | -44.2 | -176.9 | 177.2 | 60.9 | 0 | 0 | 0 | 112.7 | F436 E440 F441 I442 C468 | F436-L438 HydrophobicContact CE1-CB 4.18Å; F436-L438 HydrophobicContact CE1-CD1 4.41Å; L438-E440 PolarHBondContact O-N 3.16Å; L438-F441 HydrophobicContact CD1-CD1 4.4Å; L438-F441 PolarHBondContact O-N 3.1Å; L438-I442 HydrophobicContact CD1-CD1 4.32Å; L438-I442 HydrophobicContact CD1-CG1 4.01Å; L438-I442 HydrophobicContact CG-CG1 4.45Å; L438-I442 VanDerWaalsContact O-CG1 3.28Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 2.89Å; L438-C468 HydrophobicContact CD1-CB 3.88Å; L438-C468 HydrophobicContact CD2-CB 4.39Å |
| 439 | N | 88.6 | Confident | 77 | Confident | 105 Ų | 105 | 86 Ų | 86 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.1 | -33.9 | -175.8 | -71.2 | -38.7 | 0 | 0 | 0 | 112.8 | E437 K443 | E437-N439 VanDerWaalsContact C-N 3.34Å; E437-N439 PolarHBondContact O-N 3.33Å; N439-K443 VanDerWaalsContact O-CG 3.31Å; N439-K443 WeakPolarHBondContact O-CG 3.41Å; N439-K443 PolarHBondContact O-N 3.38Å |
| 440 | E | 87 | Confident | 76.6 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 49% | 0.486 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 174.8 | -169.7 | -178.5 | -177 | 0 | 0 | 111.1 | E437 L438 I442 K443 T444 | E437-E440 HydrophobicContact CB-CB 4.08Å; E437-E440 PolarHBondContact O-N 2.7Å; L438-E440 PolarHBondContact O-N 3.16Å; E440-I442 PolarHBondContact O-N 2.83Å; E440-K443 PolarHBondContact O-N 2.83Å; E440-T444 PolarHBondContact O-N 3Å; E440-T444 PolarHBondContact O-OG1 2.93Å |
| 441 | F | 87 | Confident | 76.5 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 6% | 0.061 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -56.3 | -50.3 | 173.4 | 167.2 | -107.3 | 0 | 0 | 0 | 111.7 | P427 L428 F436 E437 L438 K443 T444 V445 Y464 | P427-F441 HydrophobicContact CB-CE2 3.92Å; P427-F441 HydrophobicContact CB-CZ 4.18Å; P427-F441 WeakPolarHBondContact O-CE2 3.34Å; L428-F441 HydrophobicContact CD2-CD1 4.05Å; L428-F441 HydrophobicContact CD2-CD2 4.2Å; L428-F441 HydrophobicContact CD2-CE1 3.5Å; L428-F441 HydrophobicContact CD2-CE2 3.68Å; L428-F441 HydrophobicContact CD2-CG 4.37Å; L428-F441 HydrophobicContact CD2-CZ 3.29Å; L428-F441 HydrophobicContact CG-CE1 4.42Å; L428-F441 HydrophobicContact CG-CE2 4.16Å; L428-F441 HydrophobicContact CG-CZ 3.8Å; F436-F441 HydrophobicContact CE2-CB 4.09Å; F436-F441 HydrophobicContact CE2-CD1 4.47Å; F436-F441 HydrophobicContact CE2-CD2 4.39Å; F436-F441 HydrophobicContact CE2-CG 4.05Å; F436-F441 HydrophobicContact CZ-CB 4.06Å; F436-F441 HydrophobicContact CZ-CD1 4.04Å; F436-F441 HydrophobicContact CZ-CG 4.01Å; E437-F441 WeakPolarHBondContact O-CB 3.38Å; E437-F441 PolarHBondContact O-N 2.97Å; L438-F441 HydrophobicContact CD1-CD1 4.4Å; L438-F441 PolarHBondContact O-N 3.1Å; F441-K443 PolarHBondContact O-N 2.78Å; F441-T444 WeakPolarHBondContact O-CB 3.08Å; F441-T444 PolarHBondContact O-N 3.16Å; F441-T444 VanDerWaalsContact O-N 3.1Å; F441-V445 HydrophobicContact CD2-CG2 3.95Å; F441-V445 HydrophobicContact CE1-CG2 4.05Å; F441-V445 HydrophobicContact CE2-CG2 3.35Å; F441-V445 HydrophobicContact CZ-CG2 3.42Å; F441-V445 VanDerWaalsContact CZ-CG2 3.42Å; F441-V445 WeakPolarHBondContact O-CG2 3.42Å; F441-V445 PolarHBondContact O-N 3.32Å; F441-Y464 AromaticContact CE1-CD1 3.82Å; F441-Y464 HydrophobicContact CE1-CD1 3.82Å; F441-Y464 HydrophobicContact CE1-CD2 4.43Å; F441-Y464 HydrophobicContact CE1-CE1 4.37Å; F441-Y464 AromaticContact CE1-CG 3.88Å; F441-Y464 HydrophobicContact CE1-CG 3.88Å; F441-Y464 AromaticContact CZ-CD1 3.93Å; F441-Y464 HydrophobicContact CZ-CD1 3.93Å; F441-Y464 HydrophobicContact CZ-CE1 4Å; F441-Y464 HydrophobicContact CZ-CG 4.25Å |
| 442 | I | 88.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | -179 | -65 | -61.5 | 0 | 0 | 0 | 111.5 | L438 E440 T444 V445 E446 I461 R465 | L438-I442 HydrophobicContact CD1-CD1 4.32Å; L438-I442 HydrophobicContact CD1-CG1 4.01Å; L438-I442 HydrophobicContact CG-CG1 4.45Å; L438-I442 VanDerWaalsContact O-CG1 3.28Å; L438-I442 WeakPolarHBondContact O-CG1 3.42Å; L438-I442 PolarHBondContact O-N 2.89Å; E440-I442 PolarHBondContact O-N 2.83Å; I442-T444 PolarHBondContact O-N 3.38Å; I442-V445 PolarHBondContact O-N 3.24Å; I442-E446 HydrophobicContact CG2-CG 4.21Å; I442-E446 WeakPolarHBondContact O-CB 3.41Å; I442-E446 WeakPolarHBondContact O-CG 3.36Å; I442-E446 PolarHBondContact O-N 3.3Å; I442-I461 HydrophobicContact CD1-CG2 4.36Å; I442-I461 HydrophobicContact CG2-CG2 3.82Å; I442-R465 HydrophobicContact CD1-CG 4.35Å; I442-R465 HydrophobicContact CG1-CG 4.43Å |
| 443 | K | 86.8 | Confident | 76.7 | Confident | 147 Ų | 147 | 79.2 Ų | 79.2 | 64% | 0.639 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.1 | -40.6 | 174.7 | -73.8 | 172.7 | -177.8 | 178 | 0 | 111.8 | N439 E440 F441 S447 | N439-K443 VanDerWaalsContact O-CG 3.31Å; N439-K443 WeakPolarHBondContact O-CG 3.41Å; N439-K443 PolarHBondContact O-N 3.38Å; E440-K443 PolarHBondContact O-N 2.83Å; F441-K443 PolarHBondContact O-N 2.78Å; K443-S447 PolarHBondContact O-N 3.06Å; K443-S447 VanDerWaalsContact O-N 3.09Å; K443-S447 PolarHBondContact O-OG 3.36Å |
| 444 | T | 84.7 | Confident | 77.1 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 178.2 | -54 | 0 | 0 | 0 | 0 | 111.1 | E440 F441 I442 E446 S447 V448 | E440-T444 PolarHBondContact O-N 3Å; E440-T444 PolarHBondContact O-OG1 2.93Å; F441-T444 WeakPolarHBondContact O-CB 3.08Å; F441-T444 PolarHBondContact O-N 3.16Å; F441-T444 VanDerWaalsContact O-N 3.1Å; I442-T444 PolarHBondContact O-N 3.38Å; T444-E446 VanDerWaalsContact C-N 3.35Å; T444-E446 PolarHBondContact O-N 2.9Å; T444-S447 PolarHBondContact O-N 3.13Å; T444-S447 PolarHBondContact O-OG 2.77Å; T444-V448 HydrophobicContact CG2-CG2 4.3Å; T444-V448 WeakPolarHBondContact O-CG2 3.3Å; T444-V448 PolarHBondContact O-N 3.21Å |
| 445 | V | 84.4 | Confident | 77.5 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | P427 F441 I442 S447 G449 L450 Y464 | P427-V445 HydrophobicContact CB-CG2 3.94Å; F441-V445 HydrophobicContact CD2-CG2 3.95Å; F441-V445 HydrophobicContact CE1-CG2 4.05Å; F441-V445 HydrophobicContact CE2-CG2 3.35Å; F441-V445 HydrophobicContact CZ-CG2 3.42Å; F441-V445 VanDerWaalsContact CZ-CG2 3.42Å; F441-V445 WeakPolarHBondContact O-CG2 3.42Å; F441-V445 PolarHBondContact O-N 3.32Å; I442-V445 PolarHBondContact O-N 3.24Å; V445-S447 VanDerWaalsContact C-N 3.29Å; V445-S447 PolarHBondContact O-N 3.14Å; V445-G449 CarbonylContact O-C 3.56Å; V445-G449 PolarHBondContact O-N 3.36Å; V445-L450 HydrophobicContact CG1-CD2 3.56Å; V445-L450 HydrophobicContact CG1-CG 4.14Å; V445-Y464 HydrophobicContact CG1-CE2 4.38Å |
| 446 | E | 84.6 | Confident | 77.9 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 50% | 0.5 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 176.1 | -76 | 173.9 | 167.8 | 0 | 0 | 112.1 | I442 T444 I461 | I442-E446 HydrophobicContact CG2-CG 4.21Å; I442-E446 WeakPolarHBondContact O-CB 3.41Å; I442-E446 WeakPolarHBondContact O-CG 3.36Å; I442-E446 PolarHBondContact O-N 3.3Å; T444-E446 VanDerWaalsContact C-N 3.35Å; T444-E446 PolarHBondContact O-N 2.9Å; E446-I461 HydrophobicContact CG-CD1 3.65Å; E446-I461 HydrophobicContact CG-CG1 4.3Å |
| 447 | S | 82.3 | Confident | 77.9 | Confident | 96 Ų | 96 | 74.2 Ų | 74.2 | 67% | 0.671 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -79.7 | -40.4 | 179.2 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | K443 T444 V445 G449 | K443-S447 PolarHBondContact O-N 3.06Å; K443-S447 VanDerWaalsContact O-N 3.09Å; K443-S447 PolarHBondContact O-OG 3.36Å; T444-S447 PolarHBondContact O-N 3.13Å; T444-S447 PolarHBondContact O-OG 2.77Å; V445-S447 VanDerWaalsContact C-N 3.29Å; V445-S447 PolarHBondContact O-N 3.14Å; S447-G449 VanDerWaalsContact C-N 3.34Å |
| 448 | V | 78.9 | Confident | 78 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -77.4 | -24.9 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | T444 | T444-V448 HydrophobicContact CG2-CG2 4.3Å; T444-V448 WeakPolarHBondContact O-CG2 3.3Å; T444-V448 PolarHBondContact O-N 3.21Å |
| 449 | G | 72.1 | Confident | 78.1 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 43% | 0.433 | 43% | 0.427 | S | S | . | . | trans | 93.2 | 144.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V445 S447 | V445-G449 CarbonylContact O-C 3.56Å; V445-G449 PolarHBondContact O-N 3.36Å; S447-G449 VanDerWaalsContact C-N 3.34Å | ||
| 450 | L | 67.9 | Low | 78.2 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | trans | -69.5 | 145.9 | -177.9 | -77.7 | 156.9 | 0 | 0 | 0 | 111.9 | V445 T452 W460 Y464 | V445-L450 HydrophobicContact CG1-CD2 3.56Å; V445-L450 HydrophobicContact CG1-CG 4.14Å; L450-T452 PolarHBondContact O-N 3.21Å; L450-W460 HydrophobicContact CD1-CB 3.85Å; L450-W460 HydrophobicContact CD1-CG 4.3Å; L450-W460 HydrophobicContact CD2-CB 3.39Å; L450-W460 HydrophobicContact CD2-CG 4.03Å; L450-W460 HydrophobicContact CG-CB 4.21Å; L450-Y464 HydrophobicContact CD2-CE2 3.95Å | ||
| 451 | P | 61.5 | Low | 78.3 | Confident | 22 Ų | 22 | 65.2 Ų | 65.2 | 14% | 0.143 | 39% | 0.389 | C | S | . | . | trans | -59.9 | 99.4 | 172.2 | -17.1 | 28.5 | 0 | 0 | 0 | 110.3 | S423 P427 V453 | S423-P451 WeakPolarHBondContact O-CG 3.43Å; P427-P451 HydrophobicContact CG-CG 3.46Å; P427-P451 VanDerWaalsContact CG-CG 3.46Å; P451-V453 HydrophobicContact CB-CG2 4.43Å; P451-V453 PolarHBondContact O-N 3.28Å | ||
| 452 | T | 57.7 | Low | 78.6 | Confident | 127 Ų | 127 | 65.1 Ų | 65.1 | 78% | 0.779 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -78.5 | 6.2 | 175 | 30.2 | 0 | 0 | 0 | 0 | 112.6 | L450 A454 G455 | L450-T452 PolarHBondContact O-N 3.21Å; T452-A454 VanDerWaalsContact C-N 3.26Å; T452-A454 PolarHBondContact O-N 3.49Å; T452-A454 VanDerWaalsContact O-N 3.13Å; T452-G455 PolarHBondContact O-N 2.92Å |
| 453 | V | 55.3 | Low | 78.9 | Confident | 116 Ų | 116 | 65 Ų | 65 | 70% | 0.703 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.5 | -168 | -174.1 | 0 | 0 | 0 | 0 | 112.9 | P451 | P451-V453 HydrophobicContact CB-CG2 4.43Å; P451-V453 PolarHBondContact O-N 3.28Å |
| 454 | A | 60.4 | Low | 79.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -88.5 | -5.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L420 T452 V456 | L420-A454 HydrophobicContact CD1-CB 3.49Å; L420-A454 VanDerWaalsContact CD1-CB 3.49Å; T452-A454 VanDerWaalsContact C-N 3.26Å; T452-A454 PolarHBondContact O-N 3.49Å; T452-A454 VanDerWaalsContact O-N 3.13Å; A454-V456 HydrophobicContact CB-CG2 4.1Å; A454-V456 PolarHBondContact O-N 3.02Å; A454-V456 VanDerWaalsContact O-N 3.12Å |
| 455 | G | 70.5 | Confident | 79.6 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 62% | 0.619 | 36% | 0.358 | S | S | * | . | trans | 63.3 | 13.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T452 | T452-G455 PolarHBondContact O-N 2.92Š| ||
| 456 | V | 79.7 | Confident | 80.2 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | trans | -89.4 | 117.8 | 177.9 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | L386 A387 L420 A454 W460 | L386-V456 HydrophobicContact CB-CG1 3.91Å; L386-V456 HydrophobicContact CD1-CG1 4.16Å; L386-V456 HydrophobicContact CG-CG1 4.48Å; A387-V456 WeakPolarHBondContact O-CG1 3.38Å; L420-V456 HydrophobicContact CD1-CG2 4.35Å; A454-V456 HydrophobicContact CB-CG2 4.1Å; A454-V456 PolarHBondContact O-N 3.02Å; A454-V456 VanDerWaalsContact O-N 3.12Å; V456-W460 HydrophobicContact CB-CZ2 4.15Å; V456-W460 PolarHBondContact O-NE1 3.25Å | ||
| 457 | K | 83.6 | Confident | 80.7 | Confident | 173 Ų | 173 | 54.9 Ų | 54.9 | 75% | 0.752 | 34% | 0.342 | S | S | * | . | trans | -86 | 151.7 | 176.9 | -60.3 | -172.1 | 178 | -170.6 | 0 | 110 | A387 | A387-K457 WeakPolarHBondContact CA-O 3.25Å; A387-K457 WeakPolarHBondContact CB-O 3.16Å; A387-K457 PolarHBondContact N-O 2.97Å | ||
| 458 | G | 88.3 | Confident | 81.2 | Confident | 41 Ų | 41 | 51.1 Ų | 51.1 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | 156.8 | -175.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F385 W460 | F385-G458 CarbonylContact O-C 3.58Å; F385-G458 VanDerWaalsContact O-CA 3.24Å; F385-G458 WeakPolarHBondContact O-CA 3.46Å; G458-W460 PolarHBondContact O-N 2.86Å |
| 459 | D | 90.5 | Very high | 81.9 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | trans | -84.6 | 77.3 | 174.6 | 179.8 | 16.7 | 0 | 0 | 0 | 110.9 | F385 I461 G462 L463 | F385-D459 WeakPolarHBondContact CB-O 3.44Å; F385-D459 HydrophobicContact CD1-CB 4.16Å; F385-D459 PolarHBondContact O-N 2.81Å; D459-I461 PolarHBondContact O-N 2.69Å; D459-I461 PolarHBondContact OD1-N 3.44Å; D459-G462 PolarHBondContact O-N 2.87Å; D459-G462 PolarHBondContact OD1-N 3.07Å; D459-L463 PolarHBondContact O-N 2.88Å; D459-L463 VanDerWaalsContact O-N 3.14Å | ||
| 460 | W | 89.7 | Confident | 83 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.057 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -31.3 | 177.5 | -71.3 | 91.4 | 0 | 0 | 0 | 113 | L386 L420 F424 L450 V456 G458 L463 Y464 | L386-W460 HydrophobicContact CD1-CE3 4.42Å; L386-W460 HydrophobicContact CD1-CH2 3.96Å; L386-W460 HydrophobicContact CD1-CZ2 4.1Å; L386-W460 HydrophobicContact CD1-CZ3 4.11Å; L386-W460 HydrophobicContact CD2-CD2 3.71Å; L386-W460 HydrophobicContact CD2-CE3 4.21Å; L386-W460 HydrophobicContact CD2-CG 3.95Å; L386-W460 HydrophobicContact CD2-CZ2 4.19Å; L420-W460 HydrophobicContact CD1-CH2 3.74Å; F424-W460 HydrophobicContact CB-CZ3 4.25Å; F424-W460 AromaticContact CD2-CE3 3.95Å; F424-W460 HydrophobicContact CD2-CE3 3.95Å; F424-W460 AromaticContact CD2-CZ3 3.76Å; F424-W460 HydrophobicContact CD2-CZ3 3.76Å; F424-W460 HydrophobicContact CG-CZ3 4.46Å; L450-W460 HydrophobicContact CD1-CB 3.85Å; L450-W460 HydrophobicContact CD1-CG 4.3Å; L450-W460 HydrophobicContact CD2-CB 3.39Å; L450-W460 HydrophobicContact CD2-CG 4.03Å; L450-W460 HydrophobicContact CG-CB 4.21Å; V456-W460 HydrophobicContact CB-CZ2 4.15Å; V456-W460 PolarHBondContact O-NE1 3.25Å; G458-W460 PolarHBondContact O-N 2.86Å; W460-L463 HydrophobicContact CE3-CD2 4.44Å; W460-L463 WeakPolarHBondContact O-CB 3.44Å; W460-L463 PolarHBondContact O-N 3.32Å; W460-Y464 WeakPolarHBondContact O-CD2 3.34Å; W460-Y464 PolarHBondContact O-N 2.9Å |
| 461 | I | 90.9 | Very high | 84.2 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -45.9 | -179.7 | -67.8 | 158.7 | 0 | 0 | 0 | 109.7 | I442 E446 D459 L463 Y464 R465 | I442-I461 HydrophobicContact CD1-CG2 4.36Å; I442-I461 HydrophobicContact CG2-CG2 3.82Å; E446-I461 HydrophobicContact CG-CD1 3.65Å; E446-I461 HydrophobicContact CG-CG1 4.3Å; D459-I461 PolarHBondContact O-N 2.69Å; D459-I461 PolarHBondContact OD1-N 3.44Å; I461-L463 VanDerWaalsContact C-N 3.28Å; I461-L463 PolarHBondContact O-N 2.89Å; I461-Y464 PolarHBondContact O-N 2.87Å; I461-R465 WeakPolarHBondContact O-CG 3.42Å; I461-R465 PolarHBondContact O-N 2.84Å |
| 462 | G | 92.6 | Very high | 85.8 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -41.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F385 D459 R465 A466 | F385-G462 VanDerWaalsContact CE1-C 3.48Å; D459-G462 PolarHBondContact O-N 2.87Å; D459-G462 PolarHBondContact OD1-N 3.07Å; G462-R465 PolarHBondContact O-N 2.93Å; G462-A466 PolarHBondContact O-N 2.91Å |
| 463 | L | 94 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 176.6 | -176.9 | 61.8 | 0 | 0 | 0 | 112.8 | W261 E262 L265 L266 F385 L386 F424 D459 W460 I461 R465 A466 F467 | W261-L463 HydrophobicContact CH2-CD2 4.19Å; W261-L463 HydrophobicContact CZ3-CD2 3.91Å; E262-L463 HydrophobicContact CG-CD1 3.72Å; L265-L463 HydrophobicContact CD2-CD1 4.26Å; L265-L463 HydrophobicContact CD2-CD2 4.24Å; L265-L463 HydrophobicContact CD2-CG 4.42Å; L266-L463 HydrophobicContact CD1-CD1 4.04Å; L266-L463 HydrophobicContact CD2-CD1 4.03Å; L266-L463 HydrophobicContact CG-CD1 4.14Å; F385-L463 HydrophobicContact CB-CB 4Å; F385-L463 HydrophobicContact CD2-CB 4.2Å; F385-L463 HydrophobicContact CD2-CD1 3.94Å; F385-L463 HydrophobicContact CG-CB 4.1Å; L386-L463 HydrophobicContact CD1-CD2 3.82Å; L386-L463 HydrophobicContact CD2-CD2 4.39Å; L386-L463 HydrophobicContact CG-CD2 4Å; F424-L463 HydrophobicContact CD2-CD2 4.36Å; F424-L463 HydrophobicContact CE2-CD2 3.93Å; F424-L463 HydrophobicContact CE2-CG 3.99Å; F424-L463 HydrophobicContact CZ-CG 4.35Å; D459-L463 PolarHBondContact O-N 2.88Å; D459-L463 VanDerWaalsContact O-N 3.14Å; W460-L463 HydrophobicContact CE3-CD2 4.44Å; W460-L463 WeakPolarHBondContact O-CB 3.44Å; W460-L463 PolarHBondContact O-N 3.32Å; I461-L463 VanDerWaalsContact C-N 3.28Å; I461-L463 PolarHBondContact O-N 2.89Å; L463-R465 PolarHBondContact O-N 3.22Å; L463-A466 PolarHBondContact O-N 2.79Å; L463-F467 WeakPolarHBondContact O-CB 3.33Å; L463-F467 PolarHBondContact O-N 2.82Å |
| 464 | Y | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 176 | -82.1 | -60.8 | 0 | 0 | 0 | 112 | F424 L428 F441 V445 L450 W460 I461 A466 F467 C468 | F424-Y464 HydrophobicContact CD2-CD1 4.21Å; F424-Y464 AromaticContact CD2-CE1 3.55Å; F424-Y464 HydrophobicContact CD2-CE1 3.55Å; F424-Y464 HydrophobicContact CD2-CE2 4.44Å; F424-Y464 AromaticContact CD2-CZ 3.67Å; F424-Y464 HydrophobicContact CE1-CE1 4.32Å; F424-Y464 AromaticContact CE2-CD1 3.42Å; F424-Y464 HydrophobicContact CE2-CD1 3.42Å; F424-Y464 VanDerWaalsContact CE2-CD1 3.42Å; F424-Y464 HydrophobicContact CE2-CD2 4.42Å; F424-Y464 AromaticContact CE2-CE1 3.23Å; F424-Y464 HydrophobicContact CE2-CE1 3.23Å; F424-Y464 HydrophobicContact CE2-CE2 4.28Å; F424-Y464 HydrophobicContact CE2-CG 4.01Å; F424-Y464 AromaticContact CE2-CZ 3.69Å; F424-Y464 HydrophobicContact CG-CE1 4.25Å; F424-Y464 AromaticContact CZ-CD1 3.62Å; F424-Y464 HydrophobicContact CZ-CD1 3.62Å; F424-Y464 AromaticContact CZ-CE1 3.67Å; F424-Y464 HydrophobicContact CZ-CE1 3.67Å; F424-Y464 HydrophobicContact CZ-CG 4.46Å; F424-Y464 VanDerWaalsContact O-CE1 3.25Å; F424-Y464 WeakPolarHBondContact O-CE1 3.26Å; F424-Y464 PolarHBondContact O-OH 3.3Å; L428-Y464 HydrophobicContact CD1-CD1 4.4Å; L428-Y464 HydrophobicContact CD1-CE1 4.17Å; L428-Y464 HydrophobicContact CD2-CD1 4.41Å; L428-Y464 HydrophobicContact CG-CD1 4.43Å; L428-Y464 HydrophobicContact CG-CE1 4.14Å; F441-Y464 AromaticContact CE1-CD1 3.82Å; F441-Y464 HydrophobicContact CE1-CD1 3.82Å; F441-Y464 HydrophobicContact CE1-CD2 4.43Å; F441-Y464 HydrophobicContact CE1-CE1 4.37Å; F441-Y464 AromaticContact CE1-CG 3.88Å; F441-Y464 HydrophobicContact CE1-CG 3.88Å; F441-Y464 AromaticContact CZ-CD1 3.93Å; F441-Y464 HydrophobicContact CZ-CD1 3.93Å; F441-Y464 HydrophobicContact CZ-CE1 4Å; F441-Y464 HydrophobicContact CZ-CG 4.25Å; V445-Y464 HydrophobicContact CG1-CE2 4.38Å; L450-Y464 HydrophobicContact CD2-CE2 3.95Å; W460-Y464 WeakPolarHBondContact O-CD2 3.34Å; W460-Y464 PolarHBondContact O-N 2.9Å; I461-Y464 PolarHBondContact O-N 2.87Å; Y464-A466 PolarHBondContact O-N 3.37Å; Y464-F467 PolarHBondContact O-N 2.84Å; Y464-C468 PolarHBondContact O-N 3.37Å; Y464-C468 PolarHBondContact O-SG 3.34Å; Y464-C468 VanDerWaalsContact O-SG 3.36Å |
| 465 | R | 94.6 | Very high | 90.8 | Very high | 93 Ų | 93 | 48.6 Ų | 48.6 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | 177 | -69.8 | 179.9 | -172.4 | -78 | 1.6 | 111.1 | I442 I461 G462 L463 F467 C468 | I442-R465 HydrophobicContact CD1-CG 4.35Å; I442-R465 HydrophobicContact CG1-CG 4.43Å; I461-R465 WeakPolarHBondContact O-CG 3.42Å; I461-R465 PolarHBondContact O-N 2.84Å; G462-R465 PolarHBondContact O-N 2.93Å; L463-R465 PolarHBondContact O-N 3.22Å; R465-F467 PolarHBondContact O-N 2.74Å; R465-C468 PolarHBondContact O-N 2.75Å |
| 466 | A | 95.2 | Very high | 91.8 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L266 F385 G462 L463 Y464 C468 E469 T470 | L266-A466 HydrophobicContact CD1-CB 4.2Å; L266-A466 HydrophobicContact CD2-CB 3.72Å; F385-A466 HydrophobicContact CE2-CB 4.02Å; F385-A466 HydrophobicContact CZ-CB 4.22Å; G462-A466 PolarHBondContact O-N 2.91Å; L463-A466 PolarHBondContact O-N 2.79Å; Y464-A466 PolarHBondContact O-N 3.37Å; A466-C468 PolarHBondContact O-N 2.97Å; A466-E469 PolarHBondContact O-N 2.83Å; A466-T470 WeakPolarHBondContact O-CG2 3.38Å |
| 467 | F | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 179.7 | 177.7 | -117.2 | 0 | 0 | 0 | 112.4 | L265 L266 L294 F424 L425 L428 L463 Y464 R465 E469 T470 N472 F473 | L265-F467 HydrophobicContact CD1-CD2 3.87Å; L265-F467 HydrophobicContact CD1-CE2 3.66Å; L265-F467 HydrophobicContact CD1-CZ 4.37Å; L265-F467 HydrophobicContact CG-CD2 3.86Å; L265-F467 HydrophobicContact CG-CE2 4.17Å; L266-F467 HydrophobicContact CD2-CB 4.16Å; L294-F467 HydrophobicContact CD2-CE2 3.83Å; L294-F467 HydrophobicContact CD2-CZ 3.84Å; F424-F467 HydrophobicContact CE1-CB 4.3Å; F424-F467 AromaticContact CE1-CD1 3.51Å; F424-F467 HydrophobicContact CE1-CD1 3.51Å; F424-F467 HydrophobicContact CE1-CD2 4.22Å; F424-F467 AromaticContact CE1-CE1 3.77Å; F424-F467 HydrophobicContact CE1-CE1 3.77Å; F424-F467 HydrophobicContact CE1-CE2 4.46Å; F424-F467 AromaticContact CE1-CG 3.74Å; F424-F467 HydrophobicContact CE1-CG 3.74Å; F424-F467 HydrophobicContact CE1-CZ 4.26Å; F424-F467 HydrophobicContact CZ-CB 3.81Å; F424-F467 AromaticContact CZ-CD1 3.71Å; F424-F467 HydrophobicContact CZ-CD1 3.71Å; F424-F467 HydrophobicContact CZ-CE1 4.42Å; F424-F467 AromaticContact CZ-CG 3.78Å; F424-F467 HydrophobicContact CZ-CG 3.78Å; L425-F467 HydrophobicContact CD2-CE1 4.15Å; L425-F467 HydrophobicContact CD2-CZ 4.23Å; L428-F467 HydrophobicContact CD1-CD1 4.03Å; L428-F467 HydrophobicContact CD1-CE1 3.75Å; L463-F467 WeakPolarHBondContact O-CB 3.33Å; L463-F467 PolarHBondContact O-N 2.82Å; Y464-F467 PolarHBondContact O-N 2.84Å; R465-F467 PolarHBondContact O-N 2.74Å; F467-E469 PolarHBondContact O-N 2.76Å; F467-E469 VanDerWaalsContact O-N 3.11Å; F467-T470 WeakPolarHBondContact O-CB 3.26Å; F467-T470 WeakPolarHBondContact O-CG2 3.29Å; F467-T470 PolarHBondContact O-N 2.96Å; F467-T470 PolarHBondContact O-OG1 2.75Å; F467-N472 HydrophobicContact CE2-CB 3.9Å; F467-F473 HydrophobicContact CD1-CB 4.04Å; F467-F473 AromaticContact CD1-CD2 3.93Å; F467-F473 HydrophobicContact CD1-CD2 3.93Å; F467-F473 HydrophobicContact CD1-CG 4.33Å; F467-F473 HydrophobicContact CD2-CB 4.37Å; F467-F473 HydrophobicContact CE1-CB 3.8Å; F467-F473 AromaticContact CE1-CD2 3.58Å; F467-F473 HydrophobicContact CE1-CD2 3.58Å; F467-F473 HydrophobicContact CE1-CG 4.15Å; F467-F473 HydrophobicContact CE2-CB 4.13Å; F467-F473 HydrophobicContact CG-CB 4.34Å; F467-F473 HydrophobicContact CZ-CB 3.83Å; F467-F473 HydrophobicContact CZ-CD2 4.32Å; F467-F473 WeakPolarHBondContact O-CB 3.39Å |
| 468 | C | 93.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -15.1 | -179.7 | -72 | 0 | 0 | 0 | 0 | 114.1 | L438 Y464 R465 A466 F473 | L438-C468 HydrophobicContact CD1-CB 3.88Å; L438-C468 HydrophobicContact CD2-CB 4.39Å; Y464-C468 PolarHBondContact O-N 3.37Å; Y464-C468 PolarHBondContact O-SG 3.34Å; Y464-C468 VanDerWaalsContact O-SG 3.36Å; R465-C468 PolarHBondContact O-N 2.75Å; A466-C468 PolarHBondContact O-N 2.97Å; C468-F473 VanDerWaalsContact CA-CD1 3.49Å; C468-F473 HydrophobicContact CB-CD1 4.07Å; C468-F473 HydrophobicContact CB-CE1 4.08Å; C468-F473 HydrophobicContact CB-CG 4.42Å; C468-F473 HydrophobicContact CB-CZ 4.47Å; C468-F473 VanDerWaalsContact O-CD1 3.23Å; C468-F473 WeakPolarHBondContact O-CD1 3.29Å |
| 469 | E | 92.6 | Very high | 92.4 | Very high | 155 Ų | 155 | 47 Ų | 47 | 72% | 0.724 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4 | 175.1 | -64.7 | 177.5 | 179.4 | 0 | 0 | 113.1 | A466 F467 | A466-E469 PolarHBondContact O-N 2.83Å; F467-E469 PolarHBondContact O-N 2.76Å; F467-E469 VanDerWaalsContact O-N 3.11Å |
| 470 | T | 95.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -93.8 | 158.7 | -173 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | L266 Y298 A466 F467 N472 F473 Q474 | L266-T470 HydrophobicContact CD2-CG2 4.27Å; L266-T470 WeakPolarHBondContact O-CG2 3.42Å; Y298-T470 WeakPolarHBondContact OH-CA 3.37Å; Y298-T470 WeakPolarHBondContact OH-CB 3.34Å; A466-T470 WeakPolarHBondContact O-CG2 3.38Å; F467-T470 WeakPolarHBondContact O-CB 3.26Å; F467-T470 WeakPolarHBondContact O-CG2 3.29Å; F467-T470 PolarHBondContact O-N 2.96Å; F467-T470 PolarHBondContact O-OG1 2.75Å; T470-N472 VanDerWaalsContact C-N 3.27Å; T470-N472 PolarHBondContact O-N 3.08Å; T470-F473 PolarHBondContact O-N 3.08Å; T470-F473 PolarHBondContact OG1-N 3.1Å; T470-Q474 WeakPolarHBondContact O-CG 3.27Å; T470-Q474 PolarHBondContact O-N 2.67Å; T470-Q474 VanDerWaalsContact O-N 3.07Å |
| 471 | K | 93.9 | Very high | 91.8 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 52% | 0.517 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.3 | -32.9 | 170.9 | -65.7 | -173.3 | -178.8 | 178.6 | 0 | 112.6 | C297 Y298 F473 Q474 F475 | C297-K471 HydrophobicContact CB-CB 4.22Å; Y298-K471 HydrophobicContact CD1-CB 4.45Å; Y298-K471 HydrophobicContact CD1-CD 3.91Å; Y298-K471 HydrophobicContact CD1-CG 4.4Å; Y298-K471 HydrophobicContact CD2-CB 4.45Å; Y298-K471 HydrophobicContact CE1-CB 3.95Å; Y298-K471 HydrophobicContact CE1-CD 3.66Å; Y298-K471 HydrophobicContact CE1-CG 3.74Å; Y298-K471 HydrophobicContact CE2-CB 3.89Å; Y298-K471 PolarHBondContact OH-N 2.81Å; K471-F473 VanDerWaalsContact C-N 3.31Å; K471-F473 PolarHBondContact O-N 3.15Å; K471-Q474 PolarHBondContact O-N 2.99Å; K471-F475 WeakPolarHBondContact O-CB 3.47Å; K471-F475 PolarHBondContact O-N 3.17Å |
| 472 | N | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 176.3 | -68.8 | -20 | 0 | 0 | 0 | 110.5 | V264 L265 L294 C297 Y298 F467 T470 W476 | V264-N472 PolarHBondContact O-ND2 3.47Å; L265-N472 PolarHBondContact O-ND2 3.33Å; L294-N472 HydrophobicContact CD2-CB 4.29Å; C297-N472 WeakPolarHBondContact CB-OD1 3.44Å; C297-N472 PolarHBondContact N-OD1 2.85Å; Y298-N472 WeakPolarHBondContact CD2-OD1 3.29Å; F467-N472 HydrophobicContact CE2-CB 3.9Å; T470-N472 VanDerWaalsContact C-N 3.27Å; T470-N472 PolarHBondContact O-N 3.08Å; N472-W476 VanDerWaalsContact O-CB 3.27Å; N472-W476 WeakPolarHBondContact O-CB 3.39Å; N472-W476 PolarHBondContact O-N 3.17Å; N472-W476 VanDerWaalsContact O-N 3.1Å |
| 473 | F | 94.8 | Very high | 90.7 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.2 | -47.1 | 175.6 | 173.9 | -105 | 0 | 0 | 0 | 112.6 | L428 F436 F467 C468 T470 K471 F475 W476 L477 | L428-F473 HydrophobicContact CD1-CE2 4.48Å; L428-F473 HydrophobicContact CD2-CE2 4.2Å; F436-F473 HydrophobicContact CD1-CE1 4.05Å; F436-F473 AromaticContact CD1-CZ 3.57Å; F436-F473 HydrophobicContact CD1-CZ 3.57Å; F436-F473 HydrophobicContact CD2-CZ 4.19Å; F436-F473 AromaticContact CE1-CE1 3.97Å; F436-F473 HydrophobicContact CE1-CE1 3.97Å; F436-F473 HydrophobicContact CE1-CE2 4.29Å; F436-F473 AromaticContact CE1-CZ 3.39Å; F436-F473 HydrophobicContact CE1-CZ 3.39Å; F436-F473 HydrophobicContact CE2-CE2 4.38Å; F436-F473 HydrophobicContact CE2-CZ 4.05Å; F436-F473 AromaticContact CG-CZ 3.97Å; F436-F473 HydrophobicContact CG-CZ 3.97Å; F436-F473 HydrophobicContact CZ-CE2 4.12Å; F436-F473 AromaticContact CZ-CZ 3.65Å; F436-F473 HydrophobicContact CZ-CZ 3.65Å; F467-F473 HydrophobicContact CD1-CB 4.04Å; F467-F473 AromaticContact CD1-CD2 3.93Å; F467-F473 HydrophobicContact CD1-CD2 3.93Å; F467-F473 HydrophobicContact CD1-CG 4.33Å; F467-F473 HydrophobicContact CD2-CB 4.37Å; F467-F473 HydrophobicContact CE1-CB 3.8Å; F467-F473 AromaticContact CE1-CD2 3.58Å; F467-F473 HydrophobicContact CE1-CD2 3.58Å; F467-F473 HydrophobicContact CE1-CG 4.15Å; F467-F473 HydrophobicContact CE2-CB 4.13Å; F467-F473 HydrophobicContact CG-CB 4.34Å; F467-F473 HydrophobicContact CZ-CB 3.83Å; F467-F473 HydrophobicContact CZ-CD2 4.32Å; F467-F473 WeakPolarHBondContact O-CB 3.39Å; C468-F473 VanDerWaalsContact CA-CD1 3.49Å; C468-F473 HydrophobicContact CB-CD1 4.07Å; C468-F473 HydrophobicContact CB-CE1 4.08Å; C468-F473 HydrophobicContact CB-CG 4.42Å; C468-F473 HydrophobicContact CB-CZ 4.47Å; C468-F473 VanDerWaalsContact O-CD1 3.23Å; C468-F473 WeakPolarHBondContact O-CD1 3.29Å; T470-F473 PolarHBondContact O-N 3.08Å; T470-F473 PolarHBondContact OG1-N 3.1Å; K471-F473 VanDerWaalsContact C-N 3.31Å; K471-F473 PolarHBondContact O-N 3.15Å; F473-F475 VanDerWaalsContact C-N 3.31Å; F473-F475 PolarHBondContact O-N 3.2Å; F473-W476 AromaticContact CD2-CE3 3.89Å; F473-W476 HydrophobicContact CD2-CE3 3.89Å; F473-W476 HydrophobicContact CD2-CZ3 4.29Å; F473-W476 AromaticContact CE2-CE3 3.83Å; F473-W476 HydrophobicContact CE2-CE3 3.83Å; F473-W476 AromaticContact CE2-CZ3 3.79Å; F473-W476 HydrophobicContact CE2-CZ3 3.79Å; F473-W476 PolarHBondContact O-N 3.17Å; F473-W476 VanDerWaalsContact O-N 3.16Å; F473-L477 HydrophobicContact CE1-CB 4.41Å; F473-L477 HydrophobicContact CE1-CD2 3.95Å; F473-L477 HydrophobicContact CE2-CB 4.45Å; F473-L477 HydrophobicContact CZ-CB 4.21Å; F473-L477 HydrophobicContact CZ-CD2 3.95Å; F473-L477 HydrophobicContact CZ-CG 4.49Å; F473-L477 WeakPolarHBondContact O-CB 3.43Å; F473-L477 PolarHBondContact O-N 3.23Å |
| 474 | Q | 92.4 | Very high | 90 | Very high | 114 Ų | 114 | 55.7 Ų | 55.7 | 53% | 0.533 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | -179.3 | -71.4 | 172.9 | 0.1 | 0 | 0 | 111.8 | T470 K471 L477 Q478 | T470-Q474 WeakPolarHBondContact O-CG 3.27Å; T470-Q474 PolarHBondContact O-N 2.67Å; T470-Q474 VanDerWaalsContact O-N 3.07Å; K471-Q474 PolarHBondContact O-N 2.99Å; Q474-L477 PolarHBondContact O-N 2.91Å; Q474-Q478 WeakPolarHBondContact O-CB 3.44Å; Q474-Q478 PolarHBondContact O-N 3.19Å |
| 475 | F | 91.5 | Very high | 89.4 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 20% | 0.202 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.7 | -178.8 | -94.3 | 0 | 0 | 0 | 111.7 | F101 R295 C297 K471 F473 L477 Q478 R479 | F101-F475 HydrophobicContact CB-CE1 4.47Å; R295-F475 HydrophobicContact CB-CD1 4.37Å; R295-F475 HydrophobicContact CB-CE1 4.11Å; R295-F475 VanDerWaalsContact CD-CE1 3.49Å; R295-F475 HydrophobicContact CG-CE1 4.37Å; C297-F475 HydrophobicContact CB-CB 4.42Å; C297-F475 WeakPolarHBondContact SG-CB 3.33Å; C297-F475 VanDerWaalsContact SG-CD1 3.55Å; C297-F475 WeakPolarHBondContact SG-CG 3.27Å; K471-F475 WeakPolarHBondContact O-CB 3.47Å; K471-F475 PolarHBondContact O-N 3.17Å; F473-F475 VanDerWaalsContact C-N 3.31Å; F473-F475 PolarHBondContact O-N 3.2Å; F475-L477 PolarHBondContact O-N 3.38Å; F475-Q478 PolarHBondContact O-N 3.18Å; F475-R479 HydrophobicContact CD1-CG 4.15Å; F475-R479 HydrophobicContact CE1-CG 3.77Å; F475-R479 HydrophobicContact CE2-CG 4.47Å; F475-R479 HydrophobicContact CZ-CG 3.97Å; F475-R479 VanDerWaalsContact CZ-NE 3.25Å; F475-R479 WeakPolarHBondContact O-CG 3.49Å; F475-R479 PolarHBondContact O-N 2.99Å |
| 476 | W | 91.2 | Very high | 88.6 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 177.1 | 173.5 | 88.2 | 0 | 0 | 0 | 111.9 | L294 L428 E429 N472 F473 R479 Q480 | L294-W476 HydrophobicContact CD1-CB 3.83Å; L294-W476 HydrophobicContact CD1-CG 3.94Å; L428-W476 HydrophobicContact CB-CH2 3.35Å; L428-W476 HydrophobicContact CB-CZ2 4.03Å; L428-W476 HydrophobicContact CB-CZ3 3.83Å; L428-W476 HydrophobicContact CD1-CZ3 4.46Å; L428-W476 WeakPolarHBondContact O-CH2 3.36Å; E429-W476 HydrophobicContact CG-CZ2 4.01Å; N472-W476 VanDerWaalsContact O-CB 3.27Å; N472-W476 WeakPolarHBondContact O-CB 3.39Å; N472-W476 PolarHBondContact O-N 3.17Å; N472-W476 VanDerWaalsContact O-N 3.1Å; F473-W476 AromaticContact CD2-CE3 3.89Å; F473-W476 HydrophobicContact CD2-CE3 3.89Å; F473-W476 HydrophobicContact CD2-CZ3 4.29Å; F473-W476 AromaticContact CE2-CE3 3.83Å; F473-W476 HydrophobicContact CE2-CE3 3.83Å; F473-W476 AromaticContact CE2-CZ3 3.79Å; F473-W476 HydrophobicContact CE2-CZ3 3.79Å; F473-W476 PolarHBondContact O-N 3.17Å; F473-W476 VanDerWaalsContact O-N 3.16Å; W476-R479 PolarHBondContact O-N 3.27Å; W476-Q480 HydrophobicContact CD2-CG 4.14Å; W476-Q480 HydrophobicContact CH2-CG 4.06Å; W476-Q480 HydrophobicContact CZ2-CG 3.73Å; W476-Q480 HydrophobicContact CZ3-CG 4.46Å; W476-Q480 WeakPolarHBondContact O-CG 3.42Å; W476-Q480 PolarHBondContact O-N 3.01Å |
| 477 | L | 90.1 | Very high | 87.9 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 179.3 | 177.6 | 63.8 | 0 | 0 | 0 | 111.3 | F436 F473 Q474 F475 R479 Q480 Q481 | F436-L477 HydrophobicContact CB-CD1 3.95Å; F436-L477 HydrophobicContact CB-CD2 3.81Å; F436-L477 HydrophobicContact CG-CD1 4.41Å; F436-L477 HydrophobicContact CG-CD2 4.31Å; F473-L477 HydrophobicContact CE1-CB 4.41Å; F473-L477 HydrophobicContact CE1-CD2 3.95Å; F473-L477 HydrophobicContact CE2-CB 4.45Å; F473-L477 HydrophobicContact CZ-CB 4.21Å; F473-L477 HydrophobicContact CZ-CD2 3.95Å; F473-L477 HydrophobicContact CZ-CG 4.49Å; F473-L477 WeakPolarHBondContact O-CB 3.43Å; F473-L477 PolarHBondContact O-N 3.23Å; Q474-L477 PolarHBondContact O-N 2.91Å; F475-L477 PolarHBondContact O-N 3.38Å; L477-R479 VanDerWaalsContact C-N 3.27Å; L477-R479 PolarHBondContact O-N 3.33Å; L477-Q480 PolarHBondContact O-N 3.37Å; L477-Q481 HydrophobicContact CD1-CG 4.39Å; L477-Q481 WeakPolarHBondContact O-CG 3.46Å; L477-Q481 PolarHBondContact O-N 2.89Å |
| 478 | Q | 88.4 | Confident | 87.2 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 60% | 0.598 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 177.7 | -173.9 | -177.1 | 12.7 | 0 | 0 | 111.6 | Q474 F475 L482 | Q474-Q478 WeakPolarHBondContact O-CB 3.44Å; Q474-Q478 PolarHBondContact O-N 3.19Å; F475-Q478 PolarHBondContact O-N 3.18Å; Q478-L482 WeakPolarHBondContact O-CB 3.35Å; Q478-L482 PolarHBondContact O-N 3.1Å |
| 479 | R | 85.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 25% | 0.253 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 175.9 | -70.8 | -61.2 | -167.6 | 177 | 8.6 | 111.9 | F101 E104 F475 W476 L477 Q481 L482 E483 | F101-R479 HydrophobicContact CD1-CG 4.33Å; F101-R479 HydrophobicContact CE1-CB 4.41Å; F101-R479 HydrophobicContact CE1-CG 4.16Å; F101-R479 HydrophobicContact CE2-CB 4.17Å; F101-R479 HydrophobicContact CZ-CB 4.03Å; F101-R479 HydrophobicContact CZ-CG 4.28Å; E104-R479 VanDerWaalsContact CD-NH2 3.27Å; E104-R479 IonicContact OE1-CZ 3.97Å; E104-R479 IonicContact OE1-NH2 2.89Å; E104-R479 PolarHBondContact OE1-NH2 3.03Å; E104-R479 IonicContact OE2-CZ 2.91Å; E104-R479 IonicContact OE2-NH2 2.9Å; E104-R479 PolarHBondContact OE2-NH2 3.39Å; F475-R479 HydrophobicContact CD1-CG 4.15Å; F475-R479 HydrophobicContact CE1-CG 3.77Å; F475-R479 HydrophobicContact CE2-CG 4.47Å; F475-R479 HydrophobicContact CZ-CG 3.97Å; F475-R479 VanDerWaalsContact CZ-NE 3.25Å; F475-R479 WeakPolarHBondContact O-CG 3.49Å; F475-R479 PolarHBondContact O-N 2.99Å; W476-R479 PolarHBondContact O-N 3.27Å; L477-R479 VanDerWaalsContact C-N 3.27Å; L477-R479 PolarHBondContact O-N 3.33Å; R479-Q481 PolarHBondContact O-N 3.42Å; R479-L482 PolarHBondContact O-N 3.17Å; R479-E483 WeakPolarHBondContact O-CG 3.47Å; R479-E483 PolarHBondContact O-N 2.87Å |
| 480 | Q | 83.8 | Confident | 86 | Confident | 55 Ų | 55 | 68.2 Ų | 68.2 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.7 | -70.2 | -66.1 | -4.4 | 0 | 0 | 112.2 | W476 L477 E483 A484 | W476-Q480 HydrophobicContact CD2-CG 4.14Å; W476-Q480 HydrophobicContact CH2-CG 4.06Å; W476-Q480 HydrophobicContact CZ2-CG 3.73Å; W476-Q480 HydrophobicContact CZ3-CG 4.46Å; W476-Q480 WeakPolarHBondContact O-CG 3.42Å; W476-Q480 PolarHBondContact O-N 3.01Å; L477-Q480 PolarHBondContact O-N 3.37Å; Q480-E483 PolarHBondContact O-N 3.41Å; Q480-A484 WeakPolarHBondContact O-CB 3.36Å; Q480-A484 PolarHBondContact O-N 3.24Å |
| 481 | Q | 83.9 | Confident | 85.4 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 175.4 | -72.9 | 174.8 | -38.5 | 0 | 0 | 111.6 | P434 L477 R479 E483 A484 D485 | P434-Q481 PolarHBondContact O-NE2 2.74Å; L477-Q481 HydrophobicContact CD1-CG 4.39Å; L477-Q481 WeakPolarHBondContact O-CG 3.46Å; L477-Q481 PolarHBondContact O-N 2.89Å; R479-Q481 PolarHBondContact O-N 3.42Å; Q481-E483 PolarHBondContact O-N 2.93Å; Q481-A484 PolarHBondContact O-N 2.94Å; Q481-D485 WeakPolarHBondContact O-CB 3.49Å; Q481-D485 PolarHBondContact O-N 3.39Å |
| 482 | L | 81.4 | Confident | 84.8 | Confident | 83 Ų | 83 | 72.5 Ų | 72.5 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 177.2 | -177.9 | 67 | 0 | 0 | 0 | 112.1 | Q478 R479 D485 I486 | Q478-L482 WeakPolarHBondContact O-CB 3.35Å; Q478-L482 PolarHBondContact O-N 3.1Å; R479-L482 PolarHBondContact O-N 3.17Å; L482-D485 PolarHBondContact O-N 2.87Å; L482-I486 HydrophobicContact CD1-CD1 4.23Å; L482-I486 HydrophobicContact CG-CD1 3.96Å; L482-I486 WeakPolarHBondContact O-CB 3.5Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.24Å; L482-I486 PolarHBondContact O-N 3.29Å |
| 483 | E | 79.2 | Confident | 84.2 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 176.7 | -74 | -168.1 | 157.4 | 0 | 0 | 112.1 | F101 R199 R479 Q480 Q481 K487 | F101-E483 HydrophobicContact CZ-CG 4.5Å; F101-E483 VanDerWaalsContact CZ-OE1 3.27Å; F101-E483 WeakPolarHBondContact CZ-OE1 3.02Å; R199-E483 WeakPolarHBondContact CD-OE1 3.5Å; R199-E483 IonicContact NE-OE1 3.74Å; R479-E483 WeakPolarHBondContact O-CG 3.47Å; R479-E483 PolarHBondContact O-N 2.87Å; Q480-E483 PolarHBondContact O-N 3.41Å; Q481-E483 PolarHBondContact O-N 2.93Å; E483-K487 VanDerWaalsContact O-CB 3.3Å; E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 PolarHBondContact O-N 3.21Å |
| 484 | A | 79.8 | Confident | 83.6 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q480 Q481 K487 L488 | Q480-A484 WeakPolarHBondContact O-CB 3.36Å; Q480-A484 PolarHBondContact O-N 3.24Å; Q481-A484 PolarHBondContact O-N 2.94Å; A484-K487 PolarHBondContact O-N 3.39Å; A484-L488 WeakPolarHBondContact O-CB 3.41Å; A484-L488 WeakPolarHBondContact O-CG 3.4Å; A484-L488 PolarHBondContact O-N 3.49Å |
| 485 | D | 80.3 | Confident | 83.1 | Confident | 88 Ų | 88 | 73.9 Ų | 73.9 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 177.6 | -80.6 | -12.1 | 0 | 0 | 0 | 112 | Q481 L482 K487 L488 R489 | Q481-D485 WeakPolarHBondContact O-CB 3.49Å; Q481-D485 PolarHBondContact O-N 3.39Å; L482-D485 PolarHBondContact O-N 2.87Å; D485-K487 VanDerWaalsContact C-N 3.33Å; D485-K487 PolarHBondContact O-N 2.98Å; D485-L488 PolarHBondContact O-N 2.79Å; D485-R489 WeakPolarHBondContact O-CB 3.36Å; D485-R489 WeakPolarHBondContact O-CG 3.36Å; D485-R489 PolarHBondContact O-N 3.42Å |
| 486 | I | 77.4 | Confident | 82.4 | Confident | 43 Ų | 43 | 72.5 Ų | 72.5 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60 | -46.4 | 175.2 | -72.5 | 167.8 | 0 | 0 | 0 | 110 | L482 L488 R489 L490 I533 | L482-I486 HydrophobicContact CD1-CD1 4.23Å; L482-I486 HydrophobicContact CG-CD1 3.96Å; L482-I486 WeakPolarHBondContact O-CB 3.5Å; L482-I486 VanDerWaalsContact O-CG1 3.24Å; L482-I486 WeakPolarHBondContact O-CG1 3.24Å; L482-I486 PolarHBondContact O-N 3.29Å; I486-L488 PolarHBondContact O-N 2.9Å; I486-R489 PolarHBondContact O-N 3.4Å; I486-L490 HydrophobicContact CG2-CD1 4.42Å; I486-L490 WeakPolarHBondContact O-CG 3.44Å; I486-L490 PolarHBondContact O-N 3.32Å; I486-I533 HydrophobicContact CD1-CD1 4.22Å; I486-I533 HydrophobicContact CG2-CD1 4.09Å; I486-I533 HydrophobicContact CG2-CG2 3.76Å |
| 487 | K | 79.5 | Confident | 81.6 | Confident | 142 Ų | 142 | 71.8 Ų | 71.8 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | 179.9 | -169.5 | 174.7 | -176.9 | 177.5 | 0 | 112.1 | E483 A484 D485 L490 L491 | E483-K487 VanDerWaalsContact O-CB 3.3Å; E483-K487 WeakPolarHBondContact O-CB 3.34Å; E483-K487 PolarHBondContact O-N 3.21Å; A484-K487 PolarHBondContact O-N 3.39Å; D485-K487 VanDerWaalsContact C-N 3.33Å; D485-K487 PolarHBondContact O-N 2.98Å; K487-L490 PolarHBondContact O-N 3.24Å; K487-L491 WeakPolarHBondContact O-CG 3.39Å; K487-L491 PolarHBondContact O-N 2.72Å |
| 488 | L | 81.9 | Confident | 81.1 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 57% | 0.571 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.6 | -42.9 | 173.8 | -81.1 | 162.3 | 0 | 0 | 0 | 111.7 | A484 D485 I486 L491 H492 | A484-L488 WeakPolarHBondContact O-CB 3.41Å; A484-L488 WeakPolarHBondContact O-CG 3.4Å; A484-L488 PolarHBondContact O-N 3.49Å; D485-L488 PolarHBondContact O-N 2.79Å; I486-L488 PolarHBondContact O-N 2.9Å; L488-L491 PolarHBondContact O-N 3.05Å; L488-H492 WeakPolarHBondContact O-CB 3.32Å; L488-H492 PolarHBondContact O-N 3.33Å |
| 489 | R | 80.7 | Confident | 80.4 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 50% | 0.502 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.7 | -74.5 | -178.9 | -175.2 | -164 | 2.2 | 112.1 | D485 I486 H492 L493 F526 | D485-R489 WeakPolarHBondContact O-CB 3.36Å; D485-R489 WeakPolarHBondContact O-CG 3.36Å; D485-R489 PolarHBondContact O-N 3.42Å; I486-R489 PolarHBondContact O-N 3.4Å; R489-H492 PolarHBondContact O-N 3.12Å; R489-L493 WeakPolarHBondContact O-CG 3.49Å; R489-L493 PolarHBondContact O-N 2.94Å; R489-F526 HydrophobicContact CB-CE1 4.04Å; R489-F526 HydrophobicContact CB-CZ 4.16Å |
| 490 | L | 80.4 | Confident | 79.8 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 174.3 | -78.1 | 174.9 | 0 | 0 | 0 | 112 | I486 K487 H492 L493 E494 I533 V534 | I486-L490 HydrophobicContact CG2-CD1 4.42Å; I486-L490 WeakPolarHBondContact O-CG 3.44Å; I486-L490 PolarHBondContact O-N 3.32Å; K487-L490 PolarHBondContact O-N 3.24Å; L490-H492 PolarHBondContact O-N 2.99Å; L490-L493 WeakPolarHBondContact O-CB 3.46Å; L490-L493 PolarHBondContact O-N 3.43Å; L490-L493 VanDerWaalsContact O-N 3.12Å; L490-E494 WeakPolarHBondContact O-CG 3.46Å; L490-E494 PolarHBondContact O-N 3.22Å; L490-I533 HydrophobicContact CD1-CG2 3.64Å; L490-I533 HydrophobicContact CD2-CG2 4.15Å; L490-I533 HydrophobicContact CG-CG2 4.13Å; L490-V534 HydrophobicContact CD2-CG2 3.89Å |
| 491 | L | 83.1 | Confident | 79.1 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60 | -36.9 | 176.8 | -72 | 169.9 | 0 | 0 | 0 | 112 | K487 L488 E494 A495 | K487-L491 WeakPolarHBondContact O-CG 3.39Å; K487-L491 PolarHBondContact O-N 2.72Å; L488-L491 PolarHBondContact O-N 3.05Å; L491-E494 PolarHBondContact O-N 2.92Å; L491-A495 WeakPolarHBondContact O-CB 3.49Å; L491-A495 PolarHBondContact O-N 3.41Å |
| 492 | H | 81.2 | Confident | 78.4 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 57% | 0.574 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 175 | -174.9 | -156.6 | 0 | 0 | 0 | 112 | L488 R489 L490 E494 A495 I496 | L488-H492 WeakPolarHBondContact O-CB 3.32Å; L488-H492 PolarHBondContact O-N 3.33Å; R489-H492 PolarHBondContact O-N 3.12Å; L490-H492 PolarHBondContact O-N 2.99Å; H492-E494 VanDerWaalsContact C-N 3.35Å; H492-A495 PolarHBondContact O-N 3.41Å; H492-I496 VanDerWaalsContact O-CG1 3.31Å; H492-I496 WeakPolarHBondContact O-CG1 3.48Å; H492-I496 PolarHBondContact O-N 3.5Å |
| 493 | L | 81.3 | Confident | 77.8 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.7 | -71.5 | 168 | 0 | 0 | 0 | 111.9 | R489 L490 I496 A497 A523 F526 A527 V534 L538 I542 | R489-L493 WeakPolarHBondContact O-CG 3.49Å; R489-L493 PolarHBondContact O-N 2.94Å; L490-L493 WeakPolarHBondContact O-CB 3.46Å; L490-L493 PolarHBondContact O-N 3.43Å; L490-L493 VanDerWaalsContact O-N 3.12Å; L493-I496 PolarHBondContact O-N 3.21Å; L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 3.47Å; L493-A523 HydrophobicContact CD2-CB 3.75Å; L493-F526 HydrophobicContact CD1-CD1 4.01Å; L493-F526 HydrophobicContact CD1-CE1 4.09Å; L493-A527 HydrophobicContact CD1-CB 4.49Å; L493-V534 HydrophobicContact CD1-CG1 4.45Å; L493-V534 HydrophobicContact CD1-CG2 4.07Å; L493-L538 HydrophobicContact CB-CD2 3.54Å; L493-L538 HydrophobicContact CD1-CD2 4.22Å; L493-L538 HydrophobicContact CG-CD2 4.49Å; L493-I542 HydrophobicContact CB-CD1 4.21Å; L493-I542 HydrophobicContact CD2-CD1 3.65Å; L493-I542 HydrophobicContact CG-CD1 4.49Å |
| 494 | E | 82 | Confident | 77.3 | Confident | 88 Ų | 88 | 75 Ų | 75 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 173.3 | -74.6 | 173 | 177.3 | 0 | 0 | 111.5 | L490 L491 H492 I496 A497 E498 L538 | L490-E494 WeakPolarHBondContact O-CG 3.46Å; L490-E494 PolarHBondContact O-N 3.22Å; L491-E494 PolarHBondContact O-N 2.92Å; H492-E494 VanDerWaalsContact C-N 3.35Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.16Å; E494-A497 PolarHBondContact O-N 3.01Å; E494-E498 WeakPolarHBondContact O-CG 3.45Å; E494-E498 PolarHBondContact O-N 2.9Å; E494-L538 HydrophobicContact CB-CD1 4.31Å; E494-L538 HydrophobicContact CG-CD1 3.51Å; E494-L538 HydrophobicContact CG-CD2 4.42Å |
| 495 | A | 82 | Confident | 76.9 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 47% | 0.471 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L491 H492 A499 | L491-A495 WeakPolarHBondContact O-CB 3.49Å; L491-A495 PolarHBondContact O-N 3.41Å; H492-A495 PolarHBondContact O-N 3.41Å; A495-A499 WeakPolarHBondContact O-CB 3.37Å; A495-A499 PolarHBondContact O-N 3.43Å |
| 496 | I | 77.6 | Confident | 76.5 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 9% | 0.092 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 175.5 | -65.8 | 164.6 | 0 | 0 | 0 | 110.6 | H492 L493 E494 E498 A499 L520 A523 | H492-I496 VanDerWaalsContact O-CG1 3.31Å; H492-I496 WeakPolarHBondContact O-CG1 3.48Å; H492-I496 PolarHBondContact O-N 3.5Å; L493-I496 PolarHBondContact O-N 3.21Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.16Å; I496-E498 PolarHBondContact O-N 3.08Å; I496-A499 PolarHBondContact O-N 3.03Å; I496-A499 VanDerWaalsContact O-N 3.17Å; I496-L520 HydrophobicContact CG2-CD1 4.21Å; I496-L520 HydrophobicContact CG2-CD2 4.18Å; I496-L520 HydrophobicContact CG2-CG 4.04Å; I496-A523 HydrophobicContact CD1-CB 4.43Å |
| 497 | A | 75.2 | Confident | 76.5 | Confident | 7 Ų | 7 | 78.1 Ų | 78.1 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65 | -24.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L493 E494 L538 R541 I542 | L493-A497 WeakPolarHBondContact O-CB 3.41Å; L493-A497 PolarHBondContact O-N 3.47Å; E494-A497 PolarHBondContact O-N 3.01Å; A497-L538 HydrophobicContact CB-CD1 4.32Å; A497-R541 HydrophobicContact CB-CB 4.14Å; A497-I542 HydrophobicContact CB-CG1 4.05Å |
| 498 | E | 79.6 | Confident | 76.4 | Confident | 139 Ų | 139 | 76.1 Ų | 76.1 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -91.3 | -14.3 | 176.1 | -69.1 | -172.4 | 167.7 | 0 | 0 | 114.1 | E494 I496 | E494-E498 WeakPolarHBondContact O-CG 3.45Å; E494-E498 PolarHBondContact O-N 2.9Å; I496-E498 PolarHBondContact O-N 3.08Å |
| 499 | A | 73.6 | Confident | 76.5 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 28% | 0.281 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -73 | 137.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A495 I496 L501 | A495-A499 WeakPolarHBondContact O-CB 3.37Å; A495-A499 PolarHBondContact O-N 3.43Å; I496-A499 PolarHBondContact O-N 3.03Å; I496-A499 VanDerWaalsContact O-N 3.17Å; A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 HydrophobicContact CB-CD1 3.97Å; A499-L501 VanDerWaalsContact O-CD1 3.24Å; A499-L501 WeakPolarHBondContact O-CD1 3.27Å; A499-L501 PolarHBondContact O-N 2.8Å |
| 500 | P | 72.7 | Confident | 76 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | trans | -78.2 | 78.4 | 172.8 | 32.4 | -33.1 | 0 | 0 | 0 | 110 | T502 D503 T504 | P500-T502 VanDerWaalsContact C-N 3.3Å; P500-T502 PolarHBondContact O-N 3.37Å; P500-D503 PolarHBondContact O-N 2.97Å; P500-T504 WeakPolarHBondContact O-CB 3.38Å; P500-T504 PolarHBondContact O-N 3.27Å; P500-T504 VanDerWaalsContact O-N 3.1Å; P500-T504 PolarHBondContact O-OG1 2.83Å | ||
| 501 | L | 68.4 | Low | 75.5 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 10% | 0.099 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -54.5 | -43.2 | -173.3 | -92 | 70.6 | 0 | 0 | 0 | 113.5 | A499 D503 T504 L505 F516 L520 Q545 | A499-L501 VanDerWaalsContact C-N 3.29Å; A499-L501 HydrophobicContact CB-CD1 3.97Å; A499-L501 VanDerWaalsContact O-CD1 3.24Å; A499-L501 WeakPolarHBondContact O-CD1 3.27Å; A499-L501 PolarHBondContact O-N 2.8Å; L501-D503 PolarHBondContact O-N 2.99Å; L501-T504 PolarHBondContact O-N 2.9Å; L501-L505 HydrophobicContact CB-CD1 4.17Å; L501-L505 HydrophobicContact CD2-CD1 4.36Å; L501-L505 HydrophobicContact CG-CD1 4.43Å; L501-L505 VanDerWaalsContact O-CB 3.24Å; L501-L505 WeakPolarHBondContact O-CB 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.29Å; L501-L505 PolarHBondContact O-N 3.41Å; L501-F516 HydrophobicContact CD1-CE1 4.38Å; L501-F516 HydrophobicContact CD1-CZ 4.35Å; L501-F516 HydrophobicContact CD2-CE1 3.55Å; L501-F516 HydrophobicContact CD2-CZ 4.3Å; L501-F516 HydrophobicContact CG-CE1 3.63Å; L501-F516 HydrophobicContact CG-CZ 4.03Å; L501-L520 HydrophobicContact CD2-CD1 3.63Å; L501-Q545 HydrophobicContact CD2-CB 4.24Å |
| 502 | T | 68.4 | Low | 75.2 | Confident | 120 Ų | 120 | 80.9 Ų | 80.9 | 74% | 0.736 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62 | -46.5 | -172.8 | -32.9 | 0 | 0 | 0 | 0 | 111.3 | P500 S506 | P500-T502 VanDerWaalsContact C-N 3.3Å; P500-T502 PolarHBondContact O-N 3.37Å; T502-S506 WeakPolarHBondContact O-CB 3.45Å; T502-S506 PolarHBondContact O-N 3.22Å |
| 503 | D | 68.9 | Low | 74.8 | Confident | 119 Ų | 119 | 76.6 Ų | 76.6 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 177.4 | -64.8 | -23.2 | 0 | 0 | 0 | 110.6 | P500 L501 S506 | P500-D503 PolarHBondContact O-N 2.97Å; L501-D503 PolarHBondContact O-N 2.99Å; D503-S506 PolarHBondContact O-N 3.47Å; D503-S506 PolarHBondContact O-OG 2.75Å |
| 504 | T | 68.9 | Low | 74.3 | Confident | 69 Ų | 69 | 80 Ų | 80 | 42% | 0.423 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.6 | -45.5 | -177 | -46.6 | 0 | 0 | 0 | 0 | 111.7 | P500 L501 S506 T507 K508 | P500-T504 WeakPolarHBondContact O-CB 3.38Å; P500-T504 PolarHBondContact O-N 3.27Å; P500-T504 VanDerWaalsContact O-N 3.1Å; P500-T504 PolarHBondContact O-OG1 2.83Å; L501-T504 PolarHBondContact O-N 2.9Å; T504-S506 VanDerWaalsContact C-N 3.35Å; T504-S506 PolarHBondContact O-N 2.95Å; T504-T507 PolarHBondContact O-OG1 2.94Å; T504-K508 WeakPolarHBondContact O-CG 3.49Å |
| 505 | L | 71.4 | Confident | 73.9 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 20% | 0.199 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -72.3 | -26.5 | -177.8 | -67.5 | 173.2 | 0 | 0 | 0 | 112.7 | L501 T507 K508 V513 F516 | L501-L505 HydrophobicContact CB-CD1 4.17Å; L501-L505 HydrophobicContact CD2-CD1 4.36Å; L501-L505 HydrophobicContact CG-CD1 4.43Å; L501-L505 VanDerWaalsContact O-CB 3.24Å; L501-L505 WeakPolarHBondContact O-CB 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.29Å; L501-L505 PolarHBondContact O-N 3.41Å; L505-T507 PolarHBondContact O-N 3.17Å; L505-T507 VanDerWaalsContact O-N 3.12Å; L505-K508 PolarHBondContact O-N 3.3Å; L505-V513 HydrophobicContact CB-CG2 4.42Å; L505-V513 HydrophobicContact CD2-CG1 4.37Å; L505-V513 HydrophobicContact CD2-CG2 4.2Å; L505-F516 HydrophobicContact CD1-CD1 4.17Å; L505-F516 HydrophobicContact CD1-CE1 4.36Å; L505-F516 HydrophobicContact CD2-CB 4.21Å; L505-F516 HydrophobicContact CD2-CD1 3.7Å; L505-F516 HydrophobicContact CD2-CE1 4.29Å; L505-F516 HydrophobicContact CD2-CG 4.06Å; L505-F516 HydrophobicContact CG-CD1 4.39Å |
| 506 | S | 72.2 | Confident | 73.7 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 67% | 0.671 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.1 | 178.7 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | T502 D503 T504 | T502-S506 WeakPolarHBondContact O-CB 3.45Å; T502-S506 PolarHBondContact O-N 3.22Å; D503-S506 PolarHBondContact O-N 3.47Å; D503-S506 PolarHBondContact O-OG 2.75Å; T504-S506 VanDerWaalsContact C-N 3.35Å; T504-S506 PolarHBondContact O-N 2.95Å |
| 507 | T | 78.4 | Confident | 73.5 | Confident | 112 Ų | 112 | 82.3 Ų | 82.3 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.7 | -179.3 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | T504 L505 | T504-T507 PolarHBondContact O-OG1 2.94Å; L505-T507 PolarHBondContact O-N 3.17Å; L505-T507 VanDerWaalsContact O-N 3.12Å |
| 508 | K | 77.3 | Confident | 73.5 | Confident | 100 Ų | 100 | 86.5 Ų | 86.5 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -100 | 150.9 | -171.1 | -63.3 | -68.9 | 173.3 | -175.8 | 0 | 111.3 | T504 L505 E512 V513 | T504-K508 WeakPolarHBondContact O-CG 3.49Å; L505-K508 PolarHBondContact O-N 3.3Å; K508-E512 HydrophobicContact CB-CB 4.22Å; K508-E512 WeakPolarHBondContact CB-OE2 3.12Å; K508-E512 WeakPolarHBondContact CD-OE2 3.26Å; K508-V513 HydrophobicContact CB-CG2 4.01Å |
| 509 | V | 83.3 | Confident | 73.4 | Confident | 103 Ų | 103 | 85.6 Ų | 85.6 | 62% | 0.624 | 47% | 0.474 | S | S | * | . | trans | -74.4 | 150.9 | 176.8 | -131.9 | 0 | 0 | 0 | 0 | 109.2 | V511 E512 V513 | V509-V511 PolarHBondContact O-N 3.36Å; V509-V511 VanDerWaalsContact O-N 3.08Å; V509-E512 HydrophobicContact CG2-CG 4.31Å; V509-E512 PolarHBondContact N-OE2 2.92Å; V509-E512 VanDerWaalsContact N-OE2 3.16Å; V509-E512 WeakPolarHBondContact O-CB 3.44Å; V509-E512 PolarHBondContact O-N 2.99Å; V509-V513 PolarHBondContact O-N 3.4Å; V509-V513 VanDerWaalsContact O-N 3.16Å | ||
| 510 | E | 70.7 | Confident | 73.5 | Confident | 163 Ų | 163 | 84.4 Ų | 84.4 | 76% | 0.762 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -51.2 | -40.4 | -172.6 | -171.3 | 177.5 | -176.6 | 0 | 0 | 113.6 | E512 V513 V514 | E510-E512 VanDerWaalsContact C-N 3.35Å; E510-E512 PolarHBondContact O-N 3.17Å; E510-V513 WeakPolarHBondContact O-CB 3.21Å; E510-V513 PolarHBondContact O-N 3.29Å; E510-V514 WeakPolarHBondContact O-CG2 3.27Å; E510-V514 PolarHBondContact O-N 2.88Å |
| 511 | V | 70 | Confident | 73.6 | Confident | 120 Ų | 120 | 87.8 Ų | 87.8 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | V509 V513 V514 D515 | V509-V511 PolarHBondContact O-N 3.36Å; V509-V511 VanDerWaalsContact O-N 3.08Å; V511-V513 VanDerWaalsContact C-N 3.34Å; V511-V514 PolarHBondContact O-N 3.41Å; V511-D515 PolarHBondContact O-N 3.16Å |
| 512 | E | 76.3 | Confident | 74 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 177.2 | -59.8 | -179.1 | 134.2 | 0 | 0 | 111.2 | K508 V509 E510 D515 F516 | K508-E512 HydrophobicContact CB-CB 4.22Å; K508-E512 WeakPolarHBondContact CB-OE2 3.12Å; K508-E512 WeakPolarHBondContact CD-OE2 3.26Å; V509-E512 HydrophobicContact CG2-CG 4.31Å; V509-E512 PolarHBondContact N-OE2 2.92Å; V509-E512 VanDerWaalsContact N-OE2 3.16Å; V509-E512 WeakPolarHBondContact O-CB 3.44Å; V509-E512 PolarHBondContact O-N 2.99Å; E510-E512 VanDerWaalsContact C-N 3.35Å; E510-E512 PolarHBondContact O-N 3.17Å; E512-D515 PolarHBondContact O-N 3.42Å; E512-F516 VanDerWaalsContact O-CB 3.32Å; E512-F516 WeakPolarHBondContact O-CB 3.33Å; E512-F516 PolarHBondContact O-N 3Å |
| 513 | V | 72.3 | Confident | 74.3 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | L505 K508 V509 E510 V511 F516 I517 | L505-V513 HydrophobicContact CB-CG2 4.42Å; L505-V513 HydrophobicContact CD2-CG1 4.37Å; L505-V513 HydrophobicContact CD2-CG2 4.2Å; K508-V513 HydrophobicContact CB-CG2 4.01Å; V509-V513 PolarHBondContact O-N 3.4Å; V509-V513 VanDerWaalsContact O-N 3.16Å; E510-V513 WeakPolarHBondContact O-CB 3.21Å; E510-V513 PolarHBondContact O-N 3.29Å; V511-V513 VanDerWaalsContact C-N 3.34Å; V513-F516 PolarHBondContact O-N 3.16Å; V513-I517 HydrophobicContact CG1-CD1 3.97Å; V513-I517 VanDerWaalsContact O-CG1 3.28Å; V513-I517 WeakPolarHBondContact O-CG1 3.47Å; V513-I517 PolarHBondContact O-N 3.12Å |
| 514 | V | 70.9 | Confident | 74.5 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | E510 V511 F516 I517 L518 | E510-V514 WeakPolarHBondContact O-CG2 3.27Å; E510-V514 PolarHBondContact O-N 2.88Å; V511-V514 PolarHBondContact O-N 3.41Å; V514-F516 VanDerWaalsContact C-N 3.31Å; V514-F516 PolarHBondContact O-N 2.91Å; V514-I517 PolarHBondContact O-N 3.03Å; V514-L518 HydrophobicContact CG1-CD1 4.27Å; V514-L518 WeakPolarHBondContact O-CG 3.41Å; V514-L518 PolarHBondContact O-N 3.1Å |
| 515 | D | 73.9 | Confident | 74.8 | Confident | 76 Ų | 76 | 88.9 Ų | 88.9 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 176.9 | -178.4 | 60.5 | 0 | 0 | 0 | 111.8 | V511 E512 I517 L518 K519 | V511-D515 PolarHBondContact O-N 3.16Å; E512-D515 PolarHBondContact O-N 3.42Å; D515-I517 PolarHBondContact O-N 2.84Å; D515-L518 PolarHBondContact O-N 2.78Å; D515-K519 PolarHBondContact O-N 3.4Å; D515-K519 IonicContact OD1-NZ 3.88Å; D515-K519 WeakPolarHBondContact OD2-CE 3.29Å; D515-K519 IonicContact OD2-NZ 2.59Å; D515-K519 PolarHBondContact OD2-NZ 2.92Å |
| 516 | F | 78.2 | Confident | 75.1 | Confident | 65 Ų | 65 | 88.6 Ų | 88.6 | 29% | 0.285 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 176.6 | -174.3 | -99.1 | 0 | 0 | 0 | 112 | L501 L505 E512 V513 V514 L518 K519 L520 | L501-F516 HydrophobicContact CD1-CE1 4.38Å; L501-F516 HydrophobicContact CD1-CZ 4.35Å; L501-F516 HydrophobicContact CD2-CE1 3.55Å; L501-F516 HydrophobicContact CD2-CZ 4.3Å; L501-F516 HydrophobicContact CG-CE1 3.63Å; L501-F516 HydrophobicContact CG-CZ 4.03Å; L505-F516 HydrophobicContact CD1-CD1 4.17Å; L505-F516 HydrophobicContact CD1-CE1 4.36Å; L505-F516 HydrophobicContact CD2-CB 4.21Å; L505-F516 HydrophobicContact CD2-CD1 3.7Å; L505-F516 HydrophobicContact CD2-CE1 4.29Å; L505-F516 HydrophobicContact CD2-CG 4.06Å; L505-F516 HydrophobicContact CG-CD1 4.39Å; E512-F516 VanDerWaalsContact O-CB 3.32Å; E512-F516 WeakPolarHBondContact O-CB 3.33Å; E512-F516 PolarHBondContact O-N 3Å; V513-F516 PolarHBondContact O-N 3.16Å; V514-F516 VanDerWaalsContact C-N 3.31Å; V514-F516 PolarHBondContact O-N 2.91Å; F516-L518 VanDerWaalsContact C-N 3.32Å; F516-L518 PolarHBondContact O-N 3.35Å; F516-K519 PolarHBondContact O-N 3.02Å; F516-L520 HydrophobicContact CD1-CD1 3.77Å; F516-L520 HydrophobicContact CE1-CD1 3.2Å; F516-L520 HydrophobicContact CZ-CD1 3.73Å; F516-L520 WeakPolarHBondContact O-CB 3.42Å; F516-L520 PolarHBondContact O-N 2.92Å |
| 517 | I | 73.3 | Confident | 75.1 | Confident | 71 Ų | 71 | 84 Ų | 84 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.9 | -69.6 | 167.8 | 0 | 0 | 0 | 111.4 | V513 V514 D515 L520 R521 | V513-I517 HydrophobicContact CG1-CD1 3.97Å; V513-I517 VanDerWaalsContact O-CG1 3.28Å; V513-I517 WeakPolarHBondContact O-CG1 3.47Å; V513-I517 PolarHBondContact O-N 3.12Å; V514-I517 PolarHBondContact O-N 3.03Å; D515-I517 PolarHBondContact O-N 2.84Å; I517-L520 WeakPolarHBondContact O-CB 3.3Å; I517-L520 PolarHBondContact O-N 3.41Å; I517-R521 WeakPolarHBondContact O-CG 3.34Å; I517-R521 PolarHBondContact O-N 2.89Å |
| 518 | L | 74.2 | Confident | 74.7 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.9 | -70.5 | 173.9 | 0 | 0 | 0 | 111.7 | V514 D515 F516 L520 R521 E522 | V514-L518 HydrophobicContact CG1-CD1 4.27Å; V514-L518 WeakPolarHBondContact O-CG 3.41Å; V514-L518 PolarHBondContact O-N 3.1Å; D515-L518 PolarHBondContact O-N 2.78Å; F516-L518 VanDerWaalsContact C-N 3.32Å; F516-L518 PolarHBondContact O-N 3.35Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.09Å; L518-R521 WeakPolarHBondContact O-CB 3.49Å; L518-R521 PolarHBondContact O-N 3.06Å; L518-E522 PolarHBondContact O-N 2.83Å |
| 519 | K | 77.3 | Confident | 74.2 | Confident | 119 Ų | 119 | 81.2 Ų | 81.2 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 173.7 | -75.5 | 171.8 | 178.1 | 157.4 | 0 | 112.1 | D515 F516 E522 A523 | D515-K519 PolarHBondContact O-N 3.4Å; D515-K519 IonicContact OD1-NZ 3.88Å; D515-K519 WeakPolarHBondContact OD2-CE 3.29Å; D515-K519 IonicContact OD2-NZ 2.59Å; D515-K519 PolarHBondContact OD2-NZ 2.92Å; F516-K519 PolarHBondContact O-N 3.02Å; K519-E522 PolarHBondContact O-N 3.19Å; K519-A523 WeakPolarHBondContact O-CB 3.08Å; K519-A523 PolarHBondContact O-N 3.49Å |
| 520 | L | 75.8 | Confident | 73.6 | Confident | 9 Ų | 9 | 79.4 Ų | 79.4 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.8 | -123.8 | 143.8 | 0 | 0 | 0 | 112.1 | I496 L501 F516 I517 L518 A523 L524 I542 | I496-L520 HydrophobicContact CG2-CD1 4.21Å; I496-L520 HydrophobicContact CG2-CD2 4.18Å; I496-L520 HydrophobicContact CG2-CG 4.04Å; L501-L520 HydrophobicContact CD2-CD1 3.63Å; F516-L520 HydrophobicContact CD1-CD1 3.77Å; F516-L520 HydrophobicContact CE1-CD1 3.2Å; F516-L520 HydrophobicContact CZ-CD1 3.73Å; F516-L520 WeakPolarHBondContact O-CB 3.42Å; F516-L520 PolarHBondContact O-N 2.92Å; I517-L520 WeakPolarHBondContact O-CB 3.3Å; I517-L520 PolarHBondContact O-N 3.41Å; L518-L520 VanDerWaalsContact C-N 3.29Å; L518-L520 PolarHBondContact O-N 3.09Å; L520-A523 PolarHBondContact O-N 2.8Å; L520-L524 WeakPolarHBondContact O-CB 3.36Å; L520-L524 PolarHBondContact O-N 3.18Å; L520-I542 HydrophobicContact CD2-CG2 3.7Å |
| 521 | R | 74.6 | Confident | 73.3 | Confident | 151 Ų | 151 | 75.5 Ų | 75.5 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 174.3 | -74.1 | 177 | 175.1 | -178.4 | 0 | 112.2 | I517 L518 L524 K525 | I517-R521 WeakPolarHBondContact O-CG 3.34Å; I517-R521 PolarHBondContact O-N 2.89Å; L518-R521 WeakPolarHBondContact O-CB 3.49Å; L518-R521 PolarHBondContact O-N 3.06Å; R521-L524 WeakPolarHBondContact O-CB 3.4Å; R521-L524 PolarHBondContact O-N 3.45Å; R521-K525 WeakPolarHBondContact O-CG 3.22Å; R521-K525 PolarHBondContact O-N 3.36Å |
| 522 | E | 77.3 | Confident | 72.9 | Confident | 140 Ų | 140 | 74.5 Ų | 74.5 | 65% | 0.654 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 175.8 | -169.4 | 176.4 | -173.7 | 0 | 0 | 111.6 | L518 K519 L524 K525 F526 | L518-E522 PolarHBondContact O-N 2.83Å; K519-E522 PolarHBondContact O-N 3.19Å; E522-L524 VanDerWaalsContact C-N 3.29Å; E522-L524 PolarHBondContact O-N 3.35Å; E522-K525 PolarHBondContact O-N 3.1Å; E522-F526 PolarHBondContact O-N 3.49Å |
| 523 | A | 74.9 | Confident | 72.5 | Confident | 17 Ų | 17 | 73.3 Ų | 73.3 | 14% | 0.14 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L493 I496 K519 L520 F526 A527 | L493-A523 HydrophobicContact CD2-CB 3.75Å; I496-A523 HydrophobicContact CD1-CB 4.43Å; K519-A523 WeakPolarHBondContact O-CB 3.08Å; K519-A523 PolarHBondContact O-N 3.49Å; L520-A523 PolarHBondContact O-N 2.8Å; A523-F526 PolarHBondContact O-N 3.35Å; A523-A527 WeakPolarHBondContact O-CB 3.42Å; A523-A527 PolarHBondContact O-N 2.99Å |
| 524 | L | 72.6 | Confident | 72.2 | Confident | 27 Ų | 27 | 71.8 Ų | 71.8 | 14% | 0.141 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64 | -46 | 174.4 | -120.6 | 150.1 | 0 | 0 | 0 | 112.3 | L520 R521 E522 F526 A527 V528 I542 E543 T546 | L520-L524 WeakPolarHBondContact O-CB 3.36Å; L520-L524 PolarHBondContact O-N 3.18Å; R521-L524 WeakPolarHBondContact O-CB 3.4Å; R521-L524 PolarHBondContact O-N 3.45Å; E522-L524 VanDerWaalsContact C-N 3.29Å; E522-L524 PolarHBondContact O-N 3.35Å; L524-F526 VanDerWaalsContact C-N 3.3Å; L524-F526 PolarHBondContact O-N 2.68Å; L524-A527 PolarHBondContact O-N 3.46Å; L524-V528 HydrophobicContact CD2-CG2 4.28Å; L524-V528 WeakPolarHBondContact O-CB 3.04Å; L524-V528 VanDerWaalsContact O-CG2 3.3Å; L524-V528 WeakPolarHBondContact O-CG2 3.3Å; L524-V528 PolarHBondContact O-N 3.19Å; L524-I542 HydrophobicContact CD1-CG2 3.66Å; L524-I542 HydrophobicContact CG-CG2 3.69Å; L524-E543 HydrophobicContact CD2-CG 3.74Å; L524-T546 HydrophobicContact CD1-CG2 3.66Å |
| 525 | K | 76.3 | Confident | 72.2 | Confident | 165 Ų | 165 | 71.1 Ų | 71.1 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 174.5 | -74.9 | 178.2 | -178.8 | -178.9 | 0 | 111.5 | R521 E522 V528 A529 | R521-K525 WeakPolarHBondContact O-CG 3.22Å; R521-K525 PolarHBondContact O-N 3.36Å; E522-K525 PolarHBondContact O-N 3.1Å; K525-V528 PolarHBondContact O-N 2.73Å; K525-A529 WeakPolarHBondContact O-CB 3.49Å; K525-A529 PolarHBondContact O-N 3.07Å |
| 526 | F | 77.2 | Confident | 72.1 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 14% | 0.14 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 174.8 | 173.7 | -95.1 | 0 | 0 | 0 | 111.4 | R489 L493 E522 A523 L524 V528 A529 H530 | R489-F526 HydrophobicContact CB-CE1 4.04Å; R489-F526 HydrophobicContact CB-CZ 4.16Å; L493-F526 HydrophobicContact CD1-CD1 4.01Å; L493-F526 HydrophobicContact CD1-CE1 4.09Å; E522-F526 PolarHBondContact O-N 3.49Å; A523-F526 PolarHBondContact O-N 3.35Å; L524-F526 VanDerWaalsContact C-N 3.3Å; L524-F526 PolarHBondContact O-N 2.68Å; F526-V528 VanDerWaalsContact C-N 3.34Å; F526-V528 PolarHBondContact O-N 3.27Å; F526-A529 PolarHBondContact O-N 3.49Å; F526-A529 VanDerWaalsContact O-N 3.17Å; F526-H530 AromaticContact CD2-CE1 3.4Å; F526-H530 WeakPolarHBondContact CD2-CE1 3.48Å; F526-H530 AromaticContact CD2-ND1 3.36Å; F526-H530 WeakPolarHBondContact CD2-ND1 3.4Å; F526-H530 AromaticContact CE2-CD2 3.93Å; F526-H530 AromaticContact CE2-CE1 3.33Å; F526-H530 WeakPolarHBondContact CE2-CE1 3.33Å; F526-H530 AromaticContact CE2-CG 3.75Å; F526-H530 AromaticContact CE2-ND1 3.36Å; F526-H530 WeakPolarHBondContact CE2-ND1 3.41Å; F526-H530 AromaticContact CE2-NE2 3.66Å; F526-H530 AromaticContact CG-ND1 3.94Å; F526-H530 HydrophobicContact CZ-CB 4.41Å; F526-H530 AromaticContact CZ-CG 3.96Å; F526-H530 AromaticContact CZ-ND1 3.95Å; F526-H530 PolarHBondContact O-N 3.31Å; F526-H530 PolarHBondContact O-ND1 3.03Å |
| 527 | A | 72.7 | Confident | 71.9 | Confident | 1 Ų | 1 | 76.2 Ų | 76.2 | 1% | 0.008 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L493 A523 L524 V534 R539 | L493-A527 HydrophobicContact CD1-CB 4.49Å; A523-A527 WeakPolarHBondContact O-CB 3.42Å; A523-A527 PolarHBondContact O-N 2.99Å; L524-A527 PolarHBondContact O-N 3.46Å; A527-V534 HydrophobicContact CB-CG1 4.1Å; A527-V534 HydrophobicContact CB-CG2 4.39Å; A527-R539 HydrophobicContact CB-CG 3.99Å |
| 528 | V | 69.3 | Low | 71.7 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.7 | -35.9 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | L524 K525 F526 T531 | L524-V528 HydrophobicContact CD2-CG2 4.28Å; L524-V528 WeakPolarHBondContact O-CB 3.04Å; L524-V528 VanDerWaalsContact O-CG2 3.3Å; L524-V528 WeakPolarHBondContact O-CG2 3.3Å; L524-V528 PolarHBondContact O-N 3.19Å; K525-V528 PolarHBondContact O-N 2.73Å; F526-V528 VanDerWaalsContact C-N 3.34Å; F526-V528 PolarHBondContact O-N 3.27Å; V528-T531 WeakPolarHBondContact O-CG2 3.45Å |
| 529 | A | 67.6 | Low | 71.6 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 60% | 0.595 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -73.6 | -28 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K525 F526 | K525-A529 WeakPolarHBondContact O-CB 3.49Å; K525-A529 PolarHBondContact O-N 3.07Å; F526-A529 PolarHBondContact O-N 3.49Å; F526-A529 VanDerWaalsContact O-N 3.17Å |
| 530 | H | 70.2 | Confident | 71.1 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.296 | 36% | 0.36 | S | S | . | . | trans | -112 | 54.4 | -174.1 | -60 | 76 | 0 | 0 | 0 | 111.7 | F526 D532 I533 V534 | F526-H530 AromaticContact CD2-CE1 3.4Å; F526-H530 WeakPolarHBondContact CD2-CE1 3.48Å; F526-H530 AromaticContact CD2-ND1 3.36Å; F526-H530 WeakPolarHBondContact CD2-ND1 3.4Å; F526-H530 AromaticContact CE2-CD2 3.93Å; F526-H530 AromaticContact CE2-CE1 3.33Å; F526-H530 WeakPolarHBondContact CE2-CE1 3.33Å; F526-H530 AromaticContact CE2-CG 3.75Å; F526-H530 AromaticContact CE2-ND1 3.36Å; F526-H530 WeakPolarHBondContact CE2-ND1 3.41Å; F526-H530 AromaticContact CE2-NE2 3.66Å; F526-H530 AromaticContact CG-ND1 3.94Å; F526-H530 HydrophobicContact CZ-CB 4.41Å; F526-H530 AromaticContact CZ-CG 3.96Å; F526-H530 AromaticContact CZ-ND1 3.95Å; F526-H530 PolarHBondContact O-N 3.31Å; F526-H530 PolarHBondContact O-ND1 3.03Å; H530-D532 VanDerWaalsContact C-OD1 3.26Å; H530-D532 WeakPolarHBondContact CA-OD1 3.45Å; H530-D532 PolarHBondContact O-N 3.42Å; H530-I533 PolarHBondContact O-N 3.19Å; H530-I533 VanDerWaalsContact O-N 3.17Å; H530-V534 HydrophobicContact CB-CG2 4.43Å; H530-V534 PolarHBondContact O-N 3.46Å | ||
| 531 | T | 64 | Low | 70.8 | Confident | 81 Ų | 81 | 72.7 Ų | 72.7 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.6 | -175.2 | 66.7 | 0 | 0 | 0 | 0 | 114.6 | V528 R539 | V528-T531 WeakPolarHBondContact O-CG2 3.45Å; T531-R539 PolarHBondContact O-NH2 2.9Å; T531-R539 VanDerWaalsContact O-NH2 3.07Å |
| 532 | D | 62.4 | Low | 70.4 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -25.1 | 178.6 | 59.3 | -42.8 | 0 | 0 | 0 | 112.9 | H530 | H530-D532 VanDerWaalsContact C-OD1 3.26Å; H530-D532 WeakPolarHBondContact CA-OD1 3.45Å; H530-D532 PolarHBondContact O-N 3.42Å |
| 533 | I | 68.1 | Low | 69.9 | Low | 64 Ų | 64 | 63.7 Ų | 63.7 | 33% | 0.328 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -34.1 | -175.9 | -57.8 | 162.9 | 0 | 0 | 0 | 111.6 | I486 L490 H530 | I486-I533 HydrophobicContact CD1-CD1 4.22Å; I486-I533 HydrophobicContact CG2-CD1 4.09Å; I486-I533 HydrophobicContact CG2-CG2 3.76Å; L490-I533 HydrophobicContact CD1-CG2 3.64Å; L490-I533 HydrophobicContact CD2-CG2 4.15Å; L490-I533 HydrophobicContact CG-CG2 4.13Å; H530-I533 PolarHBondContact O-N 3.19Å; H530-I533 VanDerWaalsContact O-N 3.17Å |
| 534 | V | 66.2 | Low | 69.3 | Low | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -89.7 | 123.1 | -179.3 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | L490 L493 A527 H530 L538 R539 | L490-V534 HydrophobicContact CD2-CG2 3.89Å; L493-V534 HydrophobicContact CD1-CG1 4.45Å; L493-V534 HydrophobicContact CD1-CG2 4.07Å; A527-V534 HydrophobicContact CB-CG1 4.1Å; A527-V534 HydrophobicContact CB-CG2 4.39Å; H530-V534 HydrophobicContact CB-CG2 4.43Å; H530-V534 PolarHBondContact O-N 3.46Å; V534-L538 HydrophobicContact CG1-CB 4.09Å; V534-L538 HydrophobicContact CG1-CD2 3.69Å; V534-L538 HydrophobicContact CG1-CG 4.48Å; V534-R539 HydrophobicContact CG1-CG 3.9Å; V534-R539 VanDerWaalsContact O-CZ 3.31Å; V534-R539 PolarHBondContact O-NE 3.43Å; V534-R539 PolarHBondContact O-NH2 2.93Å |
| 535 | S | 71 | Confident | 68.6 | Low | 63 Ų | 63 | 70.6 Ų | 70.6 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | trans | -61.9 | 153.2 | -179.9 | 77 | 0 | 0 | 0 | 0 | 112 | E537 L538 R539 | S535-E537 VanDerWaalsContact C-N 3.27Å; S535-E537 PolarHBondContact O-N 3.3Å; S535-L538 PolarHBondContact O-N 3.26Å; S535-L538 WeakPolarHBondContact OG-CB 3.42Å; S535-L538 PolarHBondContact OG-N 3.47Å; S535-R539 PolarHBondContact O-N 2.88Å; S535-R539 PolarHBondContact O-NE 3.14Å | ||
| 536 | V | 71.4 | Confident | 67.7 | Low | 101 Ų | 101 | 66.6 Ų | 66.6 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | L538 R539 C540 | V536-L538 PolarHBondContact O-N 3.37Å; V536-R539 PolarHBondContact O-N 3.48Å; V536-C540 PolarHBondContact O-N 3.45Å; V536-C540 PolarHBondContact O-SG 3.25Å; V536-C540 VanDerWaalsContact O-SG 3.41Å |
| 537 | E | 72.8 | Confident | 66.7 | Low | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 179 | -172.6 | 174.2 | -175.8 | 0 | 0 | 112.4 | S535 R539 C540 R541 | S535-E537 VanDerWaalsContact C-N 3.27Å; S535-E537 PolarHBondContact O-N 3.3Å; E537-R539 VanDerWaalsContact C-N 3.33Å; E537-R539 PolarHBondContact O-N 3.41Å; E537-C540 PolarHBondContact O-N 3.04Å; E537-R541 WeakPolarHBondContact O-CG 3.19Å; E537-R541 PolarHBondContact O-N 3.28Å; E537-R541 VanDerWaalsContact O-N 3.14Å |
| 538 | L | 70.8 | Confident | 65.8 | Low | 17 Ų | 17 | 71.5 Ų | 71.5 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177.6 | -156.2 | 85.7 | 0 | 0 | 0 | 111.7 | L493 E494 A497 V534 S535 V536 R541 I542 | L493-L538 HydrophobicContact CB-CD2 3.54Å; L493-L538 HydrophobicContact CD1-CD2 4.22Å; L493-L538 HydrophobicContact CG-CD2 4.49Å; E494-L538 HydrophobicContact CB-CD1 4.31Å; E494-L538 HydrophobicContact CG-CD1 3.51Å; E494-L538 HydrophobicContact CG-CD2 4.42Å; A497-L538 HydrophobicContact CB-CD1 4.32Å; V534-L538 HydrophobicContact CG1-CB 4.09Å; V534-L538 HydrophobicContact CG1-CD2 3.69Å; V534-L538 HydrophobicContact CG1-CG 4.48Å; S535-L538 PolarHBondContact O-N 3.26Å; S535-L538 WeakPolarHBondContact OG-CB 3.42Å; S535-L538 PolarHBondContact OG-N 3.47Å; V536-L538 PolarHBondContact O-N 3.37Å; L538-R541 PolarHBondContact O-N 3.13Å; L538-I542 HydrophobicContact CG-CD1 4.45Å; L538-I542 WeakPolarHBondContact O-CG1 3.48Å; L538-I542 PolarHBondContact O-N 2.95Å |
| 539 | R | 70.4 | Confident | 65.2 | Low | 45 Ų | 45 | 70.1 Ų | 70.1 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 178.2 | -80.8 | 176.7 | -82.1 | -176.1 | -10.2 | 112.1 | A527 T531 V534 S535 V536 E537 R541 I542 E543 | A527-R539 HydrophobicContact CB-CG 3.99Å; T531-R539 PolarHBondContact O-NH2 2.9Å; T531-R539 VanDerWaalsContact O-NH2 3.07Å; V534-R539 HydrophobicContact CG1-CG 3.9Å; V534-R539 VanDerWaalsContact O-CZ 3.31Å; V534-R539 PolarHBondContact O-NE 3.43Å; V534-R539 PolarHBondContact O-NH2 2.93Å; S535-R539 PolarHBondContact O-N 2.88Å; S535-R539 PolarHBondContact O-NE 3.14Å; V536-R539 PolarHBondContact O-N 3.48Å; E537-R539 VanDerWaalsContact C-N 3.33Å; E537-R539 PolarHBondContact O-N 3.41Å; R539-R541 VanDerWaalsContact C-N 3.28Å; R539-R541 PolarHBondContact O-N 3.44Å; R539-I542 PolarHBondContact O-N 3.19Å; R539-I542 VanDerWaalsContact O-N 3.13Å; R539-E543 PolarHBondContact O-N 2.97Å |
| 540 | C | 68.4 | Low | 64.9 | Low | 57 Ų | 57 | 69 Ų | 69 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 178 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | V536 E537 I542 E543 E544 | V536-C540 PolarHBondContact O-N 3.45Å; V536-C540 PolarHBondContact O-SG 3.25Å; V536-C540 VanDerWaalsContact O-SG 3.41Å; E537-C540 PolarHBondContact O-N 3.04Å; C540-I542 VanDerWaalsContact C-N 3.31Å; C540-I542 PolarHBondContact O-N 2.95Å; C540-E543 PolarHBondContact O-N 3.37Å; C540-E544 WeakPolarHBondContact O-CG 3.24Å; C540-E544 PolarHBondContact O-N 3.23Å |
| 541 | R | 68.8 | Low | 64.9 | Low | 100 Ų | 100 | 67.8 Ų | 67.8 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 178 | -71.9 | 177 | 78.5 | 176.4 | -1.1 | 113.1 | A497 E537 L538 R539 | A497-R541 HydrophobicContact CB-CB 4.14Å; E537-R541 WeakPolarHBondContact O-CG 3.19Å; E537-R541 PolarHBondContact O-N 3.28Å; E537-R541 VanDerWaalsContact O-N 3.14Å; L538-R541 PolarHBondContact O-N 3.13Å; R539-R541 VanDerWaalsContact C-N 3.28Å; R539-R541 PolarHBondContact O-N 3.44Å |
| 542 | I | 66.9 | Low | 65.3 | Low | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.3 | -39.7 | 177.5 | -61.8 | 170.3 | 0 | 0 | 0 | 110.9 | L493 A497 L520 L524 L538 R539 C540 Q545 | L493-I542 HydrophobicContact CB-CD1 4.21Å; L493-I542 HydrophobicContact CD2-CD1 3.65Å; L493-I542 HydrophobicContact CG-CD1 4.49Å; A497-I542 HydrophobicContact CB-CG1 4.05Å; L520-I542 HydrophobicContact CD2-CG2 3.7Å; L524-I542 HydrophobicContact CD1-CG2 3.66Å; L524-I542 HydrophobicContact CG-CG2 3.69Å; L538-I542 HydrophobicContact CG-CD1 4.45Å; L538-I542 WeakPolarHBondContact O-CG1 3.48Å; L538-I542 PolarHBondContact O-N 2.95Å; R539-I542 PolarHBondContact O-N 3.19Å; R539-I542 VanDerWaalsContact O-N 3.13Å; C540-I542 VanDerWaalsContact C-N 3.31Å; C540-I542 PolarHBondContact O-N 2.95Å; I542-Q545 PolarHBondContact O-N 2.97Å |
| 543 | E | 65.1 | Low | 66.1 | Low | 102 Ų | 102 | 70.6 Ų | 70.6 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.7 | -78 | -178 | 170.7 | 0 | 0 | 112.4 | L524 R539 C540 Q545 T546 | L524-E543 HydrophobicContact CD2-CG 3.74Å; R539-E543 PolarHBondContact O-N 2.97Å; C540-E543 PolarHBondContact O-N 3.37Å; E543-Q545 PolarHBondContact O-N 3.48Å; E543-T546 PolarHBondContact O-N 2.99Å; E543-T546 PolarHBondContact O-OG1 3.24Å |
| 544 | E | 62.2 | Low | 66.8 | Low | 129 Ų | 129 | 67.6 Ų | 67.6 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24.7 | 177.9 | -78.2 | 179.3 | 168.4 | 0 | 0 | 113.2 | C540 | C540-E544 WeakPolarHBondContact O-CG 3.24Å; C540-E544 PolarHBondContact O-N 3.23Å |
| 545 | Q | 59 | Low | 67.4 | Low | 59 Ų | 59 | 70.8 Ų | 70.8 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -10.4 | -179.7 | -65.5 | -171.1 | -3.9 | 0 | 0 | 114.7 | L501 I542 E543 | L501-Q545 HydrophobicContact CD2-CB 4.24Å; I542-Q545 PolarHBondContact O-N 2.97Å; E543-Q545 PolarHBondContact O-N 3.48Å |
| 546 | T | 56.9 | Low | 68 | Low | 82 Ų | 82 | 76 Ų | 76 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -26.3 | -170.5 | 57.8 | 0 | 0 | 0 | 0 | 116.4 | L524 E543 | L524-T546 HydrophobicContact CD1-CG2 3.66Å; E543-T546 PolarHBondContact O-N 2.99Å; E543-T546 PolarHBondContact O-OG1 3.24Å |
| 547 | N | 56 | Low | 68.6 | Low | 72 Ų | 72 | 72.2 Ų | 72.2 | 39% | 0.385 | 34% | 0.343 | S | S | . | . | trans | -156.5 | 86.4 | 169.3 | -171.2 | -0.6 | 0 | 0 | 0 | 110.9 | F549 | N547-F549 VanDerWaalsContact C-N 3.29Å; N547-F549 PolarHBondContact O-N 3.01Å | ||
| 548 | P | 54.1 | Low | 69.1 | Low | 64 Ų | 64 | 66.2 Ų | 66.2 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -73.3 | -15.9 | -167.6 | 25.6 | -32.4 | 0 | 0 | 0 | 114.7 | ||
| 549 | F | 56.6 | Low | 69.8 | Low | 51 Ų | 51 | 71.8 Ų | 71.8 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -96.2 | -34.8 | -165.3 | -52.7 | -59.2 | 0 | 0 | 0 | 114.3 | N547 F576 E577 K580 S588 | N547-F549 VanDerWaalsContact C-N 3.29Å; N547-F549 PolarHBondContact O-N 3.01Å; F549-F576 HydrophobicContact CB-CD1 4.42Å; F549-F576 HydrophobicContact CB-CE1 4.03Å; F549-F576 AromaticContact CD1-CE1 3.95Å; F549-F576 HydrophobicContact CD1-CE1 3.95Å; F549-F576 HydrophobicContact CD1-CZ 4.24Å; F549-F576 HydrophobicContact CG-CE1 4.32Å; F549-E577 HydrophobicContact CB-CG 4.15Å; F549-E577 HydrophobicContact CD2-CG 3.93Å; F549-E577 HydrophobicContact CG-CG 4.26Å; F549-K580 HydrophobicContact CD1-CG 4.24Å; F549-K580 HydrophobicContact CE1-CB 4.28Å; F549-K580 HydrophobicContact CE1-CG 3.45Å; F549-K580 VanDerWaalsContact CE1-CG 3.45Å; F549-K580 HydrophobicContact CZ-CG 3.91Å; F549-S588 WeakPolarHBondContact CD1-O 3.24Å |
| 550 | E | 62.4 | Low | 70.6 | Confident | 50 Ų | 50 | 78.9 Ų | 78.9 | 23% | 0.234 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -104.3 | 90.9 | 176.5 | -167.9 | -178.3 | -141.3 | 0 | 0 | 110.4 | I554 K555 I573 | E550-I554 HydrophobicContact CG-CG2 4.27Å; E550-K555 HydrophobicContact CG-CG 3.84Å; E550-K555 WeakPolarHBondContact OE2-CE 3.5Å; E550-I573 HydrophobicContact CG-CD1 4.4Å |
| 551 | T | 69.1 | Low | 71.5 | Confident | 37 Ų | 37 | 77.8 Ų | 77.8 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | trans | -64.1 | 148.7 | 174.6 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | E553 I554 K555 | T551-E553 PolarHBondContact O-N 2.91Å; T551-E553 VanDerWaalsContact O-N 3.09Å; T551-I554 WeakPolarHBondContact O-CB 3.28Å; T551-I554 PolarHBondContact O-N 3.39Å; T551-K555 PolarHBondContact O-N 3.47Å | ||
| 552 | E | 72.3 | Confident | 72.6 | Confident | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -54 | -30 | 175.1 | -82.8 | -59.3 | 133.9 | 0 | 0 | 113.6 | I554 K555 R556 | E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 3.4Å; E552-K555 PolarHBondContact O-N 3.15Å; E552-K555 WeakPolarHBondContact OE1-CD 3.45Å; E552-K555 IonicContact OE1-NZ 2.75Å; E552-K555 PolarHBondContact OE1-NZ 3.21Å; E552-R556 WeakPolarHBondContact O-CG 3.4Å; E552-R556 PolarHBondContact O-N 3.01Å |
| 553 | E | 79.9 | Confident | 73.5 | Confident | 135 Ų | 135 | 83.1 Ų | 83.1 | 63% | 0.631 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 173.7 | -66.5 | -173.8 | 169.4 | 0 | 0 | 112.8 | T551 W557 V592 | T551-E553 PolarHBondContact O-N 2.91Å; T551-E553 VanDerWaalsContact O-N 3.09Å; E553-W557 VanDerWaalsContact O-CB 3.28Å; E553-W557 WeakPolarHBondContact O-CB 3.39Å; E553-W557 PolarHBondContact O-N 3.18Å; E553-V592 HydrophobicContact CB-CG2 4.26Å |
| 554 | I | 81.8 | Confident | 74.6 | Confident | 1 Ų | 1 | 84.5 Ų | 84.5 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 176.9 | -71.8 | 175.8 | 0 | 0 | 0 | 110.1 | E550 T551 E552 W557 S558 L569 I573 L590 V592 | E550-I554 HydrophobicContact CG-CG2 4.27Å; T551-I554 WeakPolarHBondContact O-CB 3.28Å; T551-I554 PolarHBondContact O-N 3.39Å; E552-I554 VanDerWaalsContact C-N 3.34Å; E552-I554 PolarHBondContact O-N 3.4Å; I554-W557 PolarHBondContact O-N 3.01Å; I554-S558 WeakPolarHBondContact O-CB 3.43Å; I554-S558 PolarHBondContact O-N 3.43Å; I554-L569 HydrophobicContact CG2-CD2 4.47Å; I554-I573 HydrophobicContact CG2-CD1 4.12Å; I554-L590 HydrophobicContact CD1-CB 3.71Å; I554-L590 VanDerWaalsContact CD1-O 3.25Å; I554-L590 WeakPolarHBondContact CD1-O 3.37Å; I554-V592 HydrophobicContact CG1-CG2 4.27Å |
| 555 | K | 79.5 | Confident | 75.9 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -53.4 | 177.3 | -67.3 | -172.1 | -166.4 | 158.8 | 0 | 111.4 | E550 T551 E552 W557 S558 D559 | E550-K555 HydrophobicContact CG-CG 3.84Å; E550-K555 WeakPolarHBondContact OE2-CE 3.5Å; T551-K555 PolarHBondContact O-N 3.47Å; E552-K555 PolarHBondContact O-N 3.15Å; E552-K555 WeakPolarHBondContact OE1-CD 3.45Å; E552-K555 IonicContact OE1-NZ 2.75Å; E552-K555 PolarHBondContact OE1-NZ 3.21Å; K555-W557 PolarHBondContact O-N 3.09Å; K555-S558 WeakPolarHBondContact O-CB 3.24Å; K555-S558 PolarHBondContact O-N 3.35Å; K555-S558 PolarHBondContact O-OG 3.02Å; K555-D559 PolarHBondContact O-N 3.22Å |
| 556 | R | 83.7 | Confident | 77.3 | Confident | 173 Ų | 173 | 79.4 Ų | 79.4 | 65% | 0.653 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.2 | -35 | 178 | -68.4 | 177.9 | -174.6 | 178.9 | 1.1 | 113 | E552 | E552-R556 WeakPolarHBondContact O-CG 3.4Å; E552-R556 PolarHBondContact O-N 3.01Å |
| 557 | W | 84.8 | Confident | 78.8 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 8% | 0.076 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72.3 | -38.1 | 175.2 | 170.7 | 79.2 | 0 | 0 | 0 | 112 | E553 I554 K555 D559 R560 L561 L569 V592 A595 E596 L599 | E553-W557 VanDerWaalsContact O-CB 3.28Å; E553-W557 WeakPolarHBondContact O-CB 3.39Å; E553-W557 PolarHBondContact O-N 3.18Å; I554-W557 PolarHBondContact O-N 3.01Å; K555-W557 PolarHBondContact O-N 3.09Å; W557-D559 PolarHBondContact O-N 3Å; W557-R560 WeakPolarHBondContact O-CB 3.37Å; W557-R560 PolarHBondContact O-N 2.85Å; W557-L561 HydrophobicContact CE3-CD1 4.32Å; W557-L561 HydrophobicContact CH2-CD1 3.76Å; W557-L561 HydrophobicContact CH2-CD2 4.15Å; W557-L561 HydrophobicContact CH2-CG 4.39Å; W557-L561 HydrophobicContact CZ2-CD1 4.09Å; W557-L561 HydrophobicContact CZ2-CD2 3.68Å; W557-L561 HydrophobicContact CZ2-CG 4.22Å; W557-L561 HydrophobicContact CZ3-CD1 3.9Å; W557-L569 HydrophobicContact CE3-CD2 4.07Å; W557-L569 HydrophobicContact CH2-CD2 4.36Å; W557-L569 HydrophobicContact CZ3-CD1 4.11Å; W557-L569 HydrophobicContact CZ3-CD2 3.5Å; W557-L569 VanDerWaalsContact CZ3-CD2 3.5Å; W557-L569 HydrophobicContact CZ3-CG 4.43Å; W557-V592 HydrophobicContact CB-CG1 4.13Å; W557-V592 HydrophobicContact CB-CG2 3.92Å; W557-V592 HydrophobicContact CD2-CG1 3.59Å; W557-V592 HydrophobicContact CE3-CG1 4.23Å; W557-V592 HydrophobicContact CG-CB 4.46Å; W557-V592 HydrophobicContact CG-CG1 3.48Å; W557-V592 VanDerWaalsContact CG-CG1 3.48Å; W557-V592 HydrophobicContact CG-CG2 4.17Å; W557-A595 HydrophobicContact CH2-CB 4.15Å; W557-A595 HydrophobicContact CZ3-CB 3.74Å; W557-E596 HydrophobicContact CH2-CG 3.82Å; W557-E596 HydrophobicContact CZ2-CB 4.4Å; W557-E596 HydrophobicContact CZ2-CG 3.24Å; W557-E596 PolarHBondContact NE1-OE1 3.43Å; W557-L599 HydrophobicContact CH2-CD1 3.74Å; W557-L599 HydrophobicContact CZ2-CD1 4.4Å |
| 558 | S | 83.1 | Confident | 80.3 | Confident | 22 Ų | 22 | 79 Ų | 79 | 15% | 0.154 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -30.8 | 179.8 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | I554 K555 R560 L561 | I554-S558 WeakPolarHBondContact O-CB 3.43Å; I554-S558 PolarHBondContact O-N 3.43Å; K555-S558 WeakPolarHBondContact O-CB 3.24Å; K555-S558 PolarHBondContact O-N 3.35Å; K555-S558 PolarHBondContact O-OG 3.02Å; S558-R560 PolarHBondContact O-N 3.1Å; S558-R560 VanDerWaalsContact O-N 3.14Å; S558-L561 WeakPolarHBondContact O-CB 3.49Å; S558-L561 PolarHBondContact O-N 3.39Å; S558-L561 VanDerWaalsContact O-N 3.13Å |
| 559 | D | 84.8 | Confident | 82 | Confident | 134 Ų | 134 | 76.1 Ų | 76.1 | 72% | 0.717 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -16.5 | 175.5 | -62.8 | -29.9 | 0 | 0 | 0 | 113.3 | K555 W557 | K555-D559 PolarHBondContact O-N 3.22Å; W557-D559 PolarHBondContact O-N 3Å |
| 560 | R | 87.9 | Confident | 83.5 | Confident | 194 Ų | 194 | 79.7 Ų | 79.7 | 73% | 0.732 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -7 | 178.5 | -63.6 | -176.5 | -74.6 | -175.5 | -4.7 | 113.7 | W557 S558 | W557-R560 WeakPolarHBondContact O-CB 3.37Å; W557-R560 PolarHBondContact O-N 2.85Å; S558-R560 PolarHBondContact O-N 3.1Å; S558-R560 VanDerWaalsContact O-N 3.14Å |
| 561 | L | 87.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -78 | 153.7 | 178.4 | -67.3 | 175.3 | 0 | 0 | 0 | 110.7 | W557 S558 E565 A566 L569 L599 | W557-L561 HydrophobicContact CE3-CD1 4.32Å; W557-L561 HydrophobicContact CH2-CD1 3.76Å; W557-L561 HydrophobicContact CH2-CD2 4.15Å; W557-L561 HydrophobicContact CH2-CG 4.39Å; W557-L561 HydrophobicContact CZ2-CD1 4.09Å; W557-L561 HydrophobicContact CZ2-CD2 3.68Å; W557-L561 HydrophobicContact CZ2-CG 4.22Å; W557-L561 HydrophobicContact CZ3-CD1 3.9Å; S558-L561 WeakPolarHBondContact O-CB 3.49Å; S558-L561 PolarHBondContact O-N 3.39Å; S558-L561 VanDerWaalsContact O-N 3.13Å; L561-E565 HydrophobicContact CB-CB 3.99Å; L561-E565 HydrophobicContact CD1-CB 4.34Å; L561-E565 HydrophobicContact CD2-CB 4.19Å; L561-E565 WeakPolarHBondContact CD2-OE2 3.23Å; L561-E565 HydrophobicContact CG-CB 4.41Å; L561-A566 HydrophobicContact CB-CB 4.25Å; L561-L569 HydrophobicContact CD1-CB 4.37Å; L561-L569 HydrophobicContact CD1-CD2 3.73Å; L561-L599 HydrophobicContact CD1-CD1 4.21Å; L561-L599 HydrophobicContact CD2-CD1 4.47Å |
| 562 | N | 91.7 | Very high | 85.6 | Confident | 84 Ų | 84 | 81.2 Ų | 81.2 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | trans | -68.2 | 164.5 | 167.2 | 67.6 | 47 | 0 | 0 | 0 | 110.4 | D564 E565 A566 | N562-D564 VanDerWaalsContact C-N 3.28Å; N562-D564 PolarHBondContact O-N 3.03Å; N562-D564 PolarHBondContact OD1-N 3.13Å; N562-E565 VanDerWaalsContact ND2-CD 3.28Å; N562-E565 PolarHBondContact ND2-OE2 3.06Å; N562-E565 VanDerWaalsContact ND2-OE2 3.14Å; N562-E565 PolarHBondContact O-N 2.98Å; N562-E565 WeakPolarHBondContact OD1-CB 3.38Å; N562-E565 VanDerWaalsContact OD1-CG 3.29Å; N562-E565 WeakPolarHBondContact OD1-CG 3.37Å; N562-E565 PolarHBondContact OD1-N 3.09Å; N562-A566 WeakPolarHBondContact O-CB 3.16Å; N562-A566 PolarHBondContact O-N 2.99Å | ||
| 563 | Q | 86.5 | Confident | 86.3 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 60% | 0.603 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.9 | -38.6 | -172.9 | -171.8 | 62.5 | 42.7 | 0 | 0 | 113.2 | N567 | Q563-N567 PolarHBondContact NE2-OD1 3.24Å; Q563-N567 WeakPolarHBondContact O-CB 3.46Å; Q563-N567 PolarHBondContact O-N 2.77Å; Q563-N567 PolarHBondContact O-ND2 2.79Å |
| 564 | D | 88.2 | Confident | 86.4 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.7 | -43.8 | -178.7 | -67.8 | -28.1 | 0 | 0 | 0 | 111.4 | N562 N567 L568 | N562-D564 VanDerWaalsContact C-N 3.28Å; N562-D564 PolarHBondContact O-N 3.03Å; N562-D564 PolarHBondContact OD1-N 3.13Å; D564-N567 PolarHBondContact O-N 2.95Å; D564-L568 WeakPolarHBondContact O-CB 3.38Å; D564-L568 PolarHBondContact O-N 2.83Å |
| 565 | E | 89.5 | Confident | 86.6 | Confident | 65 Ų | 65 | 79.6 Ų | 79.6 | 30% | 0.304 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.5 | -73.7 | 175.6 | 156.9 | 0 | 0 | 111.6 | L561 N562 L568 L569 | L561-E565 HydrophobicContact CB-CB 3.99Å; L561-E565 HydrophobicContact CD1-CB 4.34Å; L561-E565 HydrophobicContact CD2-CB 4.19Å; L561-E565 WeakPolarHBondContact CD2-OE2 3.23Å; L561-E565 HydrophobicContact CG-CB 4.41Å; N562-E565 VanDerWaalsContact ND2-CD 3.28Å; N562-E565 PolarHBondContact ND2-OE2 3.06Å; N562-E565 VanDerWaalsContact ND2-OE2 3.14Å; N562-E565 PolarHBondContact O-N 2.98Å; N562-E565 WeakPolarHBondContact OD1-CB 3.38Å; N562-E565 VanDerWaalsContact OD1-CG 3.29Å; N562-E565 WeakPolarHBondContact OD1-CG 3.37Å; N562-E565 PolarHBondContact OD1-N 3.09Å; E565-L568 PolarHBondContact O-N 3.2Å; E565-L569 VanDerWaalsContact O-CB 3.31Å; E565-L569 WeakPolarHBondContact O-CB 3.19Å; E565-L569 PolarHBondContact O-N 3.48Å |
| 566 | A | 87.5 | Confident | 86.8 | Confident | 16 Ų | 16 | 76.3 Ų | 76.3 | 13% | 0.132 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L561 N562 L569 K570 | L561-A566 HydrophobicContact CB-CB 4.25Å; N562-A566 WeakPolarHBondContact O-CB 3.16Å; N562-A566 PolarHBondContact O-N 2.99Å; A566-L569 PolarHBondContact O-N 3.3Å; A566-K570 WeakPolarHBondContact O-CG 3.48Å; A566-K570 PolarHBondContact O-N 3.3Å |
| 567 | N | 87.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 71 Ų | 71 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 175.3 | -75.5 | -20.5 | 0 | 0 | 0 | 111.6 | Q563 D564 K570 K571 | Q563-N567 PolarHBondContact NE2-OD1 3.24Å; Q563-N567 WeakPolarHBondContact O-CB 3.46Å; Q563-N567 PolarHBondContact O-N 2.77Å; Q563-N567 PolarHBondContact O-ND2 2.79Å; D564-N567 PolarHBondContact O-N 2.95Å; N567-K570 PolarHBondContact O-N 2.87Å; N567-K571 PolarHBondContact O-N 3.38Å; N567-K571 VanDerWaalsContact O-N 3.13Å |
| 568 | L | 88.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.7 | -178 | 59.9 | 0 | 0 | 0 | 111.3 | D564 E565 K571 I572 L599 | D564-L568 WeakPolarHBondContact O-CB 3.38Å; D564-L568 PolarHBondContact O-N 2.83Å; E565-L568 PolarHBondContact O-N 3.2Å; L568-K571 WeakPolarHBondContact O-CB 3.45Å; L568-K571 PolarHBondContact O-N 3.09Å; L568-I572 HydrophobicContact CD1-CD1 4.28Å; L568-I572 HydrophobicContact CD1-CG1 4.44Å; L568-I572 HydrophobicContact CG-CD1 3.94Å; L568-I572 VanDerWaalsContact O-CG1 3.26Å; L568-I572 WeakPolarHBondContact O-CG1 3.44Å; L568-I572 PolarHBondContact O-N 2.92Å; L568-L599 HydrophobicContact CB-CD2 4.02Å; L568-L599 HydrophobicContact CD2-CD2 3.83Å; L568-L599 HydrophobicContact CG-CD2 3.81Å |
| 569 | L | 89.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 177 | -179.9 | 64.5 | 0 | 0 | 0 | 111.5 | I554 W557 L561 E565 A566 K571 I572 I573 A595 L599 | I554-L569 HydrophobicContact CG2-CD2 4.47Å; W557-L569 HydrophobicContact CE3-CD2 4.07Å; W557-L569 HydrophobicContact CH2-CD2 4.36Å; W557-L569 HydrophobicContact CZ3-CD1 4.11Å; W557-L569 HydrophobicContact CZ3-CD2 3.5Å; W557-L569 VanDerWaalsContact CZ3-CD2 3.5Å; W557-L569 HydrophobicContact CZ3-CG 4.43Å; L561-L569 HydrophobicContact CD1-CB 4.37Å; L561-L569 HydrophobicContact CD1-CD2 3.73Å; E565-L569 VanDerWaalsContact O-CB 3.31Å; E565-L569 WeakPolarHBondContact O-CB 3.19Å; E565-L569 PolarHBondContact O-N 3.48Å; A566-L569 PolarHBondContact O-N 3.3Å; L569-K571 PolarHBondContact O-N 2.96Å; L569-I572 CarbonylContact O-C 3.49Å; L569-I572 WeakPolarHBondContact O-CB 3.25Å; L569-I572 PolarHBondContact O-N 2.96Å; L569-I573 HydrophobicContact CD1-CD1 4.19Å; L569-I573 HydrophobicContact CD1-CG1 4.24Å; L569-I573 HydrophobicContact CD2-CD1 4.44Å; L569-I573 HydrophobicContact CG-CD1 3.91Å; L569-I573 HydrophobicContact CG-CG1 4.36Å; L569-I573 WeakPolarHBondContact O-CG1 3.39Å; L569-I573 PolarHBondContact O-N 3.03Å; L569-A595 HydrophobicContact CD1-CB 3.99Å; L569-L599 HydrophobicContact CB-CD2 4.17Å |
| 570 | K | 86.9 | Confident | 86.2 | Confident | 125 Ų | 125 | 67.9 Ų | 67.9 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.8 | -40.9 | 176.2 | -76.4 | 176.6 | -177.3 | 175.4 | 0 | 111.8 | A566 N567 R574 | A566-K570 WeakPolarHBondContact O-CG 3.48Å; A566-K570 PolarHBondContact O-N 3.3Å; N567-K570 PolarHBondContact O-N 2.87Å; K570-R574 WeakPolarHBondContact O-CG 3.43Å; K570-R574 PolarHBondContact O-N 3.33Å; K570-R574 VanDerWaalsContact O-N 3.16Å |
| 571 | K | 87 | Confident | 85.6 | Confident | 118 Ų | 118 | 68.4 Ų | 68.4 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.3 | -176.3 | 177.4 | 178.9 | 173.7 | 0 | 111.2 | N567 L568 L569 I573 R574 E575 | N567-K571 PolarHBondContact O-N 3.38Å; N567-K571 VanDerWaalsContact O-N 3.13Å; L568-K571 WeakPolarHBondContact O-CB 3.45Å; L568-K571 PolarHBondContact O-N 3.09Å; L569-K571 PolarHBondContact O-N 2.96Å; K571-I573 PolarHBondContact O-N 3.32Å; K571-R574 PolarHBondContact O-N 3.38Å; K571-E575 WeakPolarHBondContact CE-OE1 3.37Å; K571-E575 WeakPolarHBondContact O-CG 3.38Å; K571-E575 PolarHBondContact O-N 3.11Å |
| 572 | I | 88.8 | Confident | 85 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 179 | -69.7 | 171.3 | 0 | 0 | 0 | 111.9 | L568 L569 E575 F576 L598 L599 | L568-I572 HydrophobicContact CD1-CD1 4.28Å; L568-I572 HydrophobicContact CD1-CG1 4.44Å; L568-I572 HydrophobicContact CG-CD1 3.94Å; L568-I572 VanDerWaalsContact O-CG1 3.26Å; L568-I572 WeakPolarHBondContact O-CG1 3.44Å; L568-I572 PolarHBondContact O-N 2.92Å; L569-I572 CarbonylContact O-C 3.49Å; L569-I572 WeakPolarHBondContact O-CB 3.25Å; L569-I572 PolarHBondContact O-N 2.96Å; I572-E575 WeakPolarHBondContact O-CB 3.38Å; I572-E575 PolarHBondContact O-N 2.86Å; I572-F576 WeakPolarHBondContact O-CB 3.46Å; I572-F576 PolarHBondContact O-N 3.35Å; I572-L598 HydrophobicContact CD1-CB 4.26Å; I572-L598 HydrophobicContact CG2-CB 3.92Å; I572-L598 HydrophobicContact CG2-CD1 3.87Å; I572-L598 HydrophobicContact CG2-CD2 4.49Å; I572-L598 HydrophobicContact CG2-CG 4.32Å; I572-L599 HydrophobicContact CD1-CD2 3.97Å |
| 573 | I | 86.7 | Confident | 84.3 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -46 | 177.7 | -69.7 | 172.3 | 0 | 0 | 0 | 109.9 | E550 I554 L569 K571 E575 F576 E577 | E550-I573 HydrophobicContact CG-CD1 4.4Å; I554-I573 HydrophobicContact CG2-CD1 4.12Å; L569-I573 HydrophobicContact CD1-CD1 4.19Å; L569-I573 HydrophobicContact CD1-CG1 4.24Å; L569-I573 HydrophobicContact CD2-CD1 4.44Å; L569-I573 HydrophobicContact CG-CD1 3.91Å; L569-I573 HydrophobicContact CG-CG1 4.36Å; L569-I573 WeakPolarHBondContact O-CG1 3.39Å; L569-I573 PolarHBondContact O-N 3.03Å; K571-I573 PolarHBondContact O-N 3.32Å; I573-E575 PolarHBondContact O-N 3.04Å; I573-F576 WeakPolarHBondContact O-CB 3.32Å; I573-F576 PolarHBondContact O-N 3.04Å; I573-F576 VanDerWaalsContact O-N 3.14Å; I573-E577 HydrophobicContact CG2-CG 4.36Å; I573-E577 WeakPolarHBondContact O-CG 3.17Å; I573-E577 PolarHBondContact O-N 2.85Å |
| 574 | R | 83.5 | Confident | 83.9 | Confident | 184 Ų | 184 | 64.4 Ų | 64.4 | 69% | 0.694 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 174.9 | -70.9 | 177.2 | 179.5 | -178.8 | -0.6 | 113 | K570 K571 F576 E577 L578 | K570-R574 WeakPolarHBondContact O-CG 3.43Å; K570-R574 PolarHBondContact O-N 3.33Å; K570-R574 VanDerWaalsContact O-N 3.16Å; K571-R574 PolarHBondContact O-N 3.38Å; R574-F576 VanDerWaalsContact C-N 3.29Å; R574-F576 PolarHBondContact O-N 3.49Å; R574-E577 PolarHBondContact O-N 2.83Å; R574-L578 PolarHBondContact O-N 3.38Å; R574-L578 VanDerWaalsContact O-N 3.1Å |
| 575 | E | 84.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 173.4 | -69.4 | 177.1 | -175.8 | 0 | 0 | 110.3 | K571 I572 I573 Y579 R607 V892 | K571-E575 WeakPolarHBondContact CE-OE1 3.37Å; K571-E575 WeakPolarHBondContact O-CG 3.38Å; K571-E575 PolarHBondContact O-N 3.11Å; I572-E575 WeakPolarHBondContact O-CB 3.38Å; I572-E575 PolarHBondContact O-N 2.86Å; I573-E575 PolarHBondContact O-N 3.04Å; E575-Y579 HydrophobicContact CB-CD2 4.48Å; E575-Y579 HydrophobicContact CB-CE2 4.04Å; E575-Y579 WeakPolarHBondContact O-CD2 3.36Å; E575-Y579 PolarHBondContact O-N 3.19Å; E575-R607 VanDerWaalsContact CD-NH2 3.33Å; E575-R607 IonicContact OE1-CZ 3.58Å; E575-R607 IonicContact OE1-NH2 2.74Å; E575-R607 PolarHBondContact OE1-NH2 3.03Å; E575-R607 IonicContact OE2-CZ 3.62Å; E575-R607 IonicContact OE2-NE 3.52Å; E575-R607 PolarHBondContact OE2-NE 3.39Å; E575-R607 IonicContact OE2-NH2 2.79Å; E575-R607 PolarHBondContact OE2-NH2 3.27Å; E575-V892 HydrophobicContact CG-CG1 3.85Å |
| 576 | F | 85.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 179.3 | 169.3 | -122.6 | 0 | 0 | 0 | 112.8 | F549 I572 I573 R574 L578 Y579 K580 L586 P587 L590 L611 | F549-F576 HydrophobicContact CB-CD1 4.42Å; F549-F576 HydrophobicContact CB-CE1 4.03Å; F549-F576 AromaticContact CD1-CE1 3.95Å; F549-F576 HydrophobicContact CD1-CE1 3.95Å; F549-F576 HydrophobicContact CD1-CZ 4.24Å; F549-F576 HydrophobicContact CG-CE1 4.32Å; I572-F576 WeakPolarHBondContact O-CB 3.46Å; I572-F576 PolarHBondContact O-N 3.35Å; I573-F576 WeakPolarHBondContact O-CB 3.32Å; I573-F576 PolarHBondContact O-N 3.04Å; I573-F576 VanDerWaalsContact O-N 3.14Å; R574-F576 VanDerWaalsContact C-N 3.29Å; R574-F576 PolarHBondContact O-N 3.49Å; F576-L578 VanDerWaalsContact C-N 3.32Å; F576-L578 PolarHBondContact O-N 2.96Å; F576-Y579 PolarHBondContact O-N 2.87Å; F576-K580 HydrophobicContact CD2-CB 4.39Å; F576-K580 HydrophobicContact CE2-CB 4.07Å; F576-K580 HydrophobicContact CE2-CG 4.46Å; F576-K580 HydrophobicContact CZ-CB 4.47Å; F576-K580 VanDerWaalsContact O-CB 3.25Å; F576-K580 WeakPolarHBondContact O-CB 3.49Å; F576-K580 PolarHBondContact O-N 2.99Å; F576-L586 HydrophobicContact CE2-CB 4.42Å; F576-P587 HydrophobicContact CE2-CG 3.82Å; F576-P587 HydrophobicContact CZ-CG 4.13Å; F576-P587 VanDerWaalsContact CZ-O 3.26Å; F576-P587 WeakPolarHBondContact CZ-O 3.47Å; F576-L590 HydrophobicContact CD1-CD1 3.65Å; F576-L590 HydrophobicContact CD1-CG 4.02Å; F576-L590 HydrophobicContact CE1-CD1 3.98Å; F576-L590 HydrophobicContact CE1-CG 3.8Å; F576-L590 HydrophobicContact CG-CD1 4.11Å; F576-L590 HydrophobicContact CZ-CG 4.24Å; F576-L611 HydrophobicContact CB-CD1 4.21Å; F576-L611 HydrophobicContact CD2-CD1 4Å; F576-L611 HydrophobicContact CD2-CD2 3.72Å; F576-L611 HydrophobicContact CD2-CG 4.43Å; F576-L611 HydrophobicContact CE2-CD2 4.18Å; F576-L611 HydrophobicContact CG-CD2 4.31Å |
| 577 | E | 80.6 | Confident | 83.2 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.4 | -47.9 | 176.3 | -74.1 | 170.4 | 171.4 | 0 | 0 | 111 | F549 I573 R574 K580 Y581 | F549-E577 HydrophobicContact CB-CG 4.15Å; F549-E577 HydrophobicContact CD2-CG 3.93Å; F549-E577 HydrophobicContact CG-CG 4.26Å; I573-E577 HydrophobicContact CG2-CG 4.36Å; I573-E577 WeakPolarHBondContact O-CG 3.17Å; I573-E577 PolarHBondContact O-N 2.85Å; R574-E577 PolarHBondContact O-N 2.83Å; E577-K580 PolarHBondContact O-N 3.06Å; E577-Y581 WeakPolarHBondContact O-CB 3.22Å; E577-Y581 PolarHBondContact O-N 3.23Å |
| 578 | L | 79.8 | Confident | 83 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 178.4 | -168.6 | 73.8 | 0 | 0 | 0 | 111.6 | R574 F576 K580 Y581 L582 M891 V892 | R574-L578 PolarHBondContact O-N 3.38Å; R574-L578 VanDerWaalsContact O-N 3.1Å; F576-L578 VanDerWaalsContact C-N 3.32Å; F576-L578 PolarHBondContact O-N 2.96Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.37Å; L578-Y581 PolarHBondContact O-N 2.96Å; L578-L582 HydrophobicContact CG-CD1 4.33Å; L578-L582 WeakPolarHBondContact O-CG 3.2Å; L578-L582 PolarHBondContact O-N 3.49Å; L578-L582 VanDerWaalsContact O-N 3.14Å; L578-M891 HydrophobicContact CD2-CB 4.37Å; L578-M891 WeakPolarHBondContact CD2-O 3.35Å; L578-V892 HydrophobicContact CD2-CG2 3.51Å |
| 579 | Y | 83 | Confident | 82.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 179.6 | -63.2 | -44.6 | 0 | 0 | 0 | 112.3 | E575 F576 L582 D583 L586 L608 L611 L888 V892 | E575-Y579 HydrophobicContact CB-CD2 4.48Å; E575-Y579 HydrophobicContact CB-CE2 4.04Å; E575-Y579 WeakPolarHBondContact O-CD2 3.36Å; E575-Y579 PolarHBondContact O-N 3.19Å; F576-Y579 PolarHBondContact O-N 2.87Å; Y579-L582 PolarHBondContact O-N 2.88Å; Y579-D583 VanDerWaalsContact O-CB 3.31Å; Y579-D583 WeakPolarHBondContact O-CB 3.43Å; Y579-D583 PolarHBondContact O-N 3.49Å; Y579-L586 HydrophobicContact CG-CD1 4.45Å; Y579-L586 WeakPolarHBondContact O-CD1 3.38Å; Y579-L608 HydrophobicContact CD1-CD1 4.26Å; Y579-L608 HydrophobicContact CD2-CD1 3.73Å; Y579-L608 HydrophobicContact CE1-CD1 4.47Å; Y579-L608 HydrophobicContact CE1-CD2 4.44Å; Y579-L608 HydrophobicContact CE2-CB 4.31Å; Y579-L608 HydrophobicContact CE2-CD1 4.01Å; Y579-L608 HydrophobicContact CG-CD1 3.89Å; Y579-L611 HydrophobicContact CD2-CD1 4.21Å; Y579-L888 HydrophobicContact CD1-CB 4.05Å; Y579-L888 HydrophobicContact CD1-CD2 4.35Å; Y579-L888 HydrophobicContact CE1-CB 4.22Å; Y579-L888 VanDerWaalsContact CE1-O 3.28Å; Y579-L888 WeakPolarHBondContact CE1-O 3.31Å; Y579-V892 HydrophobicContact CD1-CG2 3.88Å; Y579-V892 HydrophobicContact CE1-CB 4.06Å; Y579-V892 HydrophobicContact CE1-CG2 3.19Å; Y579-V892 HydrophobicContact CE2-CG2 4.31Å; Y579-V892 VanDerWaalsContact CZ-CG2 3.44Å |
| 580 | K | 80 | Confident | 82.5 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.6 | -35.6 | -179 | -179.9 | 57.7 | 178.5 | -178.6 | 0 | 111.6 | F549 F576 E577 L578 L582 D583 S584 L586 P587 | F549-K580 HydrophobicContact CD1-CG 4.24Å; F549-K580 HydrophobicContact CE1-CB 4.28Å; F549-K580 HydrophobicContact CE1-CG 3.45Å; F549-K580 VanDerWaalsContact CE1-CG 3.45Å; F549-K580 HydrophobicContact CZ-CG 3.91Å; F576-K580 HydrophobicContact CD2-CB 4.39Å; F576-K580 HydrophobicContact CE2-CB 4.07Å; F576-K580 HydrophobicContact CE2-CG 4.46Å; F576-K580 HydrophobicContact CZ-CB 4.47Å; F576-K580 VanDerWaalsContact O-CB 3.25Å; F576-K580 WeakPolarHBondContact O-CB 3.49Å; F576-K580 PolarHBondContact O-N 2.99Å; E577-K580 PolarHBondContact O-N 3.06Å; L578-K580 VanDerWaalsContact C-N 3.29Å; L578-K580 PolarHBondContact O-N 3.37Å; K580-L582 VanDerWaalsContact C-N 3.3Å; K580-L582 PolarHBondContact O-N 2.73Å; K580-D583 CarbonylContact O-C 3.57Å; K580-D583 PolarHBondContact O-N 3.26Å; K580-S584 PolarHBondContact NZ-O 2.9Å; K580-L586 HydrophobicContact CD-CB 3.86Å; K580-L586 PolarHBondContact NZ-O 3.42Å; K580-P587 WeakPolarHBondContact CD-O 3.46Å; K580-P587 WeakPolarHBondContact CE-O 3.13Å |
| 581 | Y | 74.2 | Confident | 82.5 | Confident | 204 Ų | 204 | 57.5 Ų | 57.5 | 80% | 0.8 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60.1 | -42 | 170.5 | -176.5 | -97.8 | 0 | 0 | 0 | 111.7 | E577 L578 | E577-Y581 WeakPolarHBondContact O-CB 3.22Å; E577-Y581 PolarHBondContact O-N 3.23Å; L578-Y581 PolarHBondContact O-N 2.96Å |
| 582 | L | 75.7 | Confident | 82.4 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 32% | 0.319 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77.6 | -20.3 | 178.6 | -65 | 172.2 | 0 | 0 | 0 | 113.7 | L578 Y579 K580 L888 M891 | L578-L582 HydrophobicContact CG-CD1 4.33Å; L578-L582 WeakPolarHBondContact O-CG 3.2Å; L578-L582 PolarHBondContact O-N 3.49Å; L578-L582 VanDerWaalsContact O-N 3.14Å; Y579-L582 PolarHBondContact O-N 2.88Å; K580-L582 VanDerWaalsContact C-N 3.3Å; K580-L582 PolarHBondContact O-N 2.73Å; L582-L888 HydrophobicContact CB-CD2 3.7Å; L582-L888 HydrophobicContact CD1-CD2 4.11Å; L582-M891 HydrophobicContact CD1-CB 3.72Å; L582-M891 HydrophobicContact CD1-CG 3.75Å |
| 583 | D | 77.6 | Confident | 82.2 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | trans | -148.2 | 105.8 | -169.8 | -156 | -53.3 | 0 | 0 | 0 | 113.7 | Y579 K580 N585 L586 R884 L888 | Y579-D583 VanDerWaalsContact O-CB 3.31Å; Y579-D583 WeakPolarHBondContact O-CB 3.43Å; Y579-D583 PolarHBondContact O-N 3.49Å; K580-D583 CarbonylContact O-C 3.57Å; K580-D583 PolarHBondContact O-N 3.26Å; D583-N585 PolarHBondContact O-N 2.54Å; D583-N585 VanDerWaalsContact O-N 3.09Å; D583-N585 WeakPolarHBondContact OD1-CB 3.13Å; D583-N585 PolarHBondContact OD1-N 3.18Å; D583-N585 PolarHBondContact OD1-ND2 3.15Å; D583-L586 HydrophobicContact CB-CD1 4.41Å; D583-L586 HydrophobicContact CB-CG 4.33Å; D583-L586 PolarHBondContact O-N 2.89Å; D583-R884 IonicContact OD1-CZ 2.83Å; D583-R884 IonicContact OD1-NE 3.01Å; D583-R884 IonicContact OD1-NH2 2.87Å; D583-R884 PolarHBondContact OD1-NH2 3.28Å; D583-R884 IonicContact OD2-CZ 2.9Å; D583-R884 IonicContact OD2-NE 3.73Å; D583-R884 PolarHBondContact OD2-NE 3.1Å; D583-R884 IonicContact OD2-NH1 3.46Å; D583-R884 IonicContact OD2-NH2 3.32Å; D583-R884 PolarHBondContact OD2-NH2 3.4Å; D583-L888 HydrophobicContact CB-CD1 4.15Å; D583-L888 HydrophobicContact CB-CD2 4.19Å | ||
| 584 | S | 77.4 | Confident | 82.3 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | K580 L586 | K580-S584 PolarHBondContact NZ-O 2.9Å; S584-L586 VanDerWaalsContact C-N 3.26Å; S584-L586 PolarHBondContact O-N 2.94Å |
| 585 | N | 80.3 | Confident | 82.5 | Confident | 79 Ų | 79 | 51.8 Ų | 51.8 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.9 | -176.9 | -53.7 | -78.6 | 0 | 0 | 0 | 114.7 | D583 G615 | D583-N585 PolarHBondContact O-N 2.54Å; D583-N585 VanDerWaalsContact O-N 3.09Å; D583-N585 WeakPolarHBondContact OD1-CB 3.13Å; D583-N585 PolarHBondContact OD1-N 3.18Å; D583-N585 PolarHBondContact OD1-ND2 3.15Å; N585-G615 CarbonylContact O-C 3.58Å; N585-G615 VanDerWaalsContact O-CA 3.32Å; N585-G615 WeakPolarHBondContact O-CA 3.31Å |
| 586 | L | 84.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -81.5 | 162 | 172.6 | -65.4 | -175.2 | 0 | 0 | 0 | 110.6 | F576 Y579 K580 D583 S584 L608 L611 | F576-L586 HydrophobicContact CE2-CB 4.42Å; Y579-L586 HydrophobicContact CG-CD1 4.45Å; Y579-L586 WeakPolarHBondContact O-CD1 3.38Å; K580-L586 HydrophobicContact CD-CB 3.86Å; K580-L586 PolarHBondContact NZ-O 3.42Å; D583-L586 HydrophobicContact CB-CD1 4.41Å; D583-L586 HydrophobicContact CB-CG 4.33Å; D583-L586 PolarHBondContact O-N 2.89Å; S584-L586 VanDerWaalsContact C-N 3.26Å; S584-L586 PolarHBondContact O-N 2.94Å; L586-L608 HydrophobicContact CD1-CD1 4.41Å; L586-L608 HydrophobicContact CD2-CD1 4.45Å; L586-L611 HydrophobicContact CD2-CB 3.97Å |
| 587 | P | 86.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | trans | -60.1 | 150 | -177.9 | 26.2 | -35.8 | 0 | 0 | 0 | 111.3 | F576 K580 L590 L611 L614 E618 | F576-P587 HydrophobicContact CE2-CG 3.82Å; F576-P587 HydrophobicContact CZ-CG 4.13Å; F576-P587 VanDerWaalsContact CZ-O 3.26Å; F576-P587 WeakPolarHBondContact CZ-O 3.47Å; K580-P587 WeakPolarHBondContact CD-O 3.46Å; K580-P587 WeakPolarHBondContact CE-O 3.13Å; P587-L590 HydrophobicContact CG-CD2 4.3Å; P587-L611 VanDerWaalsContact CD-O 3.24Å; P587-L611 WeakPolarHBondContact CD-O 3.33Å; P587-L611 HydrophobicContact CG-CD2 4.25Å; P587-L614 HydrophobicContact CB-CB 4.11Å; P587-L614 HydrophobicContact CG-CB 3.86Å; P587-L614 HydrophobicContact CG-CD1 4.39Å; P587-E618 WeakPolarHBondContact CA-OE2 3.37Å; P587-E618 VanDerWaalsContact CB-OE2 3.29Å; P587-E618 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 588 | S | 82 | Confident | 83.1 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -67.8 | -38.6 | 176.8 | 53 | 0 | 0 | 0 | 0 | 112 | F549 E618 | F549-S588 WeakPolarHBondContact CD1-O 3.24Å; S588-E618 WeakPolarHBondContact CB-OE1 3.3Å; S588-E618 PolarHBondContact N-OE1 3.49Å; S588-E618 PolarHBondContact N-OE2 2.78Å; S588-E618 PolarHBondContact OG-OE1 3.03Å |
| 589 | R | 83 | Confident | 83.5 | Confident | 149 Ų | 149 | 51.6 Ų | 51.6 | 56% | 0.562 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -145.6 | 158.1 | -177.1 | 58.6 | -175 | 173.2 | -167.5 | -1.8 | 111.5 | ||
| 590 | L | 84.9 | Confident | 83.5 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | trans | -101.7 | 143.2 | 172.5 | -65.9 | 174.4 | 0 | 0 | 0 | 110.5 | I554 F576 P587 Q594 L598 L611 L614 | I554-L590 HydrophobicContact CD1-CB 3.71Å; I554-L590 VanDerWaalsContact CD1-O 3.25Å; I554-L590 WeakPolarHBondContact CD1-O 3.37Å; F576-L590 HydrophobicContact CD1-CD1 3.65Å; F576-L590 HydrophobicContact CD1-CG 4.02Å; F576-L590 HydrophobicContact CE1-CD1 3.98Å; F576-L590 HydrophobicContact CE1-CG 3.8Å; F576-L590 HydrophobicContact CG-CD1 4.11Å; F576-L590 HydrophobicContact CZ-CG 4.24Å; P587-L590 HydrophobicContact CG-CD2 4.3Å; L590-Q594 HydrophobicContact CD2-CB 4.21Å; L590-L598 HydrophobicContact CD1-CD1 3.89Å; L590-L598 HydrophobicContact CD2-CD1 4.13Å; L590-L611 HydrophobicContact CD2-CD2 3.96Å; L590-L614 HydrophobicContact CD2-CD1 4.13Å | ||
| 591 | T | 87.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | trans | -94.7 | 159.1 | 165 | 57.2 | 0 | 0 | 0 | 0 | 109.7 | K593 Q594 A595 | T591-K593 VanDerWaalsContact C-N 3.28Å; T591-K593 PolarHBondContact O-N 2.71Å; T591-Q594 WeakPolarHBondContact O-CB 3.48Å; T591-Q594 PolarHBondContact O-N 2.94Å; T591-Q594 VanDerWaalsContact OG1-CG 3.23Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.29Å; T591-Q594 PolarHBondContact OG1-N 2.83Å; T591-Q594 PolarHBondContact OG1-OE1 3.31Å; T591-A595 PolarHBondContact O-N 3.27Å | ||
| 592 | V | 85.5 | Confident | 84 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -50.5 | -47.7 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | E553 I554 W557 Q594 A595 E596 | E553-V592 HydrophobicContact CB-CG2 4.26Å; I554-V592 HydrophobicContact CG1-CG2 4.27Å; W557-V592 HydrophobicContact CB-CG1 4.13Å; W557-V592 HydrophobicContact CB-CG2 3.92Å; W557-V592 HydrophobicContact CD2-CG1 3.59Å; W557-V592 HydrophobicContact CE3-CG1 4.23Å; W557-V592 HydrophobicContact CG-CB 4.46Å; W557-V592 HydrophobicContact CG-CG1 3.48Å; W557-V592 VanDerWaalsContact CG-CG1 3.48Å; W557-V592 HydrophobicContact CG-CG2 4.17Å; V592-Q594 VanDerWaalsContact C-N 3.28Å; V592-Q594 PolarHBondContact O-N 3.33Å; V592-A595 WeakPolarHBondContact O-CB 3.46Å; V592-A595 PolarHBondContact O-N 3.09Å; V592-A595 VanDerWaalsContact O-N 3.11Å; V592-E596 HydrophobicContact CG1-CG 4.5Å; V592-E596 WeakPolarHBondContact O-CG 3.31Å; V592-E596 PolarHBondContact O-N 2.93Å |
| 593 | K | 83.7 | Confident | 84.4 | Confident | 126 Ų | 126 | 49 Ų | 49 | 55% | 0.548 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -32.8 | 177.9 | -69.7 | -169.7 | 176.2 | -169.6 | 0 | 113.6 | T591 R597 | T591-K593 VanDerWaalsContact C-N 3.28Å; T591-K593 PolarHBondContact O-N 2.71Å; K593-R597 PolarHBondContact O-N 3.3Å |
| 594 | Q | 88.7 | Confident | 84.8 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.8 | -37.4 | 176.5 | -71.7 | 162.5 | -23.9 | 0 | 0 | 111.4 | L590 T591 V592 R597 L598 L614 | L590-Q594 HydrophobicContact CD2-CB 4.21Å; T591-Q594 WeakPolarHBondContact O-CB 3.48Å; T591-Q594 PolarHBondContact O-N 2.94Å; T591-Q594 VanDerWaalsContact OG1-CG 3.23Å; T591-Q594 WeakPolarHBondContact OG1-CG 3.29Å; T591-Q594 PolarHBondContact OG1-N 2.83Å; T591-Q594 PolarHBondContact OG1-OE1 3.31Å; V592-Q594 VanDerWaalsContact C-N 3.28Å; V592-Q594 PolarHBondContact O-N 3.33Å; Q594-R597 WeakPolarHBondContact O-CB 3.25Å; Q594-R597 PolarHBondContact O-N 3.49Å; Q594-L598 WeakPolarHBondContact O-CG 3.48Å; Q594-L598 PolarHBondContact O-N 3.46Å; Q594-L614 HydrophobicContact CB-CD1 3.99Å; Q594-L614 HydrophobicContact CG-CD1 3.8Å; Q594-L614 HydrophobicContact CG-CD2 4.1Å |
| 595 | A | 88.9 | Confident | 85.2 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W557 L569 T591 V592 R597 L598 L599 | W557-A595 HydrophobicContact CH2-CB 4.15Å; W557-A595 HydrophobicContact CZ3-CB 3.74Å; L569-A595 HydrophobicContact CD1-CB 3.99Å; T591-A595 PolarHBondContact O-N 3.27Å; V592-A595 WeakPolarHBondContact O-CB 3.46Å; V592-A595 PolarHBondContact O-N 3.09Å; V592-A595 VanDerWaalsContact O-N 3.11Å; A595-R597 PolarHBondContact O-N 2.88Å; A595-L598 WeakPolarHBondContact O-CB 3.09Å; A595-L598 PolarHBondContact O-N 3.49Å; A595-L599 PolarHBondContact O-N 3.32Å; A595-L599 VanDerWaalsContact O-N 3.1Å |
| 596 | E | 86.9 | Confident | 85.4 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -52.6 | -44 | 171 | -76.6 | 173.3 | 175.3 | 0 | 0 | 111.7 | W557 V592 L598 L599 I600 | W557-E596 HydrophobicContact CH2-CG 3.82Å; W557-E596 HydrophobicContact CZ2-CB 4.4Å; W557-E596 HydrophobicContact CZ2-CG 3.24Å; W557-E596 PolarHBondContact NE1-OE1 3.43Å; V592-E596 HydrophobicContact CG1-CG 4.5Å; V592-E596 WeakPolarHBondContact O-CG 3.31Å; V592-E596 PolarHBondContact O-N 2.93Å; E596-L598 VanDerWaalsContact C-N 3.33Å; E596-L598 PolarHBondContact O-N 3.07Å; E596-L599 PolarHBondContact O-N 3.14Å; E596-I600 WeakPolarHBondContact O-CG1 3.45Å; E596-I600 PolarHBondContact O-N 3.37Å |
| 597 | R | 85.9 | Confident | 85.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67 | -35 | 179 | -150.4 | 118.9 | 174.3 | 166.4 | 2.3 | 112.6 | K593 Q594 A595 L599 I600 L601 Y610 P700 D740 | K593-R597 PolarHBondContact O-N 3.3Å; Q594-R597 WeakPolarHBondContact O-CB 3.25Å; Q594-R597 PolarHBondContact O-N 3.49Å; A595-R597 PolarHBondContact O-N 2.88Å; R597-L599 VanDerWaalsContact C-N 3.32Å; R597-I600 PolarHBondContact O-N 2.99Å; R597-L601 WeakPolarHBondContact O-CG 3.48Å; R597-Y610 HydrophobicContact CB-CE1 3.82Å; R597-Y610 WeakPolarHBondContact CB-OH 3.21Å; R597-Y610 HydrophobicContact CG-CE1 4.15Å; R597-Y610 HydrophobicContact CG-CE2 4.12Å; R597-P700 HydrophobicContact CG-CB 3.7Å; R597-P700 HydrophobicContact CG-CG 4.44Å; R597-P700 VanDerWaalsContact NE-CB 3.34Å; R597-P700 PolarHBondContact NE-O 2.89Å; R597-P700 PolarHBondContact NH2-O 2.91Å; R597-D740 IonicContact CZ-OD2 3.16Å; R597-D740 VanDerWaalsContact CZ-OD2 3.27Å; R597-D740 VanDerWaalsContact NH1-CG 3.28Å; R597-D740 IonicContact NH1-OD1 3.05Å; R597-D740 PolarHBondContact NH1-OD1 2.83Å; R597-D740 IonicContact NH1-OD2 3.94Å; R597-D740 PolarHBondContact NH1-OD2 3.01Å; R597-D740 IonicContact NH2-OD2 2.6Å; R597-D740 PolarHBondContact NH2-OD2 3.1Å |
| 598 | L | 89.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68 | -32.9 | 177 | -76.2 | 163.7 | 0 | 0 | 0 | 112.1 | I572 L590 Q594 A595 E596 I600 L601 R607 Y610 L611 | I572-L598 HydrophobicContact CD1-CB 4.26Å; I572-L598 HydrophobicContact CG2-CB 3.92Å; I572-L598 HydrophobicContact CG2-CD1 3.87Å; I572-L598 HydrophobicContact CG2-CD2 4.49Å; I572-L598 HydrophobicContact CG2-CG 4.32Å; L590-L598 HydrophobicContact CD1-CD1 3.89Å; L590-L598 HydrophobicContact CD2-CD1 4.13Å; Q594-L598 WeakPolarHBondContact O-CG 3.48Å; Q594-L598 PolarHBondContact O-N 3.46Å; A595-L598 WeakPolarHBondContact O-CB 3.09Å; A595-L598 PolarHBondContact O-N 3.49Å; E596-L598 VanDerWaalsContact C-N 3.33Å; E596-L598 PolarHBondContact O-N 3.07Å; L598-I600 VanDerWaalsContact C-N 3.27Å; L598-I600 PolarHBondContact O-N 3.22Å; L598-L601 PolarHBondContact O-N 3.43Å; L598-R607 HydrophobicContact CD2-CB 3.83Å; L598-R607 HydrophobicContact CD2-CG 3.91Å; L598-Y610 HydrophobicContact CD2-CD1 3.64Å; L598-Y610 HydrophobicContact CD2-CE1 4.37Å; L598-Y610 HydrophobicContact CG-CD1 3.85Å; L598-Y610 HydrophobicContact CG-CE1 4.08Å; L598-L611 HydrophobicContact CD1-CD2 4.01Å; L598-L611 HydrophobicContact CD2-CD2 4.28Å; L598-L611 HydrophobicContact CD2-CG 4.15Å |
| 599 | L | 87.6 | Confident | 86 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.5 | -28.9 | 174.7 | -71.4 | 172.8 | 0 | 0 | 0 | 112.8 | W557 L561 L568 L569 I572 A595 E596 R597 L601 | W557-L599 HydrophobicContact CH2-CD1 3.74Å; W557-L599 HydrophobicContact CZ2-CD1 4.4Å; L561-L599 HydrophobicContact CD1-CD1 4.21Å; L561-L599 HydrophobicContact CD2-CD1 4.47Å; L568-L599 HydrophobicContact CB-CD2 4.02Å; L568-L599 HydrophobicContact CD2-CD2 3.83Å; L568-L599 HydrophobicContact CG-CD2 3.81Å; L569-L599 HydrophobicContact CB-CD2 4.17Å; I572-L599 HydrophobicContact CD1-CD2 3.97Å; A595-L599 PolarHBondContact O-N 3.32Å; A595-L599 VanDerWaalsContact O-N 3.1Å; E596-L599 PolarHBondContact O-N 3.14Å; R597-L599 VanDerWaalsContact C-N 3.32Å; L599-L601 VanDerWaalsContact C-N 3.33Å |
| 600 | I | 84.5 | Confident | 86.3 | Confident | 73 Ų | 73 | 47.5 Ų | 47.5 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.3 | 179.1 | -59.8 | 166.5 | 0 | 0 | 0 | 112 | E596 R597 L598 P700 | E596-I600 WeakPolarHBondContact O-CG1 3.45Å; E596-I600 PolarHBondContact O-N 3.37Å; R597-I600 PolarHBondContact O-N 2.99Å; L598-I600 VanDerWaalsContact C-N 3.27Å; L598-I600 PolarHBondContact O-N 3.22Å; I600-P700 HydrophobicContact CG2-CG 4.22Å |
| 601 | L | 85 | Confident | 86.6 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.9 | 121.5 | -171.6 | -69.1 | 172.3 | 0 | 0 | 0 | 112.8 | R597 L598 L599 G603 Q606 R607 Y610 P700 | R597-L601 WeakPolarHBondContact O-CG 3.48Å; L598-L601 PolarHBondContact O-N 3.43Å; L599-L601 VanDerWaalsContact C-N 3.33Å; L601-G603 PolarHBondContact O-N 2.67Å; L601-Q606 HydrophobicContact CB-CB 4.11Å; L601-Q606 HydrophobicContact CD2-CB 4.33Å; L601-R607 HydrophobicContact CB-CG 3.95Å; L601-R607 PolarHBondContact O-NH1 3.49Å; L601-Y610 VanDerWaalsContact CD1-CB 3.49Å; L601-Y610 HydrophobicContact CD1-CD1 4.08Å; L601-Y610 HydrophobicContact CD1-CG 3.81Å; L601-P700 HydrophobicContact CD2-CB 4.3Å; L601-P700 HydrophobicContact CD2-CG 3.77Å; L601-P700 HydrophobicContact CG-CG 4.46Å |
| 602 | D | 79.3 | Confident | 86.8 | Confident | 130 Ų | 130 | 45 Ų | 45 | 70% | 0.695 | 23% | 0.225 | S | C | * | . | trans | -74.2 | 111.4 | 178 | -61.3 | -43.1 | 0 | 0 | 0 | 111.9 | Q606 | D602-Q606 WeakPolarHBondContact O-CG 3.35Å; D602-Q606 PolarHBondContact O-NE2 3.04Å | ||
| 603 | G | 83.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 86.5 | 157.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | L601 T605 Q606 R607 | L601-G603 PolarHBondContact O-N 2.67Å; G603-T605 VanDerWaalsContact C-N 3.31Å; G603-T605 PolarHBondContact O-N 2.96Å; G603-Q606 PolarHBondContact O-N 2.98Å; G603-R607 PolarHBondContact O-N 2.62Å |
| 604 | K | 85.8 | Confident | 87.3 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.4 | -42.5 | -174.8 | -62 | -178.5 | -174.4 | 176 | 0 | 112.5 | Q606 R607 L608 L889 V892 D893 | K604-Q606 PolarHBondContact O-N 2.9Å; K604-R607 PolarHBondContact O-N 3.15Å; K604-L608 WeakPolarHBondContact O-CB 3.32Å; K604-L608 PolarHBondContact O-N 2.93Å; K604-L889 HydrophobicContact CB-CD2 3.96Å; K604-V892 HydrophobicContact CD-CG1 3.85Å; K604-V892 PolarHBondContact NZ-O 2.98Å; K604-D893 IonicContact NZ-OD1 3.4Å; K604-D893 PolarHBondContact NZ-OD1 2.94Å |
| 605 | T | 85.8 | Confident | 87.3 | Confident | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.362 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | -178.5 | -53.7 | 0 | 0 | 0 | 0 | 113 | G603 R609 L889 | G603-T605 VanDerWaalsContact C-N 3.31Å; G603-T605 PolarHBondContact O-N 2.96Å; T605-R609 WeakPolarHBondContact O-CB 3.24Å; T605-R609 VanDerWaalsContact O-CG 3.26Å; T605-R609 WeakPolarHBondContact O-CG 3.26Å; T605-R609 PolarHBondContact O-N 3.26Å; T605-R609 VanDerWaalsContact O-N 3.09Å; T605-L889 HydrophobicContact CG2-CD1 4.21Å |
| 606 | Q | 84.6 | Confident | 87.3 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.8 | -43.9 | 179 | -63.5 | -166 | 40 | 0 | 0 | 111 | L601 D602 G603 K604 R609 Y610 | L601-Q606 HydrophobicContact CB-CB 4.11Å; L601-Q606 HydrophobicContact CD2-CB 4.33Å; D602-Q606 WeakPolarHBondContact O-CG 3.35Å; D602-Q606 PolarHBondContact O-NE2 3.04Å; G603-Q606 PolarHBondContact O-N 2.98Å; K604-Q606 PolarHBondContact O-N 2.9Å; Q606-R609 PolarHBondContact O-N 2.96Å; Q606-Y610 PolarHBondContact O-N 2.81Å |
| 607 | R | 90.6 | Very high | 87.3 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 6% | 0.064 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -47 | 175.2 | -69.2 | -167.3 | -66.5 | -95.3 | 10.3 | 112.2 | E575 L598 L601 G603 K604 R609 Y610 L611 | E575-R607 VanDerWaalsContact CD-NH2 3.33Å; E575-R607 IonicContact OE1-CZ 3.58Å; E575-R607 IonicContact OE1-NH2 2.74Å; E575-R607 PolarHBondContact OE1-NH2 3.03Å; E575-R607 IonicContact OE2-CZ 3.62Å; E575-R607 IonicContact OE2-NE 3.52Å; E575-R607 PolarHBondContact OE2-NE 3.39Å; E575-R607 IonicContact OE2-NH2 2.79Å; E575-R607 PolarHBondContact OE2-NH2 3.27Å; L598-R607 HydrophobicContact CD2-CB 3.83Å; L598-R607 HydrophobicContact CD2-CG 3.91Å; L601-R607 HydrophobicContact CB-CG 3.95Å; L601-R607 PolarHBondContact O-NH1 3.49Å; G603-R607 PolarHBondContact O-N 2.62Å; K604-R607 PolarHBondContact O-N 3.15Å; R607-R609 VanDerWaalsContact C-N 3.33Å; R607-R609 PolarHBondContact O-N 3.09Å; R607-Y610 CarbonylContact O-C 3.56Å; R607-Y610 WeakPolarHBondContact O-CA 3.41Å; R607-Y610 WeakPolarHBondContact O-CB 3.45Å; R607-Y610 PolarHBondContact O-N 3.26Å; R607-Y610 VanDerWaalsContact O-N 3.09Å; R607-L611 WeakPolarHBondContact O-CG 3.5Å; R607-L611 PolarHBondContact O-N 3.48Å |
| 608 | L | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 178.3 | -178.6 | 61.8 | 0 | 0 | 0 | 112.5 | Y579 L586 K604 Y610 L611 S612 M885 L888 L889 | Y579-L608 HydrophobicContact CD1-CD1 4.26Å; Y579-L608 HydrophobicContact CD2-CD1 3.73Å; Y579-L608 HydrophobicContact CE1-CD1 4.47Å; Y579-L608 HydrophobicContact CE1-CD2 4.44Å; Y579-L608 HydrophobicContact CE2-CB 4.31Å; Y579-L608 HydrophobicContact CE2-CD1 4.01Å; Y579-L608 HydrophobicContact CG-CD1 3.89Å; L586-L608 HydrophobicContact CD1-CD1 4.41Å; L586-L608 HydrophobicContact CD2-CD1 4.45Å; K604-L608 WeakPolarHBondContact O-CB 3.32Å; K604-L608 PolarHBondContact O-N 2.93Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 2.93Å; L608-L611 PolarHBondContact O-N 3.41Å; L608-S612 VanDerWaalsContact O-CB 3.29Å; L608-S612 WeakPolarHBondContact O-CB 3.25Å; L608-S612 PolarHBondContact O-N 2.72Å; L608-S612 PolarHBondContact O-OG 2.82Å; L608-M885 HydrophobicContact CD2-CG 3.85Å; L608-L888 HydrophobicContact CD1-CD1 4.05Å; L608-L888 HydrophobicContact CD2-CB 3.75Å; L608-L888 HydrophobicContact CD2-CD1 4.3Å; L608-L889 HydrophobicContact CB-CD2 4.41Å; L608-L889 HydrophobicContact CD2-CD1 4.45Å; L608-L889 HydrophobicContact CD2-CD2 3.87Å; L608-L889 HydrophobicContact CD2-CG 3.71Å |
| 609 | R | 86.6 | Confident | 87.3 | Confident | 124 Ų | 124 | 47.1 Ų | 47.1 | 47% | 0.468 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 172.9 | -76.6 | 174.6 | -177.5 | -179.5 | 3.6 | 111.7 | T605 Q606 R607 Y613 M885 | T605-R609 WeakPolarHBondContact O-CB 3.24Å; T605-R609 VanDerWaalsContact O-CG 3.26Å; T605-R609 WeakPolarHBondContact O-CG 3.26Å; T605-R609 PolarHBondContact O-N 3.26Å; T605-R609 VanDerWaalsContact O-N 3.09Å; Q606-R609 PolarHBondContact O-N 2.96Å; R607-R609 VanDerWaalsContact C-N 3.33Å; R607-R609 PolarHBondContact O-N 3.09Å; R609-Y613 WeakPolarHBondContact O-CB 3.23Å; R609-Y613 PolarHBondContact O-N 3.29Å; R609-M885 HydrophobicContact CG-SD 3.64Å |
| 610 | Y | 89.5 | Confident | 87.2 | Confident | 14 Ų | 14 | 50 Ų | 50 | 6% | 0.055 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.9 | -46.5 | 176 | -178.1 | -115 | 0 | 0 | 0 | 111.9 | R597 L598 L601 Q606 R607 L608 S612 Y613 L614 I701 | R597-Y610 HydrophobicContact CB-CE1 3.82Å; R597-Y610 WeakPolarHBondContact CB-OH 3.21Å; R597-Y610 HydrophobicContact CG-CE1 4.15Å; R597-Y610 HydrophobicContact CG-CE2 4.12Å; L598-Y610 HydrophobicContact CD2-CD1 3.64Å; L598-Y610 HydrophobicContact CD2-CE1 4.37Å; L598-Y610 HydrophobicContact CG-CD1 3.85Å; L598-Y610 HydrophobicContact CG-CE1 4.08Å; L601-Y610 VanDerWaalsContact CD1-CB 3.49Å; L601-Y610 HydrophobicContact CD1-CD1 4.08Å; L601-Y610 HydrophobicContact CD1-CG 3.81Å; Q606-Y610 PolarHBondContact O-N 2.81Å; R607-Y610 CarbonylContact O-C 3.56Å; R607-Y610 WeakPolarHBondContact O-CA 3.41Å; R607-Y610 WeakPolarHBondContact O-CB 3.45Å; R607-Y610 PolarHBondContact O-N 3.26Å; R607-Y610 VanDerWaalsContact O-N 3.09Å; L608-Y610 VanDerWaalsContact C-N 3.31Å; L608-Y610 PolarHBondContact O-N 2.93Å; Y610-S612 VanDerWaalsContact C-N 3.33Å; Y610-S612 PolarHBondContact O-N 2.9Å; Y610-Y613 HydrophobicContact CD2-CD1 4.12Å; Y610-Y613 HydrophobicContact CE2-CD1 4.17Å; Y610-Y613 CarbonylContact O-C 3.58Å; Y610-Y613 WeakPolarHBondContact O-CA 3.33Å; Y610-Y613 VanDerWaalsContact O-CB 3.27Å; Y610-Y613 WeakPolarHBondContact O-CB 3.33Å; Y610-Y613 PolarHBondContact O-N 3.42Å; Y610-L614 HydrophobicContact CD1-CD1 4.05Å; Y610-L614 HydrophobicContact CD1-CG 4.37Å; Y610-L614 HydrophobicContact CE1-CD1 3.61Å; Y610-L614 HydrophobicContact CE1-CD2 4.36Å; Y610-L614 HydrophobicContact CE1-CG 4.07Å; Y610-L614 HydrophobicContact CE2-CD2 4.07Å; Y610-L614 HydrophobicContact CE2-CG 4.3Å; Y610-L614 WeakPolarHBondContact O-CG 3.36Å; Y610-L614 PolarHBondContact O-N 3Å; Y610-I701 HydrophobicContact CD2-CD1 4.35Å; Y610-I701 HydrophobicContact CD2-CG1 3.84Å |
| 611 | L | 90.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 173.5 | -68.2 | 170.2 | 0 | 0 | 0 | 111.3 | F576 Y579 L586 P587 L590 L598 R607 L608 Y613 L614 G615 | F576-L611 HydrophobicContact CB-CD1 4.21Å; F576-L611 HydrophobicContact CD2-CD1 4Å; F576-L611 HydrophobicContact CD2-CD2 3.72Å; F576-L611 HydrophobicContact CD2-CG 4.43Å; F576-L611 HydrophobicContact CE2-CD2 4.18Å; F576-L611 HydrophobicContact CG-CD2 4.31Å; Y579-L611 HydrophobicContact CD2-CD1 4.21Å; L586-L611 HydrophobicContact CD2-CB 3.97Å; P587-L611 VanDerWaalsContact CD-O 3.24Å; P587-L611 WeakPolarHBondContact CD-O 3.33Å; P587-L611 HydrophobicContact CG-CD2 4.25Å; L590-L611 HydrophobicContact CD2-CD2 3.96Å; L598-L611 HydrophobicContact CD1-CD2 4.01Å; L598-L611 HydrophobicContact CD2-CD2 4.28Å; L598-L611 HydrophobicContact CD2-CG 4.15Å; R607-L611 WeakPolarHBondContact O-CG 3.5Å; R607-L611 PolarHBondContact O-N 3.48Å; L608-L611 PolarHBondContact O-N 3.41Å; L611-Y613 PolarHBondContact O-N 3.3Å; L611-L614 WeakPolarHBondContact O-CB 3.45Å; L611-L614 PolarHBondContact O-N 2.91Å; L611-L614 VanDerWaalsContact O-N 3.1Å; L611-G615 PolarHBondContact O-N 3.23Å |
| 612 | S | 89.9 | Confident | 87.4 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -26.2 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 113 | L608 Y610 R616 R884 | L608-S612 VanDerWaalsContact O-CB 3.29Å; L608-S612 WeakPolarHBondContact O-CB 3.25Å; L608-S612 PolarHBondContact O-N 2.72Å; L608-S612 PolarHBondContact O-OG 2.82Å; Y610-S612 VanDerWaalsContact C-N 3.33Å; Y610-S612 PolarHBondContact O-N 2.9Å; S612-R616 WeakPolarHBondContact O-CG 3.36Å; S612-R616 PolarHBondContact O-N 3.38Å; S612-R616 PolarHBondContact O-NE 2.59Å; S612-R884 PolarHBondContact OG-NH1 2.83Å |
| 613 | Y | 89.1 | Confident | 87.8 | Confident | 35 Ų | 35 | 51.5 Ų | 51.5 | 14% | 0.137 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -44.7 | 170.8 | 165.7 | -108.4 | 0 | 0 | 0 | 111.3 | R609 Y610 L611 R616 K617 D704 | R609-Y613 WeakPolarHBondContact O-CB 3.23Å; R609-Y613 PolarHBondContact O-N 3.29Å; Y610-Y613 HydrophobicContact CD2-CD1 4.12Å; Y610-Y613 HydrophobicContact CE2-CD1 4.17Å; Y610-Y613 CarbonylContact O-C 3.58Å; Y610-Y613 WeakPolarHBondContact O-CA 3.33Å; Y610-Y613 VanDerWaalsContact O-CB 3.27Å; Y610-Y613 WeakPolarHBondContact O-CB 3.33Å; Y610-Y613 PolarHBondContact O-N 3.42Å; L611-Y613 PolarHBondContact O-N 3.3Å; Y613-R616 PolarHBondContact O-N 2.95Å; Y613-K617 PolarHBondContact O-N 3.38Å; Y613-K617 PolarHBondContact OH-NZ 3.1Å; Y613-D704 WeakPolarHBondContact CE1-OD2 3.43Å; Y613-D704 PolarHBondContact OH-OD2 3.39Å |
| 614 | L | 90.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 177.6 | -66.9 | -177 | 0 | 0 | 0 | 112.1 | P587 L590 Q594 Y610 L611 R616 K617 E618 | P587-L614 HydrophobicContact CB-CB 4.11Å; P587-L614 HydrophobicContact CG-CB 3.86Å; P587-L614 HydrophobicContact CG-CD1 4.39Å; L590-L614 HydrophobicContact CD2-CD1 4.13Å; Q594-L614 HydrophobicContact CB-CD1 3.99Å; Q594-L614 HydrophobicContact CG-CD1 3.8Å; Q594-L614 HydrophobicContact CG-CD2 4.1Å; Y610-L614 HydrophobicContact CD1-CD1 4.05Å; Y610-L614 HydrophobicContact CD1-CG 4.37Å; Y610-L614 HydrophobicContact CE1-CD1 3.61Å; Y610-L614 HydrophobicContact CE1-CD2 4.36Å; Y610-L614 HydrophobicContact CE1-CG 4.07Å; Y610-L614 HydrophobicContact CE2-CD2 4.07Å; Y610-L614 HydrophobicContact CE2-CG 4.3Å; Y610-L614 WeakPolarHBondContact O-CG 3.36Å; Y610-L614 PolarHBondContact O-N 3Å; L611-L614 WeakPolarHBondContact O-CB 3.45Å; L611-L614 PolarHBondContact O-N 2.91Å; L611-L614 VanDerWaalsContact O-N 3.1Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.46Å; L614-K617 WeakPolarHBondContact O-CA 3.48Å; L614-K617 VanDerWaalsContact O-CB 3.29Å; L614-K617 WeakPolarHBondContact O-CB 3.38Å; L614-K617 PolarHBondContact O-N 3.38Å; L614-E618 PolarHBondContact O-N 3.46Å |
| 615 | G | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -37.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N585 L611 K617 E618 H619 | N585-G615 CarbonylContact O-C 3.58Å; N585-G615 VanDerWaalsContact O-CA 3.32Å; N585-G615 WeakPolarHBondContact O-CA 3.31Å; L611-G615 PolarHBondContact O-N 3.23Å; G615-K617 VanDerWaalsContact C-N 3.3Å; G615-K617 PolarHBondContact O-N 3.02Å; G615-E618 WeakPolarHBondContact O-CB 3.36Å; G615-E618 PolarHBondContact O-N 3.38Å; G615-H619 PolarHBondContact O-CD2 2.87Å; G615-H619 PolarHBondContact O-N 3.38Å |
| 616 | R | 88.2 | Confident | 87.9 | Confident | 137 Ų | 137 | 61.5 Ų | 61.5 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 170.4 | -78.3 | -178.2 | -69.7 | 152.5 | -4.2 | 112.9 | S612 Y613 L614 L620 | S612-R616 WeakPolarHBondContact O-CG 3.36Å; S612-R616 PolarHBondContact O-N 3.38Å; S612-R616 PolarHBondContact O-NE 2.59Å; Y613-R616 PolarHBondContact O-N 2.95Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-R616 PolarHBondContact O-N 3.46Å; R616-L620 VanDerWaalsContact O-CB 3.25Å; R616-L620 WeakPolarHBondContact O-CB 3.5Å; R616-L620 PolarHBondContact O-N 3.44Å |
| 617 | K | 86.2 | Confident | 88.1 | Confident | 58 Ų | 58 | 60 Ų | 60 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.4 | -166.3 | 171.3 | -174.5 | 160.7 | 0 | 110.1 | Y613 L614 G615 L620 T621 D704 Y744 | Y613-K617 PolarHBondContact O-N 3.38Å; Y613-K617 PolarHBondContact OH-NZ 3.1Å; L614-K617 WeakPolarHBondContact O-CA 3.48Å; L614-K617 VanDerWaalsContact O-CB 3.29Å; L614-K617 WeakPolarHBondContact O-CB 3.38Å; L614-K617 PolarHBondContact O-N 3.38Å; G615-K617 VanDerWaalsContact C-N 3.3Å; G615-K617 PolarHBondContact O-N 3.02Å; K617-L620 PolarHBondContact O-N 3.14Å; K617-T621 WeakPolarHBondContact O-CG2 3.29Å; K617-T621 PolarHBondContact O-N 2.87Å; K617-T621 PolarHBondContact O-OG1 3.04Å; K617-D704 IonicContact NZ-OD1 3.18Å; K617-D704 IonicContact NZ-OD2 3.52Å; K617-D704 PolarHBondContact NZ-OD2 3.46Å; K617-Y744 PolarHBondContact NZ-OH 3.33Å |
| 618 | E | 89.3 | Confident | 87.9 | Confident | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -53.3 | 176.2 | -171.2 | 174.5 | 150.7 | 0 | 0 | 112.2 | P587 S588 L614 G615 L620 T621 E622 | P587-E618 WeakPolarHBondContact CA-OE2 3.37Å; P587-E618 VanDerWaalsContact CB-OE2 3.29Å; P587-E618 WeakPolarHBondContact CB-OE2 3.42Å; S588-E618 WeakPolarHBondContact CB-OE1 3.3Å; S588-E618 PolarHBondContact N-OE1 3.49Å; S588-E618 PolarHBondContact N-OE2 2.78Å; S588-E618 PolarHBondContact OG-OE1 3.03Å; L614-E618 PolarHBondContact O-N 3.46Å; G615-E618 WeakPolarHBondContact O-CB 3.36Å; G615-E618 PolarHBondContact O-N 3.38Å; E618-L620 VanDerWaalsContact C-N 3.27Å; E618-L620 PolarHBondContact O-N 3.14Å; E618-T621 VanDerWaalsContact CA-OG1 3.31Å; E618-T621 WeakPolarHBondContact CA-OG1 3.23Å; E618-T621 WeakPolarHBondContact O-CA 3.36Å; E618-T621 PolarHBondContact O-N 3.31Å; E618-T621 PolarHBondContact O-OG1 3.38Å; E618-E622 WeakPolarHBondContact O-CG 3.46Å; E618-E622 PolarHBondContact O-N 3Å |
| 619 | H | 86.7 | Confident | 87.9 | Confident | 68 Ų | 68 | 72 Ų | 72 | 32% | 0.315 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -34.1 | 176.8 | -68.7 | -48.2 | 0 | 0 | 0 | 113.3 | G615 T621 E622 S623 | G615-H619 PolarHBondContact O-CD2 2.87Å; G615-H619 PolarHBondContact O-N 3.38Å; H619-T621 VanDerWaalsContact C-N 3.34Å; H619-E622 IonicContact CE1-OE2 2.99Å; H619-E622 IonicContact CG-OE2 3.27Å; H619-E622 IonicContact ND1-OE2 2.65Å; H619-E622 PolarHBondContact ND1-OE2 2.97Å; H619-E622 PolarHBondContact O-N 3.4Å; H619-S623 VanDerWaalsContact O-CB 3.22Å; H619-S623 WeakPolarHBondContact O-CB 3.25Å; H619-S623 PolarHBondContact O-N 3.44Å |
| 620 | L | 87 | Confident | 88.1 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 173.6 | -177.6 | 63.5 | 0 | 0 | 0 | 111.2 | R616 K617 E618 K624 | R616-L620 VanDerWaalsContact O-CB 3.25Å; R616-L620 WeakPolarHBondContact O-CB 3.5Å; R616-L620 PolarHBondContact O-N 3.44Å; K617-L620 PolarHBondContact O-N 3.14Å; E618-L620 VanDerWaalsContact C-N 3.27Å; E618-L620 PolarHBondContact O-N 3.14Å; L620-K624 HydrophobicContact CG-CD 4.42Å; L620-K624 WeakPolarHBondContact O-CB 3.28Å; L620-K624 VanDerWaalsContact O-CG 3.24Å; L620-K624 WeakPolarHBondContact O-CG 3.39Å; L620-K624 PolarHBondContact O-N 3.26Å |
| 621 | T | 86.9 | Confident | 88 | Confident | 76 Ų | 76 | 78.7 Ų | 78.7 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 174.9 | 44.6 | 0 | 0 | 0 | 0 | 112.1 | K617 E618 H619 S623 K624 E625 | K617-T621 WeakPolarHBondContact O-CG2 3.29Å; K617-T621 PolarHBondContact O-N 2.87Å; K617-T621 PolarHBondContact O-OG1 3.04Å; E618-T621 VanDerWaalsContact CA-OG1 3.31Å; E618-T621 WeakPolarHBondContact CA-OG1 3.23Å; E618-T621 WeakPolarHBondContact O-CA 3.36Å; E618-T621 PolarHBondContact O-N 3.31Å; E618-T621 PolarHBondContact O-OG1 3.38Å; H619-T621 VanDerWaalsContact C-N 3.34Å; T621-S623 PolarHBondContact O-N 2.95Å; T621-K624 WeakPolarHBondContact O-CB 3.44Å; T621-K624 PolarHBondContact O-N 2.98Å; T621-E625 PolarHBondContact O-N 3.02Å |
| 622 | E | 85.9 | Confident | 87.9 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.6 | -68.4 | 171.8 | 159.5 | 0 | 0 | 111.5 | E618 H619 K624 E625 K626 | E618-E622 WeakPolarHBondContact O-CG 3.46Å; E618-E622 PolarHBondContact O-N 3Å; H619-E622 IonicContact CE1-OE2 2.99Å; H619-E622 IonicContact CG-OE2 3.27Å; H619-E622 IonicContact ND1-OE2 2.65Å; H619-E622 PolarHBondContact ND1-OE2 2.97Å; H619-E622 PolarHBondContact O-N 3.4Å; E622-K624 VanDerWaalsContact C-N 3.32Å; E622-K624 PolarHBondContact O-N 3.48Å; E622-E625 PolarHBondContact O-N 3.34Å; E622-K626 WeakPolarHBondContact O-CB 3.38Å; E622-K626 PolarHBondContact O-N 2.93Å |
| 623 | S | 86.8 | Confident | 87.9 | Confident | 66 Ų | 66 | 86.9 Ų | 86.9 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | H619 T621 T627 | H619-S623 VanDerWaalsContact O-CB 3.22Å; H619-S623 WeakPolarHBondContact O-CB 3.25Å; H619-S623 PolarHBondContact O-N 3.44Å; T621-S623 PolarHBondContact O-N 2.95Å; S623-T627 WeakPolarHBondContact O-CB 3.27Å; S623-T627 PolarHBondContact O-N 2.86Å; S623-T627 PolarHBondContact O-OG1 3.26Å |
| 624 | K | 86 | Confident | 87.9 | Confident | 132 Ų | 132 | 92.6 Ų | 92.6 | 57% | 0.574 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 174.8 | -79.7 | 175.9 | 178.7 | -176.8 | 0 | 112 | L620 T621 E622 T627 R628 | L620-K624 HydrophobicContact CG-CD 4.42Å; L620-K624 WeakPolarHBondContact O-CB 3.28Å; L620-K624 VanDerWaalsContact O-CG 3.24Å; L620-K624 WeakPolarHBondContact O-CG 3.39Å; L620-K624 PolarHBondContact O-N 3.26Å; T621-K624 WeakPolarHBondContact O-CB 3.44Å; T621-K624 PolarHBondContact O-N 2.98Å; E622-K624 VanDerWaalsContact C-N 3.32Å; E622-K624 PolarHBondContact O-N 3.48Å; K624-T627 PolarHBondContact O-N 3.05Å; K624-R628 VanDerWaalsContact O-CB 3.31Å; K624-R628 WeakPolarHBondContact O-CB 3.43Å; K624-R628 PolarHBondContact O-N 2.96Å |
| 625 | E | 86.4 | Confident | 87.8 | Confident | 89 Ų | 89 | 93.3 Ų | 93.3 | 42% | 0.416 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 176.4 | -86.1 | -60.1 | 143.6 | 0 | 0 | 111.6 | T621 E622 T627 R628 L629 | T621-E625 PolarHBondContact O-N 3.02Å; E622-E625 PolarHBondContact O-N 3.34Å; E625-T627 VanDerWaalsContact C-N 3.34Å; E625-T627 PolarHBondContact O-N 3.39Å; E625-R628 WeakPolarHBondContact O-CB 3.5Å; E625-R628 PolarHBondContact O-N 2.87Å; E625-R628 VanDerWaalsContact O-N 3.09Å; E625-R628 IonicContact OE1-CZ 3.32Å; E625-R628 IonicContact OE1-NH1 3.09Å; E625-R628 PolarHBondContact OE1-NH1 3.39Å; E625-R628 IonicContact OE2-NH1 2.66Å; E625-L629 WeakPolarHBondContact O-CG 3.46Å; E625-L629 PolarHBondContact O-N 2.68Å |
| 626 | K | 86.4 | Confident | 87.7 | Confident | 133 Ų | 133 | 98.8 Ų | 98.8 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 172.4 | -173.5 | 177.5 | 179.1 | 177.6 | 0 | 111.7 | E622 R628 L629 E630 | E622-K626 WeakPolarHBondContact O-CB 3.38Å; E622-K626 PolarHBondContact O-N 2.93Å; K626-R628 VanDerWaalsContact C-N 3.29Å; K626-R628 PolarHBondContact O-N 3.1Å; K626-L629 PolarHBondContact O-N 3.04Å; K626-E630 WeakPolarHBondContact CE-OE1 3.47Å; K626-E630 WeakPolarHBondContact O-CG 3.33Å; K626-E630 PolarHBondContact O-N 2.78Å |
| 627 | T | 88.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 32% | 0.319 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.8 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | S623 K624 E625 R631 | S623-T627 WeakPolarHBondContact O-CB 3.27Å; S623-T627 PolarHBondContact O-N 2.86Å; S623-T627 PolarHBondContact O-OG1 3.26Å; K624-T627 PolarHBondContact O-N 3.05Å; E625-T627 VanDerWaalsContact C-N 3.34Å; E625-T627 PolarHBondContact O-N 3.39Å; T627-R631 WeakPolarHBondContact O-CB 3.32Å; T627-R631 VanDerWaalsContact O-CG 3.25Å; T627-R631 WeakPolarHBondContact O-CG 3.32Å; T627-R631 PolarHBondContact O-N 3.42Å |
| 628 | R | 87.4 | Confident | 87.8 | Confident | 163 Ų | 163 | 100 Ų | 100 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -45.2 | 176.7 | -179.1 | -172.8 | 174.8 | -172.4 | -2.4 | 111.3 | K624 E625 K626 R631 A632 | K624-R628 VanDerWaalsContact O-CB 3.31Å; K624-R628 WeakPolarHBondContact O-CB 3.43Å; K624-R628 PolarHBondContact O-N 2.96Å; E625-R628 WeakPolarHBondContact O-CB 3.5Å; E625-R628 PolarHBondContact O-N 2.87Å; E625-R628 VanDerWaalsContact O-N 3.09Å; E625-R628 IonicContact OE1-CZ 3.32Å; E625-R628 IonicContact OE1-NH1 3.09Å; E625-R628 PolarHBondContact OE1-NH1 3.39Å; E625-R628 IonicContact OE2-NH1 2.66Å; K626-R628 VanDerWaalsContact C-N 3.29Å; K626-R628 PolarHBondContact O-N 3.1Å; R628-R631 PolarHBondContact O-N 2.96Å; R628-A632 WeakPolarHBondContact O-CB 3.29Å; R628-A632 PolarHBondContact O-N 3.2Å |
| 629 | L | 89 | Confident | 87.5 | Confident | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -43.2 | 176.3 | -70.5 | 170.2 | 0 | 0 | 0 | 111.7 | E625 K626 R631 A632 K633 | E625-L629 WeakPolarHBondContact O-CG 3.46Å; E625-L629 PolarHBondContact O-N 2.68Å; K626-L629 PolarHBondContact O-N 3.04Å; L629-R631 VanDerWaalsContact C-N 3.35Å; L629-R631 PolarHBondContact O-N 3.25Å; L629-A632 PolarHBondContact O-N 2.69Å; L629-K633 PolarHBondContact O-N 3.21Å |
| 630 | E | 89.7 | Confident | 87.6 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 174.1 | -73.2 | 174.9 | -169.2 | 0 | 0 | 111.9 | K626 K634 | K626-E630 WeakPolarHBondContact CE-OE1 3.47Å; K626-E630 WeakPolarHBondContact O-CG 3.33Å; K626-E630 PolarHBondContact O-N 2.78Å; E630-K634 WeakPolarHBondContact O-CG 3.4Å; E630-K634 PolarHBondContact O-N 3.25Å |
| 631 | R | 87.5 | Confident | 87.5 | Confident | 184 Ų | 184 | 105.7 Ų | 105.7 | 69% | 0.694 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | 174 | -76.9 | 176.5 | -175.7 | -175.1 | 1.9 | 112.4 | T627 R628 L629 K634 G635 | T627-R631 WeakPolarHBondContact O-CB 3.32Å; T627-R631 VanDerWaalsContact O-CG 3.25Å; T627-R631 WeakPolarHBondContact O-CG 3.32Å; T627-R631 PolarHBondContact O-N 3.42Å; R628-R631 PolarHBondContact O-N 2.96Å; L629-R631 VanDerWaalsContact C-N 3.35Å; L629-R631 PolarHBondContact O-N 3.25Å; R631-K634 PolarHBondContact O-N 3.21Å; R631-G635 PolarHBondContact O-N 2.96Å |
| 632 | A | 88.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 103.8 Ų | 103.8 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R628 L629 G635 E636 | R628-A632 WeakPolarHBondContact O-CB 3.29Å; R628-A632 PolarHBondContact O-N 3.2Å; L629-A632 PolarHBondContact O-N 2.69Å; A632-G635 CarbonylContact O-C 3.42Å; A632-G635 WeakPolarHBondContact O-CA 3.44Å; A632-G635 PolarHBondContact O-N 3.43Å; A632-G635 VanDerWaalsContact O-N 3.1Å; A632-E636 PolarHBondContact O-N 3.46Å |
| 633 | K | 90.4 | Very high | 87 | Confident | 143 Ų | 143 | 103.8 Ų | 103.8 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -48.1 | 174.5 | -71.9 | -177.9 | 179.5 | -176.9 | 0 | 112 | L629 G635 E636 V637 | L629-K633 PolarHBondContact O-N 3.21Å; K633-G635 VanDerWaalsContact C-N 3.27Å; K633-G635 PolarHBondContact O-N 2.85Å; K633-E636 PolarHBondContact O-N 2.82Å; K633-V637 WeakPolarHBondContact O-CG2 3.42Å; K633-V637 PolarHBondContact O-N 3.49Å; K633-V637 VanDerWaalsContact O-N 3.09Å |
| 634 | K | 88.8 | Confident | 86.9 | Confident | 155 Ų | 155 | 103.6 Ų | 103.6 | 67% | 0.674 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -37.4 | 174.4 | -73.6 | -179.4 | 179.8 | -179.6 | 0 | 112.1 | E630 R631 R638 | E630-K634 WeakPolarHBondContact O-CG 3.4Å; E630-K634 PolarHBondContact O-N 3.25Å; R631-K634 PolarHBondContact O-N 3.21Å; K634-R638 WeakPolarHBondContact O-CB 3.48Å; K634-R638 PolarHBondContact O-N 3.14Å |
| 635 | G | 87.8 | Confident | 86.6 | Confident | 27 Ų | 27 | 102.5 Ų | 102.5 | 28% | 0.278 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -29.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R631 A632 K633 R639 | R631-G635 PolarHBondContact O-N 2.96Å; A632-G635 CarbonylContact O-C 3.42Å; A632-G635 WeakPolarHBondContact O-CA 3.44Å; A632-G635 PolarHBondContact O-N 3.43Å; A632-G635 VanDerWaalsContact O-N 3.1Å; K633-G635 VanDerWaalsContact C-N 3.27Å; K633-G635 PolarHBondContact O-N 2.85Å; G635-R639 WeakPolarHBondContact O-CB 3.41Å; G635-R639 VanDerWaalsContact O-CG 3.23Å; G635-R639 WeakPolarHBondContact O-CG 3.42Å; G635-R639 PolarHBondContact O-N 2.84Å; G635-R639 PolarHBondContact O-NE 2.83Å; G635-R639 VanDerWaalsContact O-NE 3.13Å |
| 636 | E | 88.4 | Confident | 86 | Confident | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.6 | -48.1 | 171.5 | -74.4 | 171.4 | -178.6 | 0 | 0 | 111.5 | A632 K633 R638 R639 A640 | A632-E636 PolarHBondContact O-N 3.46Å; K633-E636 PolarHBondContact O-N 2.82Å; E636-R638 VanDerWaalsContact C-N 3.32Å; E636-R638 PolarHBondContact O-N 3.46Å; E636-R639 PolarHBondContact O-N 2.89Å; E636-R639 VanDerWaalsContact O-N 3.12Å; E636-A640 PolarHBondContact O-N 3.47Å |
| 637 | V | 90.5 | Very high | 85.6 | Confident | 86 Ų | 86 | 103.2 Ų | 103.2 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 174.5 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | K633 R639 A640 E641 | K633-V637 WeakPolarHBondContact O-CG2 3.42Å; K633-V637 PolarHBondContact O-N 3.49Å; K633-V637 VanDerWaalsContact O-N 3.09Å; V637-R639 VanDerWaalsContact C-N 3.32Å; V637-R639 PolarHBondContact O-N 3.31Å; V637-A640 PolarHBondContact O-N 3.14Å; V637-A640 VanDerWaalsContact O-N 3.16Å; V637-E641 WeakPolarHBondContact O-CG 3.47Å; V637-E641 PolarHBondContact O-N 3.08Å |
| 638 | R | 85.7 | Confident | 85.2 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 177.8 | -174.6 | 57.3 | 179.6 | 164.2 | 5.4 | 112.9 | K634 E636 E641 V642 | K634-R638 WeakPolarHBondContact O-CB 3.48Å; K634-R638 PolarHBondContact O-N 3.14Å; E636-R638 VanDerWaalsContact C-N 3.32Å; E636-R638 PolarHBondContact O-N 3.46Å; R638-E641 VanDerWaalsContact CD-OE2 3.3Å; R638-E641 WeakPolarHBondContact CD-OE2 3.45Å; R638-E641 IonicContact CZ-OE2 2.95Å; R638-E641 IonicContact NH1-OE2 3.55Å; R638-E641 PolarHBondContact NH1-OE2 3.04Å; R638-V642 HydrophobicContact CG-CG2 4.46Å; R638-V642 WeakPolarHBondContact O-CB 3.44Å; R638-V642 WeakPolarHBondContact O-CG2 3.19Å; R638-V642 PolarHBondContact O-N 2.89Å |
| 639 | R | 83.2 | Confident | 84.5 | Confident | 163 Ų | 163 | 100.9 Ų | 100.9 | 62% | 0.615 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.1 | -40.6 | 175.1 | -84 | -179 | -75.2 | 175 | -0.2 | 111.6 | G635 E636 V637 L643 | G635-R639 WeakPolarHBondContact O-CB 3.41Å; G635-R639 VanDerWaalsContact O-CG 3.23Å; G635-R639 WeakPolarHBondContact O-CG 3.42Å; G635-R639 PolarHBondContact O-N 2.84Å; G635-R639 PolarHBondContact O-NE 2.83Å; G635-R639 VanDerWaalsContact O-NE 3.13Å; E636-R639 PolarHBondContact O-N 2.89Å; E636-R639 VanDerWaalsContact O-N 3.12Å; V637-R639 VanDerWaalsContact C-N 3.32Å; V637-R639 PolarHBondContact O-N 3.31Å; R639-L643 WeakPolarHBondContact O-CB 3.43Å; R639-L643 PolarHBondContact O-N 3.18Å |
| 640 | A | 88 | Confident | 83.9 | Confident | 60 Ų | 60 | 102.9 Ų | 102.9 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E636 V637 L643 A644 | E636-A640 PolarHBondContact O-N 3.47Å; V637-A640 PolarHBondContact O-N 3.14Å; V637-A640 VanDerWaalsContact O-N 3.16Å; A640-L643 PolarHBondContact O-N 3.19Å; A640-A644 WeakPolarHBondContact O-CB 3.42Å; A640-A644 PolarHBondContact O-N 2.93Å |
| 641 | E | 85.9 | Confident | 83.3 | Confident | 96 Ų | 96 | 105.3 Ų | 105.3 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.6 | -51 | 173.5 | -72.7 | 172.3 | -176.5 | 0 | 0 | 111.9 | V637 R638 L643 A644 E645 | V637-E641 WeakPolarHBondContact O-CG 3.47Å; V637-E641 PolarHBondContact O-N 3.08Å; R638-E641 VanDerWaalsContact CD-OE2 3.3Å; R638-E641 WeakPolarHBondContact CD-OE2 3.45Å; R638-E641 IonicContact CZ-OE2 2.95Å; R638-E641 IonicContact NH1-OE2 3.55Å; R638-E641 PolarHBondContact NH1-OE2 3.04Å; E641-L643 VanDerWaalsContact C-N 3.27Å; E641-L643 PolarHBondContact O-N 3.06Å; E641-A644 PolarHBondContact O-N 3.21Å; E641-E645 WeakPolarHBondContact O-CB 3.28Å; E641-E645 PolarHBondContact O-N 3.16Å |
| 642 | V | 80.5 | Confident | 82.6 | Confident | 35 Ų | 35 | 102.1 Ų | 102.1 | 21% | 0.212 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | -180 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | R638 R646 | R638-V642 HydrophobicContact CG-CG2 4.46Å; R638-V642 WeakPolarHBondContact O-CB 3.44Å; R638-V642 WeakPolarHBondContact O-CG2 3.19Å; R638-V642 PolarHBondContact O-N 2.89Å; V642-R646 VanDerWaalsContact CG1-NE 3.31Å; V642-R646 WeakPolarHBondContact O-CB 2.98Å; V642-R646 VanDerWaalsContact O-CD 3.29Å; V642-R646 WeakPolarHBondContact O-CD 3.43Å; V642-R646 WeakPolarHBondContact O-CG 3.44Å; V642-R646 PolarHBondContact O-N 3.07Å; V642-R646 VanDerWaalsContact O-N 3.07Å |
| 643 | L | 82.2 | Confident | 81.6 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 175.5 | -175.4 | 64.6 | 0 | 0 | 0 | 111.7 | R639 A640 E641 R646 M647 | R639-L643 WeakPolarHBondContact O-CB 3.43Å; R639-L643 PolarHBondContact O-N 3.18Å; A640-L643 PolarHBondContact O-N 3.19Å; E641-L643 VanDerWaalsContact C-N 3.27Å; E641-L643 PolarHBondContact O-N 3.06Å; L643-R646 WeakPolarHBondContact O-CB 3.32Å; L643-R646 PolarHBondContact O-N 3.42Å; L643-M647 HydrophobicContact CG-SD 4.41Å; L643-M647 WeakPolarHBondContact O-CG 3.48Å; L643-M647 PolarHBondContact O-N 2.94Å |
| 644 | A | 84.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 104.1 Ų | 104.1 | 50% | 0.504 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A640 E641 R646 M647 S648 | A640-A644 WeakPolarHBondContact O-CB 3.42Å; A640-A644 PolarHBondContact O-N 2.93Å; E641-A644 PolarHBondContact O-N 3.21Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 3.26Å; A644-M647 PolarHBondContact O-N 3.32Å; A644-S648 PolarHBondContact O-N 3.16Å |
| 645 | E | 78.4 | Confident | 79.7 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 174.2 | -173.3 | -176.4 | 175.6 | 0 | 0 | 110.8 | E641 S648 N649 | E641-E645 WeakPolarHBondContact O-CB 3.28Å; E641-E645 PolarHBondContact O-N 3.16Å; E645-S648 PolarHBondContact O-N 3.03Å; E645-S648 PolarHBondContact O-OG 2.92Å; E645-N649 PolarHBondContact O-N 3.26Å |
| 646 | R | 75.3 | Confident | 78.4 | Confident | 80 Ų | 80 | 102 Ų | 102 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.9 | -78 | 166 | -174.5 | -156.1 | 1.1 | 113 | V642 L643 A644 S648 N649 L653 L656 | V642-R646 VanDerWaalsContact CG1-NE 3.31Å; V642-R646 WeakPolarHBondContact O-CB 2.98Å; V642-R646 VanDerWaalsContact O-CD 3.29Å; V642-R646 WeakPolarHBondContact O-CD 3.43Å; V642-R646 WeakPolarHBondContact O-CG 3.44Å; V642-R646 PolarHBondContact O-N 3.07Å; V642-R646 VanDerWaalsContact O-N 3.07Å; L643-R646 WeakPolarHBondContact O-CB 3.32Å; L643-R646 PolarHBondContact O-N 3.42Å; A644-R646 VanDerWaalsContact C-N 3.33Å; A644-R646 PolarHBondContact O-N 3.26Å; R646-S648 VanDerWaalsContact C-N 3.3Å; R646-S648 PolarHBondContact O-N 2.89Å; R646-N649 PolarHBondContact O-N 2.92Å; R646-L653 HydrophobicContact CB-CD2 4.44Å; R646-L653 HydrophobicContact CG-CD2 3.42Å; R646-L653 VanDerWaalsContact CG-CD2 3.42Å; R646-L656 PolarHBondContact NH1-O 3.37Å; R646-L656 PolarHBondContact NH2-O 3.44Å |
| 647 | M | 76.8 | Confident | 77.3 | Confident | 157 Ų | 157 | 100.2 Ų | 100.2 | 77% | 0.773 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.3 | -28.5 | 180 | -72 | -174.8 | 67.9 | 0 | 0 | 112.5 | L643 A644 | L643-M647 HydrophobicContact CG-SD 4.41Å; L643-M647 WeakPolarHBondContact O-CG 3.48Å; L643-M647 PolarHBondContact O-N 2.94Å; A644-M647 PolarHBondContact O-N 3.32Å |
| 648 | S | 81 | Confident | 76.2 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 64% | 0.643 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -77.1 | -23.9 | 176 | 82.3 | 0 | 0 | 0 | 0 | 113.6 | A644 E645 R646 T650 | A644-S648 PolarHBondContact O-N 3.16Å; E645-S648 PolarHBondContact O-N 3.03Å; E645-S648 PolarHBondContact O-OG 2.92Å; R646-S648 VanDerWaalsContact C-N 3.3Å; R646-S648 PolarHBondContact O-N 2.89Å; S648-T650 PolarHBondContact O-N 3.36Å |
| 649 | N | 72.8 | Confident | 75.5 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 40% | 0.396 | 52% | 0.522 | S | S | . | . | trans | -85.5 | 110.3 | -171.4 | -151.8 | -22.6 | 0 | 0 | 0 | 110.5 | E645 R646 H651 | E645-N649 PolarHBondContact O-N 3.26Å; R646-N649 PolarHBondContact O-N 2.92Å; N649-H651 VanDerWaalsContact C-N 3.26Å; N649-H651 PolarHBondContact O-N 3.08Å | ||
| 650 | T | 75 | Confident | 74.9 | Confident | 150 Ų | 150 | 90.1 Ų | 90.1 | 92% | 0.92 | 51% | 0.51 | S | S | * | . | trans | -80.6 | -2.2 | -176.5 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | S648 | S648-T650 PolarHBondContact O-N 3.36Š| ||
| 651 | H | 77.8 | Confident | 74.3 | Confident | 144 Ų | 144 | 94.9 Ų | 94.9 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -108.7 | 161 | -179.3 | -162.4 | -83.9 | 0 | 0 | 0 | 112.2 | N649 L653 | N649-H651 VanDerWaalsContact C-N 3.26Å; N649-H651 PolarHBondContact O-N 3.08Å; H651-L653 PolarHBondContact O-N 3.29Å |
| 652 | L | 72.6 | Confident | 73.4 | Confident | 117 Ų | 117 | 94.2 Ų | 94.2 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | trans | -51.8 | 110.7 | 174 | -78.3 | 151.5 | 0 | 0 | 0 | 111.2 | N659 | L652-N659 WeakPolarHBondContact CD2-ND2 3.31Š| ||
| 653 | L | 68.5 | Low | 72.8 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 25% | 0.251 | 56% | 0.563 | S | S | . | * | trans | -93.4 | 119.7 | 176.7 | -170.1 | 80.5 | 0 | 0 | 0 | 110.9 | R646 H651 A655 A658 N659 | R646-L653 HydrophobicContact CB-CD2 4.44Å; R646-L653 HydrophobicContact CG-CD2 3.42Å; R646-L653 VanDerWaalsContact CG-CD2 3.42Å; H651-L653 PolarHBondContact O-N 3.29Å; L653-A655 HydrophobicContact CD2-CB 4.23Å; L653-A655 HydrophobicContact CG-CB 4.4Å; L653-A655 PolarHBondContact O-N 3.1Å; L653-A658 WeakPolarHBondContact O-CB 3.49Å; L653-N659 WeakPolarHBondContact O-CB 3.25Å; L653-N659 PolarHBondContact O-N 3.16Å; L653-N659 VanDerWaalsContact O-N 3.15Å; L653-N659 PolarHBondContact O-ND2 3.33Å | ||
| 654 | Y | 71.8 | Confident | 72.4 | Confident | 182 Ų | 182 | 107.5 Ų | 107.5 | 71% | 0.714 | 57% | 0.571 | S | S | * | * | B | Isolated β-bridge | trans | -86.2 | 97.8 | 173.5 | -89.5 | -90.1 | 0 | 0 | 0 | 111.6 | N659 | Y654-N659 WeakPolarHBondContact CA-O 3.14Å; Y654-N659 WeakPolarHBondContact CD1-O 3.38Å |
| 655 | A | 65.9 | Low | 72 | Confident | 29 Ų | 29 | 110.1 Ų | 110.1 | 24% | 0.24 | 58% | 0.575 | C | S | . | * | S | Bend | trans | -158.1 | 159.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L653 G657 A658 N659 | L653-A655 HydrophobicContact CD2-CB 4.23Å; L653-A655 HydrophobicContact CG-CB 4.4Å; L653-A655 PolarHBondContact O-N 3.1Å; A655-G657 PolarHBondContact O-N 3.37Å; A655-A658 HydrophobicContact CB-CB 4.48Å; A655-A658 CarbonylContact O-C 3.58Å; A655-A658 PolarHBondContact O-N 3.08Å; A655-N659 PolarHBondContact N-O 3.15Å |
| 656 | L | 60.3 | Low | 72.3 | Confident | 109 Ų | 109 | 108.6 Ų | 108.6 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 117.5 | 170.7 | -91.5 | 150.3 | 0 | 0 | 0 | 110.9 | R646 R664 | R646-L656 PolarHBondContact NH1-O 3.37Å; R646-L656 PolarHBondContact NH2-O 3.44Å; L656-R664 HydrophobicContact CD2-CB 3.59Å; L656-R664 HydrophobicContact CD2-CG 3.83Å |
| 657 | G | 65.7 | Low | 72.8 | Confident | 77 Ų | 77 | 110.8 Ų | 110.8 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.8 | 6.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A655 | A655-G657 PolarHBondContact O-N 3.37Š|
| 658 | A | 68.6 | Low | 73.4 | Confident | 46 Ų | 46 | 106.3 Ų | 106.3 | 38% | 0.38 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -125.2 | -137.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L653 A655 C660 | L653-A658 WeakPolarHBondContact O-CB 3.49Å; A655-A658 HydrophobicContact CB-CB 4.48Å; A655-A658 CarbonylContact O-C 3.58Å; A655-A658 PolarHBondContact O-N 3.08Å; A658-C660 PolarHBondContact O-N 3.22Å |
| 659 | N | 70.4 | Confident | 73.8 | Confident | 71 Ų | 71 | 104.3 Ų | 104.3 | 38% | 0.38 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -77.1 | 106.2 | 175.6 | -57.1 | -61.8 | 0 | 0 | 0 | 109.4 | L652 L653 Y654 A655 | L652-N659 WeakPolarHBondContact CD2-ND2 3.31Å; L653-N659 WeakPolarHBondContact O-CB 3.25Å; L653-N659 PolarHBondContact O-N 3.16Å; L653-N659 VanDerWaalsContact O-N 3.15Å; L653-N659 PolarHBondContact O-ND2 3.33Å; Y654-N659 WeakPolarHBondContact CA-O 3.14Å; Y654-N659 WeakPolarHBondContact CD1-O 3.38Å; A655-N659 PolarHBondContact N-O 3.15Å |
| 660 | C | 69.7 | Low | 74.7 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 38% | 0.378 | 55% | 0.553 | S | S | . | * | trans | -140 | 122.1 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | A658 S662 | A658-C660 PolarHBondContact O-N 3.22Å; C660-S662 VanDerWaalsContact C-N 3.26Å; C660-S662 PolarHBondContact O-N 3.34Å; C660-S662 PolarHBondContact SG-O 3.32Å | ||
| 661 | I | 76.2 | Confident | 75.5 | Confident | 159 Ų | 159 | 99.5 Ų | 99.5 | 82% | 0.815 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -67.9 | -31.8 | 176.1 | -161.9 | 165.9 | 0 | 0 | 0 | 111.2 | R663 | I661-R663 PolarHBondContact O-N 2.88Š|
| 662 | S | 67.9 | Low | 76.1 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -83.9 | 112.9 | 177.7 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | C660 R664 | C660-S662 VanDerWaalsContact C-N 3.26Å; C660-S662 PolarHBondContact O-N 3.34Å; C660-S662 PolarHBondContact SG-O 3.32Å; S662-R664 PolarHBondContact O-N 3.15Å |
| 663 | R | 66.1 | Low | 77.1 | Confident | 233 Ų | 233 | 97.8 Ų | 97.8 | 88% | 0.879 | 51% | 0.513 | S | S | * | . | trans | -57.2 | 141.8 | 169.7 | -70.6 | -174.2 | -179.2 | -167.2 | 0.9 | 109.3 | I661 I665 | I661-R663 PolarHBondContact O-N 2.88Å; R663-I665 PolarHBondContact O-N 2.87Å; R663-I665 VanDerWaalsContact O-N 3.07Å | ||
| 664 | R | 74.6 | Confident | 78.3 | Confident | 182 Ų | 182 | 96.3 Ų | 96.3 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | trans | -57.2 | 118.7 | 171.4 | -178.1 | 178.3 | 176.9 | 178.2 | -2 | 108.3 | L656 S662 I666 | L656-R664 HydrophobicContact CD2-CB 3.59Å; L656-R664 HydrophobicContact CD2-CG 3.83Å; S662-R664 PolarHBondContact O-N 3.15Å; R664-I666 HydrophobicContact CG-CG2 4Å; R664-I666 PolarHBondContact O-N 3.06Å | ||
| 665 | I | 77.6 | Confident | 79.4 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 59% | 0.59 | 49% | 0.488 | S | S | * | . | trans | -74.1 | 108.6 | 167.3 | -61.7 | -177 | 0 | 0 | 0 | 106.8 | R663 M670 | R663-I665 PolarHBondContact O-N 2.87Å; R663-I665 VanDerWaalsContact O-N 3.07Å; I665-M670 HydrophobicContact CB-CE 4.43Å; I665-M670 HydrophobicContact CG2-CE 2.98Å; I665-M670 HydrophobicContact CG2-CG 3.65Å; I665-M670 HydrophobicContact CG2-SD 3.36Å; I665-M670 WeakPolarHBondContact CG2-SD 3.39Å | ||
| 666 | I | 83.9 | Confident | 80.7 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 40% | 0.395 | 50% | 0.501 | S | S | . | . | trans | -89.7 | 159.3 | 179.4 | 55.2 | 174.7 | 0 | 0 | 0 | 110.6 | R664 S668 S669 M670 | R664-I666 HydrophobicContact CG-CG2 4Å; R664-I666 PolarHBondContact O-N 3.06Å; I666-S668 WeakPolarHBondContact CD1-OG 3.47Å; I666-S668 WeakPolarHBondContact CG1-OG 3.39Å; I666-S668 PolarHBondContact O-N 2.78Å; I666-S668 VanDerWaalsContact O-N 3.14Å; I666-S669 WeakPolarHBondContact O-CA 3.42Å; I666-S669 VanDerWaalsContact O-CB 3.3Å; I666-S669 WeakPolarHBondContact O-CB 3.5Å; I666-S669 PolarHBondContact O-N 2.6Å; I666-M670 PolarHBondContact O-N 3.14Å; I666-M670 VanDerWaalsContact O-N 3.14Å | ||
| 667 | D | 85.3 | Confident | 82.4 | Confident | 127 Ų | 127 | 91 Ų | 91 | 68% | 0.679 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.5 | -33.9 | -176.5 | -60.2 | -18.3 | 0 | 0 | 0 | 112.5 | S669 M670 N671 | D667-S669 VanDerWaalsContact C-N 3.31Å; D667-S669 PolarHBondContact O-N 3.41Å; D667-M670 PolarHBondContact O-N 3.41Å; D667-M670 VanDerWaalsContact O-N 3.16Å; D667-N671 WeakPolarHBondContact O-CB 3.26Å; D667-N671 VanDerWaalsContact O-CG 3.28Å; D667-N671 PolarHBondContact O-N 2.81Å; D667-N671 PolarHBondContact O-ND2 3.14Å |
| 668 | S | 89.8 | Confident | 83.9 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.7 | -31.6 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | I666 K672 | I666-S668 WeakPolarHBondContact CD1-OG 3.47Å; I666-S668 WeakPolarHBondContact CG1-OG 3.39Å; I666-S668 PolarHBondContact O-N 2.78Å; I666-S668 VanDerWaalsContact O-N 3.14Å; S668-K672 WeakPolarHBondContact O-CG 3.44Å; S668-K672 PolarHBondContact O-N 3.35Å |
| 669 | S | 89.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 87 Ų | 87 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 171.1 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | I666 D667 K672 I673 | I666-S669 WeakPolarHBondContact O-CA 3.42Å; I666-S669 VanDerWaalsContact O-CB 3.3Å; I666-S669 WeakPolarHBondContact O-CB 3.5Å; I666-S669 PolarHBondContact O-N 2.6Å; D667-S669 VanDerWaalsContact C-N 3.31Å; D667-S669 PolarHBondContact O-N 3.41Å; S669-K672 PolarHBondContact O-N 3.28Å; S669-I673 WeakPolarHBondContact O-CG1 3.44Å; S669-I673 PolarHBondContact O-N 3.38Å; S669-I673 VanDerWaalsContact O-N 3.15Å |
| 670 | M | 90.7 | Very high | 86.3 | Confident | 62 Ų | 62 | 89.8 Ų | 89.8 | 31% | 0.305 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 179.3 | -68.5 | -47.7 | 78.1 | 0 | 0 | 112.5 | I665 I666 D667 K672 I673 D674 | I665-M670 HydrophobicContact CB-CE 4.43Å; I665-M670 HydrophobicContact CG2-CE 2.98Å; I665-M670 HydrophobicContact CG2-CG 3.65Å; I665-M670 HydrophobicContact CG2-SD 3.36Å; I665-M670 WeakPolarHBondContact CG2-SD 3.39Å; I666-M670 PolarHBondContact O-N 3.14Å; I666-M670 VanDerWaalsContact O-N 3.14Å; D667-M670 PolarHBondContact O-N 3.41Å; D667-M670 VanDerWaalsContact O-N 3.16Å; M670-K672 VanDerWaalsContact C-N 3.27Å; M670-K672 PolarHBondContact O-N 3.11Å; M670-I673 HydrophobicContact CE-CB 4.41Å; M670-I673 HydrophobicContact CE-CD1 3.28Å; M670-I673 HydrophobicContact CE-CG1 3.88Å; M670-I673 PolarHBondContact O-N 2.83Å; M670-I673 VanDerWaalsContact O-N 3.1Å; M670-I673 HydrophobicContact SD-CD1 4.2Å; M670-D674 PolarHBondContact O-N 3.24Å |
| 671 | N | 91.8 | Very high | 87.5 | Confident | 61 Ų | 61 | 87.3 Ų | 87.3 | 33% | 0.326 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -55.2 | -44.3 | 171.9 | -73.2 | -30.2 | 0 | 0 | 0 | 111.8 | D667 I673 D674 E675 R718 | D667-N671 WeakPolarHBondContact O-CB 3.26Å; D667-N671 VanDerWaalsContact O-CG 3.28Å; D667-N671 PolarHBondContact O-N 2.81Å; D667-N671 PolarHBondContact O-ND2 3.14Å; N671-I673 PolarHBondContact O-N 3.07Å; N671-D674 PolarHBondContact O-N 2.84Å; N671-E675 VanDerWaalsContact O-CB 3.25Å; N671-E675 WeakPolarHBondContact O-CB 3.5Å; N671-E675 WeakPolarHBondContact O-CG 3.46Å; N671-E675 PolarHBondContact O-N 2.92Å; N671-R718 PolarHBondContact OD1-NH1 3.46Å; N671-R718 PolarHBondContact OD1-NH2 3.39Å |
| 672 | K | 91.9 | Very high | 88.4 | Confident | 151 Ų | 151 | 82.9 Ų | 82.9 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.3 | -39.2 | 176.5 | -70.9 | 177.4 | -178 | -172.2 | 0 | 113.1 | S668 S669 M670 A676 | S668-K672 WeakPolarHBondContact O-CG 3.44Å; S668-K672 PolarHBondContact O-N 3.35Å; S669-K672 PolarHBondContact O-N 3.28Å; M670-K672 VanDerWaalsContact C-N 3.27Å; M670-K672 PolarHBondContact O-N 3.11Å; K672-A676 WeakPolarHBondContact O-CB 3.46Å; K672-A676 PolarHBondContact O-N 3.21Å |
| 673 | I | 92.3 | Very high | 89.6 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 177.6 | -66.3 | -173 | 0 | 0 | 0 | 110.4 | S669 M670 N671 E675 A676 R677 | S669-I673 WeakPolarHBondContact O-CG1 3.44Å; S669-I673 PolarHBondContact O-N 3.38Å; S669-I673 VanDerWaalsContact O-N 3.15Å; M670-I673 HydrophobicContact CE-CB 4.41Å; M670-I673 HydrophobicContact CE-CD1 3.28Å; M670-I673 HydrophobicContact CE-CG1 3.88Å; M670-I673 PolarHBondContact O-N 2.83Å; M670-I673 VanDerWaalsContact O-N 3.1Å; M670-I673 HydrophobicContact SD-CD1 4.2Å; N671-I673 PolarHBondContact O-N 3.07Å; I673-E675 VanDerWaalsContact C-N 3.33Å; I673-E675 PolarHBondContact O-N 2.92Å; I673-A676 PolarHBondContact O-N 2.87Å; I673-R677 WeakPolarHBondContact O-CG 3.46Å; I673-R677 PolarHBondContact O-N 3.14Å |
| 674 | D | 94.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 81.5 Ų | 81.5 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 179.8 | -67.6 | -16.3 | 0 | 0 | 0 | 111.3 | M670 N671 R677 L678 R718 | M670-D674 PolarHBondContact O-N 3.24Å; N671-D674 PolarHBondContact O-N 2.84Å; D674-R677 PolarHBondContact O-N 3.01Å; D674-R677 IonicContact OD1-NH1 3.48Å; D674-R677 PolarHBondContact OD1-NH1 3.28Å; D674-L678 WeakPolarHBondContact O-CG 3.45Å; D674-L678 PolarHBondContact O-N 2.92Å; D674-R718 HydrophobicContact CB-CG 3.79Å |
| 675 | E | 93.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 173 | -76.7 | 156.6 | -153.5 | 0 | 0 | 112.1 | N671 I673 R677 L678 A679 R718 M753 | N671-E675 VanDerWaalsContact O-CB 3.25Å; N671-E675 WeakPolarHBondContact O-CB 3.5Å; N671-E675 WeakPolarHBondContact O-CG 3.46Å; N671-E675 PolarHBondContact O-N 2.92Å; I673-E675 VanDerWaalsContact C-N 3.33Å; I673-E675 PolarHBondContact O-N 2.92Å; E675-R677 VanDerWaalsContact C-N 3.31Å; E675-R677 PolarHBondContact O-N 3.28Å; E675-L678 PolarHBondContact O-N 2.5Å; E675-A679 WeakPolarHBondContact O-CB 3.43Å; E675-A679 PolarHBondContact O-N 3.26Å; E675-R718 IonicContact OE1-NH2 3.57Å; E675-R718 PolarHBondContact OE1-NH2 3.16Å; E675-R718 VanDerWaalsContact OE1-NH2 3.15Å; E675-M753 HydrophobicContact CB-CE 4.02Å; E675-M753 HydrophobicContact CB-SD 3.88Å; E675-M753 HydrophobicContact CG-CE 4.28Å; E675-M753 HydrophobicContact CG-SD 4.08Å; E675-M753 VanDerWaalsContact O-SD 3.38Å |
| 676 | A | 94.7 | Very high | 92.6 | Very high | 62 Ų | 62 | 70 Ų | 70 | 51% | 0.512 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K672 I673 A679 F680 | K672-A676 WeakPolarHBondContact O-CB 3.46Å; K672-A676 PolarHBondContact O-N 3.21Å; I673-A676 PolarHBondContact O-N 2.87Å; A676-A679 PolarHBondContact O-N 3.11Å; A676-F680 PolarHBondContact O-N 3.3Å |
| 677 | R | 95.5 | Very high | 93.2 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 173.9 | -70.2 | -174.1 | -167.3 | 124.2 | 3.2 | 111.9 | I673 D674 E675 F680 A681 P723 | I673-R677 WeakPolarHBondContact O-CG 3.46Å; I673-R677 PolarHBondContact O-N 3.14Å; D674-R677 PolarHBondContact O-N 3.01Å; D674-R677 IonicContact OD1-NH1 3.48Å; D674-R677 PolarHBondContact OD1-NH1 3.28Å; E675-R677 VanDerWaalsContact C-N 3.31Å; E675-R677 PolarHBondContact O-N 3.28Å; R677-F680 PolarHBondContact O-N 3.46Å; R677-A681 PolarHBondContact O-N 3.26Å; R677-P723 HydrophobicContact CB-CG 4.08Å |
| 678 | L | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 176.6 | -73.3 | -179.8 | 0 | 0 | 0 | 112 | D674 E675 F680 A681 Q682 Y714 R718 P723 M753 | D674-L678 WeakPolarHBondContact O-CG 3.45Å; D674-L678 PolarHBondContact O-N 2.92Å; E675-L678 PolarHBondContact O-N 2.5Å; L678-F680 VanDerWaalsContact C-N 3.3Å; L678-F680 PolarHBondContact O-N 3.28Å; L678-A681 WeakPolarHBondContact O-CB 3.26Å; L678-A681 PolarHBondContact O-N 3.13Å; L678-A681 VanDerWaalsContact O-N 3.13Å; L678-Q682 WeakPolarHBondContact O-CG 3.44Å; L678-Q682 PolarHBondContact O-N 3.31Å; L678-Y714 HydrophobicContact CD1-CE2 4.13Å; L678-Y714 WeakPolarHBondContact CD1-OH 3.28Å; L678-R718 HydrophobicContact CD1-CB 3.94Å; L678-R718 HydrophobicContact CD1-CG 3.76Å; L678-R718 HydrophobicContact CG-CG 4.44Å; L678-P723 HydrophobicContact CD2-CB 3.93Å; L678-P723 HydrophobicContact CD2-CG 4.27Å; L678-M753 HydrophobicContact CB-CB 4Å; L678-M753 HydrophobicContact CB-SD 4.11Å; L678-M753 HydrophobicContact CD1-CB 3.88Å |
| 679 | A | 94.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 29% | 0.289 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E675 A676 Q682 M683 | E675-A679 WeakPolarHBondContact O-CB 3.43Å; E675-A679 PolarHBondContact O-N 3.26Å; A676-A679 PolarHBondContact O-N 3.11Å; A679-Q682 PolarHBondContact O-N 3.05Å; A679-M683 WeakPolarHBondContact O-CG 3.46Å; A679-M683 PolarHBondContact O-N 3.03Å |
| 680 | F | 95.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 56 Ų | 56 | 57% | 0.566 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 173.9 | -171.5 | -90.4 | 0 | 0 | 0 | 112.2 | A676 R677 L678 M683 Y684 | A676-F680 PolarHBondContact O-N 3.3Å; R677-F680 PolarHBondContact O-N 3.46Å; L678-F680 VanDerWaalsContact C-N 3.3Å; L678-F680 PolarHBondContact O-N 3.28Å; F680-M683 PolarHBondContact O-N 3.1Å; F680-Y684 HydrophobicContact CD1-CD2 4.39Å; F680-Y684 AromaticContact CD2-CD2 3.69Å; F680-Y684 HydrophobicContact CD2-CD2 3.69Å; F680-Y684 HydrophobicContact CD2-CE2 4.1Å; F680-Y684 HydrophobicContact CE1-CD2 4.19Å; F680-Y684 AromaticContact CE2-CD2 3.45Å; F680-Y684 HydrophobicContact CE2-CD2 3.45Å; F680-Y684 VanDerWaalsContact CE2-CD2 3.45Å; F680-Y684 AromaticContact CE2-CE2 3.88Å; F680-Y684 HydrophobicContact CE2-CE2 3.88Å; F680-Y684 HydrophobicContact CE2-CG 4.4Å; F680-Y684 HydrophobicContact CG-CD2 4.16Å; F680-Y684 AromaticContact CZ-CD2 3.72Å; F680-Y684 HydrophobicContact CZ-CD2 3.72Å; F680-Y684 HydrophobicContact CZ-CG 4.26Å; F680-Y684 PolarHBondContact O-N 3.28Å |
| 681 | A | 95.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R677 L678 M683 Y684 G685 P723 | R677-A681 PolarHBondContact O-N 3.26Å; L678-A681 WeakPolarHBondContact O-CB 3.26Å; L678-A681 PolarHBondContact O-N 3.13Å; L678-A681 VanDerWaalsContact O-N 3.13Å; A681-M683 PolarHBondContact O-N 3.14Å; A681-Y684 PolarHBondContact O-N 2.98Å; A681-G685 WeakPolarHBondContact O-CA 3.43Å; A681-G685 PolarHBondContact O-N 3.09Å; A681-P723 HydrophobicContact CB-CB 4.28Å; A681-P723 HydrophobicContact CB-CG 3.83Å |
| 682 | Q | 94.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.1 | -28.6 | 175.8 | -72.9 | -176.1 | -27 | 0 | 0 | 113.1 | L678 A679 | L678-Q682 WeakPolarHBondContact O-CG 3.44Å; L678-Q682 PolarHBondContact O-N 3.31Å; A679-Q682 PolarHBondContact O-N 3.05Å |
| 683 | M | 93.5 | Very high | 95.1 | Very high | 129 Ų | 129 | 44 Ų | 44 | 64% | 0.635 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -86.2 | -37.9 | 179.7 | -65.7 | 176.6 | 74.3 | 0 | 0 | 112.9 | A679 F680 A681 | A679-M683 WeakPolarHBondContact O-CG 3.46Å; A679-M683 PolarHBondContact O-N 3.03Å; F680-M683 PolarHBondContact O-N 3.1Å; A681-M683 PolarHBondContact O-N 3.14Å |
| 684 | Y | 93.8 | Very high | 95.1 | Very high | 157 Ų | 157 | 40.4 Ų | 40.4 | 62% | 0.616 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -138.8 | -6.7 | -166 | -52.3 | -67 | 0 | 0 | 0 | 114.5 | F680 A681 | F680-Y684 HydrophobicContact CD1-CD2 4.39Å; F680-Y684 AromaticContact CD2-CD2 3.69Å; F680-Y684 HydrophobicContact CD2-CD2 3.69Å; F680-Y684 HydrophobicContact CD2-CE2 4.1Å; F680-Y684 HydrophobicContact CE1-CD2 4.19Å; F680-Y684 AromaticContact CE2-CD2 3.45Å; F680-Y684 HydrophobicContact CE2-CD2 3.45Å; F680-Y684 VanDerWaalsContact CE2-CD2 3.45Å; F680-Y684 AromaticContact CE2-CE2 3.88Å; F680-Y684 HydrophobicContact CE2-CE2 3.88Å; F680-Y684 HydrophobicContact CE2-CG 4.4Å; F680-Y684 HydrophobicContact CG-CD2 4.16Å; F680-Y684 AromaticContact CZ-CD2 3.72Å; F680-Y684 HydrophobicContact CZ-CD2 3.72Å; F680-Y684 HydrophobicContact CZ-CG 4.26Å; F680-Y684 PolarHBondContact O-N 3.28Å; A681-Y684 PolarHBondContact O-N 2.98Å |
| 685 | G | 91.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 40 Ų | 40 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -75.6 | 160.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A681 | A681-G685 WeakPolarHBondContact O-CA 3.43Å; A681-G685 PolarHBondContact O-N 3.09Å |
| 686 | Q | 95.4 | Very high | 94.6 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 131.4 | 174.3 | 179.3 | 173.1 | 17.5 | 0 | 0 | 109.8 | F724 D725 E785 K788 | Q686-F724 HydrophobicContact CB-CD1 3.9Å; Q686-F724 HydrophobicContact CB-CE1 4.11Å; Q686-F724 HydrophobicContact CG-CD1 4.17Å; Q686-F724 HydrophobicContact CG-CE1 4.14Å; Q686-F724 WeakPolarHBondContact O-CA 3.3Å; Q686-F724 WeakPolarHBondContact O-CB 3.45Å; Q686-F724 WeakPolarHBondContact O-CD1 3.48Å; Q686-D725 PolarHBondContact O-N 2.79Å; Q686-E785 PolarHBondContact NE2-O 3.33Å; Q686-K788 PolarHBondContact NE2-O 3.09Å |
| 687 | P | 97.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 15% | 0.149 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 135.2 | 174.6 | -21.2 | 33.4 | 0 | 0 | 0 | 112.5 | D725 F765 I789 | P687-D725 CarbonylContact C-O 2.96Å; P687-D725 WeakPolarHBondContact CA-O 3.48Å; P687-F765 HydrophobicContact CB-CE1 4.1Å; P687-F765 HydrophobicContact CB-CZ 4.26Å; P687-F765 HydrophobicContact CG-CE1 4.35Å; P687-I789 HydrophobicContact CB-CG1 4.33Å; P687-I789 HydrophobicContact CB-CG2 4.21Å; P687-I789 HydrophobicContact CG-CG1 4.46Å |
| 688 | L | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.2 | 171.1 | -179.9 | 69.3 | 0 | 0 | 0 | 109.4 | F724 D725 L726 H727 Y790 I792 I840 L843 | L688-F724 HydrophobicContact CB-CB 3.6Å; L688-F724 HydrophobicContact CB-CD1 4.13Å; L688-F724 HydrophobicContact CB-CD2 4.21Å; L688-F724 HydrophobicContact CB-CG 3.73Å; L688-F724 HydrophobicContact CD2-CB 4.23Å; L688-F724 HydrophobicContact CD2-CD2 3.57Å; L688-F724 HydrophobicContact CD2-CE2 4.12Å; L688-F724 HydrophobicContact CD2-CG 3.99Å; L688-F724 HydrophobicContact CG-CD2 4.45Å; L688-F724 HydrophobicContact CG-CG 4.45Å; L688-D725 PolarHBondContact N-O 3.3Å; L688-L726 HydrophobicContact CB-CD2 4.23Å; L688-L726 HydrophobicContact CD2-CD2 3.92Å; L688-L726 HydrophobicContact CG-CD2 4.21Å; L688-H727 PolarHBondContact O-N 3.08Å; L688-Y790 WeakPolarHBondContact CD1-O 3.49Å; L688-I792 HydrophobicContact CD1-CD1 4.19Å; L688-I840 HydrophobicContact CD2-CB 4.47Å; L688-I840 HydrophobicContact CD2-CD1 4.22Å; L688-I840 HydrophobicContact CD2-CG1 3.96Å; L688-I840 HydrophobicContact CD2-CG2 4.01Å; L688-L843 HydrophobicContact CD1-CD1 3.99Å |
| 689 | V | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.6 | -170.8 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | H727 T729 F761 F765 I789 Y790 V791 I792 | V689-H727 CarbonylContact C-O 3.54Å; V689-H727 WeakPolarHBondContact CA-O 3.5Å; V689-H727 HydrophobicContact CG2-CB 4.2Å; V689-T729 HydrophobicContact CG1-CG2 3.78Å; V689-T729 WeakPolarHBondContact CG1-OG1 3.47Å; V689-F761 HydrophobicContact CG1-CB 3.67Å; V689-F761 HydrophobicContact CG1-CG 4.3Å; V689-F765 HydrophobicContact CG2-CD2 3.94Å; V689-F765 HydrophobicContact CG2-CE2 3.51Å; V689-F765 HydrophobicContact CG2-CZ 4.26Å; V689-I789 HydrophobicContact CG2-CG2 3.76Å; V689-Y790 PolarHBondContact N-O 3.4Å; V689-V791 HydrophobicContact CB-CB 4.41Å; V689-V791 HydrophobicContact CB-CG1 4.28Å; V689-V791 HydrophobicContact CB-CG2 4.1Å; V689-V791 HydrophobicContact CG1-CG1 4.01Å; V689-V791 HydrophobicContact CG1-CG2 4.41Å; V689-V791 CarbonylContact O-C 3.6Å; V689-V791 WeakPolarHBondContact O-CA 3.19Å; V689-I792 PolarHBondContact O-N 2.94Å |
| 690 | L | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.4 | 163.9 | -57.3 | -172.3 | 0 | 0 | 0 | 109.2 | M692 L710 C713 H727 F728 T729 I792 I840 | L690-M692 PolarHBondContact O-N 3.28Å; L690-L710 HydrophobicContact CB-CD2 4.31Å; L690-L710 HydrophobicContact CD1-CD2 3.5Å; L690-L710 VanDerWaalsContact CD1-CD2 3.5Å; L690-C713 HydrophobicContact CD1-CB 4.11Å; L690-H727 PolarHBondContact N-O 3.48Å; L690-F728 HydrophobicContact CB-CD1 3.91Å; L690-F728 HydrophobicContact CB-CE1 4.23Å; L690-F728 HydrophobicContact CD1-CD1 4.05Å; L690-F728 HydrophobicContact CD1-CE1 3.47Å; L690-F728 VanDerWaalsContact CD1-CE1 3.47Å; L690-F728 HydrophobicContact CD1-CZ 4.17Å; L690-F728 HydrophobicContact CG-CD1 4.23Å; L690-F728 HydrophobicContact CG-CE1 4.12Å; L690-F728 WeakPolarHBondContact O-CA 3.29Å; L690-T729 PolarHBondContact O-N 3.34Å; L690-I792 CarbonylContact C-O 3.6Å; L690-I792 WeakPolarHBondContact CA-O 3.26Å; L690-I792 HydrophobicContact CD2-CB 3.78Å; L690-I792 HydrophobicContact CD2-CD1 4.13Å; L690-I792 HydrophobicContact CD2-CG1 4.41Å; L690-I792 HydrophobicContact CD2-CG2 4.4Å; L690-I840 HydrophobicContact CD1-CD1 4.18Å; L690-I840 HydrophobicContact CD2-CD1 4.05Å |
| 691 | D | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 107.7 | -179 | 167.8 | 26.7 | 0 | 0 | 0 | 110 | S693 P694 F761 Y772 V791 I792 A794 K808 | D691-S693 WeakPolarHBondContact OD1-CB 3.48Å; D691-S693 PolarHBondContact OD1-N 2.8Å; D691-P694 WeakPolarHBondContact O-CD 3.47Å; D691-F761 HydrophobicContact CB-CD1 4.06Å; D691-F761 HydrophobicContact CB-CE1 4.04Å; D691-Y772 PolarHBondContact OD2-OH 3.23Å; D691-V791 HydrophobicContact CB-CG1 3.86Å; D691-I792 PolarHBondContact N-O 3.46Å; D691-A794 VanDerWaalsContact O-CB 3.27Å; D691-A794 WeakPolarHBondContact O-CB 3.44Å; D691-A794 PolarHBondContact O-N 3.1Å; D691-K808 IonicContact OD1-NZ 2.86Å; D691-K808 PolarHBondContact OD1-NZ 3.01Å; D691-K808 WeakPolarHBondContact OD2-CE 3.31Å; D691-K808 IonicContact OD2-NZ 2.72Å; D691-K808 PolarHBondContact OD2-NZ 3.04Å |
| 692 | M | 95.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | trans | -85 | -6.3 | -173.7 | -60.9 | -65.9 | -73 | 0 | 0 | 113.8 | L690 P694 M695 W707 L710 F728 T729 A794 | L690-M692 PolarHBondContact O-N 3.28Å; M692-P694 VanDerWaalsContact C-N 3.28Å; M692-P694 WeakPolarHBondContact O-CD 3.39Å; M692-P694 VanDerWaalsContact O-N 3.12Å; M692-M695 HydrophobicContact CB-CG 4.44Å; M692-M695 HydrophobicContact CE-CE 4.07Å; M692-M695 HydrophobicContact CE-CG 3.97Å; M692-M695 HydrophobicContact CE-SD 4.43Å; M692-M695 WeakPolarHBondContact O-CB 3.33Å; M692-M695 WeakPolarHBondContact O-CG 3.48Å; M692-M695 PolarHBondContact O-N 3.3Å; M692-W707 HydrophobicContact CE-CH2 3.73Å; M692-W707 HydrophobicContact CE-CZ2 4.13Å; M692-W707 HydrophobicContact CE-CZ3 4.08Å; M692-L710 HydrophobicContact CE-CD1 3.46Å; M692-L710 VanDerWaalsContact CE-CD1 3.46Å; M692-L710 HydrophobicContact SD-CD1 3.66Å; M692-L710 HydrophobicContact SD-CD2 3.99Å; M692-L710 HydrophobicContact SD-CG 4.5Å; M692-F728 HydrophobicContact CG-CB 4.05Å; M692-F728 HydrophobicContact SD-CD2 4.45Å; M692-F728 HydrophobicContact SD-CG 4.5Å; M692-T729 WeakPolarHBondContact CA-O 3.32Å; M692-T729 WeakPolarHBondContact CB-O 3.35Å; M692-T729 PolarHBondContact N-O 2.81Å; M692-A794 HydrophobicContact SD-CB 3.56Å; M692-A794 VanDerWaalsContact SD-CB 3.56Å | ||
| 693 | S | 92.8 | Very high | 91.3 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -53.3 | -34 | 179.7 | 101.3 | 0 | 0 | 0 | 0 | 115.3 | D691 M695 R696 D730 K808 | D691-S693 WeakPolarHBondContact OD1-CB 3.48Å; D691-S693 PolarHBondContact OD1-N 2.8Å; S693-M695 PolarHBondContact O-N 3.27Å; S693-M695 VanDerWaalsContact O-N 3.11Å; S693-R696 PolarHBondContact O-N 3.42Å; S693-D730 WeakPolarHBondContact CB-OD2 3.42Å; S693-K808 VanDerWaalsContact CB-NZ 3.29Å; S693-K808 PolarHBondContact OG-NZ 3.03Å |
| 694 | P | 91 | Very high | 91 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -58 | -24.9 | 178.2 | -21.4 | 29.4 | 0 | 0 | 0 | 113.4 | D691 M692 R696 E697 L698 M795 W804 | D691-P694 WeakPolarHBondContact O-CD 3.47Å; M692-P694 VanDerWaalsContact C-N 3.28Å; M692-P694 WeakPolarHBondContact O-CD 3.39Å; M692-P694 VanDerWaalsContact O-N 3.12Å; P694-R696 PolarHBondContact O-N 3.43Å; P694-R696 VanDerWaalsContact O-N 3.07Å; P694-E697 PolarHBondContact O-N 2.97Å; P694-L698 WeakPolarHBondContact O-CG 3.45Å; P694-L698 PolarHBondContact O-N 3.43Å; P694-M795 HydrophobicContact CB-CB 4.04Å; P694-M795 HydrophobicContact CB-CE 4.04Å; P694-M795 HydrophobicContact CB-SD 4.39Å; P694-M795 HydrophobicContact CG-CE 3.49Å; P694-M795 VanDerWaalsContact CG-CE 3.49Å; P694-M795 HydrophobicContact CG-SD 4.46Å; P694-W804 HydrophobicContact CB-CH2 4.2Å; P694-W804 HydrophobicContact CB-CZ2 4.39Å; P694-W804 HydrophobicContact CG-CH2 3.57Å; P694-W804 HydrophobicContact CG-CZ2 4.23Å; P694-W804 HydrophobicContact CG-CZ3 3.77Å |
| 695 | M | 90.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -57.5 | -26 | -175.1 | -64.1 | -70.8 | -83.5 | 0 | 0 | 113.4 | M692 S693 E697 L698 T703 T706 W707 L735 | M692-M695 HydrophobicContact CB-CG 4.44Å; M692-M695 HydrophobicContact CE-CE 4.07Å; M692-M695 HydrophobicContact CE-CG 3.97Å; M692-M695 HydrophobicContact CE-SD 4.43Å; M692-M695 WeakPolarHBondContact O-CB 3.33Å; M692-M695 WeakPolarHBondContact O-CG 3.48Å; M692-M695 PolarHBondContact O-N 3.3Å; S693-M695 PolarHBondContact O-N 3.27Å; S693-M695 VanDerWaalsContact O-N 3.11Å; M695-E697 VanDerWaalsContact C-N 3.26Å; M695-E697 PolarHBondContact O-N 2.86Å; M695-L698 HydrophobicContact SD-CD1 3.84Å; M695-T703 HydrophobicContact CE-CG2 3.45Å; M695-T703 VanDerWaalsContact CE-CG2 3.45Å; M695-T703 HydrophobicContact SD-CG2 4.12Å; M695-T706 HydrophobicContact SD-CG2 3.61Å; M695-W707 HydrophobicContact CE-CD2 3.95Å; M695-W707 HydrophobicContact CE-CG 4.1Å; M695-W707 HydrophobicContact CE-CZ2 3.83Å; M695-L735 HydrophobicContact CB-CD1 4.1Å |
| 696 | R | 88.6 | Confident | 90.9 | Very high | 131 Ų | 131 | 24.1 Ų | 24.1 | 49% | 0.494 | 12% | 0.119 | S | C | . | . | G | 310 helix | trans | -65.6 | -27.9 | 176.7 | -58.4 | 175.9 | -175.3 | -90.8 | -3.2 | 113.1 | S693 P694 D730 D732 L735 | S693-R696 PolarHBondContact O-N 3.42Å; P694-R696 PolarHBondContact O-N 3.43Å; P694-R696 VanDerWaalsContact O-N 3.07Å; R696-D730 IonicContact CZ-OD1 3.93Å; R696-D730 IonicContact NE-OD1 3.86Å; R696-D730 IonicContact NH2-OD1 3.1Å; R696-D730 PolarHBondContact NH2-OD1 2.99Å; R696-D730 VanDerWaalsContact NH2-OD1 3.1Å; R696-D732 IonicContact CZ-OD2 3.2Å; R696-D732 IonicContact NH1-OD2 2.61Å; R696-D732 PolarHBondContact NH1-OD2 3.45Å; R696-D732 IonicContact NH2-OD2 3.34Å; R696-D732 PolarHBondContact NH2-OD2 3.48Å; R696-L735 HydrophobicContact CB-CD2 4.5Å; R696-L735 HydrophobicContact CG-CD1 4.18Å; R696-L735 HydrophobicContact CG-CD2 4.16Å |
| 697 | E | 85.2 | Confident | 90.9 | Very high | 116 Ų | 116 | 22.8 Ų | 22.8 | 54% | 0.542 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -6.4 | -173.2 | -62.7 | 174.7 | -168.4 | 0 | 0 | 112.8 | P694 M695 R801 W804 | P694-E697 PolarHBondContact O-N 2.97Å; M695-E697 VanDerWaalsContact C-N 3.26Å; M695-E697 PolarHBondContact O-N 2.86Å; E697-R801 PolarHBondContact O-NH2 3.34Å; E697-R801 IonicContact OE2-NH1 3.75Å; E697-W804 PolarHBondContact OE2-NE1 3.09Å |
| 698 | L | 86 | Confident | 90.7 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 9% | 0.089 | 12% | 0.117 | C | C | . | . | trans | -77.7 | 139.8 | -176.1 | -67.5 | -179.8 | 0 | 0 | 0 | 111.2 | P694 M695 E702 T703 T706 M795 | P694-L698 WeakPolarHBondContact O-CG 3.45Å; P694-L698 PolarHBondContact O-N 3.43Å; M695-L698 HydrophobicContact SD-CD1 3.84Å; L698-E702 HydrophobicContact CB-CB 3.92Å; L698-E702 HydrophobicContact CD1-CB 4.49Å; L698-E702 HydrophobicContact CD2-CB 4.03Å; L698-E702 HydrophobicContact CG-CB 4.35Å; L698-T703 PolarHBondContact O-OG1 2.97Å; L698-T706 HydrophobicContact CD1-CG2 4.35Å; L698-T706 WeakPolarHBondContact CD1-OG1 3.22Å; L698-M795 HydrophobicContact CD1-CB 4.35Å; L698-M795 HydrophobicContact CD2-CB 4.23Å | ||
| 699 | S | 83.4 | Confident | 90.5 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 23% | 0.231 | 12% | 0.122 | C | C | . | . | trans | -64 | 156.9 | 170.5 | 65 | 0 | 0 | 0 | 0 | 110.7 | I701 E702 T703 | S699-I701 PolarHBondContact O-N 2.9Å; S699-E702 VanDerWaalsContact CB-OE2 3.31Å; S699-E702 WeakPolarHBondContact CB-OE2 3.27Å; S699-E702 PolarHBondContact N-OE2 3.13Å; S699-E702 WeakPolarHBondContact O-CA 3.18Å; S699-E702 WeakPolarHBondContact O-CB 3.25Å; S699-E702 PolarHBondContact O-N 2.91Å; S699-E702 VanDerWaalsContact OG-CG 3.29Å; S699-E702 WeakPolarHBondContact OG-CG 3.23Å; S699-E702 PolarHBondContact OG-OE2 3.18Å; S699-T703 PolarHBondContact O-N 2.69Å; S699-T703 PolarHBondContact O-OG1 2.97Å; S699-T703 VanDerWaalsContact O-OG1 3.06Å | ||
| 700 | P | 81.4 | Confident | 90.4 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -49 | -35.8 | 177.5 | -33.7 | 38.5 | 0 | 0 | 0 | 115.1 | R597 I600 L601 D704 | R597-P700 HydrophobicContact CG-CB 3.7Å; R597-P700 HydrophobicContact CG-CG 4.44Å; R597-P700 VanDerWaalsContact NE-CB 3.34Å; R597-P700 PolarHBondContact NE-O 2.89Å; R597-P700 PolarHBondContact NH2-O 2.91Å; I600-P700 HydrophobicContact CG2-CG 4.22Å; L601-P700 HydrophobicContact CD2-CB 4.3Å; L601-P700 HydrophobicContact CD2-CG 3.77Å; L601-P700 HydrophobicContact CG-CG 4.46Å; P700-D704 PolarHBondContact O-N 3.48Å |
| 701 | I | 83.7 | Confident | 90.3 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 14% | 0.138 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.6 | -41 | 176.7 | -65.4 | 170 | 0 | 0 | 0 | 111 | Y610 S699 L705 | Y610-I701 HydrophobicContact CD2-CD1 4.35Å; Y610-I701 HydrophobicContact CD2-CG1 3.84Å; S699-I701 PolarHBondContact O-N 2.9Å; I701-L705 HydrophobicContact CG2-CD1 4.08Å; I701-L705 VanDerWaalsContact O-CG 3.3Å; I701-L705 WeakPolarHBondContact O-CG 3.35Å; I701-L705 PolarHBondContact O-N 3.46Å; I701-L705 VanDerWaalsContact O-N 3.12Å |
| 702 | E | 87 | Confident | 90.3 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 8% | 0.084 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -38.1 | -178.8 | -70.9 | 158.9 | 166.3 | 0 | 0 | 111.4 | L698 S699 L705 T706 R798 | L698-E702 HydrophobicContact CB-CB 3.92Å; L698-E702 HydrophobicContact CD1-CB 4.49Å; L698-E702 HydrophobicContact CD2-CB 4.03Å; L698-E702 HydrophobicContact CG-CB 4.35Å; S699-E702 VanDerWaalsContact CB-OE2 3.31Å; S699-E702 WeakPolarHBondContact CB-OE2 3.27Å; S699-E702 PolarHBondContact N-OE2 3.13Å; S699-E702 WeakPolarHBondContact O-CA 3.18Å; S699-E702 WeakPolarHBondContact O-CB 3.25Å; S699-E702 PolarHBondContact O-N 2.91Å; S699-E702 VanDerWaalsContact OG-CG 3.29Å; S699-E702 WeakPolarHBondContact OG-CG 3.23Å; S699-E702 PolarHBondContact OG-OE2 3.18Å; E702-L705 PolarHBondContact O-N 3.1Å; E702-T706 WeakPolarHBondContact O-CB 3Å; E702-T706 PolarHBondContact O-N 2.95Å; E702-T706 PolarHBondContact O-OG1 2.86Å; E702-R798 WeakPolarHBondContact OE1-CD 3.31Å; E702-R798 IonicContact OE1-CZ 2.96Å; E702-R798 IonicContact OE1-NE 3.49Å; E702-R798 PolarHBondContact OE1-NE 2.88Å; E702-R798 IonicContact OE1-NH1 2.79Å; E702-R798 PolarHBondContact OE1-NH1 3.24Å; E702-R798 IonicContact OE1-NH2 2.74Å |
| 703 | T | 89 | Confident | 90.3 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64 | -43.4 | 175.8 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | M695 L698 S699 L705 T706 W707 T737 | M695-T703 HydrophobicContact CE-CG2 3.45Å; M695-T703 VanDerWaalsContact CE-CG2 3.45Å; M695-T703 HydrophobicContact SD-CG2 4.12Å; L698-T703 PolarHBondContact O-OG1 2.97Å; S699-T703 PolarHBondContact O-N 2.69Å; S699-T703 PolarHBondContact O-OG1 2.97Å; S699-T703 VanDerWaalsContact O-OG1 3.06Å; T703-L705 VanDerWaalsContact C-N 3.35Å; T703-L705 PolarHBondContact O-N 2.83Å; T703-T706 PolarHBondContact O-N 3.24Å; T703-W707 VanDerWaalsContact O-CD1 3.29Å; T703-W707 PolarHBondContact O-N 2.96Å; T703-T737 VanDerWaalsContact CG2-CB 3.49Å; T703-T737 HydrophobicContact CG2-CG2 3.87Å |
| 704 | D | 88.3 | Confident | 90.5 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 176.8 | -173.2 | 58.5 | 0 | 0 | 0 | 111.2 | Y613 K617 P700 S708 R743 Y744 | Y613-D704 WeakPolarHBondContact CE1-OD2 3.43Å; Y613-D704 PolarHBondContact OH-OD2 3.39Å; K617-D704 IonicContact NZ-OD1 3.18Å; K617-D704 IonicContact NZ-OD2 3.52Å; K617-D704 PolarHBondContact NZ-OD2 3.46Å; P700-D704 PolarHBondContact O-N 3.48Å; D704-S708 PolarHBondContact O-N 3.18Å; D704-S708 VanDerWaalsContact O-N 3.1Å; D704-R743 IonicContact OD1-NH1 2.77Å; D704-R743 PolarHBondContact OD1-NH1 2.83Å; D704-Y744 PolarHBondContact O-OH 2.71Å; D704-Y744 VanDerWaalsContact OD1-CE2 3.26Å; D704-Y744 WeakPolarHBondContact OD1-CE2 3.38Å; D704-Y744 PolarHBondContact OD1-OH 3.47Å; D704-Y744 PolarHBondContact OD2-OH 3.17Å |
| 705 | L | 90.4 | Very high | 90.8 | Very high | 59 Ų | 59 | 35.9 Ų | 35.9 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.4 | -35.1 | 175.6 | -69.3 | 174 | 0 | 0 | 0 | 112.4 | I701 E702 T703 S708 Q709 V796 | I701-L705 HydrophobicContact CG2-CD1 4.08Å; I701-L705 VanDerWaalsContact O-CG 3.3Å; I701-L705 WeakPolarHBondContact O-CG 3.35Å; I701-L705 PolarHBondContact O-N 3.46Å; I701-L705 VanDerWaalsContact O-N 3.12Å; E702-L705 PolarHBondContact O-N 3.1Å; T703-L705 VanDerWaalsContact C-N 3.35Å; T703-L705 PolarHBondContact O-N 2.83Å; L705-S708 WeakPolarHBondContact O-CB 3.27Å; L705-S708 PolarHBondContact O-N 3.01Å; L705-Q709 PolarHBondContact O-N 3.11Å; L705-V796 HydrophobicContact CB-CB 4.41Å; L705-V796 HydrophobicContact CB-CG1 4.41Å; L705-V796 HydrophobicContact CB-CG2 3.59Å; L705-V796 HydrophobicContact CD1-CG1 4.45Å |
| 706 | T | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.7 | -45.3 | 179.6 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | M695 L698 E702 T703 S708 Q709 L710 A794 V796 L836 | M695-T706 HydrophobicContact SD-CG2 3.61Å; L698-T706 HydrophobicContact CD1-CG2 4.35Å; L698-T706 WeakPolarHBondContact CD1-OG1 3.22Å; E702-T706 WeakPolarHBondContact O-CB 3Å; E702-T706 PolarHBondContact O-N 2.95Å; E702-T706 PolarHBondContact O-OG1 2.86Å; T703-T706 PolarHBondContact O-N 3.24Å; T706-S708 VanDerWaalsContact C-N 3.3Å; T706-S708 PolarHBondContact O-N 3.22Å; T706-Q709 CarbonylContact O-C 3.58Å; T706-Q709 PolarHBondContact O-N 3.48Å; T706-L710 HydrophobicContact CG2-CD1 4.15Å; T706-L710 HydrophobicContact CG2-CG 4.39Å; T706-L710 VanDerWaalsContact O-CG 3.31Å; T706-L710 WeakPolarHBondContact O-CG 3.31Å; T706-L710 PolarHBondContact O-N 3.2Å; T706-A794 HydrophobicContact CG2-CB 4.32Å; T706-A794 WeakPolarHBondContact CG2-O 3.28Å; T706-V796 VanDerWaalsContact OG1-CG2 3.24Å; T706-V796 WeakPolarHBondContact OG1-CG2 3.14Å; T706-V796 PolarHBondContact OG1-N 3.38Å; T706-L836 HydrophobicContact CG2-CD1 4.39Å |
| 707 | W | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -39.6 | 172.5 | -80 | 121.1 | 0 | 0 | 0 | 113.1 | M692 M695 T703 Q709 L710 R711 T737 W738 D740 Y744 F745 L749 | M692-W707 HydrophobicContact CE-CH2 3.73Å; M692-W707 HydrophobicContact CE-CZ2 4.13Å; M692-W707 HydrophobicContact CE-CZ3 4.08Å; M695-W707 HydrophobicContact CE-CD2 3.95Å; M695-W707 HydrophobicContact CE-CG 4.1Å; M695-W707 HydrophobicContact CE-CZ2 3.83Å; T703-W707 VanDerWaalsContact O-CD1 3.29Å; T703-W707 PolarHBondContact O-N 2.96Å; W707-Q709 VanDerWaalsContact C-N 3.35Å; W707-Q709 PolarHBondContact O-N 3.4Å; W707-L710 HydrophobicContact CD2-CD1 4.22Å; W707-L710 HydrophobicContact CE3-CB 4.42Å; W707-L710 HydrophobicContact CE3-CD1 3.71Å; W707-L710 HydrophobicContact CZ3-CD1 3.99Å; W707-L710 PolarHBondContact O-N 3.5Å; W707-R711 PolarHBondContact O-N 2.99Å; W707-T737 PolarHBondContact NE1-O 3.23Å; W707-W738 HydrophobicContact CH2-CE3 4.2Å; W707-W738 AromaticContact CH2-CZ3 3.95Å; W707-W738 HydrophobicContact CH2-CZ3 3.95Å; W707-W738 AromaticContact CZ2-CE3 3.98Å; W707-W738 HydrophobicContact CZ2-CE3 3.98Å; W707-W738 HydrophobicContact CZ2-CZ3 4.17Å; W707-D740 HydrophobicContact CG-CB 3.99Å; W707-Y744 HydrophobicContact CB-CD2 3.39Å; W707-Y744 HydrophobicContact CB-CE2 3.75Å; W707-Y744 HydrophobicContact CB-CG 3.99Å; W707-Y744 HydrophobicContact CG-CD2 4.26Å; W707-F745 HydrophobicContact CE3-CD2 4.44Å; W707-F745 HydrophobicContact CE3-CE2 4.12Å; W707-F745 HydrophobicContact CZ3-CD2 4.46Å; W707-F745 HydrophobicContact CZ3-CE2 4.21Å; W707-L749 HydrophobicContact CH2-CD1 4.46Å; W707-L749 HydrophobicContact CZ3-CD2 4.47Å |
| 708 | S | 93.3 | Very high | 91.9 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 25% | 0.245 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 172.4 | -170.6 | 0 | 0 | 0 | 0 | 111.7 | D704 L705 T706 R711 E712 | D704-S708 PolarHBondContact O-N 3.18Å; D704-S708 VanDerWaalsContact O-N 3.1Å; L705-S708 WeakPolarHBondContact O-CB 3.27Å; L705-S708 PolarHBondContact O-N 3.01Å; T706-S708 VanDerWaalsContact C-N 3.3Å; T706-S708 PolarHBondContact O-N 3.22Å; S708-R711 PolarHBondContact O-N 2.65Å; S708-E712 WeakPolarHBondContact O-CG 3.29Å; S708-E712 PolarHBondContact O-N 3.33Å |
| 709 | Q | 93.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.1 | -36.9 | 177.7 | -72.6 | -172.5 | 24.7 | 0 | 0 | 112.7 | L705 T706 W707 R711 E712 C713 L836 | L705-Q709 PolarHBondContact O-N 3.11Å; T706-Q709 CarbonylContact O-C 3.58Å; T706-Q709 PolarHBondContact O-N 3.48Å; W707-Q709 VanDerWaalsContact C-N 3.35Å; W707-Q709 PolarHBondContact O-N 3.4Å; Q709-R711 VanDerWaalsContact C-N 3.32Å; Q709-R711 PolarHBondContact O-N 2.79Å; Q709-E712 CarbonylContact O-C 3.48Å; Q709-E712 WeakPolarHBondContact O-CB 3.41Å; Q709-E712 PolarHBondContact O-N 2.87Å; Q709-C713 WeakPolarHBondContact O-CB 3.38Å; Q709-C713 PolarHBondContact O-N 3.31Å; Q709-C713 PolarHBondContact O-SG 3.4Å; Q709-L836 HydrophobicContact CB-CB 4.38Å; Q709-L836 HydrophobicContact CB-CD1 4.12Å; Q709-L836 HydrophobicContact CB-CG 4.49Å; Q709-L836 VanDerWaalsContact OE1-N 3.08Å |
| 710 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.3 | -72.5 | 168 | 0 | 0 | 0 | 111.5 | L690 M692 T706 W707 C713 Y714 F728 A794 L836 | L690-L710 HydrophobicContact CB-CD2 4.31Å; L690-L710 HydrophobicContact CD1-CD2 3.5Å; L690-L710 VanDerWaalsContact CD1-CD2 3.5Å; M692-L710 HydrophobicContact CE-CD1 3.46Å; M692-L710 VanDerWaalsContact CE-CD1 3.46Å; M692-L710 HydrophobicContact SD-CD1 3.66Å; M692-L710 HydrophobicContact SD-CD2 3.99Å; M692-L710 HydrophobicContact SD-CG 4.5Å; T706-L710 HydrophobicContact CG2-CD1 4.15Å; T706-L710 HydrophobicContact CG2-CG 4.39Å; T706-L710 VanDerWaalsContact O-CG 3.31Å; T706-L710 WeakPolarHBondContact O-CG 3.31Å; T706-L710 PolarHBondContact O-N 3.2Å; W707-L710 HydrophobicContact CD2-CD1 4.22Å; W707-L710 HydrophobicContact CE3-CB 4.42Å; W707-L710 HydrophobicContact CE3-CD1 3.71Å; W707-L710 HydrophobicContact CZ3-CD1 3.99Å; W707-L710 PolarHBondContact O-N 3.5Å; L710-C713 VanDerWaalsContact O-CB 3.32Å; L710-C713 WeakPolarHBondContact O-CB 3.47Å; L710-C713 PolarHBondContact O-N 3.1Å; L710-Y714 PolarHBondContact O-N 3.45Å; L710-F728 HydrophobicContact CB-CE2 4.36Å; L710-F728 HydrophobicContact CB-CZ 4.28Å; L710-F728 HydrophobicContact CD2-CE1 4.38Å; L710-F728 HydrophobicContact CD2-CE2 4.32Å; L710-F728 HydrophobicContact CD2-CZ 4.06Å; L710-A794 HydrophobicContact CD2-CB 4.03Å; L710-L836 HydrophobicContact CD2-CD1 4.22Å; L710-L836 HydrophobicContact CG-CD1 4.44Å |
| 711 | R | 95.7 | Very high | 93.5 | Very high | 103 Ų | 103 | 33.8 Ų | 33.8 | 39% | 0.389 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 171.6 | -172.6 | -168.7 | -177.8 | -153.1 | -3.6 | 111.2 | W707 S708 Q709 C713 Y714 F715 Y744 F745 | W707-R711 PolarHBondContact O-N 2.99Å; S708-R711 PolarHBondContact O-N 2.65Å; Q709-R711 VanDerWaalsContact C-N 3.32Å; Q709-R711 PolarHBondContact O-N 2.79Å; R711-C713 VanDerWaalsContact C-N 3.3Å; R711-C713 PolarHBondContact O-N 2.74Å; R711-Y714 PolarHBondContact O-N 3.49Å; R711-F715 HydrophobicContact CG-CD2 3.89Å; R711-F715 HydrophobicContact CG-CE2 3.73Å; R711-F715 VanDerWaalsContact O-CD2 3.25Å; R711-F715 WeakPolarHBondContact O-CD2 3.22Å; R711-F715 PolarHBondContact O-N 3.41Å; R711-F715 VanDerWaalsContact O-N 3.1Å; R711-Y744 WeakPolarHBondContact CD-O 3.5Å; R711-Y744 PolarHBondContact NE-O 2.97Å; R711-Y744 VanDerWaalsContact NE-O 3.14Å; R711-F745 HydrophobicContact CB-CE2 4.22Å; R711-F745 HydrophobicContact CB-CZ 4.14Å |
| 712 | E | 95.8 | Very high | 94 | Very high | 83 Ų | 83 | 35.7 Ų | 35.7 | 39% | 0.388 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.2 | -71.5 | 174 | -160.9 | 0 | 0 | 111.9 | S708 Q709 Y714 F715 V716 N837 | S708-E712 WeakPolarHBondContact O-CG 3.29Å; S708-E712 PolarHBondContact O-N 3.33Å; Q709-E712 CarbonylContact O-C 3.48Å; Q709-E712 WeakPolarHBondContact O-CB 3.41Å; Q709-E712 PolarHBondContact O-N 2.87Å; E712-Y714 PolarHBondContact O-N 3.26Å; E712-F715 PolarHBondContact O-N 3.34Å; E712-V716 WeakPolarHBondContact O-CB 3.46Å; E712-V716 VanDerWaalsContact O-CG2 3.27Å; E712-V716 WeakPolarHBondContact O-CG2 3.44Å; E712-V716 PolarHBondContact O-N 2.8Å; E712-N837 HydrophobicContact CB-CB 3.96Å; E712-N837 PolarHBondContact OE2-ND2 3.44Å |
| 713 | C | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 175 | -71.2 | 0 | 0 | 0 | 0 | 111.5 | L690 Q709 L710 R711 F715 V716 N717 L836 N837 I840 | L690-C713 HydrophobicContact CD1-CB 4.11Å; Q709-C713 WeakPolarHBondContact O-CB 3.38Å; Q709-C713 PolarHBondContact O-N 3.31Å; Q709-C713 PolarHBondContact O-SG 3.4Å; L710-C713 VanDerWaalsContact O-CB 3.32Å; L710-C713 WeakPolarHBondContact O-CB 3.47Å; L710-C713 PolarHBondContact O-N 3.1Å; R711-C713 VanDerWaalsContact C-N 3.3Å; R711-C713 PolarHBondContact O-N 2.74Å; C713-F715 PolarHBondContact O-N 2.76Å; C713-V716 PolarHBondContact O-N 2.87Å; C713-N717 WeakPolarHBondContact O-CB 3.49Å; C713-N717 PolarHBondContact O-N 3.49Å; C713-L836 WeakPolarHBondContact SG-CB 3.24Å; C713-N837 VanDerWaalsContact SG-CA 3.58Å; C713-N837 PolarHBondContact SG-N 2.97Å; C713-I840 HydrophobicContact CB-CD1 3.45Å; C713-I840 VanDerWaalsContact CB-CD1 3.45Å; C713-I840 WeakPolarHBondContact SG-CD1 3.49Å |
| 714 | Y | 96.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.1 | -47.5 | 177.7 | 175.1 | -95.4 | 0 | 0 | 0 | 111.8 | L678 L710 R711 E712 N717 R718 F745 Y752 M753 L754 | L678-Y714 HydrophobicContact CD1-CE2 4.13Å; L678-Y714 WeakPolarHBondContact CD1-OH 3.28Å; L710-Y714 PolarHBondContact O-N 3.45Å; R711-Y714 PolarHBondContact O-N 3.49Å; E712-Y714 PolarHBondContact O-N 3.26Å; Y714-N717 PolarHBondContact O-N 3.42Å; Y714-R718 HydrophobicContact CE1-CB 4.22Å; Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.38Å; Y714-R718 PolarHBondContact O-N 3.41Å; Y714-F745 HydrophobicContact CD1-CE1 4.47Å; Y714-F745 HydrophobicContact CG-CE1 4.17Å; Y714-Y752 AromaticContact CD1-CD1 3.96Å; Y714-Y752 HydrophobicContact CD1-CD1 3.96Å; Y714-Y752 HydrophobicContact CD1-CE1 4.48Å; Y714-Y752 AromaticContact CE1-CD1 3.43Å; Y714-Y752 HydrophobicContact CE1-CD1 3.43Å; Y714-Y752 VanDerWaalsContact CE1-CD1 3.43Å; Y714-Y752 HydrophobicContact CE1-CE1 4.13Å; Y714-Y752 HydrophobicContact CE1-CG 4.42Å; Y714-Y752 AromaticContact CZ-CD1 3.75Å; Y714-M753 PolarHBondContact OH-N 3.03Å; Y714-L754 HydrophobicContact CD2-CB 4.07Å; Y714-L754 HydrophobicContact CD2-CD2 3.6Å; Y714-L754 HydrophobicContact CD2-CG 4.42Å; Y714-L754 HydrophobicContact CE2-CB 4.09Å; Y714-L754 HydrophobicContact CE2-CD2 4.07Å; Y714-L754 HydrophobicContact CG-CD2 4.29Å |
| 715 | F | 96.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71.9 | -35.7 | -178 | -77.8 | -72.1 | 0 | 0 | 0 | 113.6 | R711 E712 C713 N717 R718 T719 Y752 | R711-F715 HydrophobicContact CG-CD2 3.89Å; R711-F715 HydrophobicContact CG-CE2 3.73Å; R711-F715 VanDerWaalsContact O-CD2 3.25Å; R711-F715 WeakPolarHBondContact O-CD2 3.22Å; R711-F715 PolarHBondContact O-N 3.41Å; R711-F715 VanDerWaalsContact O-N 3.1Å; E712-F715 PolarHBondContact O-N 3.34Å; C713-F715 PolarHBondContact O-N 2.76Å; F715-N717 VanDerWaalsContact C-N 3.29Å; F715-R718 PolarHBondContact O-N 2.99Å; F715-T719 PolarHBondContact O-N 3.39Å; F715-T719 VanDerWaalsContact O-N 3.11Å; F715-T719 PolarHBondContact O-OG1 2.82Å; F715-Y752 HydrophobicContact CZ-CE1 4.11Å |
| 716 | V | 96.1 | Very high | 95.6 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 29% | 0.291 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 172.3 | 167.7 | 0 | 0 | 0 | 0 | 110.2 | E712 C713 N837 L844 | E712-V716 WeakPolarHBondContact O-CB 3.46Å; E712-V716 VanDerWaalsContact O-CG2 3.27Å; E712-V716 WeakPolarHBondContact O-CG2 3.44Å; E712-V716 PolarHBondContact O-N 2.8Å; C713-V716 PolarHBondContact O-N 2.87Å; V716-N837 HydrophobicContact CG2-CB 4.42Å; V716-L844 HydrophobicContact CG1-CD1 3.96Å |
| 717 | N | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -51.6 | 174.7 | -168.2 | 63.3 | 0 | 0 | 0 | 112.1 | C713 Y714 F715 T719 H720 P723 F724 L726 L844 | C713-N717 WeakPolarHBondContact O-CB 3.49Å; C713-N717 PolarHBondContact O-N 3.49Å; Y714-N717 PolarHBondContact O-N 3.42Å; F715-N717 VanDerWaalsContact C-N 3.29Å; N717-T719 VanDerWaalsContact C-N 3.28Å; N717-T719 PolarHBondContact O-N 2.87Å; N717-H720 VanDerWaalsContact O-CB 3.23Å; N717-H720 WeakPolarHBondContact O-CB 3.28Å; N717-H720 PolarHBondContact O-N 3.29Å; N717-P723 WeakPolarHBondContact O-CB 3.24Å; N717-F724 PolarHBondContact ND2-O 2.91Å; N717-F724 PolarHBondContact OD1-N 3.34Å; N717-L726 HydrophobicContact CB-CD1 3.5Å; N717-L726 VanDerWaalsContact CB-CD1 3.5Å; N717-L726 HydrophobicContact CB-CG 4.26Å; N717-L726 WeakPolarHBondContact ND2-CD1 3.18Å; N717-L726 WeakPolarHBondContact ND2-CG 3.29Å; N717-L844 HydrophobicContact CB-CD1 4.47Å; N717-L844 WeakPolarHBondContact OD1-CD2 3.39Å |
| 718 | R | 95.9 | Very high | 96 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53 | -42.7 | -177.6 | 175.1 | 171.7 | -173.1 | -113.4 | 11.3 | 113.4 | N671 D674 E675 L678 Y714 F715 H720 | N671-R718 PolarHBondContact OD1-NH1 3.46Å; N671-R718 PolarHBondContact OD1-NH2 3.39Å; D674-R718 HydrophobicContact CB-CG 3.79Å; E675-R718 IonicContact OE1-NH2 3.57Å; E675-R718 PolarHBondContact OE1-NH2 3.16Å; E675-R718 VanDerWaalsContact OE1-NH2 3.15Å; L678-R718 HydrophobicContact CD1-CB 3.94Å; L678-R718 HydrophobicContact CD1-CG 3.76Å; L678-R718 HydrophobicContact CG-CG 4.44Å; Y714-R718 HydrophobicContact CE1-CB 4.22Å; Y714-R718 VanDerWaalsContact O-CB 3.27Å; Y714-R718 WeakPolarHBondContact O-CB 3.38Å; Y714-R718 PolarHBondContact O-N 3.41Å; F715-R718 PolarHBondContact O-N 2.99Å; R718-H720 VanDerWaalsContact C-N 3.3Å |
| 719 | T | 94.2 | Very high | 96.2 | Very high | 81 Ų | 81 | 32.7 Ų | 32.7 | 50% | 0.497 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -3.1 | -176 | 56.7 | 0 | 0 | 0 | 0 | 113 | F715 N717 | F715-T719 PolarHBondContact O-N 3.39Å; F715-T719 VanDerWaalsContact O-N 3.11Å; F715-T719 PolarHBondContact O-OG1 2.82Å; N717-T719 VanDerWaalsContact C-N 3.28Å; N717-T719 PolarHBondContact O-N 2.87Å |
| 720 | H | 96.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -75.7 | 152.4 | 177.1 | -159.7 | -105.6 | 0 | 0 | 0 | 111.5 | N717 R718 V722 L844 D845 Q848 | N717-H720 VanDerWaalsContact O-CB 3.23Å; N717-H720 WeakPolarHBondContact O-CB 3.28Å; N717-H720 PolarHBondContact O-N 3.29Å; R718-H720 VanDerWaalsContact C-N 3.3Å; H720-V722 VanDerWaalsContact C-N 3.33Å; H720-V722 PolarHBondContact ND1-N 2.96Å; H720-V722 VanDerWaalsContact ND1-N 3.18Å; H720-V722 PolarHBondContact ND1-O 2.88Å; H720-L844 HydrophobicContact CB-CD1 4.06Å; H720-L844 HydrophobicContact CB-CD2 4.19Å; H720-L844 PolarHBondContact CE1-O 3.33Å; H720-L844 VanDerWaalsContact CE1-O 3.22Å; H720-D845 IonicContact NE2-OD1 2.71Å; H720-Q848 PolarHBondContact CE1-OE1 3.43Å; H720-Q848 PolarHBondContact NE2-OE1 3.41Å |
| 721 | L | 93.4 | Very high | 96.2 | Very high | 103 Ų | 103 | 32.6 Ų | 32.6 | 54% | 0.539 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -72 | -32.4 | 179.2 | -65.7 | 176.7 | 0 | 0 | 0 | 112.2 | P723 | L721-P723 WeakPolarHBondContact O-CD 3.29Š|
| 722 | V | 93 | Very high | 96.1 | Very high | 68 Ų | 68 | 29 Ų | 29 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -124.6 | 76.7 | 179.3 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | H720 L844 V847 Q848 | H720-V722 VanDerWaalsContact C-N 3.33Å; H720-V722 PolarHBondContact ND1-N 2.96Å; H720-V722 VanDerWaalsContact ND1-N 3.18Å; H720-V722 PolarHBondContact ND1-O 2.88Å; V722-L844 WeakPolarHBondContact O-CD2 3.4Å; V722-V847 HydrophobicContact CG1-CG1 4.25Å; V722-Q848 HydrophobicContact CG2-CB 4.39Å; V722-Q848 HydrophobicContact CG2-CG 4.43Å |
| 723 | P | 97.3 | Very high | 95.9 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 8% | 0.078 | 16% | 0.155 | C | C | . | . | trans | -68.5 | 150.6 | 178.9 | 26.3 | -31.8 | 0 | 0 | 0 | 111.4 | R677 L678 A681 N717 L721 | R677-P723 HydrophobicContact CB-CG 4.08Å; L678-P723 HydrophobicContact CD2-CB 3.93Å; L678-P723 HydrophobicContact CD2-CG 4.27Å; A681-P723 HydrophobicContact CB-CB 4.28Å; A681-P723 HydrophobicContact CB-CG 3.83Å; N717-P723 WeakPolarHBondContact O-CB 3.24Å; L721-P723 WeakPolarHBondContact O-CD 3.29Å | ||
| 724 | F | 97.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -77.1 | 156.7 | 163.3 | -68.7 | -72.1 | 0 | 0 | 0 | 110.6 | Q686 L688 N717 L726 L843 L844 V847 | Q686-F724 HydrophobicContact CB-CD1 3.9Å; Q686-F724 HydrophobicContact CB-CE1 4.11Å; Q686-F724 HydrophobicContact CG-CD1 4.17Å; Q686-F724 HydrophobicContact CG-CE1 4.14Å; Q686-F724 WeakPolarHBondContact O-CA 3.3Å; Q686-F724 WeakPolarHBondContact O-CB 3.45Å; Q686-F724 WeakPolarHBondContact O-CD1 3.48Å; L688-F724 HydrophobicContact CB-CB 3.6Å; L688-F724 HydrophobicContact CB-CD1 4.13Å; L688-F724 HydrophobicContact CB-CD2 4.21Å; L688-F724 HydrophobicContact CB-CG 3.73Å; L688-F724 HydrophobicContact CD2-CB 4.23Å; L688-F724 HydrophobicContact CD2-CD2 3.57Å; L688-F724 HydrophobicContact CD2-CE2 4.12Å; L688-F724 HydrophobicContact CD2-CG 3.99Å; L688-F724 HydrophobicContact CG-CD2 4.45Å; L688-F724 HydrophobicContact CG-CG 4.45Å; N717-F724 PolarHBondContact ND2-O 2.91Å; N717-F724 PolarHBondContact OD1-N 3.34Å; F724-L726 PolarHBondContact O-N 3.05Å; F724-L843 HydrophobicContact CE2-CB 3.78Å; F724-L843 HydrophobicContact CZ-CB 3.98Å; F724-L844 HydrophobicContact CD2-CD2 3.39Å; F724-L844 HydrophobicContact CD2-CG 3.88Å; F724-L844 HydrophobicContact CE2-CD2 3.62Å; F724-L844 HydrophobicContact CE2-CG 3.81Å; F724-L844 HydrophobicContact CG-CD2 4.31Å; F724-V847 HydrophobicContact CE1-CG2 4.27Å; F724-V847 HydrophobicContact CZ-CG2 3.84Å | ||
| 725 | D | 97 | Very high | 95.1 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 10% | 0.102 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 108.3 | 160.4 | -172.8 | 13.8 | 0 | 0 | 0 | 108.5 | Q686 P687 L688 H727 | Q686-D725 PolarHBondContact O-N 2.79Å; P687-D725 CarbonylContact C-O 2.96Å; P687-D725 WeakPolarHBondContact CA-O 3.48Å; L688-D725 PolarHBondContact N-O 3.3Å; D725-H727 PolarHBondContact O-CD2 3.17Å; D725-H727 IonicContact OD1-NE2 3.96Å; D725-H727 IonicContact OD2-CE1 3.86Å; D725-H727 IonicContact OD2-NE2 2.83Å; D725-H727 PolarHBondContact OD2-NE2 3.43Å; D725-H727 VanDerWaalsContact OD2-NE2 3.08Å |
| 726 | L | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.7 | -173.5 | -82.7 | 176.5 | 0 | 0 | 0 | 111.3 | L688 N717 F724 L754 Q755 I840 | L688-L726 HydrophobicContact CB-CD2 4.23Å; L688-L726 HydrophobicContact CD2-CD2 3.92Å; L688-L726 HydrophobicContact CG-CD2 4.21Å; N717-L726 HydrophobicContact CB-CD1 3.5Å; N717-L726 VanDerWaalsContact CB-CD1 3.5Å; N717-L726 HydrophobicContact CB-CG 4.26Å; N717-L726 WeakPolarHBondContact ND2-CD1 3.18Å; N717-L726 WeakPolarHBondContact ND2-CG 3.29Å; F724-L726 PolarHBondContact O-N 3.05Å; L726-L754 HydrophobicContact CB-CB 4.49Å; L726-Q755 PolarHBondContact O-N 3.41Å; L726-I840 HydrophobicContact CD2-CD1 4.36Å |
| 727 | H | 98 | Very high | 93.8 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.8 | 176.1 | -68.3 | -104 | 0 | 0 | 0 | 111.8 | L688 V689 L690 D725 T729 Q755 H757 F765 | L688-H727 PolarHBondContact O-N 3.08Å; V689-H727 CarbonylContact C-O 3.54Å; V689-H727 WeakPolarHBondContact CA-O 3.5Å; V689-H727 HydrophobicContact CG2-CB 4.2Å; L690-H727 PolarHBondContact N-O 3.48Å; D725-H727 PolarHBondContact O-CD2 3.17Å; D725-H727 IonicContact OD1-NE2 3.96Å; D725-H727 IonicContact OD2-CE1 3.86Å; D725-H727 IonicContact OD2-NE2 2.83Å; D725-H727 PolarHBondContact OD2-NE2 3.43Å; D725-H727 VanDerWaalsContact OD2-NE2 3.08Å; H727-T729 HydrophobicContact CB-CG2 4.27Å; H727-Q755 CarbonylContact C-O 3.58Å; H727-Q755 VanDerWaalsContact CA-O 3.29Å; H727-Q755 WeakPolarHBondContact CA-O 3.42Å; H727-H757 AromaticContact CE1-NE2 3.89Å; H727-H757 AromaticContact ND1-CD2 3.74Å; H727-H757 AromaticContact ND1-NE2 3.09Å; H727-H757 PolarHBondContact ND1-NE2 2.89Å; H727-F765 HydrophobicContact CB-CE2 4.44Å; H727-F765 HydrophobicContact CB-CZ 4.44Å; H727-F765 AromaticContact CD2-CZ 3.89Å; H727-F765 AromaticContact CE1-CZ 3.71Å; H727-F765 AromaticContact CG-CZ 3.77Å; H727-F765 AromaticContact ND1-CZ 3.64Å; H727-F765 AromaticContact NE2-CZ 3.81Å |
| 728 | F | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.6 | 167.2 | -67.6 | 9 | 0 | 0 | 0 | 108.1 | L690 M692 L710 C731 F745 L749 L754 Q755 W756 H757 | L690-F728 HydrophobicContact CB-CD1 3.91Å; L690-F728 HydrophobicContact CB-CE1 4.23Å; L690-F728 HydrophobicContact CD1-CD1 4.05Å; L690-F728 HydrophobicContact CD1-CE1 3.47Å; L690-F728 VanDerWaalsContact CD1-CE1 3.47Å; L690-F728 HydrophobicContact CD1-CZ 4.17Å; L690-F728 HydrophobicContact CG-CD1 4.23Å; L690-F728 HydrophobicContact CG-CE1 4.12Å; L690-F728 WeakPolarHBondContact O-CA 3.29Å; M692-F728 HydrophobicContact CG-CB 4.05Å; M692-F728 HydrophobicContact SD-CD2 4.45Å; M692-F728 HydrophobicContact SD-CG 4.5Å; L710-F728 HydrophobicContact CB-CE2 4.36Å; L710-F728 HydrophobicContact CB-CZ 4.28Å; L710-F728 HydrophobicContact CD2-CE1 4.38Å; L710-F728 HydrophobicContact CD2-CE2 4.32Å; L710-F728 HydrophobicContact CD2-CZ 4.06Å; F728-C731 PolarHBondContact O-SG 2.99Å; F728-F745 HydrophobicContact CE2-CZ 4.21Å; F728-F745 HydrophobicContact CZ-CZ 4.38Å; F728-L749 HydrophobicContact CD2-CD1 4.3Å; F728-L749 HydrophobicContact CD2-CD2 4.28Å; F728-L749 HydrophobicContact CE2-CD2 4.05Å; F728-L754 HydrophobicContact CD2-CD1 4.23Å; F728-L754 HydrophobicContact CE2-CD1 4.44Å; F728-L754 HydrophobicContact CE2-CD2 4.21Å; F728-L754 HydrophobicContact CG-CD1 4.34Å; F728-L754 HydrophobicContact CZ-CD2 4.13Å; F728-Q755 PolarHBondContact N-O 3.31Å; F728-W756 HydrophobicContact CB-CB 3.94Å; F728-W756 CarbonylContact O-C 3.55Å; F728-W756 VanDerWaalsContact O-CA 3.23Å; F728-W756 WeakPolarHBondContact O-CA 3.48Å; F728-H757 PolarHBondContact O-N 3.34Å |
| 729 | T | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.8 | -172.9 | 60.4 | 0 | 0 | 0 | 0 | 111.8 | V689 L690 M692 H727 C731 H757 F761 L764 | V689-T729 HydrophobicContact CG1-CG2 3.78Å; V689-T729 WeakPolarHBondContact CG1-OG1 3.47Å; L690-T729 PolarHBondContact O-N 3.34Å; M692-T729 WeakPolarHBondContact CA-O 3.32Å; M692-T729 WeakPolarHBondContact CB-O 3.35Å; M692-T729 PolarHBondContact N-O 2.81Å; H727-T729 HydrophobicContact CB-CG2 4.27Å; T729-C731 VanDerWaalsContact C-N 3.27Å; T729-H757 CarbonylContact C-O 3.52Å; T729-F761 HydrophobicContact CG2-CB 3.91Å; T729-L764 HydrophobicContact CG2-CD1 3.83Å |
| 730 | D | 96.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 60.2 | 40 | -171.6 | -156.3 | -16.3 | 0 | 0 | 0 | 111.2 | S693 R696 D732 H757 Q759 | S693-D730 WeakPolarHBondContact CB-OD2 3.42Å; R696-D730 IonicContact CZ-OD1 3.93Å; R696-D730 IonicContact NE-OD1 3.86Å; R696-D730 IonicContact NH2-OD1 3.1Å; R696-D730 PolarHBondContact NH2-OD1 2.99Å; R696-D730 VanDerWaalsContact NH2-OD1 3.1Å; D730-D732 PolarHBondContact O-N 3.26Å; D730-H757 PolarHBondContact N-O 3.44Å; D730-H757 VanDerWaalsContact N-O 3.13Å; D730-Q759 PolarHBondContact N-O 3.48Å |
| 731 | C | 95.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | trans | -72.3 | 121.9 | 173.3 | -66.2 | 0 | 0 | 0 | 0 | 109.5 | F728 T729 W738 W756 H757 E758 | F728-C731 PolarHBondContact O-SG 2.99Å; T729-C731 VanDerWaalsContact C-N 3.27Å; C731-W738 HydrophobicContact CB-CH2 3.7Å; C731-W738 HydrophobicContact CB-CZ3 3.82Å; C731-W756 HydrophobicContact CB-CE3 3.84Å; C731-W756 HydrophobicContact CB-CZ3 4.35Å; C731-H757 WeakPolarHBondContact CB-O 3.21Å; C731-H757 PolarHBondContact N-O 3.36Å; C731-E758 WeakPolarHBondContact O-CA 3.31Å | ||
| 732 | D | 93.2 | Very high | 91.9 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 20% | 0.202 | C | C | . | . | trans | -117.2 | 104.6 | 178.8 | -176 | -3.5 | 0 | 0 | 0 | 110.7 | R696 D730 S734 L735 | R696-D732 IonicContact CZ-OD2 3.2Å; R696-D732 IonicContact NH1-OD2 2.61Å; R696-D732 PolarHBondContact NH1-OD2 3.45Å; R696-D732 IonicContact NH2-OD2 3.34Å; R696-D732 PolarHBondContact NH2-OD2 3.48Å; D730-D732 PolarHBondContact O-N 3.26Å; D732-S734 PolarHBondContact O-N 3.26Å; D732-S734 WeakPolarHBondContact OD1-CA 3.49Å; D732-S734 VanDerWaalsContact OD1-CB 3.24Å; D732-S734 WeakPolarHBondContact OD1-CB 3.37Å; D732-S734 PolarHBondContact OD1-N 3.28Å; D732-S734 PolarHBondContact OD1-OG 3.15Å; D732-S734 PolarHBondContact OD2-OG 3.47Å; D732-L735 HydrophobicContact CB-CD1 4.02Å; D732-L735 HydrophobicContact CB-CG 3.96Å; D732-L735 WeakPolarHBondContact O-CB 3.49Å; D732-L735 PolarHBondContact O-N 2.64Å | ||
| 733 | Q | 91.1 | Very high | 91.6 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.8 | -179.9 | -54.4 | -172.5 | 53.6 | 0 | 0 | 113 | L735 W738 W756 E758 | Q733-L735 PolarHBondContact O-N 3.04Å; Q733-W738 HydrophobicContact CB-CD2 4.4Å; Q733-W738 HydrophobicContact CB-CG 4.33Å; Q733-W738 HydrophobicContact CG-CD2 4.29Å; Q733-W738 HydrophobicContact CG-CZ2 3.9Å; Q733-W756 HydrophobicContact CG-CZ3 4.35Å; Q733-E758 PolarHBondContact NE2-OE1 2.85Å |
| 734 | S | 90 | Very high | 91.3 | Very high | 99 Ų | 99 | 42.8 Ų | 42.8 | 69% | 0.692 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.9 | 178.3 | 76.6 | 0 | 0 | 0 | 0 | 113.2 | D732 R736 | D732-S734 PolarHBondContact O-N 3.26Å; D732-S734 WeakPolarHBondContact OD1-CA 3.49Å; D732-S734 VanDerWaalsContact OD1-CB 3.24Å; D732-S734 WeakPolarHBondContact OD1-CB 3.37Å; D732-S734 PolarHBondContact OD1-N 3.28Å; D732-S734 PolarHBondContact OD1-OG 3.15Å; D732-S734 PolarHBondContact OD2-OG 3.47Å; S734-R736 PolarHBondContact O-N 3.29Å |
| 735 | L | 87.5 | Confident | 91 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -64.1 | 130.8 | 176.5 | -67.6 | 176 | 0 | 0 | 0 | 110.6 | M695 R696 D732 Q733 T737 W738 | M695-L735 HydrophobicContact CB-CD1 4.1Å; R696-L735 HydrophobicContact CB-CD2 4.5Å; R696-L735 HydrophobicContact CG-CD1 4.18Å; R696-L735 HydrophobicContact CG-CD2 4.16Å; D732-L735 HydrophobicContact CB-CD1 4.02Å; D732-L735 HydrophobicContact CB-CG 3.96Å; D732-L735 WeakPolarHBondContact O-CB 3.49Å; D732-L735 PolarHBondContact O-N 2.64Å; Q733-L735 PolarHBondContact O-N 3.04Å; L735-T737 PolarHBondContact O-N 3.07Å; L735-W738 WeakPolarHBondContact O-CB 3.47Å; L735-W738 PolarHBondContact O-N 3.43Å |
| 736 | R | 80.7 | Confident | 90.4 | Very high | 191 Ų | 191 | 45.5 Ų | 45.5 | 72% | 0.721 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -53.9 | -30.4 | 175 | -69.6 | -172.7 | 179.4 | -152.7 | 0.3 | 112.8 | S734 W738 S739 | S734-R736 PolarHBondContact O-N 3.29Å; R736-W738 VanDerWaalsContact C-N 3.33Å; R736-S739 PolarHBondContact O-OG 2.9Å |
| 737 | T | 84 | Confident | 89.7 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -83.8 | -2.2 | 178.4 | 52.6 | 0 | 0 | 0 | 0 | 114 | T703 W707 L735 S739 D740 | T703-T737 VanDerWaalsContact CG2-CB 3.49Å; T703-T737 HydrophobicContact CG2-CG2 3.87Å; W707-T737 PolarHBondContact NE1-O 3.23Å; L735-T737 PolarHBondContact O-N 3.07Å; T737-S739 PolarHBondContact O-N 3.37Å; T737-D740 VanDerWaalsContact O-CB 3.29Å; T737-D740 WeakPolarHBondContact O-CB 3.49Å; T737-D740 PolarHBondContact O-N 3.18Å; T737-D740 VanDerWaalsContact O-N 3.1Å |
| 738 | W | 87.9 | Confident | 89.2 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -61.3 | -33 | 173.7 | -175 | -107.8 | 0 | 0 | 0 | 111.8 | W707 C731 Q733 L735 R736 D740 S741 L749 W756 | W707-W738 HydrophobicContact CH2-CE3 4.2Å; W707-W738 AromaticContact CH2-CZ3 3.95Å; W707-W738 HydrophobicContact CH2-CZ3 3.95Å; W707-W738 AromaticContact CZ2-CE3 3.98Å; W707-W738 HydrophobicContact CZ2-CE3 3.98Å; W707-W738 HydrophobicContact CZ2-CZ3 4.17Å; C731-W738 HydrophobicContact CB-CH2 3.7Å; C731-W738 HydrophobicContact CB-CZ3 3.82Å; Q733-W738 HydrophobicContact CB-CD2 4.4Å; Q733-W738 HydrophobicContact CB-CG 4.33Å; Q733-W738 HydrophobicContact CG-CD2 4.29Å; Q733-W738 HydrophobicContact CG-CZ2 3.9Å; L735-W738 WeakPolarHBondContact O-CB 3.47Å; L735-W738 PolarHBondContact O-N 3.43Å; R736-W738 VanDerWaalsContact C-N 3.33Å; W738-D740 PolarHBondContact O-N 3.1Å; W738-D740 VanDerWaalsContact O-N 3.09Å; W738-S741 WeakPolarHBondContact O-CB 3.5Å; W738-S741 PolarHBondContact O-N 3.21Å; W738-S741 PolarHBondContact O-OG 2.93Å; W738-L749 HydrophobicContact CH2-CD1 3.67Å; W738-L749 HydrophobicContact CZ2-CD1 4.05Å; W738-W756 HydrophobicContact CH2-CE3 4.2Å; W738-W756 HydrophobicContact CH2-CZ3 4.37Å; W738-W756 HydrophobicContact CZ2-CE3 4.4Å; W738-W756 HydrophobicContact CZ2-CZ3 4.23Å |
| 739 | S | 86.2 | Confident | 89 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.9 | -18.4 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | R736 T737 S741 E742 | R736-S739 PolarHBondContact O-OG 2.9Å; T737-S739 PolarHBondContact O-N 3.37Å; S739-S741 PolarHBondContact O-N 3.29Å; S739-E742 PolarHBondContact O-N 2.86Å |
| 740 | D | 86.2 | Confident | 88.6 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.059 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.9 | -25.9 | 171.5 | -67.4 | -31.3 | 0 | 0 | 0 | 111.3 | R597 W707 T737 W738 E742 R743 Y744 | R597-D740 IonicContact CZ-OD2 3.16Å; R597-D740 VanDerWaalsContact CZ-OD2 3.27Å; R597-D740 VanDerWaalsContact NH1-CG 3.28Å; R597-D740 IonicContact NH1-OD1 3.05Å; R597-D740 PolarHBondContact NH1-OD1 2.83Å; R597-D740 IonicContact NH1-OD2 3.94Å; R597-D740 PolarHBondContact NH1-OD2 3.01Å; R597-D740 IonicContact NH2-OD2 2.6Å; R597-D740 PolarHBondContact NH2-OD2 3.1Å; W707-D740 HydrophobicContact CG-CB 3.99Å; T737-D740 VanDerWaalsContact O-CB 3.29Å; T737-D740 WeakPolarHBondContact O-CB 3.49Å; T737-D740 PolarHBondContact O-N 3.18Å; T737-D740 VanDerWaalsContact O-N 3.1Å; W738-D740 PolarHBondContact O-N 3.1Å; W738-D740 VanDerWaalsContact O-N 3.09Å; D740-E742 VanDerWaalsContact C-N 3.34Å; D740-E742 PolarHBondContact O-N 3.45Å; D740-R743 WeakPolarHBondContact O-CB 3.21Å; D740-R743 PolarHBondContact O-N 2.75Å; D740-R743 VanDerWaalsContact O-N 3.15Å; D740-Y744 HydrophobicContact CB-CD2 4.38Å; D740-Y744 VanDerWaalsContact O-CD2 3.29Å; D740-Y744 WeakPolarHBondContact O-CD2 3.3Å; D740-Y744 PolarHBondContact O-N 3.12Å |
| 741 | S | 88.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 174.9 | 73 | 0 | 0 | 0 | 0 | 110.8 | W738 S739 R743 Y744 F745 | W738-S741 WeakPolarHBondContact O-CB 3.5Å; W738-S741 PolarHBondContact O-N 3.21Å; W738-S741 PolarHBondContact O-OG 2.93Å; S739-S741 PolarHBondContact O-N 3.29Å; S741-R743 PolarHBondContact O-N 2.85Å; S741-Y744 PolarHBondContact O-N 3.38Å; S741-F745 WeakPolarHBondContact O-CA 3.44Å; S741-F745 VanDerWaalsContact O-CB 3.31Å; S741-F745 WeakPolarHBondContact O-CB 3.5Å; S741-F745 PolarHBondContact O-N 3.32Å |
| 742 | E | 86.5 | Confident | 88.1 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -31.6 | 178.1 | -60.8 | -176.4 | 164.4 | 0 | 0 | 112.8 | S739 D740 F745 C746 G747 | S739-E742 PolarHBondContact O-N 2.86Å; D740-E742 VanDerWaalsContact C-N 3.34Å; D740-E742 PolarHBondContact O-N 3.45Å; E742-F745 CarbonylContact C-O 3.57Å; E742-F745 CarbonylContact O-C 3.59Å; E742-F745 VanDerWaalsContact O-O 3.09Å; E742-C746 WeakPolarHBondContact O-CA 3.4Å; E742-G747 PolarHBondContact O-N 3.33Å |
| 743 | R | 87.4 | Confident | 88.1 | Confident | 130 Ų | 130 | 64 Ų | 64 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.7 | -46.5 | 177.6 | -178 | -167.5 | 179.5 | 178.3 | 10 | 111.5 | D704 D740 S741 | D704-R743 IonicContact OD1-NH1 2.77Å; D704-R743 PolarHBondContact OD1-NH1 2.83Å; D740-R743 WeakPolarHBondContact O-CB 3.21Å; D740-R743 PolarHBondContact O-N 2.75Å; D740-R743 VanDerWaalsContact O-N 3.15Å; S741-R743 PolarHBondContact O-N 2.85Å |
| 744 | Y | 90.9 | Very high | 88.2 | Confident | 22 Ų | 22 | 60 Ų | 60 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -81.2 | -31.1 | -177.4 | -77.3 | -78.8 | 0 | 0 | 0 | 112.4 | K617 D704 W707 R711 D740 S741 | K617-Y744 PolarHBondContact NZ-OH 3.33Å; D704-Y744 PolarHBondContact O-OH 2.71Å; D704-Y744 VanDerWaalsContact OD1-CE2 3.26Å; D704-Y744 WeakPolarHBondContact OD1-CE2 3.38Å; D704-Y744 PolarHBondContact OD1-OH 3.47Å; D704-Y744 PolarHBondContact OD2-OH 3.17Å; W707-Y744 HydrophobicContact CB-CD2 3.39Å; W707-Y744 HydrophobicContact CB-CE2 3.75Å; W707-Y744 HydrophobicContact CB-CG 3.99Å; W707-Y744 HydrophobicContact CG-CD2 4.26Å; R711-Y744 WeakPolarHBondContact CD-O 3.5Å; R711-Y744 PolarHBondContact NE-O 2.97Å; R711-Y744 VanDerWaalsContact NE-O 3.14Å; D740-Y744 HydrophobicContact CB-CD2 4.38Å; D740-Y744 VanDerWaalsContact O-CD2 3.29Å; D740-Y744 WeakPolarHBondContact O-CD2 3.3Å; D740-Y744 PolarHBondContact O-N 3.12Å; S741-Y744 PolarHBondContact O-N 3.38Å |
| 745 | F | 91.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 86.1 | 174.4 | -65.9 | -92 | 0 | 0 | 0 | 108.2 | W707 R711 Y714 F728 S741 E742 G747 G748 L749 Y752 L754 | W707-F745 HydrophobicContact CE3-CD2 4.44Å; W707-F745 HydrophobicContact CE3-CE2 4.12Å; W707-F745 HydrophobicContact CZ3-CD2 4.46Å; W707-F745 HydrophobicContact CZ3-CE2 4.21Å; R711-F745 HydrophobicContact CB-CE2 4.22Å; R711-F745 HydrophobicContact CB-CZ 4.14Å; Y714-F745 HydrophobicContact CD1-CE1 4.47Å; Y714-F745 HydrophobicContact CG-CE1 4.17Å; F728-F745 HydrophobicContact CE2-CZ 4.21Å; F728-F745 HydrophobicContact CZ-CZ 4.38Å; S741-F745 WeakPolarHBondContact O-CA 3.44Å; S741-F745 VanDerWaalsContact O-CB 3.31Å; S741-F745 WeakPolarHBondContact O-CB 3.5Å; S741-F745 PolarHBondContact O-N 3.32Å; E742-F745 CarbonylContact C-O 3.57Å; E742-F745 CarbonylContact O-C 3.59Å; E742-F745 VanDerWaalsContact O-O 3.09Å; F745-G747 PolarHBondContact O-N 3.18Å; F745-G748 PolarHBondContact O-N 2.85Å; F745-L749 HydrophobicContact CB-CD2 4.32Å; F745-L749 HydrophobicContact CD1-CD2 4.03Å; F745-L749 HydrophobicContact CD2-CD2 3.64Å; F745-L749 HydrophobicContact CE1-CD2 4.2Å; F745-L749 HydrophobicContact CE2-CD2 3.84Å; F745-L749 HydrophobicContact CG-CD2 3.74Å; F745-L749 HydrophobicContact CZ-CD2 4.1Å; F745-Y752 HydrophobicContact CB-CD2 3.9Å; F745-Y752 HydrophobicContact CB-CE2 3.55Å; F745-Y752 AromaticContact CD1-CD1 3.95Å; F745-Y752 HydrophobicContact CD1-CD1 3.95Å; F745-Y752 AromaticContact CD1-CD2 3.74Å; F745-Y752 HydrophobicContact CD1-CD2 3.74Å; F745-Y752 HydrophobicContact CD1-CE1 4.03Å; F745-Y752 AromaticContact CD1-CE2 3.87Å; F745-Y752 HydrophobicContact CD1-CE2 3.87Å; F745-Y752 AromaticContact CD1-CG 3.79Å; F745-Y752 HydrophobicContact CD1-CG 3.79Å; F745-Y752 AromaticContact CD1-CZ 4Å; F745-Y752 HydrophobicContact CE1-CD1 4.48Å; F745-Y752 HydrophobicContact CE1-CG 4.5Å; F745-Y752 HydrophobicContact CG-CD2 4.32Å; F745-Y752 HydrophobicContact CG-CE2 4.23Å; F745-L754 HydrophobicContact CE1-CD2 4.03Å |
| 746 | C | 83.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 55% | 0.554 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49 | 102.4 | -170.2 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | E742 Y752 | E742-C746 WeakPolarHBondContact O-CA 3.4Å; C746-Y752 PolarHBondContact N-OH 3.14Å |
| 747 | G | 83.6 | Confident | 89.5 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 45% | 0.454 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | 19.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | E742 F745 K751 | E742-G747 PolarHBondContact O-N 3.33Å; F745-G747 PolarHBondContact O-N 3.18Å; G747-K751 WeakPolarHBondContact O-CE 3.24Å |
| 748 | G | 88.1 | Confident | 90.1 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | trans | 98.6 | 165.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F745 D750 Y752 | F745-G748 PolarHBondContact O-N 2.85Å; G748-D750 VanDerWaalsContact C-N 3.27Å; G748-D750 PolarHBondContact O-N 3.34Å; G748-Y752 WeakPolarHBondContact O-CD2 3.43Å | ||
| 749 | L | 91.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -64.8 | -30.7 | 178.3 | -68.7 | 172.4 | 0 | 0 | 0 | 112.3 | W707 F728 W738 F745 K751 Y752 L754 W756 | W707-L749 HydrophobicContact CH2-CD1 4.46Å; W707-L749 HydrophobicContact CZ3-CD2 4.47Å; F728-L749 HydrophobicContact CD2-CD1 4.3Å; F728-L749 HydrophobicContact CD2-CD2 4.28Å; F728-L749 HydrophobicContact CE2-CD2 4.05Å; W738-L749 HydrophobicContact CH2-CD1 3.67Å; W738-L749 HydrophobicContact CZ2-CD1 4.05Å; F745-L749 HydrophobicContact CB-CD2 4.32Å; F745-L749 HydrophobicContact CD1-CD2 4.03Å; F745-L749 HydrophobicContact CD2-CD2 3.64Å; F745-L749 HydrophobicContact CE1-CD2 4.2Å; F745-L749 HydrophobicContact CE2-CD2 3.84Å; F745-L749 HydrophobicContact CG-CD2 3.74Å; F745-L749 HydrophobicContact CZ-CD2 4.1Å; L749-K751 PolarHBondContact O-N 3.01Å; L749-K751 VanDerWaalsContact O-N 3.07Å; L749-Y752 PolarHBondContact O-N 3.31Å; L749-L754 HydrophobicContact CD2-CD1 4.42Å; L749-L754 HydrophobicContact CD2-CD2 4.23Å; L749-W756 HydrophobicContact CB-CG 4.22Å; L749-W756 HydrophobicContact CD1-CB 4.24Å; L749-W756 HydrophobicContact CD1-CD2 4.35Å; L749-W756 HydrophobicContact CD1-CG 4.03Å |
| 750 | D | 90.2 | Very high | 91.1 | Very high | 127 Ų | 127 | 63.2 Ų | 63.2 | 68% | 0.679 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -61.5 | -19.8 | -177.8 | -58.6 | -40.2 | 0 | 0 | 0 | 114.4 | G748 Y752 W756 | G748-D750 VanDerWaalsContact C-N 3.27Å; G748-D750 PolarHBondContact O-N 3.34Å; D750-Y752 VanDerWaalsContact C-N 3.27Å; D750-W756 WeakPolarHBondContact OD1-CZ2 3.36Å; D750-W756 PolarHBondContact OD1-NE1 3.47Å |
| 751 | K | 89.4 | Confident | 91.6 | Very high | 152 Ų | 152 | 62.7 Ų | 62.7 | 66% | 0.661 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -80.3 | -9.2 | 176.3 | -68 | -172 | -178.5 | -178.7 | 0 | 113.6 | G747 L749 | G747-K751 WeakPolarHBondContact O-CE 3.24Å; L749-K751 PolarHBondContact O-N 3.01Å; L749-K751 VanDerWaalsContact O-N 3.07Å |
| 752 | Y | 92.4 | Very high | 91.9 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -110.9 | 140.7 | -174.7 | -68.6 | -99.2 | 0 | 0 | 0 | 109.5 | Y714 F715 F745 C746 G748 L749 D750 L754 | Y714-Y752 AromaticContact CD1-CD1 3.96Å; Y714-Y752 HydrophobicContact CD1-CD1 3.96Å; Y714-Y752 HydrophobicContact CD1-CE1 4.48Å; Y714-Y752 AromaticContact CE1-CD1 3.43Å; Y714-Y752 HydrophobicContact CE1-CD1 3.43Å; Y714-Y752 VanDerWaalsContact CE1-CD1 3.43Å; Y714-Y752 HydrophobicContact CE1-CE1 4.13Å; Y714-Y752 HydrophobicContact CE1-CG 4.42Å; Y714-Y752 AromaticContact CZ-CD1 3.75Å; F715-Y752 HydrophobicContact CZ-CE1 4.11Å; F745-Y752 HydrophobicContact CB-CD2 3.9Å; F745-Y752 HydrophobicContact CB-CE2 3.55Å; F745-Y752 AromaticContact CD1-CD1 3.95Å; F745-Y752 HydrophobicContact CD1-CD1 3.95Å; F745-Y752 AromaticContact CD1-CD2 3.74Å; F745-Y752 HydrophobicContact CD1-CD2 3.74Å; F745-Y752 HydrophobicContact CD1-CE1 4.03Å; F745-Y752 AromaticContact CD1-CE2 3.87Å; F745-Y752 HydrophobicContact CD1-CE2 3.87Å; F745-Y752 AromaticContact CD1-CG 3.79Å; F745-Y752 HydrophobicContact CD1-CG 3.79Å; F745-Y752 AromaticContact CD1-CZ 4Å; F745-Y752 HydrophobicContact CE1-CD1 4.48Å; F745-Y752 HydrophobicContact CE1-CG 4.5Å; F745-Y752 HydrophobicContact CG-CD2 4.32Å; F745-Y752 HydrophobicContact CG-CE2 4.23Å; C746-Y752 PolarHBondContact N-OH 3.14Å; G748-Y752 WeakPolarHBondContact O-CD2 3.43Å; L749-Y752 PolarHBondContact O-N 3.31Å; D750-Y752 VanDerWaalsContact C-N 3.27Å; Y752-L754 PolarHBondContact O-N 3.26Å |
| 753 | M | 91.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 64 Ų | 64 | 37% | 0.369 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.1 | 69.1 | 176.1 | -69.6 | -174.6 | 174.2 | 0 | 0 | 111.2 | E675 L678 Y714 | E675-M753 HydrophobicContact CB-CE 4.02Å; E675-M753 HydrophobicContact CB-SD 3.88Å; E675-M753 HydrophobicContact CG-CE 4.28Å; E675-M753 HydrophobicContact CG-SD 4.08Å; E675-M753 VanDerWaalsContact O-SD 3.38Å; L678-M753 HydrophobicContact CB-CB 4Å; L678-M753 HydrophobicContact CB-SD 4.11Å; L678-M753 HydrophobicContact CD1-CB 3.88Å; Y714-M753 PolarHBondContact OH-N 3.03Å |
| 754 | L | 92.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | trans | -137.7 | 157 | 170.3 | 67.7 | 86.4 | 0 | 0 | 0 | 108.5 | Y714 L726 F728 F745 L749 Y752 W756 | Y714-L754 HydrophobicContact CD2-CB 4.07Å; Y714-L754 HydrophobicContact CD2-CD2 3.6Å; Y714-L754 HydrophobicContact CD2-CG 4.42Å; Y714-L754 HydrophobicContact CE2-CB 4.09Å; Y714-L754 HydrophobicContact CE2-CD2 4.07Å; Y714-L754 HydrophobicContact CG-CD2 4.29Å; L726-L754 HydrophobicContact CB-CB 4.49Å; F728-L754 HydrophobicContact CD2-CD1 4.23Å; F728-L754 HydrophobicContact CE2-CD1 4.44Å; F728-L754 HydrophobicContact CE2-CD2 4.21Å; F728-L754 HydrophobicContact CG-CD1 4.34Å; F728-L754 HydrophobicContact CZ-CD2 4.13Å; F745-L754 HydrophobicContact CE1-CD2 4.03Å; L749-L754 HydrophobicContact CD2-CD1 4.42Å; L749-L754 HydrophobicContact CD2-CD2 4.23Å; Y752-L754 PolarHBondContact O-N 3.26Å; L754-W756 HydrophobicContact CD1-CB 4.04Å | ||
| 755 | Q | 93.9 | Very high | 93 | Very high | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 134.9 | 176.5 | -63.9 | -66.9 | -35 | 0 | 0 | 109.1 | L726 H727 F728 H757 | L726-Q755 PolarHBondContact O-N 3.41Å; H727-Q755 CarbonylContact C-O 3.58Å; H727-Q755 VanDerWaalsContact CA-O 3.29Å; H727-Q755 WeakPolarHBondContact CA-O 3.42Å; F728-Q755 PolarHBondContact N-O 3.31Å; Q755-H757 WeakPolarHBondContact CB-NE2 3.46Å |
| 756 | W | 95.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 63.5 Ų | 63.5 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143.4 | 172.9 | 69.5 | -86 | 0 | 0 | 0 | 110.6 | F728 C731 Q733 W738 L749 D750 L754 E758 | F728-W756 HydrophobicContact CB-CB 3.94Å; F728-W756 CarbonylContact O-C 3.55Å; F728-W756 VanDerWaalsContact O-CA 3.23Å; F728-W756 WeakPolarHBondContact O-CA 3.48Å; C731-W756 HydrophobicContact CB-CE3 3.84Å; C731-W756 HydrophobicContact CB-CZ3 4.35Å; Q733-W756 HydrophobicContact CG-CZ3 4.35Å; W738-W756 HydrophobicContact CH2-CE3 4.2Å; W738-W756 HydrophobicContact CH2-CZ3 4.37Å; W738-W756 HydrophobicContact CZ2-CE3 4.4Å; W738-W756 HydrophobicContact CZ2-CZ3 4.23Å; L749-W756 HydrophobicContact CB-CG 4.22Å; L749-W756 HydrophobicContact CD1-CB 4.24Å; L749-W756 HydrophobicContact CD1-CD2 4.35Å; L749-W756 HydrophobicContact CD1-CG 4.03Å; D750-W756 WeakPolarHBondContact OD1-CZ2 3.36Å; D750-W756 PolarHBondContact OD1-NE1 3.47Å; L754-W756 HydrophobicContact CD1-CB 4.04Å; W756-E758 HydrophobicContact CZ3-CG 4.47Å |
| 757 | H | 97.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 65 Ų | 65 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.7 | -165.7 | -54.6 | -88.8 | 0 | 0 | 0 | 110.3 | H727 F728 T729 D730 C731 Q755 Q759 L764 | H727-H757 AromaticContact CE1-NE2 3.89Å; H727-H757 AromaticContact ND1-CD2 3.74Å; H727-H757 AromaticContact ND1-NE2 3.09Å; H727-H757 PolarHBondContact ND1-NE2 2.89Å; F728-H757 PolarHBondContact O-N 3.34Å; T729-H757 CarbonylContact C-O 3.52Å; D730-H757 PolarHBondContact N-O 3.44Å; D730-H757 VanDerWaalsContact N-O 3.13Å; C731-H757 WeakPolarHBondContact CB-O 3.21Å; C731-H757 PolarHBondContact N-O 3.36Å; Q755-H757 WeakPolarHBondContact CB-NE2 3.46Å; H757-Q759 VanDerWaalsContact C-N 3.28Å; H757-L764 HydrophobicContact CB-CD1 3.59Å; H757-L764 VanDerWaalsContact CG-CD1 3.44Å |
| 758 | E | 96.4 | Very high | 94.2 | Very high | 117 Ų | 117 | 70 Ų | 70 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -73.3 | -28.3 | 168.1 | -59.7 | -172.3 | 166.7 | 0 | 0 | 110.8 | C731 Q733 W756 | C731-E758 WeakPolarHBondContact O-CA 3.31Å; Q733-E758 PolarHBondContact NE2-OE1 2.85Å; W756-E758 HydrophobicContact CZ3-CG 4.47Å |
| 759 | Q | 97.7 | Very high | 94.6 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -66.3 | 153.3 | 176.6 | -58.9 | 85.9 | -16.8 | 0 | 0 | 111.5 | D730 H757 L764 | D730-Q759 PolarHBondContact N-O 3.48Å; H757-Q759 VanDerWaalsContact C-N 3.28Å; Q759-L764 HydrophobicContact CB-CD1 4.2Å; Q759-L764 HydrophobicContact CB-CD2 3.91Å; Q759-L764 HydrophobicContact CB-CG 3.92Å; Q759-L764 HydrophobicContact CG-CD2 4.32Å |
| 760 | R | 96.6 | Very high | 94.9 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 45% | 0.445 | 34% | 0.337 | S | S | . | . | trans | -78.5 | 149.7 | 177.2 | -52.6 | -175.8 | -178.8 | 110 | -6.8 | 109.8 | Y762 D763 L764 | R760-Y762 HydrophobicContact CB-CD1 4.18Å; R760-Y762 HydrophobicContact CB-CD2 4.33Å; R760-Y762 HydrophobicContact CB-CE1 3.85Å; R760-Y762 HydrophobicContact CB-CE2 4.02Å; R760-Y762 HydrophobicContact CB-CG 4.46Å; R760-Y762 WeakPolarHBondContact CD-OH 3.12Å; R760-Y762 HydrophobicContact CG-CE1 4.49Å; R760-Y762 PolarHBondContact O-N 3.25Å; R760-Y762 VanDerWaalsContact O-N 3.14Å; R760-D763 WeakPolarHBondContact CB-OD2 3.38Å; R760-D763 WeakPolarHBondContact O-CB 3.32Å; R760-D763 PolarHBondContact O-N 3.27Å; R760-L764 PolarHBondContact O-N 3.28Å | ||
| 761 | F | 96.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -30.7 | -176.8 | 60.4 | -93.7 | 0 | 0 | 0 | 114.1 | V689 D691 T729 D763 L764 F765 L770 Y772 V791 L812 I814 | V689-F761 HydrophobicContact CG1-CB 3.67Å; V689-F761 HydrophobicContact CG1-CG 4.3Å; D691-F761 HydrophobicContact CB-CD1 4.06Å; D691-F761 HydrophobicContact CB-CE1 4.04Å; T729-F761 HydrophobicContact CG2-CB 3.91Å; F761-D763 VanDerWaalsContact C-N 3.29Å; F761-D763 PolarHBondContact O-N 2.87Å; F761-L764 PolarHBondContact O-N 3.27Å; F761-F765 WeakPolarHBondContact O-CD2 3.29Å; F761-F765 PolarHBondContact O-N 3.22Å; F761-L770 HydrophobicContact CD2-CD1 3.83Å; F761-L770 HydrophobicContact CD2-CD2 4.23Å; F761-L770 HydrophobicContact CE2-CD1 4.18Å; F761-Y772 HydrophobicContact CE1-CE2 4.1Å; F761-Y772 HydrophobicContact CE2-CD2 4.34Å; F761-Y772 AromaticContact CZ-CD2 3.91Å; F761-Y772 HydrophobicContact CZ-CD2 3.91Å; F761-Y772 AromaticContact CZ-CE2 3.73Å; F761-Y772 HydrophobicContact CZ-CE2 3.73Å; F761-V791 HydrophobicContact CD1-CG1 4.24Å; F761-V791 HydrophobicContact CD2-CG1 4.3Å; F761-V791 HydrophobicContact CD2-CG2 3.93Å; F761-V791 HydrophobicContact CE1-CG1 4.22Å; F761-V791 HydrophobicContact CE2-CG1 4.26Å; F761-V791 HydrophobicContact CE2-CG2 4.16Å; F761-V791 HydrophobicContact CG-CG1 4.29Å; F761-V791 HydrophobicContact CG-CG2 4.47Å; F761-V791 HydrophobicContact CZ-CG1 4.24Å; F761-L812 HydrophobicContact CE2-CD1 4.49Å; F761-L812 HydrophobicContact CZ-CD1 3.84Å; F761-I814 HydrophobicContact CE2-CD1 3.59Å; F761-I814 HydrophobicContact CZ-CD1 4.29Å |
| 762 | Y | 95.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 61 Ų | 61 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82.5 | -3.6 | 177.7 | 54.5 | -103.1 | 0 | 0 | 0 | 114.3 | R760 L812 | R760-Y762 HydrophobicContact CB-CD1 4.18Å; R760-Y762 HydrophobicContact CB-CD2 4.33Å; R760-Y762 HydrophobicContact CB-CE1 3.85Å; R760-Y762 HydrophobicContact CB-CE2 4.02Å; R760-Y762 HydrophobicContact CB-CG 4.46Å; R760-Y762 WeakPolarHBondContact CD-OH 3.12Å; R760-Y762 HydrophobicContact CG-CE1 4.49Å; R760-Y762 PolarHBondContact O-N 3.25Å; R760-Y762 VanDerWaalsContact O-N 3.14Å; Y762-L812 HydrophobicContact CD1-CD1 3.65Å; Y762-L812 HydrophobicContact CD1-CD2 4.05Å; Y762-L812 HydrophobicContact CD1-CG 4.44Å; Y762-L812 HydrophobicContact CE1-CD1 3.53Å; Y762-L812 HydrophobicContact CE1-CD2 3.57Å; Y762-L812 HydrophobicContact CE1-CG 4.2Å; Y762-L812 HydrophobicContact CE2-CD2 4.44Å |
| 763 | D | 96.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -95.2 | -23.7 | 168.9 | -58 | -34.1 | 0 | 0 | 0 | 110.6 | R760 F761 | R760-D763 WeakPolarHBondContact CB-OD2 3.38Å; R760-D763 WeakPolarHBondContact O-CB 3.32Å; R760-D763 PolarHBondContact O-N 3.27Å; F761-D763 VanDerWaalsContact C-N 3.29Å; F761-D763 PolarHBondContact O-N 2.87Å |
| 764 | L | 95.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -90.6 | -32.5 | 179.6 | -65.2 | 171.2 | 0 | 0 | 0 | 113.4 | T729 H757 Q759 R760 F761 | T729-L764 HydrophobicContact CG2-CD1 3.83Å; H757-L764 HydrophobicContact CB-CD1 3.59Å; H757-L764 VanDerWaalsContact CG-CD1 3.44Å; Q759-L764 HydrophobicContact CB-CD1 4.2Å; Q759-L764 HydrophobicContact CB-CD2 3.91Å; Q759-L764 HydrophobicContact CB-CG 3.92Å; Q759-L764 HydrophobicContact CG-CD2 4.32Å; R760-L764 PolarHBondContact O-N 3.28Å; F761-L764 PolarHBondContact O-N 3.27Å |
| 765 | F | 96.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 13% | 0.127 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -124.8 | 143.1 | -173.2 | -59.2 | -70 | 0 | 0 | 0 | 111.4 | P687 V689 H727 F761 R767 L770 I789 | P687-F765 HydrophobicContact CB-CE1 4.1Å; P687-F765 HydrophobicContact CB-CZ 4.26Å; P687-F765 HydrophobicContact CG-CE1 4.35Å; V689-F765 HydrophobicContact CG2-CD2 3.94Å; V689-F765 HydrophobicContact CG2-CE2 3.51Å; V689-F765 HydrophobicContact CG2-CZ 4.26Å; H727-F765 HydrophobicContact CB-CE2 4.44Å; H727-F765 HydrophobicContact CB-CZ 4.44Å; H727-F765 AromaticContact CD2-CZ 3.89Å; H727-F765 AromaticContact CE1-CZ 3.71Å; H727-F765 AromaticContact CG-CZ 3.77Å; H727-F765 AromaticContact ND1-CZ 3.64Å; H727-F765 AromaticContact NE2-CZ 3.81Å; F761-F765 WeakPolarHBondContact O-CD2 3.29Å; F761-F765 PolarHBondContact O-N 3.22Å; F765-R767 PolarHBondContact O-N 2.93Å; F765-L770 HydrophobicContact CB-CD2 3.95Å; F765-L770 HydrophobicContact CB-CG 4.37Å; F765-I789 HydrophobicContact CB-CD1 3.86Å; F765-I789 HydrophobicContact CD1-CD1 3.48Å; F765-I789 VanDerWaalsContact CD1-CD1 3.48Å; F765-I789 HydrophobicContact CD2-CG2 4.49Å; F765-I789 HydrophobicContact CE1-CD1 4.2Å; F765-I789 HydrophobicContact CG-CD1 3.82Å; F765-I789 HydrophobicContact CG-CG2 4.44Å |
| 766 | P | 95.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 57.6 Ų | 57.6 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | trans | -63.7 | 133.3 | 179.5 | 26.5 | -35.3 | 0 | 0 | 0 | 111.4 | E768 R769 | P766-E768 VanDerWaalsContact C-N 3.3Å; P766-E768 WeakPolarHBondContact CB-OE1 3.23Å; P766-E768 PolarHBondContact O-N 3.02Å; P766-R769 HydrophobicContact CG-CB 4.15Å; P766-R769 HydrophobicContact CG-CG 3.96Å; P766-R769 PolarHBondContact O-N 3.43Å | ||
| 767 | R | 93.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 55.1 Ų | 55.1 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -62.5 | -35.3 | -168.9 | -69.8 | -178 | 178.2 | -119.9 | 0.8 | 113.3 | F765 R769 L770 L812 | F765-R767 PolarHBondContact O-N 2.93Å; R767-R769 PolarHBondContact O-N 3.3Å; R767-L770 PolarHBondContact O-N 3.02Å; R767-L770 VanDerWaalsContact O-N 3.15Å; R767-L812 PolarHBondContact NH1-O 2.68Å |
| 768 | E | 94.8 | Very high | 94.9 | Very high | 147 Ų | 147 | 65 Ų | 65 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -66.2 | -19 | 178.3 | 60.8 | -86 | -165.5 | 0 | 0 | 114 | P766 | P766-E768 VanDerWaalsContact C-N 3.3Å; P766-E768 WeakPolarHBondContact CB-OE1 3.23Å; P766-E768 PolarHBondContact O-N 3.02Å |
| 769 | R | 97.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 65.8 Ų | 65.8 | 35% | 0.347 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -92.3 | -16.3 | 174.8 | -65.4 | -178.6 | 58.3 | -166.7 | 0.2 | 112.6 | P766 R767 D787 K788 I789 | P766-R769 HydrophobicContact CG-CB 4.15Å; P766-R769 HydrophobicContact CG-CG 3.96Å; P766-R769 PolarHBondContact O-N 3.43Å; R767-R769 PolarHBondContact O-N 3.3Å; R769-D787 PolarHBondContact NE-O 2.85Å; R769-D787 PolarHBondContact NH2-O 2.85Å; R769-K788 CarbonylContact O-C 3.56Å; R769-K788 WeakPolarHBondContact O-CA 3.04Å; R769-I789 HydrophobicContact CB-CD1 4.29Å; R769-I789 HydrophobicContact CB-CG1 4.45Å; R769-I789 PolarHBondContact O-N 2.8Å |
| 770 | L | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 132.8 | -174.6 | -68.6 | 171.8 | 0 | 0 | 0 | 112.6 | F761 F765 R767 I789 V791 I814 | F761-L770 HydrophobicContact CD2-CD1 3.83Å; F761-L770 HydrophobicContact CD2-CD2 4.23Å; F761-L770 HydrophobicContact CE2-CD1 4.18Å; F765-L770 HydrophobicContact CB-CD2 3.95Å; F765-L770 HydrophobicContact CB-CG 4.37Å; R767-L770 PolarHBondContact O-N 3.02Å; R767-L770 VanDerWaalsContact O-N 3.15Å; L770-I789 WeakPolarHBondContact CA-O 3.48Å; L770-I789 HydrophobicContact CD2-CB 4.05Å; L770-I789 HydrophobicContact CD2-CG2 3.87Å; L770-V791 HydrophobicContact CD2-CG2 3.71Å; L770-I814 HydrophobicContact CB-CG2 3.74Å; L770-I814 HydrophobicContact CD1-CD1 3.98Å; L770-I814 WeakPolarHBondContact O-CG2 3.41Å |
| 771 | V | 97.9 | Very high | 94.6 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 108.7 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | L773 K788 I789 Y790 V791 T815 A817 | V771-L773 HydrophobicContact CG1-CD2 4.46Å; V771-L773 PolarHBondContact O-N 3.48Å; V771-K788 HydrophobicContact CG2-CB 4.11Å; V771-K788 HydrophobicContact CG2-CD 4.22Å; V771-K788 HydrophobicContact CG2-CG 4.17Å; V771-I789 PolarHBondContact N-O 2.96Å; V771-Y790 HydrophobicContact CB-CD1 3.82Å; V771-Y790 HydrophobicContact CB-CE1 3.91Å; V771-Y790 HydrophobicContact CG1-CD1 3.99Å; V771-Y790 HydrophobicContact CG1-CE1 3.93Å; V771-Y790 HydrophobicContact CG2-CE1 4.33Å; V771-Y790 CarbonylContact O-C 3.55Å; V771-Y790 WeakPolarHBondContact O-CA 2.85Å; V771-V791 PolarHBondContact O-N 3.07Å; V771-T815 CarbonylContact C-O 3.55Å; V771-T815 WeakPolarHBondContact CA-O 3.47Å; V771-A817 HydrophobicContact CG1-CB 3.95Å |
| 772 | Y | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.9 | 179.1 | -152 | -60.8 | 0 | 0 | 0 | 110.3 | D691 F761 S774 V791 G793 T805 A809 T815 T816 A817 | D691-Y772 PolarHBondContact OD2-OH 3.23Å; F761-Y772 HydrophobicContact CE1-CE2 4.1Å; F761-Y772 HydrophobicContact CE2-CD2 4.34Å; F761-Y772 AromaticContact CZ-CD2 3.91Å; F761-Y772 HydrophobicContact CZ-CD2 3.91Å; F761-Y772 AromaticContact CZ-CE2 3.73Å; F761-Y772 HydrophobicContact CZ-CE2 3.73Å; Y772-S774 PolarHBondContact O-N 3.18Å; Y772-V791 HydrophobicContact CD2-CB 3.92Å; Y772-V791 HydrophobicContact CD2-CG1 3.74Å; Y772-V791 HydrophobicContact CE2-CB 4.28Å; Y772-V791 HydrophobicContact CE2-CG1 3.59Å; Y772-V791 HydrophobicContact CG-CB 4.16Å; Y772-V791 HydrophobicContact CG-CG1 4.35Å; Y772-G793 VanDerWaalsContact OH-CA 3.26Å; Y772-G793 WeakPolarHBondContact OH-CA 3.38Å; Y772-G793 PolarHBondContact OH-N 3.2Å; Y772-T805 HydrophobicContact CE1-CG2 3.68Å; Y772-A809 HydrophobicContact CD2-CB 4.22Å; Y772-A809 HydrophobicContact CG-CB 3.92Å; Y772-T815 PolarHBondContact N-O 3.04Å; Y772-T816 VanDerWaalsContact O-CA 3.26Å; Y772-T816 WeakPolarHBondContact O-CA 3.37Å; Y772-A817 PolarHBondContact O-N 2.88Å |
| 773 | L | 95.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 119.3 | 178.7 | -62.2 | -176.1 | 0 | 0 | 0 | 110.5 | V771 L781 Y790 V791 I792 A817 V839 L843 | V771-L773 HydrophobicContact CG1-CD2 4.46Å; V771-L773 PolarHBondContact O-N 3.48Å; L773-L781 HydrophobicContact CD2-CD2 4.07Å; L773-Y790 HydrophobicContact CD1-CD1 4.35Å; L773-Y790 HydrophobicContact CD2-CD1 3.87Å; L773-Y790 HydrophobicContact CD2-CE1 4.48Å; L773-Y790 HydrophobicContact CG-CD1 4.19Å; L773-V791 PolarHBondContact N-O 3.43Å; L773-I792 HydrophobicContact CB-CG1 4.38Å; L773-I792 HydrophobicContact CD1-CD1 4.42Å; L773-I792 HydrophobicContact CD1-CG1 4.01Å; L773-A817 WeakPolarHBondContact CA-O 3.47Å; L773-A817 HydrophobicContact CD2-CB 4.29Å; L773-V839 HydrophobicContact CD1-CG1 4.09Å; L773-L843 HydrophobicContact CD1-CD1 3.74Å; L773-L843 HydrophobicContact CD1-CD2 4.38Å |
| 774 | S | 92.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -138.5 | 131.1 | 179.7 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | Y772 D776 S777 T805 L806 A817 K818 | Y772-S774 PolarHBondContact O-N 3.18Å; S774-D776 PolarHBondContact O-N 2.87Å; S774-D776 VanDerWaalsContact O-N 3.16Å; S774-D776 PolarHBondContact OG-N 3.05Å; S774-S777 WeakPolarHBondContact O-CB 3.36Å; S774-S777 PolarHBondContact O-N 3.14Å; S774-S777 VanDerWaalsContact O-N 3.14Å; S774-T805 WeakPolarHBondContact CB-OG1 3.11Å; S774-T805 PolarHBondContact OG-OG1 3.24Å; S774-L806 PolarHBondContact OG-N 3.26Å; S774-A817 PolarHBondContact N-O 2.85Å; S774-K818 WeakPolarHBondContact O-CA 3.4Å; S774-K818 WeakPolarHBondContact O-CB 3.49Å | ||
| 775 | P | 89.5 | Confident | 94.2 | Very high | 59 Ų | 59 | 61.4 Ų | 61.4 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.9 | 176.9 | 26.8 | -34.1 | 0 | 0 | 0 | 112.6 | ||
| 776 | D | 88.3 | Confident | 94 | Very high | 56 Ų | 56 | 65.3 Ų | 65.3 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1 | -178 | -57 | -49.6 | 0 | 0 | 0 | 113 | S774 N803 L806 | S774-D776 PolarHBondContact O-N 2.87Å; S774-D776 VanDerWaalsContact O-N 3.16Å; S774-D776 PolarHBondContact OG-N 3.05Å; D776-N803 WeakPolarHBondContact CB-OD1 3.38Å; D776-N803 VanDerWaalsContact OD2-CA 3.25Å; D776-N803 WeakPolarHBondContact OD2-CA 3.47Å; D776-N803 PolarHBondContact OD2-N 2.93Å; D776-L806 HydrophobicContact CB-CB 4.26Å; D776-L806 HydrophobicContact CB-CD2 3.88Å |
| 777 | S | 92 | Very high | 94 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | trans | -65.8 | 143.6 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | S774 R779 T816 K818 | S774-S777 WeakPolarHBondContact O-CB 3.36Å; S774-S777 PolarHBondContact O-N 3.14Å; S774-S777 VanDerWaalsContact O-N 3.14Å; S777-R779 PolarHBondContact OG-N 2.72Å; S777-T816 PolarHBondContact OG-O 3.3Å; S777-T816 PolarHBondContact OG-OG1 2.68Å; S777-K818 WeakPolarHBondContact O-CD 3.48Å; S777-K818 WeakPolarHBondContact O-CE 3.29Å | ||
| 778 | R | 91.1 | Very high | 94.1 | Very high | 242 Ų | 242 | 63 Ų | 63 | 91% | 0.913 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -76.4 | -29.5 | 173.5 | -65 | -177.2 | -176.1 | 173.3 | -0 | 112 | ||
| 779 | R | 94 | Very high | 94.3 | Very high | 134 Ų | 134 | 56 Ų | 56 | 51% | 0.506 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -85.4 | 125.5 | -177.7 | -178.5 | 176.3 | 177.5 | -176.8 | -3.5 | 109.8 | S777 A817 K818 | S777-R779 PolarHBondContact OG-N 2.72Å; R779-A817 CarbonylContact O-C 3.03Å; R779-A817 WeakPolarHBondContact O-CA 3.32Å; R779-K818 WeakPolarHBondContact O-CG 3.31Å; R779-K818 PolarHBondContact O-N 3.4Å |
| 780 | M | 94.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -79.1 | 145.5 | 169.8 | -74.5 | -175.5 | -84 | 0 | 0 | 110 | D782 K818 P820 | M780-D782 PolarHBondContact O-N 3.49Å; M780-K818 CarbonylContact C-O 3.54Å; M780-K818 WeakPolarHBondContact CA-O 3.4Å; M780-K818 HydrophobicContact CG-CD 4.47Å; M780-K818 HydrophobicContact CG-CG 4.1Å; M780-P820 HydrophobicContact CB-CB 4.32Å; M780-P820 HydrophobicContact SD-CB 4.3Å |
| 781 | L | 95.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | trans | -81.7 | 105.5 | 172.6 | -172.9 | 62.6 | 0 | 0 | 0 | 108.5 | L773 A783 V784 Y790 A817 K818 P820 L843 W853 | L773-L781 HydrophobicContact CD2-CD2 4.07Å; L781-A783 WeakPolarHBondContact CD1-O 3.41Å; L781-A783 WeakPolarHBondContact CG-O 3.28Å; L781-V784 HydrophobicContact CD2-CG2 4.48Å; L781-Y790 HydrophobicContact CD1-CE1 3.62Å; L781-Y790 HydrophobicContact CD2-CD1 4.31Å; L781-Y790 HydrophobicContact CD2-CE1 3.78Å; L781-Y790 HydrophobicContact CG-CE1 4.38Å; L781-A817 HydrophobicContact CB-CB 4.02Å; L781-A817 HydrophobicContact CD1-CB 4.15Å; L781-K818 WeakPolarHBondContact CB-O 3.14Å; L781-K818 PolarHBondContact N-O 3.05Å; L781-P820 WeakPolarHBondContact O-CD 3.33Å; L781-P820 WeakPolarHBondContact O-CG 3.41Å; L781-L843 HydrophobicContact CD2-CD2 4.08Å; L781-W853 HydrophobicContact CB-CH2 4.4Å; L781-W853 HydrophobicContact CD2-CH2 3.89Å; L781-W853 HydrophobicContact CD2-CZ2 4.46Å; L781-W853 HydrophobicContact CG-CH2 4.08Å; L781-W853 HydrophobicContact CG-CZ2 4.23Å; L781-W853 WeakPolarHBondContact O-CZ2 3.33Å | ||
| 782 | D | 90.8 | Very high | 94.3 | Very high | 105 Ų | 105 | 51.6 Ų | 51.6 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | trans | -79.3 | -33.9 | -177.1 | -65.2 | -53.2 | 0 | 0 | 0 | 112.5 | M780 W853 | M780-D782 PolarHBondContact O-N 3.49Å; D782-W853 PolarHBondContact O-NE1 3.43Å | ||
| 783 | A | 93.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | trans | -147.3 | 156.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L781 E785 Y790 | L781-A783 WeakPolarHBondContact CD1-O 3.41Å; L781-A783 WeakPolarHBondContact CG-O 3.28Å; A783-E785 PolarHBondContact O-N 2.95Å; A783-Y790 PolarHBondContact O-OH 2.99Å | ||
| 784 | V | 95.4 | Very high | 94 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 12% | 0.121 | 26% | 0.258 | C | S | . | . | trans | -89.8 | 98.4 | 168.3 | -174.3 | 0 | 0 | 0 | 0 | 107.3 | L781 Y790 L843 V846 V847 W853 | L781-V784 HydrophobicContact CD2-CG2 4.48Å; V784-Y790 WeakPolarHBondContact CA-OH 3.32Å; V784-Y790 HydrophobicContact CB-CE2 4.41Å; V784-Y790 HydrophobicContact CG1-CD2 4.09Å; V784-Y790 HydrophobicContact CG1-CE2 3.48Å; V784-Y790 VanDerWaalsContact CG1-CE2 3.48Å; V784-L843 HydrophobicContact CG2-CD2 3.77Å; V784-V846 HydrophobicContact CG2-CB 4.44Å; V784-V846 HydrophobicContact CG2-CG1 3.96Å; V784-V847 HydrophobicContact CB-CG2 3.78Å; V784-V847 HydrophobicContact CG1-CG2 3.53Å; V784-V847 HydrophobicContact CG2-CG2 4.27Å; V784-W853 HydrophobicContact CG2-CH2 4.08Å; V784-W853 HydrophobicContact CG2-CZ2 4.22Å | ||
| 785 | E | 94.9 | Very high | 93.9 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 33% | 0.332 | 26% | 0.262 | S | S | . | . | trans | -77.3 | 128.2 | -174.9 | -71 | 170.8 | -125.9 | 0 | 0 | 110.4 | Q686 A783 D787 K788 Y790 | Q686-E785 PolarHBondContact NE2-O 3.33Å; A783-E785 PolarHBondContact O-N 2.95Å; E785-D787 VanDerWaalsContact C-N 3.29Å; E785-D787 PolarHBondContact O-N 3Å; E785-K788 HydrophobicContact CB-CB 4.2Å; E785-K788 HydrophobicContact CB-CG 3.65Å; E785-K788 HydrophobicContact CG-CG 4.47Å; E785-K788 PolarHBondContact O-N 3.47Å; E785-K788 VanDerWaalsContact O-N 3.12Å; E785-K788 WeakPolarHBondContact OE2-CE 3.13Å; E785-Y790 PolarHBondContact N-OH 3.22Å | ||
| 786 | P | 92.5 | Very high | 93.5 | Very high | 110 Ų | 110 | 50.4 Ų | 50.4 | 71% | 0.714 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.3 | -176 | -24.9 | 34.4 | 0 | 0 | 0 | 115.2 | K788 | P786-K788 VanDerWaalsContact C-N 3.33Š|
| 787 | D | 93.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -14 | 177.6 | 72 | -54.1 | 0 | 0 | 0 | 112.5 | R769 E785 | R769-D787 PolarHBondContact NE-O 2.85Å; R769-D787 PolarHBondContact NH2-O 2.85Å; E785-D787 VanDerWaalsContact C-N 3.29Å; E785-D787 PolarHBondContact O-N 3Å |
| 788 | K | 97.3 | Very high | 90.9 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 19% | 0.191 | 27% | 0.274 | C | S | . | . | trans | -88.8 | 156.6 | -178.5 | -59.4 | -54.9 | 179.1 | -145.3 | 0 | 112.7 | Q686 R769 V771 E785 P786 Y790 | Q686-K788 PolarHBondContact NE2-O 3.09Å; R769-K788 CarbonylContact O-C 3.56Å; R769-K788 WeakPolarHBondContact O-CA 3.04Å; V771-K788 HydrophobicContact CG2-CB 4.11Å; V771-K788 HydrophobicContact CG2-CD 4.22Å; V771-K788 HydrophobicContact CG2-CG 4.17Å; E785-K788 HydrophobicContact CB-CB 4.2Å; E785-K788 HydrophobicContact CB-CG 3.65Å; E785-K788 HydrophobicContact CG-CG 4.47Å; E785-K788 PolarHBondContact O-N 3.47Å; E785-K788 VanDerWaalsContact O-N 3.12Å; E785-K788 WeakPolarHBondContact OE2-CE 3.13Å; P786-K788 VanDerWaalsContact C-N 3.33Å; K788-Y790 HydrophobicContact CB-CE2 4Å | ||
| 789 | I | 97.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 113.4 | 177 | -61.2 | 169.8 | 0 | 0 | 0 | 107 | P687 V689 F765 R769 L770 V771 | P687-I789 HydrophobicContact CB-CG1 4.33Å; P687-I789 HydrophobicContact CB-CG2 4.21Å; P687-I789 HydrophobicContact CG-CG1 4.46Å; V689-I789 HydrophobicContact CG2-CG2 3.76Å; F765-I789 HydrophobicContact CB-CD1 3.86Å; F765-I789 HydrophobicContact CD1-CD1 3.48Å; F765-I789 VanDerWaalsContact CD1-CD1 3.48Å; F765-I789 HydrophobicContact CD2-CG2 4.49Å; F765-I789 HydrophobicContact CE1-CD1 4.2Å; F765-I789 HydrophobicContact CG-CD1 3.82Å; F765-I789 HydrophobicContact CG-CG2 4.44Å; R769-I789 HydrophobicContact CB-CD1 4.29Å; R769-I789 HydrophobicContact CB-CG1 4.45Å; R769-I789 PolarHBondContact O-N 2.8Å; L770-I789 WeakPolarHBondContact CA-O 3.48Å; L770-I789 HydrophobicContact CD2-CB 4.05Å; L770-I789 HydrophobicContact CD2-CG2 3.87Å; V771-I789 PolarHBondContact N-O 2.96Å |
| 790 | Y | 98.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.7 | -175.9 | -64.3 | -81.8 | 0 | 0 | 0 | 110.3 | L688 V689 V771 L773 L781 A783 V784 E785 K788 | L688-Y790 WeakPolarHBondContact CD1-O 3.49Å; V689-Y790 PolarHBondContact N-O 3.4Å; V771-Y790 HydrophobicContact CB-CD1 3.82Å; V771-Y790 HydrophobicContact CB-CE1 3.91Å; V771-Y790 HydrophobicContact CG1-CD1 3.99Å; V771-Y790 HydrophobicContact CG1-CE1 3.93Å; V771-Y790 HydrophobicContact CG2-CE1 4.33Å; V771-Y790 CarbonylContact O-C 3.55Å; V771-Y790 WeakPolarHBondContact O-CA 2.85Å; L773-Y790 HydrophobicContact CD1-CD1 4.35Å; L773-Y790 HydrophobicContact CD2-CD1 3.87Å; L773-Y790 HydrophobicContact CD2-CE1 4.48Å; L773-Y790 HydrophobicContact CG-CD1 4.19Å; L781-Y790 HydrophobicContact CD1-CE1 3.62Å; L781-Y790 HydrophobicContact CD2-CD1 4.31Å; L781-Y790 HydrophobicContact CD2-CE1 3.78Å; L781-Y790 HydrophobicContact CG-CE1 4.38Å; A783-Y790 PolarHBondContact O-OH 2.99Å; V784-Y790 WeakPolarHBondContact CA-OH 3.32Å; V784-Y790 HydrophobicContact CB-CE2 4.41Å; V784-Y790 HydrophobicContact CG1-CD2 4.09Å; V784-Y790 HydrophobicContact CG1-CE2 3.48Å; V784-Y790 VanDerWaalsContact CG1-CE2 3.48Å; E785-Y790 PolarHBondContact N-OH 3.22Å; K788-Y790 HydrophobicContact CB-CE2 4Å |
| 791 | V | 98.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.7 | 179.8 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | V689 D691 F761 L770 V771 Y772 L773 | V689-V791 HydrophobicContact CB-CB 4.41Å; V689-V791 HydrophobicContact CB-CG1 4.28Å; V689-V791 HydrophobicContact CB-CG2 4.1Å; V689-V791 HydrophobicContact CG1-CG1 4.01Å; V689-V791 HydrophobicContact CG1-CG2 4.41Å; V689-V791 CarbonylContact O-C 3.6Å; V689-V791 WeakPolarHBondContact O-CA 3.19Å; D691-V791 HydrophobicContact CB-CG1 3.86Å; F761-V791 HydrophobicContact CD1-CG1 4.24Å; F761-V791 HydrophobicContact CD2-CG1 4.3Å; F761-V791 HydrophobicContact CD2-CG2 3.93Å; F761-V791 HydrophobicContact CE1-CG1 4.22Å; F761-V791 HydrophobicContact CE2-CG1 4.26Å; F761-V791 HydrophobicContact CE2-CG2 4.16Å; F761-V791 HydrophobicContact CG-CG1 4.29Å; F761-V791 HydrophobicContact CG-CG2 4.47Å; F761-V791 HydrophobicContact CZ-CG1 4.24Å; L770-V791 HydrophobicContact CD2-CG2 3.71Å; V771-V791 PolarHBondContact O-N 3.07Å; Y772-V791 HydrophobicContact CD2-CB 3.92Å; Y772-V791 HydrophobicContact CD2-CG1 3.74Å; Y772-V791 HydrophobicContact CE2-CB 4.28Å; Y772-V791 HydrophobicContact CE2-CG1 3.59Å; Y772-V791 HydrophobicContact CG-CB 4.16Å; Y772-V791 HydrophobicContact CG-CG1 4.35Å; L773-V791 PolarHBondContact N-O 3.43Å |
| 792 | I | 96.4 | Very high | 84.4 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.051 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 125.7 | 176.8 | -52.7 | 167.3 | 0 | 0 | 0 | 108 | L688 V689 L690 D691 L773 A794 L836 V839 I840 L843 | L688-I792 HydrophobicContact CD1-CD1 4.19Å; V689-I792 PolarHBondContact O-N 2.94Å; L690-I792 CarbonylContact C-O 3.6Å; L690-I792 WeakPolarHBondContact CA-O 3.26Å; L690-I792 HydrophobicContact CD2-CB 3.78Å; L690-I792 HydrophobicContact CD2-CD1 4.13Å; L690-I792 HydrophobicContact CD2-CG1 4.41Å; L690-I792 HydrophobicContact CD2-CG2 4.4Å; D691-I792 PolarHBondContact N-O 3.46Å; L773-I792 HydrophobicContact CB-CG1 4.38Å; L773-I792 HydrophobicContact CD1-CD1 4.42Å; L773-I792 HydrophobicContact CD1-CG1 4.01Å; I792-A794 PolarHBondContact O-N 3.37Å; I792-L836 HydrophobicContact CG2-CD2 3.55Å; I792-V839 HydrophobicContact CD1-CB 4.26Å; I792-V839 HydrophobicContact CD1-CG1 3.6Å; I792-V839 HydrophobicContact CG1-CG1 4.19Å; I792-I840 HydrophobicContact CD1-CG1 3.84Å; I792-L843 HydrophobicContact CD1-CD1 4.33Å |
| 793 | G | 94.2 | Very high | 83.8 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y772 M795 L836 | Y772-G793 VanDerWaalsContact OH-CA 3.26Å; Y772-G793 WeakPolarHBondContact OH-CA 3.38Å; Y772-G793 PolarHBondContact OH-N 3.2Å; G793-M795 PolarHBondContact O-N 2.99Å; G793-L836 VanDerWaalsContact O-CD2 3.28Å; G793-L836 WeakPolarHBondContact O-CD2 3.26Å |
| 794 | A | 93.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -73.9 | 84.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D691 M692 T706 L710 I792 L836 | D691-A794 VanDerWaalsContact O-CB 3.27Å; D691-A794 WeakPolarHBondContact O-CB 3.44Å; D691-A794 PolarHBondContact O-N 3.1Å; M692-A794 HydrophobicContact SD-CB 3.56Å; M692-A794 VanDerWaalsContact SD-CB 3.56Å; T706-A794 HydrophobicContact CG2-CB 4.32Å; T706-A794 WeakPolarHBondContact CG2-O 3.28Å; L710-A794 HydrophobicContact CD2-CB 4.03Å; I792-A794 PolarHBondContact O-N 3.37Å; A794-L836 HydrophobicContact CB-CD1 4.43Å | ||
| 795 | M | 89.6 | Confident | 83.1 | Confident | 23 Ų | 23 | 55 Ų | 55 | 11% | 0.113 | 28% | 0.284 | C | S | . | . | trans | -151.4 | 153.5 | 175.5 | 71.5 | -159.7 | 90.6 | 0 | 0 | 111.7 | P694 L698 G793 W804 T805 | P694-M795 HydrophobicContact CB-CB 4.04Å; P694-M795 HydrophobicContact CB-CE 4.04Å; P694-M795 HydrophobicContact CB-SD 4.39Å; P694-M795 HydrophobicContact CG-CE 3.49Å; P694-M795 VanDerWaalsContact CG-CE 3.49Å; P694-M795 HydrophobicContact CG-SD 4.46Å; L698-M795 HydrophobicContact CD1-CB 4.35Å; L698-M795 HydrophobicContact CD2-CB 4.23Å; G793-M795 PolarHBondContact O-N 2.99Å; M795-W804 HydrophobicContact CE-CD2 4.37Å; M795-W804 HydrophobicContact CE-CE3 3.56Å; M795-W804 HydrophobicContact CE-CZ3 3.73Å; M795-W804 HydrophobicContact SD-CD2 4.47Å; M795-W804 HydrophobicContact SD-CE3 4.19Å; M795-T805 HydrophobicContact CE-CG2 3.48Å; M795-T805 VanDerWaalsContact CE-CG2 3.48Å; M795-T805 HydrophobicContact SD-CG2 4.46Å | ||
| 796 | V | 81.1 | Confident | 82.9 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | trans | -88.7 | 131.8 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | L705 T706 R798 | L705-V796 HydrophobicContact CB-CB 4.41Å; L705-V796 HydrophobicContact CB-CG1 4.41Å; L705-V796 HydrophobicContact CB-CG2 3.59Å; L705-V796 HydrophobicContact CD1-CG1 4.45Å; T706-V796 VanDerWaalsContact OG1-CG2 3.24Å; T706-V796 WeakPolarHBondContact OG1-CG2 3.14Å; T706-V796 PolarHBondContact OG1-N 3.38Å; V796-R798 PolarHBondContact O-N 3.4Å | ||
| 797 | D | 62.7 | Low | 82.8 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | trans | -58 | 122.8 | -179.1 | -81.7 | -40.3 | 0 | 0 | 0 | 113.8 | S833 L834 | D797-S833 WeakPolarHBondContact OD1-CB 3.35Å; D797-S833 WeakPolarHBondContact OD2-CA 3.48Å; D797-S833 WeakPolarHBondContact OD2-CB 3.42Å; D797-L834 PolarHBondContact OD2-N 3.09Å | ||
| 798 | R | 63.4 | Low | 82.6 | Confident | 113 Ų | 113 | 46.4 Ų | 46.4 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | trans | -132.6 | 147.8 | 160.8 | -72.6 | -155.7 | -174.8 | 166.3 | 0.6 | 110.8 | E702 V796 N800 R801 | E702-R798 WeakPolarHBondContact OE1-CD 3.31Å; E702-R798 IonicContact OE1-CZ 2.96Å; E702-R798 IonicContact OE1-NE 3.49Å; E702-R798 PolarHBondContact OE1-NE 2.88Å; E702-R798 IonicContact OE1-NH1 2.79Å; E702-R798 PolarHBondContact OE1-NH1 3.24Å; E702-R798 IonicContact OE1-NH2 2.74Å; V796-R798 PolarHBondContact O-N 3.4Å; R798-N800 PolarHBondContact O-N 3.47Å; R798-R801 PolarHBondContact O-N 3.04Å | ||
| 799 | P | 53 | Low | 82.4 | Confident | 100 Ų | 100 | 44.3 Ų | 44.3 | 65% | 0.649 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -60.4 | -19.8 | -175.8 | 22.1 | -32.7 | 0 | 0 | 0 | 114.4 | R801 L802 | P799-R801 VanDerWaalsContact C-N 3.31Å; P799-R801 PolarHBondContact O-N 3.13Å; P799-L802 WeakPolarHBondContact O-CD1 3.29Å |
| 800 | N | 55.5 | Low | 82.1 | Confident | 155 Ų | 155 | 51 Ų | 51 | 83% | 0.829 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -81.6 | 0.1 | -175.6 | -67.1 | 13.9 | 0 | 0 | 0 | 114.5 | R798 | R798-N800 PolarHBondContact O-N 3.47Š|
| 801 | R | 64.5 | Low | 81.9 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 28% | 0.279 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -117.9 | 41 | 179.3 | -66 | -167.7 | -178 | -159.3 | -0.7 | 113.2 | E697 R798 P799 N803 W804 | E697-R801 PolarHBondContact O-NH2 3.34Å; E697-R801 IonicContact OE2-NH1 3.75Å; R798-R801 PolarHBondContact O-N 3.04Å; P799-R801 VanDerWaalsContact C-N 3.31Å; P799-R801 PolarHBondContact O-N 3.13Å; R801-N803 PolarHBondContact O-N 3.07Å; R801-W804 HydrophobicContact CB-CB 4.48Å; R801-W804 PolarHBondContact O-N 3.32Å |
| 802 | L | 65.4 | Low | 81.6 | Confident | 126 Ų | 126 | 60.3 Ų | 60.3 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 133.7 | 172.8 | -109.9 | 83.5 | 0 | 0 | 0 | 110.2 | P799 W804 | P799-L802 WeakPolarHBondContact O-CD1 3.29Å; L802-W804 VanDerWaalsContact C-N 3.34Å; L802-W804 PolarHBondContact O-N 3Å |
| 803 | N | 78.5 | Confident | 81.5 | Confident | 79 Ų | 79 | 67.1 Ų | 67.1 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 10.6 | 174.1 | -49.3 | -56.6 | 0 | 0 | 0 | 117.6 | D776 R801 T805 L806 G807 | D776-N803 WeakPolarHBondContact CB-OD1 3.38Å; D776-N803 VanDerWaalsContact OD2-CA 3.25Å; D776-N803 WeakPolarHBondContact OD2-CA 3.47Å; D776-N803 PolarHBondContact OD2-N 2.93Å; R801-N803 PolarHBondContact O-N 3.07Å; N803-T805 PolarHBondContact O-N 3.14Å; N803-L806 PolarHBondContact O-N 2.66Å; N803-G807 PolarHBondContact O-N 3.29Å |
| 804 | W | 85.2 | Confident | 81.6 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -51.3 | -178.4 | -170.9 | 102.4 | 0 | 0 | 0 | 112.1 | P694 E697 M795 R801 L802 L806 G807 K808 | P694-W804 HydrophobicContact CB-CH2 4.2Å; P694-W804 HydrophobicContact CB-CZ2 4.39Å; P694-W804 HydrophobicContact CG-CH2 3.57Å; P694-W804 HydrophobicContact CG-CZ2 4.23Å; P694-W804 HydrophobicContact CG-CZ3 3.77Å; E697-W804 PolarHBondContact OE2-NE1 3.09Å; M795-W804 HydrophobicContact CE-CD2 4.37Å; M795-W804 HydrophobicContact CE-CE3 3.56Å; M795-W804 HydrophobicContact CE-CZ3 3.73Å; M795-W804 HydrophobicContact SD-CD2 4.47Å; M795-W804 HydrophobicContact SD-CE3 4.19Å; R801-W804 HydrophobicContact CB-CB 4.48Å; R801-W804 PolarHBondContact O-N 3.32Å; L802-W804 VanDerWaalsContact C-N 3.34Å; L802-W804 PolarHBondContact O-N 3Å; W804-L806 VanDerWaalsContact C-N 3.35Å; W804-L806 PolarHBondContact O-N 3.09Å; W804-G807 PolarHBondContact O-N 3.49Å; W804-K808 HydrophobicContact CH2-CD 3.5Å; W804-K808 HydrophobicContact CZ2-CD 4.43Å; W804-K808 HydrophobicContact CZ3-CB 4.23Å; W804-K808 HydrophobicContact CZ3-CD 3.65Å; W804-K808 PolarHBondContact O-N 3.47Å |
| 805 | T | 88.7 | Confident | 81.7 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | -179.9 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | Y772 S774 M795 N803 A809 | Y772-T805 HydrophobicContact CE1-CG2 3.68Å; S774-T805 WeakPolarHBondContact CB-OG1 3.11Å; S774-T805 PolarHBondContact OG-OG1 3.24Å; M795-T805 HydrophobicContact CE-CG2 3.48Å; M795-T805 VanDerWaalsContact CE-CG2 3.48Å; M795-T805 HydrophobicContact SD-CG2 4.46Å; N803-T805 PolarHBondContact O-N 3.14Å; T805-A809 WeakPolarHBondContact O-CB 3.36Å; T805-A809 PolarHBondContact O-N 2.99Å |
| 806 | L | 90.6 | Very high | 82 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 175.4 | -175.8 | 63.5 | 0 | 0 | 0 | 111.6 | S774 D776 N803 W804 K810 T816 | S774-L806 PolarHBondContact OG-N 3.26Å; D776-L806 HydrophobicContact CB-CB 4.26Å; D776-L806 HydrophobicContact CB-CD2 3.88Å; N803-L806 PolarHBondContact O-N 2.66Å; W804-L806 VanDerWaalsContact C-N 3.35Å; W804-L806 PolarHBondContact O-N 3.09Å; L806-K810 HydrophobicContact CG-CD 4.39Å; L806-K810 WeakPolarHBondContact O-CB 3.43Å; L806-K810 VanDerWaalsContact O-CG 3.31Å; L806-K810 WeakPolarHBondContact O-CG 3.49Å; L806-K810 PolarHBondContact O-N 2.96Å; L806-T816 HydrophobicContact CD1-CG2 4.06Å |
| 807 | G | 90.8 | Very high | 82.7 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N803 W804 A809 K810 Q811 | N803-G807 PolarHBondContact O-N 3.29Å; W804-G807 PolarHBondContact O-N 3.49Å; G807-A809 PolarHBondContact O-N 2.6Å; G807-K810 PolarHBondContact O-N 3.14Å; G807-Q811 WeakPolarHBondContact O-CG 3.31Å; G807-Q811 PolarHBondContact O-N 3.22Å |
| 808 | K | 90.3 | Very high | 84.3 | Confident | 27 Ų | 27 | 69 Ų | 69 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 176.3 | -176.2 | 172.1 | -178.7 | -175.9 | 0 | 111.8 | D691 S693 W804 K810 Q811 L812 | D691-K808 IonicContact OD1-NZ 2.86Å; D691-K808 PolarHBondContact OD1-NZ 3.01Å; D691-K808 WeakPolarHBondContact OD2-CE 3.31Å; D691-K808 IonicContact OD2-NZ 2.72Å; D691-K808 PolarHBondContact OD2-NZ 3.04Å; S693-K808 VanDerWaalsContact CB-NZ 3.29Å; S693-K808 PolarHBondContact OG-NZ 3.03Å; W804-K808 HydrophobicContact CH2-CD 3.5Å; W804-K808 HydrophobicContact CZ2-CD 4.43Å; W804-K808 HydrophobicContact CZ3-CB 4.23Å; W804-K808 HydrophobicContact CZ3-CD 3.65Å; W804-K808 PolarHBondContact O-N 3.47Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 3.17Å; K808-Q811 PolarHBondContact O-N 3.36Å; K808-L812 HydrophobicContact CG-CD1 3.93Å; K808-L812 WeakPolarHBondContact O-CG 3.49Å; K808-L812 PolarHBondContact O-N 2.83Å; K808-L812 VanDerWaalsContact O-N 3.1Å |
| 809 | A | 92.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y772 T805 G807 L812 N813 I814 T816 | Y772-A809 HydrophobicContact CD2-CB 4.22Å; Y772-A809 HydrophobicContact CG-CB 3.92Å; T805-A809 WeakPolarHBondContact O-CB 3.36Å; T805-A809 PolarHBondContact O-N 2.99Å; G807-A809 PolarHBondContact O-N 2.6Å; A809-L812 PolarHBondContact O-N 3.39Å; A809-N813 PolarHBondContact O-N 3.06Å; A809-N813 VanDerWaalsContact O-N 3.13Å; A809-I814 PolarHBondContact O-N 2.93Å; A809-T816 HydrophobicContact CB-CG2 3.31Å |
| 810 | K | 92.6 | Very high | 87.8 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 61% | 0.613 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 174.6 | -77.8 | 178.7 | 177.1 | -178.1 | 0 | 112.7 | L806 G807 K808 L812 N813 | L806-K810 HydrophobicContact CG-CD 4.39Å; L806-K810 WeakPolarHBondContact O-CB 3.43Å; L806-K810 VanDerWaalsContact O-CG 3.31Å; L806-K810 WeakPolarHBondContact O-CG 3.49Å; L806-K810 PolarHBondContact O-N 2.96Å; G807-K810 PolarHBondContact O-N 3.14Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 3.17Å; K810-L812 PolarHBondContact O-N 3.41Å; K810-N813 PolarHBondContact O-N 3.48Å; K810-N813 VanDerWaalsContact O-N 3.13Å |
| 811 | Q | 93.1 | Very high | 89.6 | Confident | 171 Ų | 171 | 53.1 Ų | 53.1 | 80% | 0.799 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.3 | -34.6 | 176.1 | -75.2 | 176.8 | -9.8 | 0 | 0 | 112 | G807 K808 N813 | G807-Q811 WeakPolarHBondContact O-CG 3.31Å; G807-Q811 PolarHBondContact O-N 3.22Å; K808-Q811 PolarHBondContact O-N 3.36Å; Q811-N813 VanDerWaalsContact C-N 3.33Å |
| 812 | L | 92.9 | Very high | 90.8 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -1.9 | 179.4 | -63.4 | 171.5 | 0 | 0 | 0 | 113.9 | F761 Y762 R767 K808 A809 K810 I814 | F761-L812 HydrophobicContact CE2-CD1 4.49Å; F761-L812 HydrophobicContact CZ-CD1 3.84Å; Y762-L812 HydrophobicContact CD1-CD1 3.65Å; Y762-L812 HydrophobicContact CD1-CD2 4.05Å; Y762-L812 HydrophobicContact CD1-CG 4.44Å; Y762-L812 HydrophobicContact CE1-CD1 3.53Å; Y762-L812 HydrophobicContact CE1-CD2 3.57Å; Y762-L812 HydrophobicContact CE1-CG 4.2Å; Y762-L812 HydrophobicContact CE2-CD2 4.44Å; R767-L812 PolarHBondContact NH1-O 2.68Å; K808-L812 HydrophobicContact CG-CD1 3.93Å; K808-L812 WeakPolarHBondContact O-CG 3.49Å; K808-L812 PolarHBondContact O-N 2.83Å; K808-L812 VanDerWaalsContact O-N 3.1Å; A809-L812 PolarHBondContact O-N 3.39Å; K810-L812 PolarHBondContact O-N 3.41Å; L812-I814 VanDerWaalsContact C-N 3.34Å; L812-I814 HydrophobicContact CB-CD1 3.74Å; L812-I814 HydrophobicContact CB-CG1 3.89Å; L812-I814 HydrophobicContact CD1-CD1 4.18Å; L812-I814 PolarHBondContact O-N 3.33Å |
| 813 | N | 94.2 | Very high | 92 | Very high | 154 Ų | 154 | 53.4 Ų | 53.4 | 82% | 0.824 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 44.7 | -174 | -161.2 | 27.2 | 0 | 0 | 0 | 113.5 | A809 K810 Q811 | A809-N813 PolarHBondContact O-N 3.06Å; A809-N813 VanDerWaalsContact O-N 3.13Å; K810-N813 PolarHBondContact O-N 3.48Å; K810-N813 VanDerWaalsContact O-N 3.13Å; Q811-N813 VanDerWaalsContact C-N 3.33Å |
| 814 | I | 95.2 | Very high | 92.6 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | trans | -105.8 | 141.2 | -178.9 | -63.4 | 177 | 0 | 0 | 0 | 109.9 | F761 L770 A809 L812 | F761-I814 HydrophobicContact CE2-CD1 3.59Å; F761-I814 HydrophobicContact CZ-CD1 4.29Å; L770-I814 HydrophobicContact CB-CG2 3.74Å; L770-I814 HydrophobicContact CD1-CD1 3.98Å; L770-I814 WeakPolarHBondContact O-CG2 3.41Å; A809-I814 PolarHBondContact O-N 2.93Å; L812-I814 VanDerWaalsContact C-N 3.34Å; L812-I814 HydrophobicContact CB-CD1 3.74Å; L812-I814 HydrophobicContact CB-CG1 3.89Å; L812-I814 HydrophobicContact CD1-CD1 4.18Å; L812-I814 PolarHBondContact O-N 3.33Å | ||
| 815 | T | 95.5 | Very high | 92.8 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 138.3 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | V771 Y772 | V771-T815 CarbonylContact C-O 3.55Å; V771-T815 WeakPolarHBondContact CA-O 3.47Å; Y772-T815 PolarHBondContact N-O 3.04Å |
| 816 | T | 96.3 | Very high | 92.8 | Very high | 26 Ų | 26 | 60.2 Ų | 60.2 | 16% | 0.16 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 149.5 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 111.8 | Y772 S777 L806 A809 | Y772-T816 VanDerWaalsContact O-CA 3.26Å; Y772-T816 WeakPolarHBondContact O-CA 3.37Å; S777-T816 PolarHBondContact OG-O 3.3Å; S777-T816 PolarHBondContact OG-OG1 2.68Å; L806-T816 HydrophobicContact CD1-CG2 4.06Å; A809-T816 HydrophobicContact CB-CG2 3.31Å |
| 817 | A | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | V771 Y772 L773 S774 R779 L781 | V771-A817 HydrophobicContact CG1-CB 3.95Å; Y772-A817 PolarHBondContact O-N 2.88Å; L773-A817 WeakPolarHBondContact CA-O 3.47Å; L773-A817 HydrophobicContact CD2-CB 4.29Å; S774-A817 PolarHBondContact N-O 2.85Å; R779-A817 CarbonylContact O-C 3.03Å; R779-A817 WeakPolarHBondContact O-CA 3.32Å; L781-A817 HydrophobicContact CB-CB 4.02Å; L781-A817 HydrophobicContact CD1-CB 4.15Å |
| 818 | K | 94.9 | Very high | 92.4 | Very high | 57 Ų | 57 | 63.2 Ų | 63.2 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -112.5 | 153.9 | 169.1 | 66.9 | 171.7 | 168.7 | -172.8 | 0 | 110.5 | S774 S777 R779 M780 L781 | S774-K818 WeakPolarHBondContact O-CA 3.4Å; S774-K818 WeakPolarHBondContact O-CB 3.49Å; S777-K818 WeakPolarHBondContact O-CD 3.48Å; S777-K818 WeakPolarHBondContact O-CE 3.29Å; R779-K818 WeakPolarHBondContact O-CG 3.31Å; R779-K818 PolarHBondContact O-N 3.4Å; M780-K818 CarbonylContact C-O 3.54Å; M780-K818 WeakPolarHBondContact CA-O 3.4Å; M780-K818 HydrophobicContact CG-CD 4.47Å; M780-K818 HydrophobicContact CG-CG 4.1Å; L781-K818 WeakPolarHBondContact CB-O 3.14Å; L781-K818 PolarHBondContact N-O 3.05Å |
| 819 | L | 95.8 | Very high | 92 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | trans | -61.7 | 140.4 | 171.8 | -61.7 | 178.3 | 0 | 0 | 0 | 110.4 | L821 L834 V839 I842 L843 W853 | L819-L821 HydrophobicContact CB-CD2 4.06Å; L819-L821 HydrophobicContact CB-CG 4.03Å; L819-L821 PolarHBondContact O-N 3.21Å; L819-L834 HydrophobicContact CD1-CD1 3.98Å; L819-V839 HydrophobicContact CD1-CG1 4.25Å; L819-V839 HydrophobicContact CD1-CG2 4.31Å; L819-I842 HydrophobicContact CD1-CD1 3.88Å; L819-I842 HydrophobicContact CD1-CG2 4.44Å; L819-I842 HydrophobicContact CD2-CG2 4.44Å; L819-L843 HydrophobicContact CD2-CD2 4.19Å; L819-W853 HydrophobicContact CD2-CH2 4.4Å; L819-W853 HydrophobicContact CD2-CZ3 3.99Å | ||
| 820 | P | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | trans | -77.9 | 46.7 | -175.8 | 34.2 | -38.6 | 0 | 0 | 0 | 112.6 | M780 L781 D822 K823 Y824 W853 | M780-P820 HydrophobicContact CB-CB 4.32Å; M780-P820 HydrophobicContact SD-CB 4.3Å; L781-P820 WeakPolarHBondContact O-CD 3.33Å; L781-P820 WeakPolarHBondContact O-CG 3.41Å; P820-D822 PolarHBondContact O-N 2.91Å; P820-K823 HydrophobicContact CB-CB 4.37Å; P820-K823 WeakPolarHBondContact O-CB 3.24Å; P820-K823 PolarHBondContact O-N 3.35Å; P820-Y824 HydrophobicContact CB-CD2 4.21Å; P820-Y824 HydrophobicContact CB-CE2 3.86Å; P820-Y824 HydrophobicContact CG-CD2 4.07Å; P820-Y824 HydrophobicContact CG-CE2 3.68Å; P820-Y824 VanDerWaalsContact O-CD2 3.24Å; P820-Y824 WeakPolarHBondContact O-CD2 3.34Å; P820-W853 HydrophobicContact CG-CD2 3.61Å; P820-W853 HydrophobicContact CG-CE3 3.57Å; P820-W853 HydrophobicContact CG-CG 4.14Å; P820-W853 HydrophobicContact CG-CH2 4.38Å; P820-W853 HydrophobicContact CG-CZ2 4.37Å; P820-W853 HydrophobicContact CG-CZ3 3.99Å | ||
| 821 | L | 92.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.2 | -46.8 | -171.8 | -59.1 | 178.2 | 0 | 0 | 0 | 112.4 | L819 K823 Y824 V825 W827 K832 L834 I857 | L819-L821 HydrophobicContact CB-CD2 4.06Å; L819-L821 HydrophobicContact CB-CG 4.03Å; L819-L821 PolarHBondContact O-N 3.21Å; L821-K823 PolarHBondContact O-N 3.42Å; L821-Y824 PolarHBondContact O-N 2.89Å; L821-Y824 VanDerWaalsContact O-N 3.14Å; L821-V825 WeakPolarHBondContact O-CG2 3.43Å; L821-V825 PolarHBondContact O-N 3.5Å; L821-W827 HydrophobicContact CB-CZ3 4.32Å; L821-W827 HydrophobicContact CD1-CH2 3.91Å; L821-W827 HydrophobicContact CD1-CZ3 3.89Å; L821-W827 HydrophobicContact CD2-CZ3 4.46Å; L821-W827 HydrophobicContact CG-CZ3 4.45Å; L821-K832 HydrophobicContact CD1-CB 4.33Å; L821-L834 HydrophobicContact CD1-CD1 4.28Å; L821-L834 HydrophobicContact CD1-CG 4.47Å; L821-L834 HydrophobicContact CD2-CD1 4.22Å; L821-I857 HydrophobicContact CD2-CD1 4.05Å; L821-I857 HydrophobicContact CD2-CG1 4.05Å; L821-I857 HydrophobicContact CD2-CG2 4.03Å |
| 822 | D | 89.3 | Confident | 90.5 | Very high | 85 Ų | 85 | 59.9 Ų | 59.9 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -19.5 | -175.7 | -68.3 | -31.6 | 0 | 0 | 0 | 113.8 | P820 K832 | P820-D822 PolarHBondContact O-N 2.91Å; D822-K832 WeakPolarHBondContact OD1-CE 3.23Å; D822-K832 IonicContact OD1-NZ 3.84Å; D822-K832 PolarHBondContact OD1-NZ 3.33Å; D822-K832 IonicContact OD2-NZ 3.08Å; D822-K832 PolarHBondContact OD2-NZ 3.27Å |
| 823 | K | 91 | Very high | 90.1 | Very high | 122 Ų | 122 | 60.1 Ų | 60.1 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.8 | -28.9 | 176.6 | -176.5 | 173.6 | 174.4 | -177.6 | 0 | 111.8 | P820 L821 | P820-K823 HydrophobicContact CB-CB 4.37Å; P820-K823 WeakPolarHBondContact O-CB 3.24Å; P820-K823 PolarHBondContact O-N 3.35Å; L821-K823 PolarHBondContact O-N 3.42Å |
| 824 | Y | 91.3 | Very high | 89.9 | Confident | 72 Ų | 72 | 53.5 Ų | 53.5 | 28% | 0.282 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -119.5 | -20.9 | -168.6 | -59.6 | -70.7 | 0 | 0 | 0 | 114.7 | P820 L821 W853 I857 | P820-Y824 HydrophobicContact CB-CD2 4.21Å; P820-Y824 HydrophobicContact CB-CE2 3.86Å; P820-Y824 HydrophobicContact CG-CD2 4.07Å; P820-Y824 HydrophobicContact CG-CE2 3.68Å; P820-Y824 VanDerWaalsContact O-CD2 3.24Å; P820-Y824 WeakPolarHBondContact O-CD2 3.34Å; L821-Y824 PolarHBondContact O-N 2.89Å; L821-Y824 VanDerWaalsContact O-N 3.14Å; Y824-W853 HydrophobicContact CD1-CB 4.35Å; Y824-W853 HydrophobicContact CD2-CB 3.5Å; Y824-W853 HydrophobicContact CD2-CG 4.24Å; Y824-W853 HydrophobicContact CE1-CB 4.14Å; Y824-W853 HydrophobicContact CE2-CB 3.23Å; Y824-W853 AromaticContact CE2-CD1 3.97Å; Y824-W853 HydrophobicContact CE2-CD2 4.4Å; Y824-W853 AromaticContact CE2-CG 3.58Å; Y824-W853 HydrophobicContact CE2-CG 3.58Å; Y824-W853 HydrophobicContact CG-CB 4.06Å; Y824-W853 AromaticContact CZ-CD1 3.98Å; Y824-W853 AromaticContact CZ-CG 3.96Å; Y824-I857 HydrophobicContact CD2-CD1 3.82Å; Y824-I857 HydrophobicContact CG-CD1 4.3Å |
| 825 | V | 89.7 | Confident | 89.7 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | trans | -139.3 | 145.6 | -179.8 | -64 | 0 | 0 | 0 | 0 | 113.3 | L821 W827 I857 V858 L866 | L821-V825 WeakPolarHBondContact O-CG2 3.43Å; L821-V825 PolarHBondContact O-N 3.5Å; V825-W827 HydrophobicContact CG2-CE3 4.05Å; V825-W827 HydrophobicContact CG2-CZ3 4.15Å; V825-I857 HydrophobicContact CB-CG2 4.31Å; V825-I857 HydrophobicContact CG1-CB 4.43Å; V825-I857 HydrophobicContact CG1-CG2 3.64Å; V825-I857 HydrophobicContact CG2-CG2 3.63Å; V825-V858 HydrophobicContact CG1-CG2 3.95Å; V825-L866 HydrophobicContact CB-CD2 3.94Å; V825-L866 HydrophobicContact CG1-CD2 4.49Å; V825-L866 HydrophobicContact CG2-CD2 3.9Å | ||
| 826 | R | 88.7 | Confident | 89.6 | Confident | 202 Ų | 202 | 51.8 Ų | 51.8 | 76% | 0.762 | 27% | 0.265 | S | S | * | . | trans | -85.5 | 113.9 | 173 | -168.2 | 174.4 | -174.4 | 172.3 | 1.6 | 110.7 | H828 | R826-H828 PolarHBondContact O-ND1 2.72Š| ||
| 827 | W | 88.1 | Confident | 89.6 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -80.5 | 123.1 | 178.5 | -143.8 | -97.4 | 0 | 0 | 0 | 111.5 | L821 V825 S829 G830 T831 K832 L834 V861 K865 L866 | L821-W827 HydrophobicContact CB-CZ3 4.32Å; L821-W827 HydrophobicContact CD1-CH2 3.91Å; L821-W827 HydrophobicContact CD1-CZ3 3.89Å; L821-W827 HydrophobicContact CD2-CZ3 4.46Å; L821-W827 HydrophobicContact CG-CZ3 4.45Å; V825-W827 HydrophobicContact CG2-CE3 4.05Å; V825-W827 HydrophobicContact CG2-CZ3 4.15Å; W827-S829 PolarHBondContact NE1-O 2.93Å; W827-G830 PolarHBondContact NE1-O 3.25Å; W827-T831 WeakPolarHBondContact CZ2-O 3.35Å; W827-T831 PolarHBondContact NE1-O 3.31Å; W827-K832 HydrophobicContact CD2-CG 3.86Å; W827-K832 HydrophobicContact CE3-CG 4.47Å; W827-K832 HydrophobicContact CG-CG 3.94Å; W827-K832 HydrophobicContact CZ2-CB 4.44Å; W827-K832 HydrophobicContact CZ2-CG 4.22Å; W827-L834 HydrophobicContact CH2-CD2 3.8Å; W827-L834 HydrophobicContact CZ2-CD2 4.26Å; W827-V861 HydrophobicContact CH2-CG1 3.72Å; W827-V861 HydrophobicContact CH2-CG2 4.28Å; W827-V861 HydrophobicContact CZ3-CG1 3.89Å; W827-V861 HydrophobicContact CZ3-CG2 4.33Å; W827-K865 HydrophobicContact CH2-CD 4.04Å; W827-K865 HydrophobicContact CZ2-CB 4.19Å; W827-K865 HydrophobicContact CZ2-CD 3.26Å; W827-K865 HydrophobicContact CZ2-CG 4.36Å; W827-L866 HydrophobicContact CE3-CD2 4.1Å; W827-L866 HydrophobicContact CZ3-CD2 4.3Å | ||
| 828 | H | 86 | Confident | 89.5 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 35% | 0.347 | 27% | 0.27 | S | S | . | . | trans | -109.5 | -27.8 | -176.8 | -71.2 | 90.9 | 0 | 0 | 0 | 113.7 | R826 K865 L866 | R826-H828 PolarHBondContact O-ND1 2.72Å; H828-K865 PolarHBondContact N-O 2.86Å; H828-L866 PolarHBondContact CE1-O 3.13Å; H828-L866 PolarHBondContact ND1-O 3.19Å | ||
| 829 | S | 81.8 | Confident | 89.5 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -153.5 | 149.3 | -178.7 | 73.5 | 0 | 0 | 0 | 0 | 114.6 | W827 R864 K865 | W827-S829 PolarHBondContact NE1-O 2.93Å; S829-R864 PolarHBondContact OG-O 2.67Å; S829-K865 PolarHBondContact N-O 3.1Å |
| 830 | G | 78.8 | Confident | 89.5 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 67% | 0.67 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 75.8 | 177 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | W827 | W827-G830 PolarHBondContact NE1-O 3.25Š|
| 831 | T | 82.8 | Confident | 89.7 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | trans | -71.3 | 154.5 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | W827 K865 | W827-T831 WeakPolarHBondContact CZ2-O 3.35Å; W827-T831 PolarHBondContact NE1-O 3.31Å; T831-K865 PolarHBondContact O-NZ 3.48Å | ||
| 832 | K | 84.5 | Confident | 89.9 | Confident | 90 Ų | 90 | 49.8 Ų | 49.8 | 39% | 0.391 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.7 | 0 | 173 | -70.7 | 176.9 | -176.3 | 171.5 | 0 | 113.5 | L821 D822 W827 | L821-K832 HydrophobicContact CD1-CB 4.33Å; D822-K832 WeakPolarHBondContact OD1-CE 3.23Å; D822-K832 IonicContact OD1-NZ 3.84Å; D822-K832 PolarHBondContact OD1-NZ 3.33Å; D822-K832 IonicContact OD2-NZ 3.08Å; D822-K832 PolarHBondContact OD2-NZ 3.27Å; W827-K832 HydrophobicContact CD2-CG 3.86Å; W827-K832 HydrophobicContact CE3-CG 4.47Å; W827-K832 HydrophobicContact CG-CG 3.94Å; W827-K832 HydrophobicContact CZ2-CB 4.44Å; W827-K832 HydrophobicContact CZ2-CG 4.22Å |
| 833 | S | 84.6 | Confident | 90.3 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 20% | 0.203 | 23% | 0.234 | C | C | . | . | trans | -73.1 | 129.4 | 167.8 | -40.3 | 0 | 0 | 0 | 0 | 109.5 | D797 K865 | D797-S833 WeakPolarHBondContact OD1-CB 3.35Å; D797-S833 WeakPolarHBondContact OD2-CA 3.48Å; D797-S833 WeakPolarHBondContact OD2-CB 3.42Å; S833-K865 PolarHBondContact O-NZ 3.34Å | ||
| 834 | L | 89.6 | Confident | 90.6 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | trans | -109 | 152.1 | -174.7 | -68.3 | -175.1 | 0 | 0 | 0 | 109.5 | D797 L819 L821 W827 Q838 V839 I842 V861 | D797-L834 PolarHBondContact OD2-N 3.09Å; L819-L834 HydrophobicContact CD1-CD1 3.98Å; L821-L834 HydrophobicContact CD1-CD1 4.28Å; L821-L834 HydrophobicContact CD1-CG 4.47Å; L821-L834 HydrophobicContact CD2-CD1 4.22Å; W827-L834 HydrophobicContact CH2-CD2 3.8Å; W827-L834 HydrophobicContact CZ2-CD2 4.26Å; L834-Q838 HydrophobicContact CB-CB 4.13Å; L834-V839 HydrophobicContact CB-CG2 3.82Å; L834-I842 HydrophobicContact CD1-CD1 3.51Å; L834-V861 HydrophobicContact CD1-CG2 4.14Å; L834-V861 HydrophobicContact CD2-CG2 4.2Å | ||
| 835 | T | 91.2 | Very high | 90.9 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | trans | -67.3 | 156.1 | 173.7 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | N837 Q838 V839 | T835-N837 VanDerWaalsContact C-N 3.29Å; T835-N837 VanDerWaalsContact CB-OD1 3.28Å; T835-N837 WeakPolarHBondContact CB-OD1 3.27Å; T835-N837 PolarHBondContact O-N 3.33Å; T835-N837 PolarHBondContact OG1-OD1 2.82Å; T835-Q838 WeakPolarHBondContact O-CB 3.12Å; T835-Q838 PolarHBondContact O-N 2.94Å; T835-Q838 WeakPolarHBondContact OG1-CG 3.08Å; T835-Q838 PolarHBondContact OG1-NE2 2.76Å; T835-Q838 PolarHBondContact OG1-OE1 2.91Å; T835-V839 PolarHBondContact O-N 2.8Å; T835-V839 VanDerWaalsContact O-N 3.09Å | ||
| 836 | L | 94 | Very high | 91.2 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -53.6 | -47.9 | -174.7 | -60.6 | 173.2 | 0 | 0 | 0 | 111.7 | T706 Q709 L710 C713 I792 G793 A794 Q838 V839 I840 | T706-L836 HydrophobicContact CG2-CD1 4.39Å; Q709-L836 HydrophobicContact CB-CB 4.38Å; Q709-L836 HydrophobicContact CB-CD1 4.12Å; Q709-L836 HydrophobicContact CB-CG 4.49Å; Q709-L836 VanDerWaalsContact OE1-N 3.08Å; L710-L836 HydrophobicContact CD2-CD1 4.22Å; L710-L836 HydrophobicContact CG-CD1 4.44Å; C713-L836 WeakPolarHBondContact SG-CB 3.24Å; I792-L836 HydrophobicContact CG2-CD2 3.55Å; G793-L836 VanDerWaalsContact O-CD2 3.28Å; G793-L836 WeakPolarHBondContact O-CD2 3.26Å; A794-L836 HydrophobicContact CB-CD1 4.43Å; L836-Q838 VanDerWaalsContact C-N 3.28Å; L836-Q838 PolarHBondContact O-N 2.92Å; L836-V839 PolarHBondContact O-N 2.78Å; L836-V839 VanDerWaalsContact O-N 3.14Å; L836-I840 WeakPolarHBondContact O-CG1 3.49Å; L836-I840 PolarHBondContact O-N 2.98Å |
| 837 | N | 94.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 29 Ų | 29 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.6 | -29.4 | 179.5 | 61.9 | -39.6 | 0 | 0 | 0 | 113.6 | E712 C713 V716 T835 G841 | E712-N837 HydrophobicContact CB-CB 3.96Å; E712-N837 PolarHBondContact OE2-ND2 3.44Å; C713-N837 VanDerWaalsContact SG-CA 3.58Å; C713-N837 PolarHBondContact SG-N 2.97Å; V716-N837 HydrophobicContact CG2-CB 4.42Å; T835-N837 VanDerWaalsContact C-N 3.29Å; T835-N837 VanDerWaalsContact CB-OD1 3.28Å; T835-N837 WeakPolarHBondContact CB-OD1 3.27Å; T835-N837 PolarHBondContact O-N 3.33Å; T835-N837 PolarHBondContact OG1-OD1 2.82Å; N837-G841 PolarHBondContact O-N 3.38Å |
| 838 | Q | 94.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 31.6 Ų | 31.6 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.2 | -40.9 | 174.7 | -71.4 | 165.1 | 1.4 | 0 | 0 | 110.9 | L834 T835 L836 G841 I842 P862 | L834-Q838 HydrophobicContact CB-CB 4.13Å; T835-Q838 WeakPolarHBondContact O-CB 3.12Å; T835-Q838 PolarHBondContact O-N 2.94Å; T835-Q838 WeakPolarHBondContact OG1-CG 3.08Å; T835-Q838 PolarHBondContact OG1-NE2 2.76Å; T835-Q838 PolarHBondContact OG1-OE1 2.91Å; L836-Q838 VanDerWaalsContact C-N 3.28Å; L836-Q838 PolarHBondContact O-N 2.92Å; Q838-G841 PolarHBondContact O-N 3.05Å; Q838-I842 VanDerWaalsContact O-CG1 3.23Å; Q838-I842 WeakPolarHBondContact O-CG1 3.19Å; Q838-I842 PolarHBondContact O-N 3.32Å; Q838-P862 VanDerWaalsContact NE2-CG 3.28Å |
| 839 | V | 95.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 31 Ų | 31 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.5 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | L773 I792 L819 L834 T835 L836 G841 I842 L843 | L773-V839 HydrophobicContact CD1-CG1 4.09Å; I792-V839 HydrophobicContact CD1-CB 4.26Å; I792-V839 HydrophobicContact CD1-CG1 3.6Å; I792-V839 HydrophobicContact CG1-CG1 4.19Å; L819-V839 HydrophobicContact CD1-CG1 4.25Å; L819-V839 HydrophobicContact CD1-CG2 4.31Å; L834-V839 HydrophobicContact CB-CG2 3.82Å; T835-V839 PolarHBondContact O-N 2.8Å; T835-V839 VanDerWaalsContact O-N 3.09Å; L836-V839 PolarHBondContact O-N 2.78Å; L836-V839 VanDerWaalsContact O-N 3.14Å; V839-G841 PolarHBondContact O-N 3.35Å; V839-I842 PolarHBondContact O-N 2.83Å; V839-L843 HydrophobicContact CG1-CD1 4.36Å; V839-L843 WeakPolarHBondContact O-CG 3.19Å; V839-L843 PolarHBondContact O-N 2.82Å |
| 840 | I | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 178.3 | -60.7 | -176.3 | 0 | 0 | 0 | 111.2 | L688 L690 C713 L726 I792 L836 I842 L843 L844 | L688-I840 HydrophobicContact CD2-CB 4.47Å; L688-I840 HydrophobicContact CD2-CD1 4.22Å; L688-I840 HydrophobicContact CD2-CG1 3.96Å; L688-I840 HydrophobicContact CD2-CG2 4.01Å; L690-I840 HydrophobicContact CD1-CD1 4.18Å; L690-I840 HydrophobicContact CD2-CD1 4.05Å; C713-I840 HydrophobicContact CB-CD1 3.45Å; C713-I840 VanDerWaalsContact CB-CD1 3.45Å; C713-I840 WeakPolarHBondContact SG-CD1 3.49Å; L726-I840 HydrophobicContact CD2-CD1 4.36Å; I792-I840 HydrophobicContact CD1-CG1 3.84Å; L836-I840 WeakPolarHBondContact O-CG1 3.49Å; L836-I840 PolarHBondContact O-N 2.98Å; I840-I842 VanDerWaalsContact C-N 3.29Å; I840-I842 PolarHBondContact O-N 2.87Å; I840-L843 PolarHBondContact O-N 3.5Å; I840-L843 VanDerWaalsContact O-N 3.13Å; I840-L844 HydrophobicContact CG2-CD1 3.66Å; I840-L844 HydrophobicContact CG2-CG 4.07Å; I840-L844 WeakPolarHBondContact O-CB 3.47Å; I840-L844 VanDerWaalsContact O-CG 3.31Å; I840-L844 WeakPolarHBondContact O-CG 3.44Å; I840-L844 PolarHBondContact O-N 3.01Å |
| 841 | G | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | N837 Q838 V839 D845 N860 | N837-G841 PolarHBondContact O-N 3.38Å; Q838-G841 PolarHBondContact O-N 3.05Å; V839-G841 PolarHBondContact O-N 3.35Å; G841-D845 WeakPolarHBondContact O-CB 3.49Å; G841-D845 PolarHBondContact O-N 3.4Å; G841-N860 WeakPolarHBondContact CA-OD1 3.37Å; G841-N860 PolarHBondContact O-ND2 3.17Å |
| 842 | I | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -48.3 | 174.1 | -68.9 | 166.6 | 0 | 0 | 0 | 110.7 | L819 L834 Q838 V839 I840 L844 D845 V846 W853 A856 I857 N860 V861 | L819-I842 HydrophobicContact CD1-CD1 3.88Å; L819-I842 HydrophobicContact CD1-CG2 4.44Å; L819-I842 HydrophobicContact CD2-CG2 4.44Å; L834-I842 HydrophobicContact CD1-CD1 3.51Å; Q838-I842 VanDerWaalsContact O-CG1 3.23Å; Q838-I842 WeakPolarHBondContact O-CG1 3.19Å; Q838-I842 PolarHBondContact O-N 3.32Å; V839-I842 PolarHBondContact O-N 2.83Å; I840-I842 VanDerWaalsContact C-N 3.29Å; I840-I842 PolarHBondContact O-N 2.87Å; I842-L844 VanDerWaalsContact C-N 3.35Å; I842-L844 PolarHBondContact O-N 2.92Å; I842-D845 PolarHBondContact O-N 3.36Å; I842-V846 HydrophobicContact CG2-CG2 4.32Å; I842-V846 WeakPolarHBondContact O-CB 3.39Å; I842-V846 VanDerWaalsContact O-CG2 3.24Å; I842-V846 WeakPolarHBondContact O-CG2 3.42Å; I842-V846 PolarHBondContact O-N 2.79Å; I842-W853 HydrophobicContact CG2-CE3 4.14Å; I842-W853 HydrophobicContact CG2-CZ3 3.88Å; I842-A856 HydrophobicContact CG2-CB 4.37Å; I842-I857 HydrophobicContact CD1-CG1 4.38Å; I842-I857 HydrophobicContact CG2-CG1 4.27Å; I842-N860 HydrophobicContact CD1-CB 4.36Å; I842-N860 HydrophobicContact CG1-CB 3.61Å; I842-V861 HydrophobicContact CD1-CG2 4.21Å |
| 843 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | -179.6 | -65.9 | 174 | 0 | 0 | 0 | 111.6 | L688 F724 L773 L781 V784 I792 L819 V839 I840 V846 V847 | L688-L843 HydrophobicContact CD1-CD1 3.99Å; F724-L843 HydrophobicContact CE2-CB 3.78Å; F724-L843 HydrophobicContact CZ-CB 3.98Å; L773-L843 HydrophobicContact CD1-CD1 3.74Å; L773-L843 HydrophobicContact CD1-CD2 4.38Å; L781-L843 HydrophobicContact CD2-CD2 4.08Å; V784-L843 HydrophobicContact CG2-CD2 3.77Å; I792-L843 HydrophobicContact CD1-CD1 4.33Å; L819-L843 HydrophobicContact CD2-CD2 4.19Å; V839-L843 HydrophobicContact CG1-CD1 4.36Å; V839-L843 WeakPolarHBondContact O-CG 3.19Å; V839-L843 PolarHBondContact O-N 2.82Å; I840-L843 PolarHBondContact O-N 3.5Å; I840-L843 VanDerWaalsContact O-N 3.13Å; L843-V846 PolarHBondContact O-N 3.42Å; L843-V847 VanDerWaalsContact O-CG2 3.31Å; L843-V847 WeakPolarHBondContact O-CG2 3.37Å; L843-V847 PolarHBondContact O-N 2.96Å |
| 844 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 177.5 | -76.3 | 170.6 | 0 | 0 | 0 | 111.8 | V716 N717 H720 V722 F724 I840 I842 V846 V847 Q848 | V716-L844 HydrophobicContact CG1-CD1 3.96Å; N717-L844 HydrophobicContact CB-CD1 4.47Å; N717-L844 WeakPolarHBondContact OD1-CD2 3.39Å; H720-L844 HydrophobicContact CB-CD1 4.06Å; H720-L844 HydrophobicContact CB-CD2 4.19Å; H720-L844 PolarHBondContact CE1-O 3.33Å; H720-L844 VanDerWaalsContact CE1-O 3.22Å; V722-L844 WeakPolarHBondContact O-CD2 3.4Å; F724-L844 HydrophobicContact CD2-CD2 3.39Å; F724-L844 HydrophobicContact CD2-CG 3.88Å; F724-L844 HydrophobicContact CE2-CD2 3.62Å; F724-L844 HydrophobicContact CE2-CG 3.81Å; F724-L844 HydrophobicContact CG-CD2 4.31Å; I840-L844 HydrophobicContact CG2-CD1 3.66Å; I840-L844 HydrophobicContact CG2-CG 4.07Å; I840-L844 WeakPolarHBondContact O-CB 3.47Å; I840-L844 VanDerWaalsContact O-CG 3.31Å; I840-L844 WeakPolarHBondContact O-CG 3.44Å; I840-L844 PolarHBondContact O-N 3.01Å; I842-L844 VanDerWaalsContact C-N 3.35Å; I842-L844 PolarHBondContact O-N 2.92Å; L844-V846 PolarHBondContact O-N 3.42Å; L844-V847 PolarHBondContact O-N 3.31Å; L844-Q848 WeakPolarHBondContact O-CB 3.47Å; L844-Q848 PolarHBondContact O-N 3.07Å |
| 845 | D | 97.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 30.6 Ų | 30.6 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.2 | -36.1 | -178.7 | -77.8 | -34.7 | 0 | 0 | 0 | 112.5 | H720 G841 I842 S849 A856 K859 N860 | H720-D845 IonicContact NE2-OD1 2.71Å; G841-D845 WeakPolarHBondContact O-CB 3.49Å; G841-D845 PolarHBondContact O-N 3.4Å; I842-D845 PolarHBondContact O-N 3.36Å; D845-S849 VanDerWaalsContact O-CB 3.3Å; D845-S849 WeakPolarHBondContact O-CB 3.17Å; D845-S849 PolarHBondContact O-N 3.11Å; D845-S849 PolarHBondContact O-OG 2.75Å; D845-A856 HydrophobicContact CB-CB 3.6Å; D845-K859 IonicContact OD1-NZ 3.9Å; D845-K859 PolarHBondContact OD1-NZ 2.79Å; D845-K859 WeakPolarHBondContact OD2-CD 3.2Å; D845-K859 VanDerWaalsContact OD2-CE 3.28Å; D845-K859 WeakPolarHBondContact OD2-CE 3.48Å; D845-K859 IonicContact OD2-NZ 3.34Å; D845-K859 PolarHBondContact OD2-NZ 2.83Å; D845-N860 PolarHBondContact OD2-ND2 2.86Å |
| 846 | V | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.5 | -42.7 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V784 I842 L843 L844 S849 G850 G851 W853 A856 | V784-V846 HydrophobicContact CG2-CB 4.44Å; V784-V846 HydrophobicContact CG2-CG1 3.96Å; I842-V846 HydrophobicContact CG2-CG2 4.32Å; I842-V846 WeakPolarHBondContact O-CB 3.39Å; I842-V846 VanDerWaalsContact O-CG2 3.24Å; I842-V846 WeakPolarHBondContact O-CG2 3.42Å; I842-V846 PolarHBondContact O-N 2.79Å; L843-V846 PolarHBondContact O-N 3.42Å; L844-V846 PolarHBondContact O-N 3.42Å; V846-S849 WeakPolarHBondContact CA-OG 3.48Å; V846-S849 PolarHBondContact O-N 3.46Å; V846-S849 PolarHBondContact O-OG 3.38Å; V846-S849 VanDerWaalsContact O-OG 3.14Å; V846-G850 PolarHBondContact O-N 3.49Å; V846-G850 VanDerWaalsContact O-N 3.09Å; V846-G851 PolarHBondContact O-N 3.31Å; V846-W853 HydrophobicContact CG1-CD2 4.15Å; V846-W853 HydrophobicContact CG1-CH2 4.28Å; V846-W853 HydrophobicContact CG1-CZ2 3.92Å; V846-W853 HydrophobicContact CG2-CD2 3.73Å; V846-W853 HydrophobicContact CG2-CE3 3.55Å; V846-W853 HydrophobicContact CG2-CG 4.21Å; V846-W853 HydrophobicContact CG2-CH2 4.36Å; V846-W853 HydrophobicContact CG2-CZ3 3.87Å; V846-A856 HydrophobicContact CG2-CB 3.51Å |
| 847 | V | 95.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 28.7 Ų | 28.7 | 29% | 0.291 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -47.4 | 176.5 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | V722 F724 V784 L843 L844 S849 G850 | V722-V847 HydrophobicContact CG1-CG1 4.25Å; F724-V847 HydrophobicContact CE1-CG2 4.27Å; F724-V847 HydrophobicContact CZ-CG2 3.84Å; V784-V847 HydrophobicContact CB-CG2 3.78Å; V784-V847 HydrophobicContact CG1-CG2 3.53Å; V784-V847 HydrophobicContact CG2-CG2 4.27Å; L843-V847 VanDerWaalsContact O-CG2 3.31Å; L843-V847 WeakPolarHBondContact O-CG2 3.37Å; L843-V847 PolarHBondContact O-N 2.96Å; L844-V847 PolarHBondContact O-N 3.31Å; V847-S849 VanDerWaalsContact C-N 3.33Å; V847-S849 PolarHBondContact O-N 3.34Å; V847-G850 PolarHBondContact O-N 2.9Å |
| 848 | Q | 94.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 31 Ų | 31 | 42% | 0.421 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -37.3 | -179.9 | 178.5 | -176.9 | -57.3 | 0 | 0 | 112.9 | H720 V722 L844 G850 | H720-Q848 PolarHBondContact CE1-OE1 3.43Å; H720-Q848 PolarHBondContact NE2-OE1 3.41Å; V722-Q848 HydrophobicContact CG2-CB 4.39Å; V722-Q848 HydrophobicContact CG2-CG 4.43Å; L844-Q848 WeakPolarHBondContact O-CB 3.47Å; L844-Q848 PolarHBondContact O-N 3.07Å; Q848-G850 VanDerWaalsContact C-N 3.32Å |
| 849 | S | 94.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 36 Ų | 36 | 43% | 0.434 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -81.7 | -9.8 | -180 | 58 | 0 | 0 | 0 | 0 | 113.9 | D845 V846 V847 G851 D852 | D845-S849 VanDerWaalsContact O-CB 3.3Å; D845-S849 WeakPolarHBondContact O-CB 3.17Å; D845-S849 PolarHBondContact O-N 3.11Å; D845-S849 PolarHBondContact O-OG 2.75Å; V846-S849 WeakPolarHBondContact CA-OG 3.48Å; V846-S849 PolarHBondContact O-N 3.46Å; V846-S849 PolarHBondContact O-OG 3.38Å; V846-S849 VanDerWaalsContact O-OG 3.14Å; V847-S849 VanDerWaalsContact C-N 3.33Å; V847-S849 PolarHBondContact O-N 3.34Å; S849-G851 VanDerWaalsContact C-N 3.35Å; S849-D852 WeakPolarHBondContact OG-CB 3.48Å; S849-D852 PolarHBondContact OG-N 3.08Å |
| 850 | G | 92.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 77% | 0.773 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 24.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | V846 V847 Q848 | V846-G850 PolarHBondContact O-N 3.49Å; V846-G850 VanDerWaalsContact O-N 3.09Å; V847-G850 PolarHBondContact O-N 2.9Å; Q848-G850 VanDerWaalsContact C-N 3.32Å |
| 851 | G | 92.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 37 Ų | 37 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 124.5 | 10.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V846 S849 W853 | V846-G851 PolarHBondContact O-N 3.31Å; S849-G851 VanDerWaalsContact C-N 3.35Å; G851-W853 VanDerWaalsContact C-N 3.32Å; G851-W853 VanDerWaalsContact O-CD1 3.29Å; G851-W853 PolarHBondContact O-N 2.9Å |
| 852 | D | 95.3 | Very high | 94.8 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | trans | -79.5 | 79.3 | 178.8 | -174.5 | 3.2 | 0 | 0 | 0 | 112.1 | S849 S854 S855 A856 | S849-D852 WeakPolarHBondContact OG-CB 3.48Å; S849-D852 PolarHBondContact OG-N 3.08Å; D852-S854 VanDerWaalsContact C-N 3.28Å; D852-S854 PolarHBondContact O-N 2.78Å; D852-S854 PolarHBondContact OD1-N 3.12Å; D852-S855 VanDerWaalsContact CG-CB 3.49Å; D852-S855 PolarHBondContact OD1-N 2.77Å; D852-S855 VanDerWaalsContact OD1-N 3.1Å; D852-S855 WeakPolarHBondContact OD2-CB 3.26Å; D852-A856 WeakPolarHBondContact O-CB 3.47Å; D852-A856 PolarHBondContact O-N 2.88Å | ||
| 853 | W | 95.9 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.9 | -34.4 | 175.5 | -71.5 | 99.4 | 0 | 0 | 0 | 113.6 | L781 D782 V784 L819 P820 Y824 I842 V846 G851 I857 | L781-W853 HydrophobicContact CB-CH2 4.4Å; L781-W853 HydrophobicContact CD2-CH2 3.89Å; L781-W853 HydrophobicContact CD2-CZ2 4.46Å; L781-W853 HydrophobicContact CG-CH2 4.08Å; L781-W853 HydrophobicContact CG-CZ2 4.23Å; L781-W853 WeakPolarHBondContact O-CZ2 3.33Å; D782-W853 PolarHBondContact O-NE1 3.43Å; V784-W853 HydrophobicContact CG2-CH2 4.08Å; V784-W853 HydrophobicContact CG2-CZ2 4.22Å; L819-W853 HydrophobicContact CD2-CH2 4.4Å; L819-W853 HydrophobicContact CD2-CZ3 3.99Å; P820-W853 HydrophobicContact CG-CD2 3.61Å; P820-W853 HydrophobicContact CG-CE3 3.57Å; P820-W853 HydrophobicContact CG-CG 4.14Å; P820-W853 HydrophobicContact CG-CH2 4.38Å; P820-W853 HydrophobicContact CG-CZ2 4.37Å; P820-W853 HydrophobicContact CG-CZ3 3.99Å; Y824-W853 HydrophobicContact CD1-CB 4.35Å; Y824-W853 HydrophobicContact CD2-CB 3.5Å; Y824-W853 HydrophobicContact CD2-CG 4.24Å; Y824-W853 HydrophobicContact CE1-CB 4.14Å; Y824-W853 HydrophobicContact CE2-CB 3.23Å; Y824-W853 AromaticContact CE2-CD1 3.97Å; Y824-W853 HydrophobicContact CE2-CD2 4.4Å; Y824-W853 AromaticContact CE2-CG 3.58Å; Y824-W853 HydrophobicContact CE2-CG 3.58Å; Y824-W853 HydrophobicContact CG-CB 4.06Å; Y824-W853 AromaticContact CZ-CD1 3.98Å; Y824-W853 AromaticContact CZ-CG 3.96Å; I842-W853 HydrophobicContact CG2-CE3 4.14Å; I842-W853 HydrophobicContact CG2-CZ3 3.88Å; V846-W853 HydrophobicContact CG1-CD2 4.15Å; V846-W853 HydrophobicContact CG1-CH2 4.28Å; V846-W853 HydrophobicContact CG1-CZ2 3.92Å; V846-W853 HydrophobicContact CG2-CD2 3.73Å; V846-W853 HydrophobicContact CG2-CE3 3.55Å; V846-W853 HydrophobicContact CG2-CG 4.21Å; V846-W853 HydrophobicContact CG2-CH2 4.36Å; V846-W853 HydrophobicContact CG2-CZ3 3.87Å; G851-W853 VanDerWaalsContact C-N 3.32Å; G851-W853 VanDerWaalsContact O-CD1 3.29Å; G851-W853 PolarHBondContact O-N 2.9Å; W853-I857 HydrophobicContact CB-CD1 4.35Å; W853-I857 HydrophobicContact CE3-CD1 4.47Å; W853-I857 VanDerWaalsContact O-CB 3.29Å; W853-I857 WeakPolarHBondContact O-CB 3.48Å; W853-I857 WeakPolarHBondContact O-CD1 3.47Å; W853-I857 WeakPolarHBondContact O-CG1 3.32Å; W853-I857 PolarHBondContact O-N 3.09Å |
| 854 | S | 93.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -51.8 | -174.5 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | D852 A856 I857 V858 | D852-S854 VanDerWaalsContact C-N 3.28Å; D852-S854 PolarHBondContact O-N 2.78Å; D852-S854 PolarHBondContact OD1-N 3.12Å; S854-A856 PolarHBondContact O-N 2.84Å; S854-I857 PolarHBondContact O-N 2.79Å; S854-V858 WeakPolarHBondContact O-CB 3.33Å; S854-V858 VanDerWaalsContact O-CG2 3.29Å; S854-V858 WeakPolarHBondContact O-CG2 3.19Å; S854-V858 PolarHBondContact O-N 3.4Å |
| 855 | S | 94.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | D852 I857 V858 K859 | D852-S855 VanDerWaalsContact CG-CB 3.49Å; D852-S855 PolarHBondContact OD1-N 2.77Å; D852-S855 VanDerWaalsContact OD1-N 3.1Å; D852-S855 WeakPolarHBondContact OD2-CB 3.26Å; S855-I857 PolarHBondContact O-N 2.89Å; S855-V858 PolarHBondContact O-N 3.47Å; S855-K859 VanDerWaalsContact O-CB 3.24Å; S855-K859 WeakPolarHBondContact O-CB 3.46Å; S855-K859 PolarHBondContact O-N 2.84Å |
| 856 | A | 96.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I842 D845 V846 D852 S854 N860 | I842-A856 HydrophobicContact CG2-CB 4.37Å; D845-A856 HydrophobicContact CB-CB 3.6Å; V846-A856 HydrophobicContact CG2-CB 3.51Å; D852-A856 WeakPolarHBondContact O-CB 3.47Å; D852-A856 PolarHBondContact O-N 2.88Å; S854-A856 PolarHBondContact O-N 2.84Å; A856-N860 WeakPolarHBondContact O-CB 3.43Å; A856-N860 PolarHBondContact O-N 2.94Å; A856-N860 VanDerWaalsContact O-N 3.16Å; A856-N860 PolarHBondContact O-ND2 2.93Å |
| 857 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -46.1 | 178.9 | -68.8 | 164.9 | 0 | 0 | 0 | 110.5 | L821 Y824 V825 I842 W853 S854 S855 K859 N860 V861 | L821-I857 HydrophobicContact CD2-CD1 4.05Å; L821-I857 HydrophobicContact CD2-CG1 4.05Å; L821-I857 HydrophobicContact CD2-CG2 4.03Å; Y824-I857 HydrophobicContact CD2-CD1 3.82Å; Y824-I857 HydrophobicContact CG-CD1 4.3Å; V825-I857 HydrophobicContact CB-CG2 4.31Å; V825-I857 HydrophobicContact CG1-CB 4.43Å; V825-I857 HydrophobicContact CG1-CG2 3.64Å; V825-I857 HydrophobicContact CG2-CG2 3.63Å; I842-I857 HydrophobicContact CD1-CG1 4.38Å; I842-I857 HydrophobicContact CG2-CG1 4.27Å; W853-I857 HydrophobicContact CB-CD1 4.35Å; W853-I857 HydrophobicContact CE3-CD1 4.47Å; W853-I857 VanDerWaalsContact O-CB 3.29Å; W853-I857 WeakPolarHBondContact O-CB 3.48Å; W853-I857 WeakPolarHBondContact O-CD1 3.47Å; W853-I857 WeakPolarHBondContact O-CG1 3.32Å; W853-I857 PolarHBondContact O-N 3.09Å; S854-I857 PolarHBondContact O-N 2.79Å; S855-I857 PolarHBondContact O-N 2.89Å; I857-K859 VanDerWaalsContact C-N 3.3Å; I857-K859 PolarHBondContact O-N 2.94Å; I857-N860 PolarHBondContact O-N 3.45Å; I857-V861 HydrophobicContact CG2-CB 4.48Å; I857-V861 HydrophobicContact CG2-CG2 3.75Å; I857-V861 WeakPolarHBondContact O-CB 3.01Å; I857-V861 VanDerWaalsContact O-CG2 3.28Å; I857-V861 WeakPolarHBondContact O-CG2 3.24Å; I857-V861 PolarHBondContact O-N 3.13Å |
| 858 | V | 93.2 | Very high | 91.3 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | -179.1 | 171.1 | 0 | 0 | 0 | 0 | 111.9 | V825 S854 S855 | V825-V858 HydrophobicContact CG1-CG2 3.95Å; S854-V858 WeakPolarHBondContact O-CB 3.33Å; S854-V858 VanDerWaalsContact O-CG2 3.29Å; S854-V858 WeakPolarHBondContact O-CG2 3.19Å; S854-V858 PolarHBondContact O-N 3.4Å; S855-V858 PolarHBondContact O-N 3.47Å |
| 859 | K | 94.2 | Very high | 90.1 | Very high | 135 Ų | 135 | 63.5 Ų | 63.5 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 178 | 178 | 174.4 | 160.4 | -157.2 | 0 | 112.4 | D845 S855 I857 | D845-K859 IonicContact OD1-NZ 3.9Å; D845-K859 PolarHBondContact OD1-NZ 2.79Å; D845-K859 WeakPolarHBondContact OD2-CD 3.2Å; D845-K859 VanDerWaalsContact OD2-CE 3.28Å; D845-K859 WeakPolarHBondContact OD2-CE 3.48Å; D845-K859 IonicContact OD2-NZ 3.34Å; D845-K859 PolarHBondContact OD2-NZ 2.83Å; S855-K859 VanDerWaalsContact O-CB 3.24Å; S855-K859 WeakPolarHBondContact O-CB 3.46Å; S855-K859 PolarHBondContact O-N 2.84Å; I857-K859 VanDerWaalsContact C-N 3.3Å; I857-K859 PolarHBondContact O-N 2.94Å |
| 860 | N | 94.6 | Very high | 89.1 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -94.9 | -27.8 | -170.4 | -70.3 | -75.8 | 0 | 0 | 0 | 114 | G841 I842 D845 A856 I857 | G841-N860 WeakPolarHBondContact CA-OD1 3.37Å; G841-N860 PolarHBondContact O-ND2 3.17Å; I842-N860 HydrophobicContact CD1-CB 4.36Å; I842-N860 HydrophobicContact CG1-CB 3.61Å; D845-N860 PolarHBondContact OD2-ND2 2.86Å; A856-N860 WeakPolarHBondContact O-CB 3.43Å; A856-N860 PolarHBondContact O-N 2.94Å; A856-N860 VanDerWaalsContact O-N 3.16Å; A856-N860 PolarHBondContact O-ND2 2.93Å; I857-N860 PolarHBondContact O-N 3.45Å |
| 861 | V | 92.5 | Very high | 88 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -77.5 | 130.8 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | W827 L834 I842 I857 K863 K865 L866 | W827-V861 HydrophobicContact CH2-CG1 3.72Å; W827-V861 HydrophobicContact CH2-CG2 4.28Å; W827-V861 HydrophobicContact CZ3-CG1 3.89Å; W827-V861 HydrophobicContact CZ3-CG2 4.33Å; L834-V861 HydrophobicContact CD1-CG2 4.14Å; L834-V861 HydrophobicContact CD2-CG2 4.2Å; I842-V861 HydrophobicContact CD1-CG2 4.21Å; I857-V861 HydrophobicContact CG2-CB 4.48Å; I857-V861 HydrophobicContact CG2-CG2 3.75Å; I857-V861 WeakPolarHBondContact O-CB 3.01Å; I857-V861 VanDerWaalsContact O-CG2 3.28Å; I857-V861 WeakPolarHBondContact O-CG2 3.24Å; I857-V861 PolarHBondContact O-N 3.13Å; V861-K863 PolarHBondContact O-N 2.81Å; V861-K863 VanDerWaalsContact O-N 3.14Å; V861-K865 HydrophobicContact CG1-CB 4.22Å; V861-L866 HydrophobicContact CB-CD1 4.46Å; V861-L866 HydrophobicContact CG1-CD1 4.34Å; V861-L866 HydrophobicContact CG1-CD2 4.02Å; V861-L866 HydrophobicContact CG1-CG 4.09Å |
| 862 | P | 89.6 | Confident | 87.2 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 20% | 0.195 | 36% | 0.36 | C | S | . | . | trans | -56.6 | 123 | 177.5 | -26.8 | 34.7 | 0 | 0 | 0 | 111.8 | Q838 R864 K865 | Q838-P862 VanDerWaalsContact NE2-CG 3.28Å; P862-R864 HydrophobicContact CB-CG 4.05Å; P862-R864 PolarHBondContact O-N 3.2Å; P862-K865 PolarHBondContact O-N 2.72Å | ||
| 863 | K | 87.3 | Confident | 86.2 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 69% | 0.691 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -46.4 | -35.5 | -179.4 | -64.9 | -173.9 | 179.3 | -176.3 | 0 | 113.7 | V861 K865 L866 I867 | V861-K863 PolarHBondContact O-N 2.81Å; V861-K863 VanDerWaalsContact O-N 3.14Å; K863-K865 PolarHBondContact O-N 3.29Å; K863-K865 VanDerWaalsContact O-N 3.14Å; K863-L866 WeakPolarHBondContact O-CA 3.33Å; K863-L866 PolarHBondContact O-N 2.61Å; K863-I867 HydrophobicContact CB-CD1 4.08Å; K863-I867 WeakPolarHBondContact O-CG1 3.33Å; K863-I867 PolarHBondContact O-N 2.58Å; K863-I867 VanDerWaalsContact O-N 3.11Å |
| 864 | R | 85.6 | Confident | 85.1 | Confident | 155 Ų | 155 | 72.6 Ų | 72.6 | 59% | 0.585 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.5 | -25.4 | 176.9 | 71.8 | -178.9 | -177.6 | -140.3 | -0.6 | 115.1 | S829 P862 | S829-R864 PolarHBondContact OG-O 2.67Å; P862-R864 HydrophobicContact CB-CG 4.05Å; P862-R864 PolarHBondContact O-N 3.2Å |
| 865 | K | 86.8 | Confident | 84.2 | Confident | 25 Ų | 25 | 76.8 Ų | 76.8 | 11% | 0.109 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -80.5 | -21.5 | 176 | -64.7 | -159.9 | -178.5 | -174.4 | 0 | 111.7 | W827 H828 S829 T831 S833 V861 P862 K863 | W827-K865 HydrophobicContact CH2-CD 4.04Å; W827-K865 HydrophobicContact CZ2-CB 4.19Å; W827-K865 HydrophobicContact CZ2-CD 3.26Å; W827-K865 HydrophobicContact CZ2-CG 4.36Å; H828-K865 PolarHBondContact N-O 2.86Å; S829-K865 PolarHBondContact N-O 3.1Å; T831-K865 PolarHBondContact O-NZ 3.48Å; S833-K865 PolarHBondContact O-NZ 3.34Å; V861-K865 HydrophobicContact CG1-CB 4.22Å; P862-K865 PolarHBondContact O-N 2.72Å; K863-K865 PolarHBondContact O-N 3.29Å; K863-K865 VanDerWaalsContact O-N 3.14Å |
| 866 | L | 87.1 | Confident | 83.4 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 18% | 0.183 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -100 | -10.5 | -175.8 | -53.7 | -176.7 | 0 | 0 | 0 | 113.4 | V825 W827 H828 V861 K863 | V825-L866 HydrophobicContact CB-CD2 3.94Å; V825-L866 HydrophobicContact CG1-CD2 4.49Å; V825-L866 HydrophobicContact CG2-CD2 3.9Å; W827-L866 HydrophobicContact CE3-CD2 4.1Å; W827-L866 HydrophobicContact CZ3-CD2 4.3Å; H828-L866 PolarHBondContact CE1-O 3.13Å; H828-L866 PolarHBondContact ND1-O 3.19Å; V861-L866 HydrophobicContact CB-CD1 4.46Å; V861-L866 HydrophobicContact CG1-CD1 4.34Å; V861-L866 HydrophobicContact CG1-CD2 4.02Å; V861-L866 HydrophobicContact CG1-CG 4.09Å; K863-L866 WeakPolarHBondContact O-CA 3.33Å; K863-L866 PolarHBondContact O-N 2.61Å |
| 867 | I | 84.4 | Confident | 82.5 | Confident | 92 Ų | 92 | 83.8 Ų | 83.8 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -110.3 | 137.8 | -178.8 | -58.6 | 166.7 | 0 | 0 | 0 | 109.3 | K863 K869 | K863-I867 HydrophobicContact CB-CD1 4.08Å; K863-I867 WeakPolarHBondContact O-CG1 3.33Å; K863-I867 PolarHBondContact O-N 2.58Å; K863-I867 VanDerWaalsContact O-N 3.11Å; I867-K869 PolarHBondContact O-N 3.14Å |
| 868 | P | 77.8 | Confident | 81.7 | Confident | 95 Ų | 95 | 91.3 Ų | 91.3 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | trans | -54.7 | 130.7 | 170.6 | -21.4 | 30.1 | 0 | 0 | 0 | 111.2 | ||||
| 869 | K | 69.4 | Low | 81 | Confident | 123 Ų | 123 | 92.7 Ų | 92.7 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | trans | -115.7 | 134.8 | -178 | -108.6 | -172.2 | 172.2 | -168 | 0 | 111.5 | I867 T871 | I867-K869 PolarHBondContact O-N 3.14Å; K869-T871 PolarHBondContact O-N 3.16Å | ||
| 870 | N | 72.3 | Confident | 80.5 | Confident | 131 Ų | 131 | 88.1 Ų | 88.1 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | trans | -72.1 | 118.8 | 158.2 | -171.9 | -12.9 | 0 | 0 | 0 | 108.6 | E872 | N870-E872 WeakPolarHBondContact OD1-CB 3.25Å; N870-E872 PolarHBondContact OD1-N 3.43Å | ||
| 871 | T | 69.3 | Low | 79.8 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | trans | -96.9 | -6.2 | -172.8 | 57.6 | 0 | 0 | 0 | 0 | 114 | K869 S874 K875 | K869-T871 PolarHBondContact O-N 3.16Å; T871-S874 PolarHBondContact O-N 2.79Å; T871-S874 PolarHBondContact O-OG 3.24Å; T871-K875 PolarHBondContact O-N 3.34Å | ||
| 872 | E | 76 | Confident | 79.2 | Confident | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -55.4 | -168.8 | -165.9 | 166.1 | -156.2 | 0 | 0 | 113.1 | N870 S874 K875 Q876 | N870-E872 WeakPolarHBondContact OD1-CB 3.25Å; N870-E872 PolarHBondContact OD1-N 3.43Å; E872-S874 VanDerWaalsContact C-N 3.26Å; E872-S874 PolarHBondContact O-N 3.48Å; E872-K875 WeakPolarHBondContact O-CB 3.37Å; E872-K875 PolarHBondContact O-N 2.79Å; E872-K875 VanDerWaalsContact O-N 3.08Å; E872-Q876 PolarHBondContact O-N 2.93Å; E872-Q876 VanDerWaalsContact O-N 3.14Å |
| 873 | C | 73.9 | Confident | 78.9 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.5 | -39 | 176 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | K875 Q876 I877 | C873-K875 VanDerWaalsContact C-N 3.32Å; C873-K875 PolarHBondContact O-N 3.46Å; C873-Q876 PolarHBondContact O-N 3.39Å; C873-I877 WeakPolarHBondContact O-CG1 3.36Å; C873-I877 PolarHBondContact O-N 3.44Å |
| 874 | S | 72.6 | Confident | 78.6 | Confident | 45 Ų | 45 | 96.7 Ų | 96.7 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68 | -30.5 | 179.5 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | T871 E872 R878 | T871-S874 PolarHBondContact O-N 2.79Å; T871-S874 PolarHBondContact O-OG 3.24Å; E872-S874 VanDerWaalsContact C-N 3.26Å; E872-S874 PolarHBondContact O-N 3.48Å; S874-R878 WeakPolarHBondContact O-CG 3.43Å; S874-R878 PolarHBondContact O-N 2.98Å |
| 875 | K | 76.4 | Confident | 78.5 | Confident | 138 Ų | 138 | 90.7 Ų | 90.7 | 60% | 0.6 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.7 | -45.5 | 173.4 | -73 | 179 | 179.3 | 179.7 | 0 | 110.4 | T871 E872 C873 I877 R878 Q879 | T871-K875 PolarHBondContact O-N 3.34Å; E872-K875 WeakPolarHBondContact O-CB 3.37Å; E872-K875 PolarHBondContact O-N 2.79Å; E872-K875 VanDerWaalsContact O-N 3.08Å; C873-K875 VanDerWaalsContact C-N 3.32Å; C873-K875 PolarHBondContact O-N 3.46Å; K875-I877 PolarHBondContact O-N 3.25Å; K875-R878 PolarHBondContact O-N 2.81Å; K875-Q879 PolarHBondContact O-N 2.87Å |
| 876 | Q | 78.1 | Confident | 78.3 | Confident | 129 Ų | 129 | 98.3 Ų | 98.3 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.8 | -45.8 | 176.6 | -69.4 | 173.9 | -10.6 | 0 | 0 | 112.1 | E872 C873 R878 Q879 G880 | E872-Q876 PolarHBondContact O-N 2.93Å; E872-Q876 VanDerWaalsContact O-N 3.14Å; C873-Q876 PolarHBondContact O-N 3.39Å; Q876-R878 VanDerWaalsContact C-N 3.32Å; Q876-R878 PolarHBondContact O-N 3.22Å; Q876-Q879 PolarHBondContact O-N 2.71Å; Q876-G880 PolarHBondContact O-N 3.49Å |
| 877 | I | 77.3 | Confident | 78.1 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.8 | -66.7 | 167.3 | 0 | 0 | 0 | 111.6 | C873 K875 R881 | C873-I877 WeakPolarHBondContact O-CG1 3.36Å; C873-I877 PolarHBondContact O-N 3.44Å; K875-I877 PolarHBondContact O-N 3.25Å; I877-R881 WeakPolarHBondContact O-CG 3.46Å; I877-R881 PolarHBondContact O-N 3.28Å |
| 878 | R | 76.5 | Confident | 77.8 | Confident | 159 Ų | 159 | 98.1 Ų | 98.1 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 176.3 | -74.8 | 176 | -170.5 | 176.8 | 3.3 | 111.1 | S874 K875 Q876 R881 F882 | S874-R878 WeakPolarHBondContact O-CG 3.43Å; S874-R878 PolarHBondContact O-N 2.98Å; K875-R878 PolarHBondContact O-N 2.81Å; Q876-R878 VanDerWaalsContact C-N 3.32Å; Q876-R878 PolarHBondContact O-N 3.22Å; R878-R881 WeakPolarHBondContact O-CB 3.49Å; R878-R881 PolarHBondContact O-N 3.32Å; R878-F882 WeakPolarHBondContact O-CD2 3.43Å; R878-F882 PolarHBondContact O-N 2.72Å |
| 879 | Q | 79.9 | Confident | 77.9 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 178.8 | -170.2 | 58.2 | 38.6 | 0 | 0 | 110.9 | K875 Q876 R881 F882 D883 | K875-Q879 PolarHBondContact O-N 2.87Å; Q876-Q879 PolarHBondContact O-N 2.71Å; Q879-R881 PolarHBondContact O-N 2.84Å; Q879-R881 VanDerWaalsContact O-N 3.16Å; Q879-F882 WeakPolarHBondContact O-CA 3.48Å; Q879-F882 WeakPolarHBondContact O-CB 2.9Å; Q879-F882 PolarHBondContact O-N 3.32Å; Q879-D883 PolarHBondContact NE2-OD1 3.14Å; Q879-D883 VanDerWaalsContact O-CG 3.3Å; Q879-D883 PolarHBondContact O-N 2.98Å |
| 880 | G | 82 | Confident | 78.4 | Confident | 40 Ų | 40 | 92 Ų | 92 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -31.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q876 R884 | Q876-G880 PolarHBondContact O-N 3.49Å; G880-R884 VanDerWaalsContact O-CB 3.23Å; G880-R884 WeakPolarHBondContact O-CB 3.38Å; G880-R884 PolarHBondContact O-N 2.94Å |
| 881 | R | 80.5 | Confident | 78.4 | Confident | 146 Ų | 146 | 89.7 Ų | 89.7 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.3 | -39 | 172.3 | -73.7 | 174.7 | -176.4 | -176.8 | 2.1 | 113 | I877 R878 Q879 M885 | I877-R881 WeakPolarHBondContact O-CG 3.46Å; I877-R881 PolarHBondContact O-N 3.28Å; R878-R881 WeakPolarHBondContact O-CB 3.49Å; R878-R881 PolarHBondContact O-N 3.32Å; Q879-R881 PolarHBondContact O-N 2.84Å; Q879-R881 VanDerWaalsContact O-N 3.16Å; R881-M885 WeakPolarHBondContact O-CB 3.37Å; R881-M885 PolarHBondContact O-N 2.99Å |
| 882 | F | 80.3 | Confident | 78.2 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 54% | 0.535 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 175.3 | -82.8 | -71.7 | 0 | 0 | 0 | 111 | R878 Q879 M885 R886 | R878-F882 WeakPolarHBondContact O-CD2 3.43Å; R878-F882 PolarHBondContact O-N 2.72Å; Q879-F882 WeakPolarHBondContact O-CA 3.48Å; Q879-F882 WeakPolarHBondContact O-CB 2.9Å; Q879-F882 PolarHBondContact O-N 3.32Å; F882-M885 HydrophobicContact CD1-CE 4.19Å; F882-M885 HydrophobicContact CE1-CE 4.47Å; F882-M885 PolarHBondContact O-N 3.31Å; F882-R886 WeakPolarHBondContact O-CB 3.43Å; F882-R886 PolarHBondContact O-N 3.29Å |
| 883 | D | 83.2 | Confident | 77.3 | Confident | 72 Ų | 72 | 90 Ų | 90 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 179.6 | -59.9 | -28.2 | 0 | 0 | 0 | 111 | Q879 M885 R886 Y887 | Q879-D883 PolarHBondContact NE2-OD1 3.14Å; Q879-D883 VanDerWaalsContact O-CG 3.3Å; Q879-D883 PolarHBondContact O-N 2.98Å; D883-M885 PolarHBondContact O-N 3.06Å; D883-R886 PolarHBondContact O-N 3.27Å; D883-Y887 WeakPolarHBondContact O-CB 3.41Å; D883-Y887 PolarHBondContact O-N 3.4Å |
| 884 | R | 82 | Confident | 77.5 | Confident | 65 Ų | 65 | 90.6 Ų | 90.6 | 25% | 0.245 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -54.5 | -48.7 | 171.1 | 175.2 | -172 | 170.1 | -84.1 | 1.6 | 112.2 | D583 S612 G880 R886 Y887 L888 | D583-R884 IonicContact OD1-CZ 2.83Å; D583-R884 IonicContact OD1-NE 3.01Å; D583-R884 IonicContact OD1-NH2 2.87Å; D583-R884 PolarHBondContact OD1-NH2 3.28Å; D583-R884 IonicContact OD2-CZ 2.9Å; D583-R884 IonicContact OD2-NE 3.73Å; D583-R884 PolarHBondContact OD2-NE 3.1Å; D583-R884 IonicContact OD2-NH1 3.46Å; D583-R884 IonicContact OD2-NH2 3.32Å; D583-R884 PolarHBondContact OD2-NH2 3.4Å; S612-R884 PolarHBondContact OG-NH1 2.83Å; G880-R884 VanDerWaalsContact O-CB 3.23Å; G880-R884 WeakPolarHBondContact O-CB 3.38Å; G880-R884 PolarHBondContact O-N 2.94Å; R884-R886 VanDerWaalsContact C-N 3.34Å; R884-R886 PolarHBondContact O-N 3.02Å; R884-Y887 PolarHBondContact O-N 3.03Å; R884-L888 WeakPolarHBondContact O-CG 3.35Å; R884-L888 PolarHBondContact O-N 3.48Å |
| 885 | M | 83 | Confident | 77.7 | Confident | 30 Ų | 30 | 93 Ų | 93 | 15% | 0.148 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.8 | -37.4 | -178.4 | -171 | 175.2 | 62.7 | 0 | 0 | 111.7 | L608 R609 R881 F882 D883 L889 | L608-M885 HydrophobicContact CD2-CG 3.85Å; R609-M885 HydrophobicContact CG-SD 3.64Å; R881-M885 WeakPolarHBondContact O-CB 3.37Å; R881-M885 PolarHBondContact O-N 2.99Å; F882-M885 HydrophobicContact CD1-CE 4.19Å; F882-M885 HydrophobicContact CE1-CE 4.47Å; F882-M885 PolarHBondContact O-N 3.31Å; D883-M885 PolarHBondContact O-N 3.06Å; M885-L889 HydrophobicContact CG-CD1 4.19Å; M885-L889 VanDerWaalsContact O-CG 3.31Å; M885-L889 WeakPolarHBondContact O-CG 3.31Å; M885-L889 PolarHBondContact O-N 3.13Å; M885-L889 VanDerWaalsContact O-N 3.08Å |
| 886 | R | 82.7 | Confident | 77.8 | Confident | 185 Ų | 185 | 90.5 Ų | 90.5 | 70% | 0.698 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.1 | -178 | -176.3 | -89 | 161 | -10.7 | 111.2 | F882 D883 R884 L889 S890 | F882-R886 WeakPolarHBondContact O-CB 3.43Å; F882-R886 PolarHBondContact O-N 3.29Å; D883-R886 PolarHBondContact O-N 3.27Å; R884-R886 VanDerWaalsContact C-N 3.34Å; R884-R886 PolarHBondContact O-N 3.02Å; R886-L889 PolarHBondContact O-N 3.13Å; R886-S890 PolarHBondContact O-N 3.46Å; R886-S890 VanDerWaalsContact O-N 3.08Å; R886-S890 PolarHBondContact O-OG 3.01Å |
| 887 | Y | 81.6 | Confident | 77.8 | Confident | 122 Ų | 122 | 88.2 Ų | 88.2 | 48% | 0.478 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.5 | 172.7 | -101 | 0 | 0 | 0 | 112.6 | D883 R884 S890 M891 | D883-Y887 WeakPolarHBondContact O-CB 3.41Å; D883-Y887 PolarHBondContact O-N 3.4Å; R884-Y887 PolarHBondContact O-N 3.03Å; Y887-S890 PolarHBondContact O-N 3.29Å; Y887-S890 PolarHBondContact O-OG 3.15Å; Y887-M891 HydrophobicContact CD2-CE 4.08Å; Y887-M891 HydrophobicContact CE1-CE 4.41Å; Y887-M891 HydrophobicContact CE2-CE 3.27Å; Y887-M891 VanDerWaalsContact CZ-CE 3.47Å; Y887-M891 WeakPolarHBondContact OH-CE 3.46Å |
| 888 | L | 78.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 177 | -74 | 179.6 | 0 | 0 | 0 | 111.5 | Y579 L582 D583 L608 R884 S890 M891 | Y579-L888 HydrophobicContact CD1-CB 4.05Å; Y579-L888 HydrophobicContact CD1-CD2 4.35Å; Y579-L888 HydrophobicContact CE1-CB 4.22Å; Y579-L888 VanDerWaalsContact CE1-O 3.28Å; Y579-L888 WeakPolarHBondContact CE1-O 3.31Å; L582-L888 HydrophobicContact CB-CD2 3.7Å; L582-L888 HydrophobicContact CD1-CD2 4.11Å; D583-L888 HydrophobicContact CB-CD1 4.15Å; D583-L888 HydrophobicContact CB-CD2 4.19Å; L608-L888 HydrophobicContact CD1-CD1 4.05Å; L608-L888 HydrophobicContact CD2-CB 3.75Å; L608-L888 HydrophobicContact CD2-CD1 4.3Å; R884-L888 WeakPolarHBondContact O-CG 3.35Å; R884-L888 PolarHBondContact O-N 3.48Å; L888-S890 VanDerWaalsContact C-N 3.26Å; L888-S890 PolarHBondContact O-N 2.95Å; L888-M891 PolarHBondContact O-N 3.49Å; L888-M891 VanDerWaalsContact O-N 3.1Å |
| 889 | L | 81.3 | Confident | 77.9 | Confident | 27 Ų | 27 | 83.6 Ų | 83.6 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -59.2 | -37.2 | -180 | -72.4 | 166.2 | 0 | 0 | 0 | 112.4 | K604 T605 L608 M885 R886 M891 V892 D893 | K604-L889 HydrophobicContact CB-CD2 3.96Å; T605-L889 HydrophobicContact CG2-CD1 4.21Å; L608-L889 HydrophobicContact CB-CD2 4.41Å; L608-L889 HydrophobicContact CD2-CD1 4.45Å; L608-L889 HydrophobicContact CD2-CD2 3.87Å; L608-L889 HydrophobicContact CD2-CG 3.71Å; M885-L889 HydrophobicContact CG-CD1 4.19Å; M885-L889 VanDerWaalsContact O-CG 3.31Å; M885-L889 WeakPolarHBondContact O-CG 3.31Å; M885-L889 PolarHBondContact O-N 3.13Å; M885-L889 VanDerWaalsContact O-N 3.08Å; R886-L889 PolarHBondContact O-N 3.13Å; L889-M891 PolarHBondContact O-N 3.07Å; L889-V892 PolarHBondContact O-N 3.34Å; L889-D893 PolarHBondContact O-N 3.34Å |
| 890 | S | 78.4 | Confident | 77.8 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.9 | -9.5 | 179.1 | 58.5 | 0 | 0 | 0 | 0 | 115.2 | R886 Y887 L888 | R886-S890 PolarHBondContact O-N 3.46Å; R886-S890 VanDerWaalsContact O-N 3.08Å; R886-S890 PolarHBondContact O-OG 3.01Å; Y887-S890 PolarHBondContact O-N 3.29Å; Y887-S890 PolarHBondContact O-OG 3.15Å; L888-S890 VanDerWaalsContact C-N 3.26Å; L888-S890 PolarHBondContact O-N 2.95Å |
| 891 | M | 72.9 | Confident | 77.4 | Confident | 83 Ų | 83 | 85.5 Ų | 85.5 | 41% | 0.409 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -91.9 | -16.9 | 178.3 | -67.2 | -64.3 | 176.2 | 0 | 0 | 113.4 | L578 L582 Y887 L888 L889 | L578-M891 HydrophobicContact CD2-CB 4.37Å; L578-M891 WeakPolarHBondContact CD2-O 3.35Å; L582-M891 HydrophobicContact CD1-CB 3.72Å; L582-M891 HydrophobicContact CD1-CG 3.75Å; Y887-M891 HydrophobicContact CD2-CE 4.08Å; Y887-M891 HydrophobicContact CE1-CE 4.41Å; Y887-M891 HydrophobicContact CE2-CE 3.27Å; Y887-M891 VanDerWaalsContact CZ-CE 3.47Å; Y887-M891 WeakPolarHBondContact OH-CE 3.46Å; L888-M891 PolarHBondContact O-N 3.49Å; L888-M891 VanDerWaalsContact O-N 3.1Å; L889-M891 PolarHBondContact O-N 3.07Å |
| 892 | V | 64.6 | Low | 77.2 | Confident | 33 Ų | 33 | 80.4 Ų | 80.4 | 20% | 0.2 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -100.9 | -14.6 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | E575 L578 Y579 K604 L889 | E575-V892 HydrophobicContact CG-CG1 3.85Å; L578-V892 HydrophobicContact CD2-CG2 3.51Å; Y579-V892 HydrophobicContact CD1-CG2 3.88Å; Y579-V892 HydrophobicContact CE1-CB 4.06Å; Y579-V892 HydrophobicContact CE1-CG2 3.19Å; Y579-V892 HydrophobicContact CE2-CG2 4.31Å; Y579-V892 VanDerWaalsContact CZ-CG2 3.44Å; K604-V892 HydrophobicContact CD-CG1 3.85Å; K604-V892 PolarHBondContact NZ-O 2.98Å; L889-V892 PolarHBondContact O-N 3.34Å |
| 893 | D | 57.8 | Low | 76.9 | Confident | 163 Ų | 163 | 76.6 Ų | 76.6 | 87% | 0.872 | 37% | 0.365 | S | S | * | . | trans | -79.7 | 0 | 165.7 | -68 | -22.3 | 0 | 0 | 0 | 109.1 | K604 L889 | K604-D893 IonicContact NZ-OD1 3.4Å; K604-D893 PolarHBondContact NZ-OD1 2.94Å; L889-D893 PolarHBondContact O-N 3.34Å |
Retrieved 893 of 893 residues in 1687.3 ms
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