| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.2 | Very low | 77.8 | Confident | 245 Ų | 245 | 81.9 Ų | 81.9 | 100% | 1.207 | 46% | 0.458 | S | S | * | . | 0 | 113.8 | 0 | -66 | 176.2 | -163.9 | 0 | 0 | 107.7 | A3 | M1-A3 PolarHBondContact O-N 3.3Š| |||
| 2 | S | 44.3 | Very low | 79.2 | Confident | 121 Ų | 121 | 75.5 Ų | 75.5 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 122.9 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | V4 | S2-V4 PolarHBondContact O-N 3.05Š|
| 3 | A | 58.1 | Low | 80.4 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 124.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 Q5 T34 | M1-A3 PolarHBondContact O-N 3.3Å; A3-Q5 PolarHBondContact O-N 2.99Å; A3-Q5 VanDerWaalsContact O-N 3.12Å; A3-T34 HydrophobicContact CB-CG2 4.08Å |
| 4 | V | 76.5 | Confident | 81.2 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 62% | 0.618 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -57 | 119.1 | 179 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | S2 | S2-V4 PolarHBondContact O-N 3.05Š|
| 5 | Q | 84.5 | Confident | 81.5 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.1 | 178.1 | 177.9 | 177.8 | -47.1 | 0 | 0 | 109.2 | A3 V32 | A3-Q5 PolarHBondContact O-N 2.99Å; A3-Q5 VanDerWaalsContact O-N 3.12Å; Q5-V32 HydrophobicContact CG-CG1 3.85Å |
| 6 | L | 87.6 | Confident | 81.3 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 27% | 0.272 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -40.9 | -179.1 | -61.3 | 177.8 | 0 | 0 | 0 | 111.9 | L33 K35 M105 E109 | L6-L33 HydrophobicContact CB-CD2 4.49Å; L6-L33 HydrophobicContact CB-CG 4.3Å; L6-L33 HydrophobicContact CD1-CG 4.37Å; L6-L33 PolarHBondContact N-O 3.4Å; L6-K35 HydrophobicContact CD1-CG 3.96Å; L6-K35 HydrophobicContact CD2-CG 4.2Å; L6-K35 HydrophobicContact CG-CG 4.31Å; L6-M105 HydrophobicContact CB-CE 4.34Å; L6-E109 HydrophobicContact CD1-CG 3.88Å |
| 7 | L | 92.9 | Very high | 80.6 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 141.5 | -178.2 | -164.2 | 60.1 | 0 | 0 | 0 | 109.8 | V32 L33 L101 W102 M105 | L7-V32 WeakPolarHBondContact O-CA 3.14Å; L7-L33 HydrophobicContact CB-CB 4.04Å; L7-L33 HydrophobicContact CB-CD2 4.39Å; L7-L33 PolarHBondContact N-O 3.39Å; L7-L33 PolarHBondContact O-N 3.07Å; L7-L101 HydrophobicContact CD1-CD2 4.05Å; L7-L101 HydrophobicContact CD2-CG 4.37Å; L7-W102 HydrophobicContact CB-CH2 4.11Å; L7-W102 HydrophobicContact CB-CZ2 4.24Å; L7-W102 HydrophobicContact CB-CZ3 4.46Å; L7-W102 HydrophobicContact CD2-CD2 3.38Å; L7-W102 HydrophobicContact CD2-CE3 3.76Å; L7-W102 HydrophobicContact CD2-CG 3.81Å; L7-W102 HydrophobicContact CD2-CH2 4.06Å; L7-W102 HydrophobicContact CD2-CZ2 3.71Å; L7-W102 HydrophobicContact CD2-CZ3 4.09Å; L7-W102 HydrophobicContact CG-CD2 4.27Å; L7-W102 HydrophobicContact CG-CH2 4Å; L7-W102 HydrophobicContact CG-CZ2 3.63Å; L7-W102 HydrophobicContact CG-CZ3 4.46Å; L7-M105 HydrophobicContact CD2-CG 4.41Å |
| 8 | Q | 92.7 | Very high | 79.9 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 130.4 | 171.4 | 174.2 | -174.4 | -83.8 | 0 | 0 | 110 | V30 F31 V32 | Q8-V30 HydrophobicContact CG-CG1 3.81Å; Q8-F31 WeakPolarHBondContact CA-O 3.32Å; Q8-V32 HydrophobicContact CB-CG2 4.44Å; Q8-V32 HydrophobicContact CG-CG2 4.03Å |
| 9 | E | 93.6 | Very high | 79.2 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 23% | 0.229 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 152.8 | 178.5 | -163.2 | 173.2 | 173.8 | 0 | 0 | 109.9 | L11 F31 P94 S98 W102 | E9-L11 HydrophobicContact CB-CD2 4.06Å; E9-L11 HydrophobicContact CB-CG 4.32Å; E9-L11 HydrophobicContact CG-CD2 3.9Å; E9-F31 PolarHBondContact N-O 3.01Å; E9-F31 VanDerWaalsContact N-O 3.09Å; E9-F31 PolarHBondContact O-N 2.91Å; E9-P94 WeakPolarHBondContact OE1-CD 3.49Å; E9-P94 WeakPolarHBondContact OE1-CG 3.11Å; E9-S98 WeakPolarHBondContact OE1-CB 3.29Å; E9-S98 PolarHBondContact OE1-OG 2.81Å; E9-S98 PolarHBondContact OE2-OG 2.94Å; E9-W102 HydrophobicContact CB-CZ2 3.78Å; E9-W102 PolarHBondContact OE2-NE1 3.23Å |
| 10 | T | 93.1 | Very high | 78.2 | Confident | 60 Ų | 60 | 78.5 Ų | 78.5 | 37% | 0.368 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.7 | 170.7 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | E28 R29 | T10-E28 HydrophobicContact CG2-CG 3.17Å; T10-E28 WeakPolarHBondContact CG2-OE1 3.46Å; T10-R29 WeakPolarHBondContact CA-O 3.21Å |
| 11 | L | 94.8 | Very high | 77.3 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 159.8 | -178.2 | -48.6 | 172.5 | 0 | 0 | 0 | 110.2 | E9 R29 F31 F80 V91 A93 W102 | E9-L11 HydrophobicContact CB-CD2 4.06Å; E9-L11 HydrophobicContact CB-CG 4.32Å; E9-L11 HydrophobicContact CG-CD2 3.9Å; L11-R29 PolarHBondContact N-O 3.05Å; L11-R29 PolarHBondContact O-N 2.68Å; L11-R29 VanDerWaalsContact O-O 3.06Å; L11-F31 HydrophobicContact CB-CD2 3.66Å; L11-F31 HydrophobicContact CB-CE2 3.93Å; L11-F31 HydrophobicContact CD1-CB 3.99Å; L11-F31 HydrophobicContact CD1-CD2 3.91Å; L11-F31 HydrophobicContact CD1-CG 3.95Å; L11-F31 HydrophobicContact CG-CB 4.45Å; L11-F31 HydrophobicContact CG-CD2 4.03Å; L11-F31 HydrophobicContact CG-CG 4.47Å; L11-F80 HydrophobicContact CD1-CE1 4.36Å; L11-F80 HydrophobicContact CD1-CZ 4.19Å; L11-V91 HydrophobicContact CB-CG1 3.66Å; L11-V91 HydrophobicContact CD1-CG1 3.56Å; L11-V91 HydrophobicContact CG-CG1 4.25Å; L11-A93 HydrophobicContact CD2-CB 4.2Å; L11-W102 HydrophobicContact CD1-CD2 3.96Å; L11-W102 HydrophobicContact CD1-CG 4.32Å; L11-W102 HydrophobicContact CD1-CZ2 3.96Å |
| 12 | I | 94.9 | Very high | 78.7 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.9 | 175.5 | -63.4 | 178.7 | 0 | 0 | 0 | 109.7 | Y26 C74 Q75 N76 V91 F92 | I12-Y26 HydrophobicContact CG2-CD1 4.13Å; I12-Y26 HydrophobicContact CG2-CG 4.47Å; I12-C74 HydrophobicContact CD1-CB 3.87Å; I12-C74 HydrophobicContact CG2-CB 4.09Å; I12-Q75 HydrophobicContact CD1-CG 3.75Å; I12-N76 HydrophobicContact CD1-CB 4.01Å; I12-N76 HydrophobicContact CG1-CB 4.35Å; I12-V91 CarbonylContact O-C 3.49Å; I12-V91 WeakPolarHBondContact O-CA 3.3Å; I12-F92 HydrophobicContact CB-CB 4.15Å; I12-F92 PolarHBondContact N-O 3.46Å; I12-F92 PolarHBondContact O-N 2.88Å |
| 13 | K | 94.5 | Very high | 79.8 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 11% | 0.113 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126 | 175 | 179.1 | -179.7 | 177.5 | -48.9 | 0 | 110.2 | K27 R29 F31 Y40 L89 | K13-K27 PolarHBondContact N-O 2.87Å; K13-K27 PolarHBondContact O-N 2.84Å; K13-R29 HydrophobicContact CB-CG 4.08Å; K13-F31 HydrophobicContact CB-CE2 4.12Å; K13-F31 HydrophobicContact CB-CZ 3.96Å; K13-F31 HydrophobicContact CD-CZ 4.4Å; K13-F31 HydrophobicContact CG-CZ 4.34Å; K13-Y40 HydrophobicContact CD-CD2 3.95Å; K13-Y40 HydrophobicContact CD-CE1 4.39Å; K13-Y40 HydrophobicContact CD-CE2 3.65Å; K13-Y40 HydrophobicContact CD-CG 4.44Å; K13-Y40 VanDerWaalsContact CE-OH 3.31Å; K13-Y40 WeakPolarHBondContact CE-OH 3.46Å; K13-L89 HydrophobicContact CD-CD1 3.9Å; K13-L89 HydrophobicContact CG-CD1 3.73Å |
| 14 | R | 92.4 | Very high | 80.9 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.015 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 147 | 168.3 | 178.9 | -178.8 | -179.1 | -139.3 | -13.5 | 111.1 | L24 N25 Y26 Y90 F92 W125 | R14-L24 HydrophobicContact CG-CD1 3.99Å; R14-L24 HydrophobicContact CG-CG 4.36Å; R14-L24 VanDerWaalsContact NH2-CD1 3.34Å; R14-N25 CarbonylContact C-O 3.41Å; R14-N25 WeakPolarHBondContact CA-O 3.44Å; R14-Y26 HydrophobicContact CB-CD1 4.01Å; R14-Y26 HydrophobicContact CB-CE1 3.85Å; R14-Y26 WeakPolarHBondContact CD-OH 3.39Å; R14-Y26 HydrophobicContact CG-CD1 4.33Å; R14-Y26 HydrophobicContact CG-CE1 3.81Å; R14-Y26 HydrophobicContact CG-CE2 4.37Å; R14-Y26 PolarHBondContact NE-OH 3.06Å; R14-Y90 PolarHBondContact N-O 2.86Å; R14-F92 HydrophobicContact CB-CD2 4.5Å; R14-F92 HydrophobicContact CB-CE2 3.7Å; R14-W125 PolarHBondContact NH2-O 3.43Å |
| 15 | S | 85.7 | Confident | 81.3 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 18% | 0.182 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 141.6 | 175 | 78.4 | 0 | 0 | 0 | 0 | 109.4 | Q17 P23 L24 N25 | S15-Q17 PolarHBondContact O-N 2.96Å; S15-P23 PolarHBondContact OG-O 3.29Å; S15-L24 WeakPolarHBondContact OG-CA 3.05Å; S15-N25 PolarHBondContact N-O 3.41Å; S15-N25 PolarHBondContact OG-N 3.5Å |
| 16 | Q | 78 | Confident | 81.6 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | trans | -82.1 | -1.5 | -175.6 | -64.6 | 178.4 | -54.9 | 0 | 0 | 112.9 | K18 Y84 T88 K138 | Q16-K18 PolarHBondContact O-N 2.83Å; Q16-Y84 PolarHBondContact NE2-OH 3.45Å; Q16-T88 WeakPolarHBondContact CG-O 3.45Å; Q16-K138 PolarHBondContact O-NZ 2.89Å | ||
| 17 | Q | 69.6 | Low | 81.8 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 18% | 0.178 | 33% | 0.332 | C | S | . | . | trans | 41.2 | 68.9 | -174.4 | -64.4 | -176.2 | -53.5 | 0 | 0 | 112 | S15 K19 S22 L24 K138 | S15-Q17 PolarHBondContact O-N 2.96Å; Q17-K19 PolarHBondContact O-N 2.82Å; Q17-S22 PolarHBondContact NE2-O 2.89Å; Q17-L24 HydrophobicContact CG-CD1 3.7Å; Q17-K138 PolarHBondContact O-NZ 2.93Å | ||
| 18 | K | 67.2 | Low | 81.8 | Confident | 164 Ų | 164 | 72 Ų | 72 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -66.5 | -22.2 | 178.8 | -65.8 | -171.4 | 178 | -175 | 0 | 112.5 | Q16 | Q16-K18 PolarHBondContact O-N 2.83Š|
| 19 | K | 66.7 | Low | 81.8 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 65% | 0.652 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -124.3 | 148.5 | 169.7 | -57.7 | 179.9 | 177.7 | -177.4 | 0 | 109 | Q17 T21 S22 | Q17-K19 PolarHBondContact O-N 2.82Å; K19-T21 PolarHBondContact O-N 3.17Å; K19-S22 VanDerWaalsContact O-CB 3.31Å; K19-S22 WeakPolarHBondContact O-CB 3.46Å; K19-S22 PolarHBondContact O-N 3.06Å; K19-S22 PolarHBondContact O-OG 3.5Å |
| 20 | R | 58.9 | Low | 81.8 | Confident | 233 Ų | 233 | 67.6 Ų | 67.6 | 88% | 0.879 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.2 | -178.6 | -158.7 | 172.3 | 97.6 | 179.1 | 6.7 | 113.1 | ||
| 21 | T | 60.8 | Low | 81.9 | Confident | 131 Ų | 131 | 64.8 Ų | 64.8 | 80% | 0.804 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1 | 178.3 | 54 | 0 | 0 | 0 | 0 | 114.1 | K19 | K19-T21 PolarHBondContact O-N 3.17Š|
| 22 | S | 66.8 | Low | 81.8 | Confident | 39 Ų | 39 | 65.3 Ų | 65.3 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -74.5 | 130.3 | -179.3 | -64.8 | 0 | 0 | 0 | 0 | 110.9 | Q17 K19 | Q17-S22 PolarHBondContact NE2-O 2.89Å; K19-S22 VanDerWaalsContact O-CB 3.31Å; K19-S22 WeakPolarHBondContact O-CB 3.46Å; K19-S22 PolarHBondContact O-N 3.06Å; K19-S22 PolarHBondContact O-OG 3.5Å |
| 23 | P | 67.4 | Low | 81.8 | Confident | 87 Ų | 87 | 65.1 Ų | 65.1 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | trans | -62.3 | 146.4 | -177.9 | 24.7 | -33.7 | 0 | 0 | 0 | 111.5 | S15 N25 | S15-P23 PolarHBondContact OG-O 3.29Å; P23-N25 PolarHBondContact O-N 2.9Å | ||
| 24 | L | 80.1 | Confident | 81.7 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | trans | -84.4 | 99 | 177.5 | -162.8 | 73.9 | 0 | 0 | 0 | 109.7 | R14 S15 Q17 Y26 L126 | R14-L24 HydrophobicContact CG-CD1 3.99Å; R14-L24 HydrophobicContact CG-CG 4.36Å; R14-L24 VanDerWaalsContact NH2-CD1 3.34Å; S15-L24 WeakPolarHBondContact OG-CA 3.05Å; Q17-L24 HydrophobicContact CG-CD1 3.7Å; L24-Y26 HydrophobicContact CD2-CE2 3.94Å; L24-Y26 HydrophobicContact CG-CE2 3.96Å; L24-L126 HydrophobicContact CD2-CD1 3.98Å | ||
| 25 | N | 84.6 | Confident | 81.6 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -109.8 | 142.2 | -174.8 | -65.8 | -24.6 | 0 | 0 | 0 | 110.8 | R14 S15 P23 | R14-N25 CarbonylContact C-O 3.41Å; R14-N25 WeakPolarHBondContact CA-O 3.44Å; S15-N25 PolarHBondContact N-O 3.41Å; S15-N25 PolarHBondContact OG-N 3.5Å; P23-N25 PolarHBondContact O-N 2.9Å | ||
| 26 | Y | 91.7 | Very high | 81.7 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 22% | 0.22 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.6 | 174.9 | -65.7 | -102.2 | 0 | 0 | 0 | 107.4 | I12 R14 L24 P73 C74 F92 | I12-Y26 HydrophobicContact CG2-CD1 4.13Å; I12-Y26 HydrophobicContact CG2-CG 4.47Å; R14-Y26 HydrophobicContact CB-CD1 4.01Å; R14-Y26 HydrophobicContact CB-CE1 3.85Å; R14-Y26 WeakPolarHBondContact CD-OH 3.39Å; R14-Y26 HydrophobicContact CG-CD1 4.33Å; R14-Y26 HydrophobicContact CG-CE1 3.81Å; R14-Y26 HydrophobicContact CG-CE2 4.37Å; R14-Y26 PolarHBondContact NE-OH 3.06Å; L24-Y26 HydrophobicContact CD2-CE2 3.94Å; L24-Y26 HydrophobicContact CG-CE2 3.96Å; Y26-P73 HydrophobicContact CD2-CG 4Å; Y26-P73 HydrophobicContact CE1-CG 4.16Å; Y26-P73 HydrophobicContact CE2-CG 3.38Å; Y26-P73 VanDerWaalsContact CZ-CG 3.45Å; Y26-C74 HydrophobicContact CD1-CB 3.84Å; Y26-C74 HydrophobicContact CG-CB 4.04Å; Y26-F92 HydrophobicContact CD1-CD2 4.36Å; Y26-F92 HydrophobicContact CD1-CE2 4.08Å; Y26-F92 HydrophobicContact CD1-CZ 4.39Å; Y26-F92 HydrophobicContact CE1-CD2 4.36Å; Y26-F92 HydrophobicContact CE1-CE1 4.26Å; Y26-F92 AromaticContact CE1-CE2 3.68Å; Y26-F92 HydrophobicContact CE1-CE2 3.68Å; Y26-F92 AromaticContact CE1-CZ 3.62Å; Y26-F92 HydrophobicContact CE1-CZ 3.62Å |
| 27 | K | 90.6 | Very high | 82.5 | Confident | 103 Ų | 103 | 77.1 Ų | 77.1 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 131 | -176.6 | -62.8 | -164 | 174.6 | -163.8 | 0 | 110.6 | K13 R29 | K13-K27 PolarHBondContact N-O 2.87Å; K13-K27 PolarHBondContact O-N 2.84Å; K27-R29 VanDerWaalsContact CD-NH2 3.29Å |
| 28 | E | 93.1 | Very high | 83.7 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.2 | 172.6 | -169.7 | 174.3 | -130.9 | 0 | 0 | 110.5 | T10 | T10-E28 HydrophobicContact CG2-CG 3.17Å; T10-E28 WeakPolarHBondContact CG2-OE1 3.46Å |
| 29 | R | 93.2 | Very high | 85 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 142.4 | -178.4 | -62.1 | -65.8 | 177.7 | -115.2 | 18.4 | 109.7 | T10 L11 K13 K27 F31 Y40 Y41 E42 | T10-R29 WeakPolarHBondContact CA-O 3.21Å; L11-R29 PolarHBondContact N-O 3.05Å; L11-R29 PolarHBondContact O-N 2.68Å; L11-R29 VanDerWaalsContact O-O 3.06Å; K13-R29 HydrophobicContact CB-CG 4.08Å; K27-R29 VanDerWaalsContact CD-NH2 3.29Å; R29-F31 HydrophobicContact CB-CD2 4.08Å; R29-F31 HydrophobicContact CB-CE2 3.77Å; R29-F31 WeakPolarHBondContact O-CD2 3.44Å; R29-F31 PolarHBondContact O-N 3Å; R29-Y40 HydrophobicContact CG-CD2 4.39Å; R29-Y41 WeakPolarHBondContact CA-O 3.29Å; R29-Y41 WeakPolarHBondContact CB-O 3.36Å; R29-Y41 WeakPolarHBondContact CD-O 3.47Å; R29-E42 IonicContact CZ-OE1 2.75Å; R29-E42 VanDerWaalsContact CZ-OE1 3.26Å; R29-E42 IonicContact NH1-OE1 3.22Å; R29-E42 PolarHBondContact NH1-OE1 3.3Å; R29-E42 VanDerWaalsContact NH1-OE1 3.16Å; R29-E42 IonicContact NH2-OE1 2.78Å; R29-E42 PolarHBondContact NH2-OE1 2.75Å |
| 30 | V | 93.1 | Very high | 86.3 | Confident | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 110.5 | 168.7 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | Q8 V32 Y40 Y41 | Q8-V30 HydrophobicContact CG-CG1 3.81Å; V30-V32 HydrophobicContact CG1-CG2 4.41Å; V30-Y40 VanDerWaalsContact O-CA 3.3Å; V30-Y40 WeakPolarHBondContact O-CA 3.15Å; V30-Y41 PolarHBondContact N-O 3.15Å; V30-Y41 VanDerWaalsContact N-O 3.15Å; V30-Y41 PolarHBondContact O-N 2.89Å |
| 31 | F | 95 | Very high | 87.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 138.4 | 173.9 | -79.3 | -101.1 | 0 | 0 | 0 | 109.9 | Q8 E9 L11 K13 R29 L38 T39 Y40 L89 V91 W102 | Q8-F31 WeakPolarHBondContact CA-O 3.32Å; E9-F31 PolarHBondContact N-O 3.01Å; E9-F31 VanDerWaalsContact N-O 3.09Å; E9-F31 PolarHBondContact O-N 2.91Å; L11-F31 HydrophobicContact CB-CD2 3.66Å; L11-F31 HydrophobicContact CB-CE2 3.93Å; L11-F31 HydrophobicContact CD1-CB 3.99Å; L11-F31 HydrophobicContact CD1-CD2 3.91Å; L11-F31 HydrophobicContact CD1-CG 3.95Å; L11-F31 HydrophobicContact CG-CB 4.45Å; L11-F31 HydrophobicContact CG-CD2 4.03Å; L11-F31 HydrophobicContact CG-CG 4.47Å; K13-F31 HydrophobicContact CB-CE2 4.12Å; K13-F31 HydrophobicContact CB-CZ 3.96Å; K13-F31 HydrophobicContact CD-CZ 4.4Å; K13-F31 HydrophobicContact CG-CZ 4.34Å; R29-F31 HydrophobicContact CB-CD2 4.08Å; R29-F31 HydrophobicContact CB-CE2 3.77Å; R29-F31 WeakPolarHBondContact O-CD2 3.44Å; R29-F31 PolarHBondContact O-N 3Å; F31-L38 HydrophobicContact CD1-CD1 3.96Å; F31-L38 HydrophobicContact CD1-CD2 4.49Å; F31-L38 HydrophobicContact CD1-CG 4.22Å; F31-T39 CarbonylContact C-O 3.54Å; F31-T39 WeakPolarHBondContact CA-O 3.48Å; F31-Y40 HydrophobicContact CD1-CD1 4.33Å; F31-Y40 HydrophobicContact CD1-CG 4.49Å; F31-Y40 AromaticContact CE1-CD1 3.76Å; F31-Y40 HydrophobicContact CE1-CD1 3.76Å; F31-Y40 HydrophobicContact CE1-CG 4.04Å; F31-Y40 HydrophobicContact CZ-CD1 4.25Å; F31-Y40 HydrophobicContact CZ-CG 4.2Å; F31-L89 HydrophobicContact CE1-CD2 4.25Å; F31-V91 HydrophobicContact CE1-CG2 4.08Å; F31-V91 HydrophobicContact CE2-CG1 4.07Å; F31-V91 HydrophobicContact CZ-CG1 4.02Å; F31-V91 HydrophobicContact CZ-CG2 3.92Å; F31-W102 HydrophobicContact CB-CH2 3.75Å; F31-W102 HydrophobicContact CB-CZ2 4.14Å; F31-W102 HydrophobicContact CB-CZ3 4.39Å |
| 32 | V | 94 | Very high | 88.9 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 117.3 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | Q5 L7 Q8 V30 T34 T39 Y41 | Q5-V32 HydrophobicContact CG-CG1 3.85Å; L7-V32 WeakPolarHBondContact O-CA 3.14Å; Q8-V32 HydrophobicContact CB-CG2 4.44Å; Q8-V32 HydrophobicContact CG-CG2 4.03Å; V30-V32 HydrophobicContact CG1-CG2 4.41Å; V32-T34 HydrophobicContact CG1-CG2 4.42Å; V32-T39 PolarHBondContact N-O 3.27Å; V32-T39 PolarHBondContact O-N 2.9Å; V32-Y41 HydrophobicContact CB-CE2 4.14Å; V32-Y41 HydrophobicContact CG2-CD2 4.03Å; V32-Y41 HydrophobicContact CG2-CE2 3.69Å |
| 33 | L | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128 | 172.7 | -177.4 | 59.4 | 0 | 0 | 0 | 109.5 | L6 L7 L38 L56 W102 M105 L106 | L6-L33 HydrophobicContact CB-CD2 4.49Å; L6-L33 HydrophobicContact CB-CG 4.3Å; L6-L33 HydrophobicContact CD1-CG 4.37Å; L6-L33 PolarHBondContact N-O 3.4Å; L7-L33 HydrophobicContact CB-CB 4.04Å; L7-L33 HydrophobicContact CB-CD2 4.39Å; L7-L33 PolarHBondContact N-O 3.39Å; L7-L33 PolarHBondContact O-N 3.07Å; L33-L38 HydrophobicContact CB-CD1 4.39Å; L33-L38 HydrophobicContact CD1-CB 4.41Å; L33-L38 HydrophobicContact CD1-CD1 4.33Å; L33-L56 HydrophobicContact CD1-CD1 3.92Å; L33-L56 HydrophobicContact CD1-CD2 3.83Å; L33-L56 HydrophobicContact CD1-CG 4.45Å; L33-W102 HydrophobicContact CB-CH2 4.22Å; L33-W102 HydrophobicContact CB-CZ3 3.87Å; L33-M105 HydrophobicContact CD2-CB 4.05Å; L33-L106 HydrophobicContact CD1-CD2 3.62Å; L33-L106 HydrophobicContact CD2-CD2 4.16Å; L33-L106 HydrophobicContact CD2-CG 4.31Å |
| 34 | T | 93 | Very high | 88.5 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.104 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 170.7 | 168 | 71.4 | 0 | 0 | 0 | 0 | 109 | A3 V32 T36 R37 L56 | A3-T34 HydrophobicContact CB-CG2 4.08Å; V32-T34 HydrophobicContact CG1-CG2 4.42Å; T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 PolarHBondContact OG1-N 3.2Å; T34-R37 PolarHBondContact N-O 2.81Å; T34-R37 PolarHBondContact O-N 3.23Å; T34-R37 PolarHBondContact OG1-N 3.09Å; T34-R37 VanDerWaalsContact OG1-N 3.13Å; T34-R37 PolarHBondContact OG1-O 2.97Å; T34-L56 VanDerWaalsContact O-CD1 3.28Å; T34-L56 WeakPolarHBondContact O-CD1 3.27Å |
| 35 | K | 88.8 | Confident | 87.1 | Confident | 141 Ų | 141 | 56.7 Ų | 56.7 | 61% | 0.613 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -57 | -13.9 | 176 | -71 | -165.7 | 172.2 | -166.6 | 0 | 115.4 | L6 | L6-K35 HydrophobicContact CD1-CG 3.96Å; L6-K35 HydrophobicContact CD2-CG 4.2Å; L6-K35 HydrophobicContact CG-CG 4.31Å |
| 36 | T | 89.5 | Confident | 85.7 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -122.9 | -22.4 | -176.7 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | T34 L56 | T34-T36 PolarHBondContact O-N 2.86Å; T34-T36 PolarHBondContact OG1-N 3.2Å; T36-L56 PolarHBondContact O-N 2.83Å |
| 37 | R | 93.6 | Very high | 84 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.7 | -172.6 | -56 | -177.5 | 76 | 145.8 | 12 | 113.2 | T34 S53 V54 E55 | T34-R37 PolarHBondContact N-O 2.81Å; T34-R37 PolarHBondContact O-N 3.23Å; T34-R37 PolarHBondContact OG1-N 3.09Å; T34-R37 VanDerWaalsContact OG1-N 3.13Å; T34-R37 PolarHBondContact OG1-O 2.97Å; R37-S53 VanDerWaalsContact CZ-OG 3.29Å; R37-S53 PolarHBondContact NE-OG 3.41Å; R37-S53 PolarHBondContact NH2-OG 3.44Å; R37-V54 CarbonylContact C-O 3.46Å; R37-V54 VanDerWaalsContact CA-O 3.27Å; R37-V54 WeakPolarHBondContact CA-O 3.42Å; R37-E55 HydrophobicContact CG-CG 4.37Å |
| 38 | L | 95.6 | Very high | 83 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 110.7 | 161.1 | 179.4 | 64.5 | 0 | 0 | 0 | 108.7 | F31 L33 S53 V54 L56 V82 W102 L106 | F31-L38 HydrophobicContact CD1-CD1 3.96Å; F31-L38 HydrophobicContact CD1-CD2 4.49Å; F31-L38 HydrophobicContact CD1-CG 4.22Å; L33-L38 HydrophobicContact CB-CD1 4.39Å; L33-L38 HydrophobicContact CD1-CB 4.41Å; L33-L38 HydrophobicContact CD1-CD1 4.33Å; L38-S53 CarbonylContact O-C 3.45Å; L38-S53 WeakPolarHBondContact O-CA 3.39Å; L38-V54 HydrophobicContact CB-CB 4.46Å; L38-V54 PolarHBondContact N-O 3Å; L38-V54 PolarHBondContact O-N 2.8Å; L38-L56 HydrophobicContact CB-CD2 4.1Å; L38-V82 HydrophobicContact CD2-CG2 4.26Å; L38-W102 HydrophobicContact CD1-CH2 4.41Å; L38-W102 HydrophobicContact CD1-CZ3 3.69Å; L38-L106 HydrophobicContact CD2-CD1 4.44Å; L38-L106 HydrophobicContact CD2-CD2 4.3Å |
| 39 | T | 93.6 | Very high | 82.4 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143 | -177 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | F31 V32 Y41 K50 G52 S53 | F31-T39 CarbonylContact C-O 3.54Å; F31-T39 WeakPolarHBondContact CA-O 3.48Å; V32-T39 PolarHBondContact N-O 3.27Å; V32-T39 PolarHBondContact O-N 2.9Å; T39-Y41 HydrophobicContact CG2-CD2 4.34Å; T39-Y41 HydrophobicContact CG2-CE1 4.25Å; T39-Y41 HydrophobicContact CG2-CE2 3.57Å; T39-K50 HydrophobicContact CG2-CD 4.24Å; T39-K50 HydrophobicContact CG2-CG 3.96Å; T39-G52 WeakPolarHBondContact CG2-O 3.45Å; T39-S53 PolarHBondContact OG1-OG 3.39Å |
| 40 | Y | 93.3 | Very high | 82.1 | Confident | 23 Ų | 23 | 72.1 Ų | 72.1 | 9% | 0.09 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 140.2 | 177.6 | 54.4 | -92.6 | 0 | 0 | 0 | 112.5 | K13 R29 V30 F31 R51 G52 L89 | K13-Y40 HydrophobicContact CD-CD2 3.95Å; K13-Y40 HydrophobicContact CD-CE1 4.39Å; K13-Y40 HydrophobicContact CD-CE2 3.65Å; K13-Y40 HydrophobicContact CD-CG 4.44Å; K13-Y40 VanDerWaalsContact CE-OH 3.31Å; K13-Y40 WeakPolarHBondContact CE-OH 3.46Å; R29-Y40 HydrophobicContact CG-CD2 4.39Å; V30-Y40 VanDerWaalsContact O-CA 3.3Å; V30-Y40 WeakPolarHBondContact O-CA 3.15Å; F31-Y40 HydrophobicContact CD1-CD1 4.33Å; F31-Y40 HydrophobicContact CD1-CG 4.49Å; F31-Y40 AromaticContact CE1-CD1 3.76Å; F31-Y40 HydrophobicContact CE1-CD1 3.76Å; F31-Y40 HydrophobicContact CE1-CG 4.04Å; F31-Y40 HydrophobicContact CZ-CD1 4.25Å; F31-Y40 HydrophobicContact CZ-CG 4.2Å; Y40-R51 HydrophobicContact CD2-CB 3.88Å; Y40-R51 HydrophobicContact CE2-CB 3.93Å; Y40-R51 PolarHBondContact O-N 3.45Å; Y40-G52 VanDerWaalsContact CZ-CA 3.45Å; Y40-G52 PolarHBondContact N-O 3.46Å; Y40-G52 PolarHBondContact O-N 3.27Å; Y40-L89 HydrophobicContact CE1-CD2 4.45Å |
| 41 | Y | 90.3 | Very high | 81.9 | Confident | 57 Ų | 57 | 78.7 Ų | 78.7 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 156.3 | -171.8 | -56.2 | -98.7 | 0 | 0 | 0 | 111.2 | R29 V30 V32 T39 K48 F49 K50 | R29-Y41 WeakPolarHBondContact CA-O 3.29Å; R29-Y41 WeakPolarHBondContact CB-O 3.36Å; R29-Y41 WeakPolarHBondContact CD-O 3.47Å; V30-Y41 PolarHBondContact N-O 3.15Å; V30-Y41 VanDerWaalsContact N-O 3.15Å; V30-Y41 PolarHBondContact O-N 2.89Å; V32-Y41 HydrophobicContact CB-CE2 4.14Å; V32-Y41 HydrophobicContact CG2-CD2 4.03Å; V32-Y41 HydrophobicContact CG2-CE2 3.69Å; T39-Y41 HydrophobicContact CG2-CD2 4.34Å; T39-Y41 HydrophobicContact CG2-CE1 4.25Å; T39-Y41 HydrophobicContact CG2-CE2 3.57Å; Y41-K48 HydrophobicContact CD1-CB 3.7Å; Y41-K48 HydrophobicContact CE1-CB 4.46Å; Y41-K48 HydrophobicContact CG-CB 3.92Å; Y41-K48 HydrophobicContact CG-CD 4.37Å; Y41-F49 CarbonylContact C-O 3.54Å; Y41-F49 VanDerWaalsContact CA-O 3.27Å; Y41-F49 WeakPolarHBondContact CA-O 3.41Å; Y41-K50 HydrophobicContact CD1-CB 3.96Å; Y41-K50 HydrophobicContact CE1-CB 3.89Å; Y41-K50 HydrophobicContact CE1-CG 4.25Å |
| 42 | E | 85.8 | Confident | 81.6 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 24% | 0.243 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 142.3 | 168.6 | -175.2 | 172.4 | -117 | 0 | 0 | 110.3 | R29 F49 R51 | R29-E42 IonicContact CZ-OE1 2.75Å; R29-E42 VanDerWaalsContact CZ-OE1 3.26Å; R29-E42 IonicContact NH1-OE1 3.22Å; R29-E42 PolarHBondContact NH1-OE1 3.3Å; R29-E42 VanDerWaalsContact NH1-OE1 3.16Å; R29-E42 IonicContact NH2-OE1 2.78Å; R29-E42 PolarHBondContact NH2-OE1 2.75Å; E42-F49 PolarHBondContact N-O 3.43Å; E42-F49 PolarHBondContact O-N 3.24Å; E42-R51 HydrophobicContact CB-CG 3.65Å; E42-R51 IonicContact OE2-CZ 3.97Å; E42-R51 IonicContact OE2-NE 2.78Å; E42-R51 PolarHBondContact OE2-NE 3.16Å; E42-R51 IonicContact OE2-NH2 3.23Å; E42-R51 PolarHBondContact OE2-NH2 3.2Å |
| 43 | G | 67 | Low | 81.5 | Confident | 42 Ų | 42 | 80.3 Ų | 80.3 | 43% | 0.433 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 115.8 | 167 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 44 | K | 57.7 | Low | 81.5 | Confident | 179 Ų | 179 | 80.4 Ų | 80.4 | 78% | 0.778 | 39% | 0.386 | S | S | * | . | trans | -64.9 | 159.3 | 170.6 | -69.8 | -173.8 | -179.8 | -177.9 | 0 | 110.4 | E46 K47 | K44-E46 PolarHBondContact O-N 2.93Å; K44-K47 PolarHBondContact O-N 3.42Å; K44-K47 VanDerWaalsContact O-N 3.08Å | ||
| 45 | P | 52.2 | Low | 81.5 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 67% | 0.669 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -27.5 | -171.3 | -28.3 | 34.5 | 0 | 0 | 0 | 115.5 | ||
| 46 | E | 54.5 | Low | 81.7 | Confident | 185 Ų | 185 | 76.3 Ų | 76.3 | 86% | 0.864 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -16.4 | -172.9 | -62.7 | 166.8 | -167 | 0 | 0 | 114.5 | K44 | K44-E46 PolarHBondContact O-N 2.93Š|
| 47 | K | 56.8 | Low | 81.7 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -142.8 | 88 | 174.9 | -74.7 | -175.1 | -178.6 | 174.2 | 0 | 111.1 | K44 | K44-K47 PolarHBondContact O-N 3.42Å; K44-K47 VanDerWaalsContact O-N 3.08Å |
| 48 | K | 69 | Low | 81.7 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | trans | -89.1 | 108.1 | -178 | -65.5 | -177.8 | -176.1 | 175.1 | 0 | 111.9 | Y41 | Y41-K48 HydrophobicContact CD1-CB 3.7Å; Y41-K48 HydrophobicContact CE1-CB 4.46Å; Y41-K48 HydrophobicContact CG-CB 3.92Å; Y41-K48 HydrophobicContact CG-CD 4.37Å | ||
| 49 | F | 79.1 | Confident | 81.7 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 63% | 0.627 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.9 | 169.4 | -69.2 | -83.8 | 0 | 0 | 0 | 110.7 | Y41 E42 R51 | Y41-F49 CarbonylContact C-O 3.54Å; Y41-F49 VanDerWaalsContact CA-O 3.27Å; Y41-F49 WeakPolarHBondContact CA-O 3.41Å; E42-F49 PolarHBondContact N-O 3.43Å; E42-F49 PolarHBondContact O-N 3.24Å; F49-R51 PolarHBondContact O-N 2.88Å |
| 50 | K | 87.6 | Confident | 81.6 | Confident | 119 Ų | 119 | 80.5 Ų | 80.5 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 118.7 | -178.6 | -175.3 | -179 | 179.8 | -179.6 | 0 | 110.7 | T39 Y41 | T39-K50 HydrophobicContact CG2-CD 4.24Å; T39-K50 HydrophobicContact CG2-CG 3.96Å; Y41-K50 HydrophobicContact CD1-CB 3.96Å; Y41-K50 HydrophobicContact CE1-CB 3.89Å; Y41-K50 HydrophobicContact CE1-CG 4.25Å |
| 51 | R | 88.6 | Confident | 81.6 | Confident | 150 Ų | 150 | 79.4 Ų | 79.4 | 57% | 0.566 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100 | -30.7 | 179.5 | -75.8 | -57.5 | -168.7 | -178.7 | -1.3 | 113.8 | Y40 E42 F49 | Y40-R51 HydrophobicContact CD2-CB 3.88Å; Y40-R51 HydrophobicContact CE2-CB 3.93Å; Y40-R51 PolarHBondContact O-N 3.45Å; E42-R51 HydrophobicContact CB-CG 3.65Å; E42-R51 IonicContact OE2-CZ 3.97Å; E42-R51 IonicContact OE2-NE 2.78Å; E42-R51 PolarHBondContact OE2-NE 3.16Å; E42-R51 IonicContact OE2-NH2 3.23Å; E42-R51 PolarHBondContact OE2-NH2 3.2Å; F49-R51 PolarHBondContact O-N 2.88Å |
| 52 | G | 88.8 | Confident | 81.9 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 167.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T39 Y40 | T39-G52 WeakPolarHBondContact CG2-O 3.45Å; Y40-G52 VanDerWaalsContact CZ-CA 3.45Å; Y40-G52 PolarHBondContact N-O 3.46Å; Y40-G52 PolarHBondContact O-N 3.27Å |
| 53 | S | 92.4 | Very high | 82.3 | Confident | 32 Ų | 32 | 75.7 Ų | 75.7 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 137.4 | -177.8 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | R37 L38 T39 | R37-S53 VanDerWaalsContact CZ-OG 3.29Å; R37-S53 PolarHBondContact NE-OG 3.41Å; R37-S53 PolarHBondContact NH2-OG 3.44Å; L38-S53 CarbonylContact O-C 3.45Å; L38-S53 WeakPolarHBondContact O-CA 3.39Å; T39-S53 PolarHBondContact OG1-OG 3.39Å |
| 54 | V | 93.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.1 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | R37 L38 I59 Y84 | R37-V54 CarbonylContact C-O 3.46Å; R37-V54 VanDerWaalsContact CA-O 3.27Å; R37-V54 WeakPolarHBondContact CA-O 3.42Å; L38-V54 HydrophobicContact CB-CB 4.46Å; L38-V54 PolarHBondContact N-O 3Å; L38-V54 PolarHBondContact O-N 2.8Å; V54-I59 HydrophobicContact CG1-CD1 4.15Å; V54-I59 HydrophobicContact CG1-CG1 3.72Å; V54-Y84 HydrophobicContact CG1-CD1 3.83Å; V54-Y84 HydrophobicContact CG1-CD2 3.89Å; V54-Y84 HydrophobicContact CG1-CE1 4.37Å; V54-Y84 HydrophobicContact CG1-CE2 4.42Å; V54-Y84 HydrophobicContact CG1-CG 3.56Å; V54-Y84 HydrophobicContact CG2-CD1 4Å; V54-Y84 HydrophobicContact CG2-CD2 4.41Å; V54-Y84 HydrophobicContact CG2-CE1 3.7Å; V54-Y84 HydrophobicContact CG2-CE2 4.14Å; V54-Y84 HydrophobicContact CG2-CG 4.34Å |
| 55 | E | 93.3 | Very high | 85.4 | Confident | 67 Ų | 67 | 67.1 Ų | 67.1 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 131.3 | 171.5 | -74.1 | 167.2 | -172.2 | 0 | 0 | 109.1 | R37 S57 R58 | R37-E55 HydrophobicContact CG-CG 4.37Å; E55-S57 PolarHBondContact O-N 2.93Å; E55-R58 HydrophobicContact CB-CG 4.08Å; E55-R58 WeakPolarHBondContact O-CB 3.12Å; E55-R58 PolarHBondContact O-N 3.34Å; E55-R58 IonicContact OE2-CZ 2.79Å; E55-R58 IonicContact OE2-NE 2.83Å; E55-R58 PolarHBondContact OE2-NE 3.06Å; E55-R58 IonicContact OE2-NH2 3.84Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å |
| 56 | L | 92.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -62.9 | -32.3 | -175.1 | -62.9 | -171.7 | 0 | 0 | 0 | 112.1 | L33 T34 T36 L38 R58 I59 L106 E109 N113 | L33-L56 HydrophobicContact CD1-CD1 3.92Å; L33-L56 HydrophobicContact CD1-CD2 3.83Å; L33-L56 HydrophobicContact CD1-CG 4.45Å; T34-L56 VanDerWaalsContact O-CD1 3.28Å; T34-L56 WeakPolarHBondContact O-CD1 3.27Å; T36-L56 PolarHBondContact O-N 2.83Å; L38-L56 HydrophobicContact CB-CD2 4.1Å; L56-R58 PolarHBondContact O-N 2.89Å; L56-R58 VanDerWaalsContact O-N 3.14Å; L56-I59 HydrophobicContact CD2-CD1 3.48Å; L56-I59 VanDerWaalsContact CD2-CD1 3.48Å; L56-I59 WeakPolarHBondContact O-CB 3.36Å; L56-I59 PolarHBondContact O-N 3.26Å; L56-I59 VanDerWaalsContact O-N 3.09Å; L56-L106 HydrophobicContact CD2-CD2 4.07Å; L56-E109 HydrophobicContact CD1-CB 3.61Å; L56-E109 HydrophobicContact CD1-CG 4.11Å; L56-N113 PolarHBondContact O-ND2 2.78Å |
| 57 | S | 91.4 | Very high | 88.4 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 59% | 0.594 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.7 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | E55 | E55-S57 PolarHBondContact O-N 2.93Š|
| 58 | R | 92.8 | Very high | 88.9 | Confident | 116 Ų | 116 | 56 Ų | 56 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -92.8 | -10.8 | 178.6 | -60.6 | -177.6 | -176.7 | -133.8 | -3.5 | 113.5 | E55 L56 K60 Y84 D85 | E55-R58 HydrophobicContact CB-CG 4.08Å; E55-R58 WeakPolarHBondContact O-CB 3.12Å; E55-R58 PolarHBondContact O-N 3.34Å; E55-R58 IonicContact OE2-CZ 2.79Å; E55-R58 IonicContact OE2-NE 2.83Å; E55-R58 PolarHBondContact OE2-NE 3.06Å; E55-R58 IonicContact OE2-NH2 3.84Å; E55-R58 PolarHBondContact OE2-NH2 2.95Å; L56-R58 PolarHBondContact O-N 2.89Å; L56-R58 VanDerWaalsContact O-N 3.14Å; R58-K60 PolarHBondContact O-N 3.21Å; R58-Y84 VanDerWaalsContact O-CA 3.3Å; R58-Y84 WeakPolarHBondContact O-CA 3.44Å; R58-Y84 WeakPolarHBondContact O-CB 3.2Å; R58-D85 IonicContact NH1-OD2 2.72Å; R58-D85 PolarHBondContact NH1-OD2 3.18Å; R58-D85 PolarHBondContact O-N 2.55Å |
| 59 | I | 94.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.9 | 179 | -61.8 | 176 | 0 | 0 | 0 | 108.5 | V54 L56 V62 V82 V83 L106 I110 N113 | V54-I59 HydrophobicContact CG1-CD1 4.15Å; V54-I59 HydrophobicContact CG1-CG1 3.72Å; L56-I59 HydrophobicContact CD2-CD1 3.48Å; L56-I59 VanDerWaalsContact CD2-CD1 3.48Å; L56-I59 WeakPolarHBondContact O-CB 3.36Å; L56-I59 PolarHBondContact O-N 3.26Å; L56-I59 VanDerWaalsContact O-N 3.09Å; I59-V62 HydrophobicContact CG2-CG2 3.52Å; I59-V82 HydrophobicContact CD1-CG1 3.67Å; I59-V82 HydrophobicContact CG1-CG1 3.87Å; I59-V82 HydrophobicContact CG2-CG1 3.92Å; I59-V83 WeakPolarHBondContact CA-O 3.47Å; I59-L106 HydrophobicContact CD1-CD2 4.46Å; I59-I110 HydrophobicContact CB-CG2 3.89Å; I59-I110 HydrophobicContact CD1-CG2 4.33Å; I59-I110 HydrophobicContact CG2-CD1 3.89Å; I59-I110 HydrophobicContact CG2-CG2 4.03Å; I59-N113 PolarHBondContact O-ND2 3.3Å |
| 60 | K | 92.6 | Very high | 88 | Confident | 70 Ų | 70 | 51 Ų | 51 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -20.9 | -178 | -52.6 | -175.1 | 176.1 | 167.3 | 0 | 113.1 | R58 V83 D85 G115 V116 L117 | R58-K60 PolarHBondContact O-N 3.21Å; K60-V83 PolarHBondContact N-O 2.94Å; K60-D85 PolarHBondContact NZ-O 3.31Å; K60-G115 WeakPolarHBondContact CB-O 3.39Å; K60-G115 VanDerWaalsContact CG-O 3.27Å; K60-G115 WeakPolarHBondContact CG-O 3.4Å; K60-V116 CarbonylContact O-C 3.54Å; K60-V116 VanDerWaalsContact O-CA 3.3Å; K60-V116 WeakPolarHBondContact O-CA 3.48Å; K60-V116 WeakPolarHBondContact O-CG1 3.49Å; K60-L117 HydrophobicContact CB-CD1 4.47Å; K60-L117 HydrophobicContact CB-CD2 4.41Å; K60-L117 HydrophobicContact CB-CG 3.84Å; K60-L117 HydrophobicContact CD-CD2 4.33Å; K60-L117 PolarHBondContact O-N 2.92Å |
| 61 | C | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 138.6 | 178.1 | 167.8 | 0 | 0 | 0 | 0 | 110.4 | V83 L117 Y146 | C61-V83 HydrophobicContact CB-CB 4Å; C61-V83 HydrophobicContact CB-CG2 4.09Å; C61-V83 PolarHBondContact N-O 2.96Å; C61-V83 PolarHBondContact O-N 3.48Å; C61-L117 HydrophobicContact CB-CB 4.39Å; C61-L117 HydrophobicContact CB-CD1 3.96Å; C61-L117 HydrophobicContact CB-CG 4.39Å; C61-Y146 HydrophobicContact CB-CD2 4.42Å; C61-Y146 HydrophobicContact CB-CE1 4.42Å; C61-Y146 HydrophobicContact CB-CE2 4.26Å; C61-Y146 WeakPolarHBondContact SG-CD2 2.89Å; C61-Y146 WeakPolarHBondContact SG-CE2 3.16Å |
| 62 | V | 95.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 119.1 | 168.9 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | I59 F80 Q81 V82 V103 L106 K107 I110 Y146 | I59-V62 HydrophobicContact CG2-CG2 3.52Å; V62-F80 HydrophobicContact CG1-CD2 4.44Å; V62-Q81 VanDerWaalsContact CA-O 3.29Å; V62-Q81 WeakPolarHBondContact CA-O 3.44Å; V62-V82 HydrophobicContact CG1-CG2 4.34Å; V62-V82 HydrophobicContact CG2-CB 4.46Å; V62-V82 HydrophobicContact CG2-CG1 4.15Å; V62-V82 HydrophobicContact CG2-CG2 4.21Å; V62-V103 HydrophobicContact CG1-CG1 4.4Å; V62-V103 HydrophobicContact CG1-CG2 4.43Å; V62-L106 HydrophobicContact CB-CB 4.32Å; V62-L106 HydrophobicContact CG1-CB 3.87Å; V62-L106 HydrophobicContact CG1-CD1 4.01Å; V62-L106 HydrophobicContact CG2-CB 4.08Å; V62-K107 HydrophobicContact CB-CG 4.43Å; V62-K107 WeakPolarHBondContact O-CE 3.45Å; V62-I110 HydrophobicContact CB-CD1 4.48Å; V62-I110 HydrophobicContact CG2-CD1 3.99Å; V62-Y146 PolarHBondContact N-OH 3.46Å; V62-Y146 WeakPolarHBondContact O-CE2 3.45Å; V62-Y146 PolarHBondContact O-OH 3Å |
| 63 | E | 95.8 | Very high | 86.7 | Confident | 32 Ų | 32 | 50 Ų | 50 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 159.6 | -178 | -164.4 | 48.8 | -85.3 | 0 | 0 | 112.5 | F80 Q81 K107 F120 Y146 | E63-F80 CarbonylContact O-C 3.59Å; E63-F80 WeakPolarHBondContact O-CA 3.28Å; E63-F80 WeakPolarHBondContact O-CB 3.14Å; E63-Q81 PolarHBondContact N-O 3.11Å; E63-Q81 WeakPolarHBondContact O-CG 3.12Å; E63-Q81 PolarHBondContact O-N 2.82Å; E63-K107 IonicContact OE1-NZ 2.7Å; E63-K107 WeakPolarHBondContact OE2-CE 3.15Å; E63-K107 IonicContact OE2-NZ 2.72Å; E63-K107 PolarHBondContact OE2-NZ 2.97Å; E63-F120 HydrophobicContact CB-CD2 4.11Å; E63-F120 HydrophobicContact CB-CE2 3.63Å; E63-F120 HydrophobicContact CB-CZ 4.08Å; E63-F120 HydrophobicContact CG-CD2 4.4Å; E63-F120 HydrophobicContact CG-CE1 4.35Å; E63-F120 HydrophobicContact CG-CE2 3.48Å; E63-F120 VanDerWaalsContact CG-CE2 3.48Å; E63-F120 HydrophobicContact CG-CZ 3.47Å; E63-F120 VanDerWaalsContact CG-CZ 3.47Å; E63-Y146 HydrophobicContact CB-CE2 4.19Å |
| 64 | I | 95.1 | Very high | 86.3 | Confident | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.2 | 170.5 | -62.2 | 172.7 | 0 | 0 | 0 | 109.8 | V103 | I64-V103 HydrophobicContact CG1-CG2 4.22Å |
| 65 | V | 93.9 | Very high | 85.8 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -92.2 | 121.4 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | N67 P79 Q81 Y90 P122 F124 | V65-N67 PolarHBondContact O-N 2.88Å; V65-P79 HydrophobicContact CB-CB 4.05Å; V65-P79 HydrophobicContact CB-CG 4.07Å; V65-P79 PolarHBondContact N-O 2.81Å; V65-P79 VanDerWaalsContact N-O 3.16Å; V65-Q81 HydrophobicContact CG2-CB 3.7Å; V65-Q81 HydrophobicContact CG2-CG 4.01Å; V65-Y90 HydrophobicContact CG2-CD1 3.89Å; V65-Y90 HydrophobicContact CG2-CE1 4.05Å; V65-P122 CarbonylContact C-O 3.56Å; V65-P122 WeakPolarHBondContact CA-O 3.42Å; V65-F124 HydrophobicContact CB-CE1 4.26Å; V65-F124 HydrophobicContact CB-CZ 4.38Å; V65-F124 HydrophobicContact CG1-CD1 3.77Å; V65-F124 HydrophobicContact CG1-CD2 4.18Å; V65-F124 HydrophobicContact CG1-CE1 3.64Å; V65-F124 HydrophobicContact CG1-CE2 4.04Å; V65-F124 HydrophobicContact CG1-CG 4.06Å; V65-F124 HydrophobicContact CG1-CZ 3.78Å; V65-F124 HydrophobicContact CG2-CE1 4.44Å |
| 66 | K | 91.3 | Very high | 85.7 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 118 | 170.9 | -60.8 | -179.2 | -170.3 | 167.1 | 0 | 108.1 | P122 Q123 E144 | K66-P122 HydrophobicContact CD-CB 3.99Å; K66-P122 HydrophobicContact CG-CB 4.24Å; K66-P122 PolarHBondContact N-O 2.82Å; K66-Q123 HydrophobicContact CB-CG 4.17Å; K66-Q123 WeakPolarHBondContact O-CG 3.35Å; K66-E144 IonicContact NZ-OE1 3.63Å; K66-E144 PolarHBondContact NZ-OE1 3.17Å; K66-E144 IonicContact NZ-OE2 3.14Å; K66-E144 PolarHBondContact NZ-OE2 3.25Å |
| 67 | N | 79.2 | Confident | 85.6 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | trans | -82.8 | -12.8 | -175.6 | -171.5 | 35.4 | 0 | 0 | 0 | 113.1 | V65 G69 G70 I72 F124 | V65-N67 PolarHBondContact O-N 2.88Å; N67-G69 PolarHBondContact O-N 2.96Å; N67-G70 PolarHBondContact ND2-O 3.3Å; N67-G70 PolarHBondContact O-N 2.91Å; N67-G70 PolarHBondContact OD1-O 2.69Å; N67-I72 HydrophobicContact CB-CD1 4.37Å; N67-I72 WeakPolarHBondContact ND2-CD1 3.09Å; N67-I72 WeakPolarHBondContact ND2-CG1 3.18Å; N67-F124 WeakPolarHBondContact OD1-CE2 3.28Å | ||
| 68 | G | 65.9 | Low | 85.7 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 68% | 0.68 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 69 | G | 62 | Low | 85.8 | Confident | 78 Ų | 78 | 52 Ų | 52 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 0.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N67 | N67-G69 PolarHBondContact O-N 2.96Š|
| 70 | G | 67.3 | Low | 85.9 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 154.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N67 | N67-G70 PolarHBondContact ND2-O 3.3Å; N67-G70 PolarHBondContact O-N 2.91Å; N67-G70 PolarHBondContact OD1-O 2.69Å |
| 71 | I | 75 | Confident | 86.1 | Confident | 164 Ų | 164 | 48.8 Ų | 48.8 | 84% | 0.841 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 125.5 | 176.7 | -60.2 | 172.2 | 0 | 0 | 0 | 109.4 | P73 | I71-P73 WeakPolarHBondContact O-CD 3.39Š|
| 72 | I | 83.6 | Confident | 86.2 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 116.8 | 171.1 | -68 | 169.1 | 0 | 0 | 0 | 108.6 | N67 C74 K77 P79 F92 | N67-I72 HydrophobicContact CB-CD1 4.37Å; N67-I72 WeakPolarHBondContact ND2-CD1 3.09Å; N67-I72 WeakPolarHBondContact ND2-CG1 3.18Å; I72-C74 PolarHBondContact O-N 2.9Å; I72-C74 VanDerWaalsContact O-N 3.16Å; I72-K77 HydrophobicContact CB-CD 4.16Å; I72-K77 WeakPolarHBondContact CD1-O 3.16Å; I72-K77 HydrophobicContact CG2-CD 4.25Å; I72-K77 PolarHBondContact O-NZ 2.99Å; I72-P79 HydrophobicContact CD1-CG 3.97Å; I72-F92 HydrophobicContact CB-CE1 4.47Å; I72-F92 HydrophobicContact CD1-CD1 4.44Å; I72-F92 HydrophobicContact CD1-CE1 4.13Å; I72-F92 HydrophobicContact CG1-CE1 4.17Å; I72-F92 HydrophobicContact CG2-CD1 3.66Å; I72-F92 HydrophobicContact CG2-CE1 3.49Å; I72-F92 VanDerWaalsContact CG2-CE1 3.49Å |
| 73 | P | 79.9 | Confident | 86.1 | Confident | 88 Ų | 88 | 49.7 Ų | 49.7 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | trans | -82.7 | 12.5 | -169.2 | 34.9 | -39.1 | 0 | 0 | 0 | 114.5 | Y26 I71 | Y26-P73 HydrophobicContact CD2-CG 4Å; Y26-P73 HydrophobicContact CE1-CG 4.16Å; Y26-P73 HydrophobicContact CE2-CG 3.38Å; Y26-P73 VanDerWaalsContact CZ-CG 3.45Å; I71-P73 WeakPolarHBondContact O-CD 3.39Å | ||
| 74 | C | 83.3 | Confident | 86 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 8% | 0.081 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -124 | 163 | 179 | 73.4 | 0 | 0 | 0 | 0 | 111.6 | I12 Y26 I72 N76 K77 | I12-C74 HydrophobicContact CD1-CB 3.87Å; I12-C74 HydrophobicContact CG2-CB 4.09Å; Y26-C74 HydrophobicContact CD1-CB 3.84Å; Y26-C74 HydrophobicContact CG-CB 4.04Å; I72-C74 PolarHBondContact O-N 2.9Å; I72-C74 VanDerWaalsContact O-N 3.16Å; C74-N76 VanDerWaalsContact C-N 3.29Å; C74-N76 PolarHBondContact O-N 2.89Å; C74-N76 PolarHBondContact SG-O 2.81Å; C74-N76 VanDerWaalsContact SG-O 3.36Å; C74-K77 WeakPolarHBondContact O-CE 3.38Å; C74-K77 PolarHBondContact O-NZ 3.37Å |
| 75 | Q | 84.4 | Confident | 85.5 | Confident | 133 Ų | 133 | 50.6 Ų | 50.6 | 62% | 0.621 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -62.8 | -33.3 | -175.5 | 69.5 | -115.2 | 20.6 | 0 | 0 | 113.3 | I12 K77 | I12-Q75 HydrophobicContact CD1-CG 3.75Å; Q75-K77 PolarHBondContact O-N 3.33Å |
| 76 | N | 90.4 | Very high | 85 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | trans | -81.5 | 114.1 | 179.4 | -72.9 | 12.1 | 0 | 0 | 0 | 110.3 | I12 C74 F92 A93 | I12-N76 HydrophobicContact CD1-CB 4.01Å; I12-N76 HydrophobicContact CG1-CB 4.35Å; C74-N76 VanDerWaalsContact C-N 3.29Å; C74-N76 PolarHBondContact O-N 2.89Å; C74-N76 PolarHBondContact SG-O 2.81Å; C74-N76 VanDerWaalsContact SG-O 3.36Å; N76-F92 HydrophobicContact CB-CB 3.6Å; N76-F92 WeakPolarHBondContact CB-O 3.17Å; N76-F92 PolarHBondContact ND2-O 3.11Å; N76-F92 WeakPolarHBondContact O-CB 3.21Å; N76-F92 WeakPolarHBondContact O-CD1 3.42Å; N76-A93 VanDerWaalsContact CB-O 3.29Å; N76-A93 WeakPolarHBondContact CB-O 3.46Å | ||
| 77 | K | 89.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 51.7 Ų | 51.7 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | trans | -94.3 | 2.2 | -174.7 | -56 | -53.9 | -173.5 | -168.1 | 0 | 115 | I72 C74 Q75 P79 | I72-K77 HydrophobicContact CB-CD 4.16Å; I72-K77 WeakPolarHBondContact CD1-O 3.16Å; I72-K77 HydrophobicContact CG2-CD 4.25Å; I72-K77 PolarHBondContact O-NZ 2.99Å; C74-K77 WeakPolarHBondContact O-CE 3.38Å; C74-K77 PolarHBondContact O-NZ 3.37Å; Q75-K77 PolarHBondContact O-N 3.33Å; K77-P79 WeakPolarHBondContact O-CD 3.03Å | ||
| 78 | Y | 94.3 | Very high | 85.5 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 31% | 0.31 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 83.9 | -173 | -55.3 | -81.1 | 0 | 0 | 0 | 111.5 | A93 S95 Q96 | Y78-A93 PolarHBondContact O-N 2.79Å; Y78-S95 VanDerWaalsContact CE2-CA 3.48Å; Y78-Q96 HydrophobicContact CD1-CB 3.82Å; Y78-Q96 HydrophobicContact CE1-CB 3.6Å |
| 79 | P | 96 | Very high | 86.8 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 145.6 | -175.7 | 32.6 | -37 | 0 | 0 | 0 | 113.2 | V65 I72 K77 V91 F92 R99 F124 | V65-P79 HydrophobicContact CB-CB 4.05Å; V65-P79 HydrophobicContact CB-CG 4.07Å; V65-P79 PolarHBondContact N-O 2.81Å; V65-P79 VanDerWaalsContact N-O 3.16Å; I72-P79 HydrophobicContact CD1-CG 3.97Å; K77-P79 WeakPolarHBondContact O-CD 3.03Å; P79-V91 CarbonylContact C-O 3.53Å; P79-V91 VanDerWaalsContact CA-O 3.29Å; P79-V91 WeakPolarHBondContact CA-O 3.46Å; P79-F92 HydrophobicContact CB-CD1 3.76Å; P79-F92 HydrophobicContact CB-CE1 3.66Å; P79-F92 HydrophobicContact CB-CG 4.37Å; P79-F92 HydrophobicContact CB-CZ 4.15Å; P79-F92 HydrophobicContact CG-CE1 4.36Å; P79-R99 WeakPolarHBondContact O-CD 3.38Å; P79-F124 HydrophobicContact CB-CE1 4.3Å; P79-F124 HydrophobicContact CB-CZ 3.84Å; P79-F124 HydrophobicContact CG-CZ 4.01Å |
| 80 | F | 96.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 162 | 163.5 | 67.5 | -82.1 | 0 | 0 | 0 | 109.6 | L11 V62 E63 V82 V91 A93 R99 W102 V103 L106 | L11-F80 HydrophobicContact CD1-CE1 4.36Å; L11-F80 HydrophobicContact CD1-CZ 4.19Å; V62-F80 HydrophobicContact CG1-CD2 4.44Å; E63-F80 CarbonylContact O-C 3.59Å; E63-F80 WeakPolarHBondContact O-CA 3.28Å; E63-F80 WeakPolarHBondContact O-CB 3.14Å; F80-V82 HydrophobicContact CD2-CG2 4.2Å; F80-V82 HydrophobicContact CE2-CG2 3.96Å; F80-V91 HydrophobicContact CD1-CB 4.16Å; F80-V91 WeakPolarHBondContact CD1-O 3.35Å; F80-V91 HydrophobicContact CD2-CB 4.45Å; F80-V91 HydrophobicContact CE1-CB 3.64Å; F80-V91 HydrophobicContact CE1-CG1 3.62Å; F80-V91 HydrophobicContact CE2-CB 3.96Å; F80-V91 HydrophobicContact CE2-CG1 4.44Å; F80-V91 HydrophobicContact CE2-CG2 4.26Å; F80-V91 HydrophobicContact CZ-CB 3.54Å; F80-V91 HydrophobicContact CZ-CG1 3.57Å; F80-V91 HydrophobicContact CZ-CG2 4.18Å; F80-V91 PolarHBondContact N-O 2.81Å; F80-V91 PolarHBondContact O-N 2.75Å; F80-V91 VanDerWaalsContact O-O 3.11Å; F80-A93 HydrophobicContact CE1-CB 4.48Å; F80-R99 HydrophobicContact CB-CG 4.18Å; F80-R99 HydrophobicContact CD1-CG 4.04Å; F80-W102 HydrophobicContact CE1-CB 4.07Å; F80-W102 HydrophobicContact CE1-CG 4.43Å; F80-W102 HydrophobicContact CE2-CB 4.34Å; F80-W102 HydrophobicContact CZ-CB 3.82Å; F80-W102 HydrophobicContact CZ-CD2 4.48Å; F80-W102 HydrophobicContact CZ-CG 4.15Å; F80-V103 HydrophobicContact CB-CG2 3.53Å; F80-V103 HydrophobicContact CD2-CG2 4.1Å; F80-V103 HydrophobicContact CG-CG2 3.88Å; F80-L106 HydrophobicContact CE2-CD1 3.92Å |
| 81 | Q | 95.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 147.1 | 179.2 | 65.8 | -174.2 | -50.6 | 0 | 0 | 111.3 | V62 E63 V65 V83 T88 L89 Y90 H121 | V62-Q81 VanDerWaalsContact CA-O 3.29Å; V62-Q81 WeakPolarHBondContact CA-O 3.44Å; E63-Q81 PolarHBondContact N-O 3.11Å; E63-Q81 WeakPolarHBondContact O-CG 3.12Å; E63-Q81 PolarHBondContact O-N 2.82Å; V65-Q81 HydrophobicContact CG2-CB 3.7Å; V65-Q81 HydrophobicContact CG2-CG 4.01Å; Q81-V83 HydrophobicContact CG-CG2 4.43Å; Q81-T88 HydrophobicContact CB-CG2 3.97Å; Q81-L89 CarbonylContact C-O 3.59Å; Q81-L89 WeakPolarHBondContact CA-O 3.14Å; Q81-Y90 HydrophobicContact CB-CD1 3.89Å; Q81-Y90 HydrophobicContact CB-CE1 4Å; Q81-H121 PolarHBondContact NE2-O 3.27Å; Q81-H121 PolarHBondContact OE1-O 2.7Å |
| 82 | V | 95.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 107.7 | 169 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | L38 I59 V62 F80 Y84 L89 L106 | L38-V82 HydrophobicContact CD2-CG2 4.26Å; I59-V82 HydrophobicContact CD1-CG1 3.67Å; I59-V82 HydrophobicContact CG1-CG1 3.87Å; I59-V82 HydrophobicContact CG2-CG1 3.92Å; V62-V82 HydrophobicContact CG1-CG2 4.34Å; V62-V82 HydrophobicContact CG2-CB 4.46Å; V62-V82 HydrophobicContact CG2-CG1 4.15Å; V62-V82 HydrophobicContact CG2-CG2 4.21Å; F80-V82 HydrophobicContact CD2-CG2 4.2Å; F80-V82 HydrophobicContact CE2-CG2 3.96Å; V82-Y84 HydrophobicContact CG1-CD1 4.49Å; V82-L89 HydrophobicContact CB-CB 4.29Å; V82-L89 PolarHBondContact N-O 3.34Å; V82-L89 WeakPolarHBondContact O-CB 3.02Å; V82-L89 PolarHBondContact O-N 3.49Å; V82-L106 HydrophobicContact CG2-CD1 3.93Å |
| 83 | V | 93.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 124.7 | 177.9 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | I59 K60 C61 Q81 N87 T88 L117 | I59-V83 WeakPolarHBondContact CA-O 3.47Å; K60-V83 PolarHBondContact N-O 2.94Å; C61-V83 HydrophobicContact CB-CB 4Å; C61-V83 HydrophobicContact CB-CG2 4.09Å; C61-V83 PolarHBondContact N-O 2.96Å; C61-V83 PolarHBondContact O-N 3.48Å; Q81-V83 HydrophobicContact CG-CG2 4.43Å; V83-N87 WeakPolarHBondContact CA-O 3.23Å; V83-T88 HydrophobicContact CG2-CG2 4.09Å; V83-L117 HydrophobicContact CG1-CD1 4.07Å |
| 84 | Y | 92.5 | Very high | 91.9 | Very high | 26 Ų | 26 | 32 Ų | 32 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 142.5 | 179 | 65.2 | -84.5 | 0 | 0 | 0 | 110.1 | Q16 V54 R58 V82 T86 N87 L89 | Q16-Y84 PolarHBondContact NE2-OH 3.45Å; V54-Y84 HydrophobicContact CG1-CD1 3.83Å; V54-Y84 HydrophobicContact CG1-CD2 3.89Å; V54-Y84 HydrophobicContact CG1-CE1 4.37Å; V54-Y84 HydrophobicContact CG1-CE2 4.42Å; V54-Y84 HydrophobicContact CG1-CG 3.56Å; V54-Y84 HydrophobicContact CG2-CD1 4Å; V54-Y84 HydrophobicContact CG2-CD2 4.41Å; V54-Y84 HydrophobicContact CG2-CE1 3.7Å; V54-Y84 HydrophobicContact CG2-CE2 4.14Å; V54-Y84 HydrophobicContact CG2-CG 4.34Å; R58-Y84 VanDerWaalsContact O-CA 3.3Å; R58-Y84 WeakPolarHBondContact O-CA 3.44Å; R58-Y84 WeakPolarHBondContact O-CB 3.2Å; V82-Y84 HydrophobicContact CG1-CD1 4.49Å; Y84-T86 PolarHBondContact O-N 3.36Å; Y84-N87 HydrophobicContact CE1-CB 4.2Å; Y84-N87 HydrophobicContact CE2-CB 4.1Å; Y84-N87 PolarHBondContact N-O 3.48Å; Y84-N87 PolarHBondContact O-N 3.14Å; Y84-L89 HydrophobicContact CE1-CB 3.94Å |
| 85 | D | 86.1 | Confident | 92.4 | Very high | 62 Ų | 62 | 33.7 Ų | 33.7 | 33% | 0.332 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -108 | -174.2 | -58.4 | -36 | 0 | 0 | 0 | 112.2 | R58 K60 | R58-D85 IonicContact NH1-OD2 2.72Å; R58-D85 PolarHBondContact NH1-OD2 3.18Å; R58-D85 PolarHBondContact O-N 2.55Å; K60-D85 PolarHBondContact NZ-O 3.31Å |
| 86 | T | 83.3 | Confident | 92.7 | Very high | 93 Ų | 93 | 32.8 Ų | 32.8 | 57% | 0.571 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 11.7 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | Y84 | Y84-T86 PolarHBondContact O-N 3.36Š|
| 87 | N | 87.9 | Confident | 92.8 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.3 | -174.9 | -63.9 | -78.7 | 0 | 0 | 0 | 111.6 | V83 Y84 | V83-N87 WeakPolarHBondContact CA-O 3.23Å; Y84-N87 HydrophobicContact CE1-CB 4.2Å; Y84-N87 HydrophobicContact CE2-CB 4.1Å; Y84-N87 PolarHBondContact N-O 3.48Å; Y84-N87 PolarHBondContact O-N 3.14Å |
| 88 | T | 91.5 | Very high | 93 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.3 | 169.5 | -53.1 | 0 | 0 | 0 | 0 | 109 | Q16 Q81 V83 Y90 | Q16-T88 WeakPolarHBondContact CG-O 3.45Å; Q81-T88 HydrophobicContact CB-CG2 3.97Å; V83-T88 HydrophobicContact CG2-CG2 4.09Å; T88-Y90 HydrophobicContact CG2-CD1 4.15Å; T88-Y90 HydrophobicContact CG2-CD2 4.47Å; T88-Y90 HydrophobicContact CG2-CE1 3.65Å; T88-Y90 HydrophobicContact CG2-CE2 4Å |
| 89 | L | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114 | 172.1 | 174 | 64.8 | 0 | 0 | 0 | 109.1 | K13 F31 Y40 Q81 V82 Y84 V91 | K13-L89 HydrophobicContact CD-CD1 3.9Å; K13-L89 HydrophobicContact CG-CD1 3.73Å; F31-L89 HydrophobicContact CE1-CD2 4.25Å; Y40-L89 HydrophobicContact CE1-CD2 4.45Å; Q81-L89 CarbonylContact C-O 3.59Å; Q81-L89 WeakPolarHBondContact CA-O 3.14Å; V82-L89 HydrophobicContact CB-CB 4.29Å; V82-L89 PolarHBondContact N-O 3.34Å; V82-L89 WeakPolarHBondContact O-CB 3.02Å; V82-L89 PolarHBondContact O-N 3.49Å; Y84-L89 HydrophobicContact CE1-CB 3.94Å; L89-V91 HydrophobicContact CD1-CG2 4.38Å; L89-V91 HydrophobicContact CD2-CG2 4.09Å; L89-V91 HydrophobicContact CG-CG2 3.77Å |
| 90 | Y | 95.7 | Very high | 93 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129 | 171.6 | -59.6 | -68.8 | 0 | 0 | 0 | 110.2 | R14 V65 Q81 T88 F124 W125 W130 | R14-Y90 PolarHBondContact N-O 2.86Å; V65-Y90 HydrophobicContact CG2-CD1 3.89Å; V65-Y90 HydrophobicContact CG2-CE1 4.05Å; Q81-Y90 HydrophobicContact CB-CD1 3.89Å; Q81-Y90 HydrophobicContact CB-CE1 4Å; T88-Y90 HydrophobicContact CG2-CD1 4.15Å; T88-Y90 HydrophobicContact CG2-CD2 4.47Å; T88-Y90 HydrophobicContact CG2-CE1 3.65Å; T88-Y90 HydrophobicContact CG2-CE2 4Å; Y90-F124 AromaticContact CD1-CD1 3.7Å; Y90-F124 HydrophobicContact CD1-CD1 3.7Å; Y90-F124 AromaticContact CD1-CE1 3.78Å; Y90-F124 HydrophobicContact CD1-CE1 3.78Å; Y90-F124 HydrophobicContact CD2-CD1 4.31Å; Y90-F124 AromaticContact CE1-CD1 3.69Å; Y90-F124 HydrophobicContact CE1-CD1 3.69Å; Y90-F124 HydrophobicContact CE1-CE1 4.21Å; Y90-F124 HydrophobicContact CE2-CD1 4.32Å; Y90-F124 HydrophobicContact CG-CD1 4.01Å; Y90-F124 HydrophobicContact CG-CE1 4.06Å; Y90-W125 PolarHBondContact OH-N 2.87Å; Y90-W130 WeakPolarHBondContact OH-CZ3 3.23Å |
| 91 | V | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.1 | -178.1 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | L11 I12 F31 P79 F80 L89 | L11-V91 HydrophobicContact CB-CG1 3.66Å; L11-V91 HydrophobicContact CD1-CG1 3.56Å; L11-V91 HydrophobicContact CG-CG1 4.25Å; I12-V91 CarbonylContact O-C 3.49Å; I12-V91 WeakPolarHBondContact O-CA 3.3Å; F31-V91 HydrophobicContact CE1-CG2 4.08Å; F31-V91 HydrophobicContact CE2-CG1 4.07Å; F31-V91 HydrophobicContact CZ-CG1 4.02Å; F31-V91 HydrophobicContact CZ-CG2 3.92Å; P79-V91 CarbonylContact C-O 3.53Å; P79-V91 VanDerWaalsContact CA-O 3.29Å; P79-V91 WeakPolarHBondContact CA-O 3.46Å; F80-V91 HydrophobicContact CD1-CB 4.16Å; F80-V91 WeakPolarHBondContact CD1-O 3.35Å; F80-V91 HydrophobicContact CD2-CB 4.45Å; F80-V91 HydrophobicContact CE1-CB 3.64Å; F80-V91 HydrophobicContact CE1-CG1 3.62Å; F80-V91 HydrophobicContact CE2-CB 3.96Å; F80-V91 HydrophobicContact CE2-CG1 4.44Å; F80-V91 HydrophobicContact CE2-CG2 4.26Å; F80-V91 HydrophobicContact CZ-CB 3.54Å; F80-V91 HydrophobicContact CZ-CG1 3.57Å; F80-V91 HydrophobicContact CZ-CG2 4.18Å; F80-V91 PolarHBondContact N-O 2.81Å; F80-V91 PolarHBondContact O-N 2.75Å; F80-V91 VanDerWaalsContact O-O 3.11Å; L89-V91 HydrophobicContact CD1-CG2 4.38Å; L89-V91 HydrophobicContact CD2-CG2 4.09Å; L89-V91 HydrophobicContact CG-CG2 3.77Å |
| 92 | F | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.9 | -175.6 | -60.7 | -108.3 | 0 | 0 | 0 | 108.7 | I12 R14 Y26 I72 N76 P79 F124 | I12-F92 HydrophobicContact CB-CB 4.15Å; I12-F92 PolarHBondContact N-O 3.46Å; I12-F92 PolarHBondContact O-N 2.88Å; R14-F92 HydrophobicContact CB-CD2 4.5Å; R14-F92 HydrophobicContact CB-CE2 3.7Å; Y26-F92 HydrophobicContact CD1-CD2 4.36Å; Y26-F92 HydrophobicContact CD1-CE2 4.08Å; Y26-F92 HydrophobicContact CD1-CZ 4.39Å; Y26-F92 HydrophobicContact CE1-CD2 4.36Å; Y26-F92 HydrophobicContact CE1-CE1 4.26Å; Y26-F92 AromaticContact CE1-CE2 3.68Å; Y26-F92 HydrophobicContact CE1-CE2 3.68Å; Y26-F92 AromaticContact CE1-CZ 3.62Å; Y26-F92 HydrophobicContact CE1-CZ 3.62Å; I72-F92 HydrophobicContact CB-CE1 4.47Å; I72-F92 HydrophobicContact CD1-CD1 4.44Å; I72-F92 HydrophobicContact CD1-CE1 4.13Å; I72-F92 HydrophobicContact CG1-CE1 4.17Å; I72-F92 HydrophobicContact CG2-CD1 3.66Å; I72-F92 HydrophobicContact CG2-CE1 3.49Å; I72-F92 VanDerWaalsContact CG2-CE1 3.49Å; N76-F92 HydrophobicContact CB-CB 3.6Å; N76-F92 WeakPolarHBondContact CB-O 3.17Å; N76-F92 PolarHBondContact ND2-O 3.11Å; N76-F92 WeakPolarHBondContact O-CB 3.21Å; N76-F92 WeakPolarHBondContact O-CD1 3.42Å; P79-F92 HydrophobicContact CB-CD1 3.76Å; P79-F92 HydrophobicContact CB-CE1 3.66Å; P79-F92 HydrophobicContact CB-CG 4.37Å; P79-F92 HydrophobicContact CB-CZ 4.15Å; P79-F92 HydrophobicContact CG-CE1 4.36Å; F92-F124 HydrophobicContact CE1-CE1 4.4Å; F92-F124 AromaticContact CE1-CZ 3.87Å; F92-F124 HydrophobicContact CE1-CZ 3.87Å; F92-F124 AromaticContact CZ-CE1 3.78Å; F92-F124 HydrophobicContact CZ-CE1 3.78Å; F92-F124 AromaticContact CZ-CZ 3.69Å; F92-F124 HydrophobicContact CZ-CZ 3.69Å |
| 93 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L11 N76 Y78 F80 S95 R99 | L11-A93 HydrophobicContact CD2-CB 4.2Å; N76-A93 VanDerWaalsContact CB-O 3.29Å; N76-A93 WeakPolarHBondContact CB-O 3.46Å; Y78-A93 PolarHBondContact O-N 2.79Å; F80-A93 HydrophobicContact CE1-CB 4.48Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.01Å; A93-R99 HydrophobicContact CB-CB 3.8Å |
| 94 | P | 91.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 39% | 0.39 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -69.3 | -27.1 | -176.9 | 26.8 | -35.1 | 0 | 0 | 0 | 113.2 | E9 | E9-P94 WeakPolarHBondContact OE1-CD 3.49Å; E9-P94 WeakPolarHBondContact OE1-CG 3.11Å |
| 95 | S | 92.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 44 Ų | 44 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -139.3 | 161.1 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | Y78 A93 K97 S98 R99 | Y78-S95 VanDerWaalsContact CE2-CA 3.48Å; A93-S95 VanDerWaalsContact C-N 3.31Å; A93-S95 PolarHBondContact O-N 3.01Å; S95-K97 VanDerWaalsContact C-N 3.25Å; S95-K97 PolarHBondContact O-N 2.82Å; S95-S98 PolarHBondContact O-N 3.12Å; S95-S98 WeakPolarHBondContact OG-CB 3.42Å; S95-S98 PolarHBondContact OG-N 3.43Å; S95-S98 VanDerWaalsContact OG-N 3.08Å; S95-R99 PolarHBondContact O-N 3.1Å |
| 96 | Q | 91.6 | Very high | 93.3 | Very high | 113 Ų | 113 | 41 Ų | 41 | 53% | 0.528 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.8 | -41.9 | 172.6 | 179.3 | 161.2 | -7.9 | 0 | 0 | 111.6 | Y78 R99 S100 | Y78-Q96 HydrophobicContact CD1-CB 3.82Å; Y78-Q96 HydrophobicContact CE1-CB 3.6Å; Q96-R99 PolarHBondContact O-N 2.94Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 3.42Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å |
| 97 | K | 91.2 | Very high | 93.7 | Very high | 180 Ų | 180 | 37.5 Ų | 37.5 | 78% | 0.783 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -62.2 | -46.3 | 177.6 | -172.1 | 176.6 | -178.5 | 177.1 | 0 | 111.6 | S95 S100 L101 | S95-K97 VanDerWaalsContact C-N 3.25Å; S95-K97 PolarHBondContact O-N 2.82Å; K97-S100 PolarHBondContact O-N 2.96Å; K97-L101 WeakPolarHBondContact O-CB 3.41Å; K97-L101 PolarHBondContact O-N 2.86Å |
| 98 | S | 94.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.7 | 167 | 0 | 0 | 0 | 0 | 111.3 | E9 S95 S100 L101 W102 | E9-S98 WeakPolarHBondContact OE1-CB 3.29Å; E9-S98 PolarHBondContact OE1-OG 2.81Å; E9-S98 PolarHBondContact OE2-OG 2.94Å; S95-S98 PolarHBondContact O-N 3.12Å; S95-S98 WeakPolarHBondContact OG-CB 3.42Å; S95-S98 PolarHBondContact OG-N 3.43Å; S95-S98 VanDerWaalsContact OG-N 3.08Å; S98-S100 PolarHBondContact O-N 2.79Å; S98-L101 PolarHBondContact O-N 3.35Å; S98-W102 VanDerWaalsContact O-CD1 3.28Å; S98-W102 PolarHBondContact O-N 2.8Å |
| 99 | R | 96.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 42 Ų | 42 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -51.5 | 176.4 | -175.4 | -166.5 | 60.1 | -165.9 | -2.5 | 111.7 | P79 F80 A93 S95 Q96 L101 W102 V103 | P79-R99 WeakPolarHBondContact O-CD 3.38Å; F80-R99 HydrophobicContact CB-CG 4.18Å; F80-R99 HydrophobicContact CD1-CG 4.04Å; A93-R99 HydrophobicContact CB-CB 3.8Å; S95-R99 PolarHBondContact O-N 3.1Å; Q96-R99 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.48Å; R99-W102 PolarHBondContact O-N 2.8Å; R99-V103 HydrophobicContact CG-CG2 4.48Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 2.78Å |
| 100 | S | 93.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 42 Ų | 42 | 24% | 0.238 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | -178 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | Q96 K97 S98 L104 | Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 2.99Å; Q96-S100 PolarHBondContact O-OG 3.42Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å; K97-S100 PolarHBondContact O-N 2.96Å; S98-S100 PolarHBondContact O-N 2.79Å; S100-L104 VanDerWaalsContact O-CB 3.22Å; S100-L104 WeakPolarHBondContact O-CB 3.35Å; S100-L104 PolarHBondContact O-N 3.36Å |
| 101 | L | 94.1 | Very high | 93.3 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 42% | 0.419 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.1 | -178.4 | 63.7 | 0 | 0 | 0 | 111.9 | L7 K97 S98 R99 L104 M105 | L7-L101 HydrophobicContact CD1-CD2 4.05Å; L7-L101 HydrophobicContact CD2-CG 4.37Å; K97-L101 WeakPolarHBondContact O-CB 3.41Å; K97-L101 PolarHBondContact O-N 2.86Å; S98-L101 PolarHBondContact O-N 3.35Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.48Å; L101-L104 PolarHBondContact O-N 3.12Å; L101-M105 HydrophobicContact CD1-CG 4.02Å; L101-M105 HydrophobicContact CG-CG 4.39Å; L101-M105 WeakPolarHBondContact O-CB 3.2Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.04Å |
| 102 | W | 96.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 178.1 | -87 | 97.5 | 0 | 0 | 0 | 112.8 | L7 E9 L11 F31 L33 L38 F80 S98 R99 L106 | L7-W102 HydrophobicContact CB-CH2 4.11Å; L7-W102 HydrophobicContact CB-CZ2 4.24Å; L7-W102 HydrophobicContact CB-CZ3 4.46Å; L7-W102 HydrophobicContact CD2-CD2 3.38Å; L7-W102 HydrophobicContact CD2-CE3 3.76Å; L7-W102 HydrophobicContact CD2-CG 3.81Å; L7-W102 HydrophobicContact CD2-CH2 4.06Å; L7-W102 HydrophobicContact CD2-CZ2 3.71Å; L7-W102 HydrophobicContact CD2-CZ3 4.09Å; L7-W102 HydrophobicContact CG-CD2 4.27Å; L7-W102 HydrophobicContact CG-CH2 4Å; L7-W102 HydrophobicContact CG-CZ2 3.63Å; L7-W102 HydrophobicContact CG-CZ3 4.46Å; E9-W102 HydrophobicContact CB-CZ2 3.78Å; E9-W102 PolarHBondContact OE2-NE1 3.23Å; L11-W102 HydrophobicContact CD1-CD2 3.96Å; L11-W102 HydrophobicContact CD1-CG 4.32Å; L11-W102 HydrophobicContact CD1-CZ2 3.96Å; F31-W102 HydrophobicContact CB-CH2 3.75Å; F31-W102 HydrophobicContact CB-CZ2 4.14Å; F31-W102 HydrophobicContact CB-CZ3 4.39Å; L33-W102 HydrophobicContact CB-CH2 4.22Å; L33-W102 HydrophobicContact CB-CZ3 3.87Å; L38-W102 HydrophobicContact CD1-CH2 4.41Å; L38-W102 HydrophobicContact CD1-CZ3 3.69Å; F80-W102 HydrophobicContact CE1-CB 4.07Å; F80-W102 HydrophobicContact CE1-CG 4.43Å; F80-W102 HydrophobicContact CE2-CB 4.34Å; F80-W102 HydrophobicContact CZ-CB 3.82Å; F80-W102 HydrophobicContact CZ-CD2 4.48Å; F80-W102 HydrophobicContact CZ-CG 4.15Å; S98-W102 VanDerWaalsContact O-CD1 3.28Å; S98-W102 PolarHBondContact O-N 2.8Å; R99-W102 PolarHBondContact O-N 2.8Å; W102-L106 HydrophobicContact CE3-CD1 4.27Å; W102-L106 VanDerWaalsContact O-CB 3.29Å; W102-L106 WeakPolarHBondContact O-CB 3.49Å; W102-L106 WeakPolarHBondContact O-CG 3.36Å; W102-L106 PolarHBondContact O-N 3.22Å |
| 103 | V | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -46.4 | 178 | 172 | 0 | 0 | 0 | 0 | 110.4 | V62 I64 F80 R99 L106 K107 | V62-V103 HydrophobicContact CG1-CG1 4.4Å; V62-V103 HydrophobicContact CG1-CG2 4.43Å; I64-V103 HydrophobicContact CG1-CG2 4.22Å; F80-V103 HydrophobicContact CB-CG2 3.53Å; F80-V103 HydrophobicContact CD2-CG2 4.1Å; F80-V103 HydrophobicContact CG-CG2 3.88Å; R99-V103 HydrophobicContact CG-CG2 4.48Å; R99-V103 WeakPolarHBondContact O-CG2 3.48Å; R99-V103 PolarHBondContact O-N 2.78Å; V103-L106 PolarHBondContact O-N 2.88Å; V103-K107 HydrophobicContact CG1-CD 4.24Å; V103-K107 HydrophobicContact CG1-CG 4.4Å; V103-K107 WeakPolarHBondContact O-CB 3.48Å; V103-K107 WeakPolarHBondContact O-CG 2.88Å; V103-K107 PolarHBondContact O-N 3.46Å |
| 104 | L | 93.7 | Very high | 91.5 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -50.8 | 179 | -177.8 | 68.8 | 0 | 0 | 0 | 111.8 | S100 L101 L106 K107 H108 | S100-L104 VanDerWaalsContact O-CB 3.22Å; S100-L104 WeakPolarHBondContact O-CB 3.35Å; S100-L104 PolarHBondContact O-N 3.36Å; L101-L104 PolarHBondContact O-N 3.12Å; L104-L106 PolarHBondContact O-N 3.2Å; L104-K107 PolarHBondContact O-N 3.03Å; L104-H108 WeakPolarHBondContact O-CB 3.37Å; L104-H108 PolarHBondContact O-N 3.25Å |
| 105 | M | 92.7 | Very high | 90.9 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | -179.5 | -72.2 | -59.8 | -64.7 | 0 | 0 | 111.7 | L6 L7 L33 L101 H108 E109 | L6-M105 HydrophobicContact CB-CE 4.34Å; L7-M105 HydrophobicContact CD2-CG 4.41Å; L33-M105 HydrophobicContact CD2-CB 4.05Å; L101-M105 HydrophobicContact CD1-CG 4.02Å; L101-M105 HydrophobicContact CG-CG 4.39Å; L101-M105 WeakPolarHBondContact O-CB 3.2Å; L101-M105 VanDerWaalsContact O-CG 3.27Å; L101-M105 WeakPolarHBondContact O-CG 3.36Å; L101-M105 PolarHBondContact O-N 3.04Å; M105-H108 PolarHBondContact O-N 2.92Å; M105-E109 WeakPolarHBondContact O-CG 3.39Å; M105-E109 PolarHBondContact O-N 2.8Å; M105-E109 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 177.1 | -78.3 | 167.4 | 0 | 0 | 0 | 112.2 | L33 L38 L56 I59 V62 F80 V82 W102 V103 L104 H108 E109 I110 | L33-L106 HydrophobicContact CD1-CD2 3.62Å; L33-L106 HydrophobicContact CD2-CD2 4.16Å; L33-L106 HydrophobicContact CD2-CG 4.31Å; L38-L106 HydrophobicContact CD2-CD1 4.44Å; L38-L106 HydrophobicContact CD2-CD2 4.3Å; L56-L106 HydrophobicContact CD2-CD2 4.07Å; I59-L106 HydrophobicContact CD1-CD2 4.46Å; V62-L106 HydrophobicContact CB-CB 4.32Å; V62-L106 HydrophobicContact CG1-CB 3.87Å; V62-L106 HydrophobicContact CG1-CD1 4.01Å; V62-L106 HydrophobicContact CG2-CB 4.08Å; F80-L106 HydrophobicContact CE2-CD1 3.92Å; V82-L106 HydrophobicContact CG2-CD1 3.93Å; W102-L106 HydrophobicContact CE3-CD1 4.27Å; W102-L106 VanDerWaalsContact O-CB 3.29Å; W102-L106 WeakPolarHBondContact O-CB 3.49Å; W102-L106 WeakPolarHBondContact O-CG 3.36Å; W102-L106 PolarHBondContact O-N 3.22Å; V103-L106 PolarHBondContact O-N 2.88Å; L104-L106 PolarHBondContact O-N 3.2Å; L106-H108 VanDerWaalsContact C-N 3.34Å; L106-E109 PolarHBondContact O-N 2.71Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 WeakPolarHBondContact O-CG2 3.37Å; L106-I110 PolarHBondContact O-N 2.88Å |
| 107 | K | 93.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 8% | 0.078 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.8 | -80.7 | -169.9 | 175.8 | -169 | 0 | 111.6 | V62 E63 V103 L104 E109 I110 Q111 N147 L148 | V62-K107 HydrophobicContact CB-CG 4.43Å; V62-K107 WeakPolarHBondContact O-CE 3.45Å; E63-K107 IonicContact OE1-NZ 2.7Å; E63-K107 WeakPolarHBondContact OE2-CE 3.15Å; E63-K107 IonicContact OE2-NZ 2.72Å; E63-K107 PolarHBondContact OE2-NZ 2.97Å; V103-K107 HydrophobicContact CG1-CD 4.24Å; V103-K107 HydrophobicContact CG1-CG 4.4Å; V103-K107 WeakPolarHBondContact O-CB 3.48Å; V103-K107 WeakPolarHBondContact O-CG 2.88Å; V103-K107 PolarHBondContact O-N 3.46Å; L104-K107 PolarHBondContact O-N 3.03Å; K107-E109 PolarHBondContact O-N 2.82Å; K107-I110 WeakPolarHBondContact O-CG1 3.11Å; K107-I110 PolarHBondContact O-N 3.16Å; K107-Q111 PolarHBondContact O-N 2.94Å; K107-N147 PolarHBondContact NZ-O 3.25Å; K107-L148 HydrophobicContact CB-CD1 4.31Å; K107-L148 HydrophobicContact CG-CD1 4.18Å |
| 108 | H | 90.6 | Very high | 90.2 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 175.9 | 179.4 | -91.2 | 0 | 0 | 0 | 111.8 | L104 M105 L106 I110 Q111 | L104-H108 WeakPolarHBondContact O-CB 3.37Å; L104-H108 PolarHBondContact O-N 3.25Å; M105-H108 PolarHBondContact O-N 2.92Å; L106-H108 VanDerWaalsContact C-N 3.34Å; H108-I110 VanDerWaalsContact C-N 3.29Å; H108-I110 PolarHBondContact O-N 3.1Å; H108-Q111 WeakPolarHBondContact O-CB 3.42Å; H108-Q111 VanDerWaalsContact O-CD 3.3Å; H108-Q111 WeakPolarHBondContact O-CG 3.45Å; H108-Q111 PolarHBondContact O-N 3.23Å |
| 109 | E | 91.4 | Very high | 90 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -20.7 | -178 | -63.4 | -58.2 | 113.9 | 0 | 0 | 114.1 | L6 L56 M105 L106 K107 | L6-E109 HydrophobicContact CD1-CG 3.88Å; L56-E109 HydrophobicContact CD1-CB 3.61Å; L56-E109 HydrophobicContact CD1-CG 4.11Å; M105-E109 WeakPolarHBondContact O-CG 3.39Å; M105-E109 PolarHBondContact O-N 2.8Å; M105-E109 VanDerWaalsContact O-N 3.14Å; L106-E109 PolarHBondContact O-N 2.71Å; K107-E109 PolarHBondContact O-N 2.82Å |
| 110 | I | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 3.2 | 178.9 | 71.6 | 171.5 | 0 | 0 | 0 | 113.3 | I59 V62 L106 K107 H108 H112 N113 L148 | I59-I110 HydrophobicContact CB-CG2 3.89Å; I59-I110 HydrophobicContact CD1-CG2 4.33Å; I59-I110 HydrophobicContact CG2-CD1 3.89Å; I59-I110 HydrophobicContact CG2-CG2 4.03Å; V62-I110 HydrophobicContact CB-CD1 4.48Å; V62-I110 HydrophobicContact CG2-CD1 3.99Å; L106-I110 WeakPolarHBondContact O-CG1 3.33Å; L106-I110 WeakPolarHBondContact O-CG2 3.37Å; L106-I110 PolarHBondContact O-N 2.88Å; K107-I110 WeakPolarHBondContact O-CG1 3.11Å; K107-I110 PolarHBondContact O-N 3.16Å; H108-I110 VanDerWaalsContact C-N 3.29Å; H108-I110 PolarHBondContact O-N 3.1Å; I110-H112 PolarHBondContact O-N 2.86Å; I110-N113 WeakPolarHBondContact O-CB 3.39Å; I110-N113 PolarHBondContact O-N 3.05Å; I110-L148 HydrophobicContact CD1-CD1 3.83Å; I110-L148 HydrophobicContact CG1-CD1 3.77Å |
| 111 | Q | 87.1 | Confident | 89.9 | Confident | 77 Ų | 77 | 58.8 Ų | 58.8 | 36% | 0.36 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.5 | -172.8 | 73.6 | -172 | -13.8 | 0 | 0 | 114.2 | K107 H108 | K107-Q111 PolarHBondContact O-N 2.94Å; H108-Q111 WeakPolarHBondContact O-CB 3.42Å; H108-Q111 VanDerWaalsContact O-CD 3.3Å; H108-Q111 WeakPolarHBondContact O-CG 3.45Å; H108-Q111 PolarHBondContact O-N 3.23Å |
| 112 | H | 84.1 | Confident | 89.8 | Confident | 156 Ų | 156 | 55.2 Ų | 55.2 | 72% | 0.722 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 8.4 | -180 | -56.6 | -56.3 | 0 | 0 | 0 | 113.6 | I110 | I110-H112 PolarHBondContact O-N 2.86Š|
| 113 | N | 89.1 | Confident | 89.7 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | trans | -72.6 | 131.5 | 178.5 | -74.1 | -0.1 | 0 | 0 | 0 | 111.1 | L56 I59 I110 G115 V116 | L56-N113 PolarHBondContact O-ND2 2.78Å; I59-N113 PolarHBondContact O-ND2 3.3Å; I110-N113 WeakPolarHBondContact O-CB 3.39Å; I110-N113 PolarHBondContact O-N 3.05Å; N113-G115 PolarHBondContact O-N 3.07Å; N113-V116 HydrophobicContact CB-CG2 4.04Å | ||
| 114 | T | 77.7 | Confident | 89.6 | Confident | 160 Ų | 160 | 58.1 Ų | 58.1 | 98% | 0.982 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.7 | -177.6 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 115 | G | 79.3 | Confident | 89.3 | Confident | 40 Ų | 40 | 54.5 Ų | 54.5 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 24.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115 | K60 N113 | K60-G115 WeakPolarHBondContact CB-O 3.39Å; K60-G115 VanDerWaalsContact CG-O 3.27Å; K60-G115 WeakPolarHBondContact CG-O 3.4Å; N113-G115 PolarHBondContact O-N 3.07Å |
| 116 | V | 87 | Confident | 89 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | trans | -65.7 | 137.9 | 179.1 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | K60 N113 Y146 L148 | K60-V116 CarbonylContact O-C 3.54Å; K60-V116 VanDerWaalsContact O-CA 3.3Å; K60-V116 WeakPolarHBondContact O-CA 3.48Å; K60-V116 WeakPolarHBondContact O-CG1 3.49Å; N113-V116 HydrophobicContact CB-CG2 4.04Å; V116-Y146 HydrophobicContact CG1-CD1 3.5Å; V116-Y146 VanDerWaalsContact CG1-CD1 3.5Å; V116-Y146 HydrophobicContact CG1-CE1 3.37Å; V116-L148 HydrophobicContact CG1-CD2 4.21Å; V116-L148 HydrophobicContact CG2-CD2 3.96Å | ||
| 117 | L | 87.1 | Confident | 88.5 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | trans | -67.7 | 140.4 | 180 | -68.6 | 178.5 | 0 | 0 | 0 | 111.2 | K60 C61 V83 K119 Y146 | K60-L117 HydrophobicContact CB-CD1 4.47Å; K60-L117 HydrophobicContact CB-CD2 4.41Å; K60-L117 HydrophobicContact CB-CG 3.84Å; K60-L117 HydrophobicContact CD-CD2 4.33Å; K60-L117 PolarHBondContact O-N 2.92Å; C61-L117 HydrophobicContact CB-CB 4.39Å; C61-L117 HydrophobicContact CB-CD1 3.96Å; C61-L117 HydrophobicContact CB-CG 4.39Å; V83-L117 HydrophobicContact CG1-CD1 4.07Å; L117-K119 WeakPolarHBondContact CB-O 3.25Å; L117-Y146 WeakPolarHBondContact O-CB 3.49Å; L117-Y146 VanDerWaalsContact O-CD1 3.31Å; L117-Y146 WeakPolarHBondContact O-CD1 3.49Å | ||
| 118 | L | 86.4 | Confident | 88 | Confident | 154 Ų | 154 | 63.2 Ų | 63.2 | 81% | 0.806 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -75.2 | -33.4 | 169.3 | -67.5 | 175.6 | 0 | 0 | 0 | 112 | Y146 | L118-Y146 PolarHBondContact O-N 2.76Š|
| 119 | K | 90.6 | Very high | 88 | Confident | 104 Ų | 104 | 60.4 Ų | 60.4 | 45% | 0.452 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.5 | 178.4 | -60.3 | -170.8 | 177.3 | -173.5 | 0 | 110.7 | L117 G142 E144 | L117-K119 WeakPolarHBondContact CB-O 3.25Å; K119-G142 VanDerWaalsContact CB-O 3.27Å; K119-G142 WeakPolarHBondContact CB-O 3.19Å; K119-G142 WeakPolarHBondContact CD-O 3.21Å; K119-E144 CarbonylContact C-O 3.59Å; K119-E144 WeakPolarHBondContact CA-O 3.42Å; K119-E144 VanDerWaalsContact CB-O 3.31Å; K119-E144 WeakPolarHBondContact CB-O 3.31Å |
| 120 | F | 93.4 | Very high | 88 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 168.9 | 178.7 | 77.4 | -69.3 | 0 | 0 | 0 | 111.2 | E63 P122 G142 C143 E144 E145 Y146 | E63-F120 HydrophobicContact CB-CD2 4.11Å; E63-F120 HydrophobicContact CB-CE2 3.63Å; E63-F120 HydrophobicContact CB-CZ 4.08Å; E63-F120 HydrophobicContact CG-CD2 4.4Å; E63-F120 HydrophobicContact CG-CE1 4.35Å; E63-F120 HydrophobicContact CG-CE2 3.48Å; E63-F120 VanDerWaalsContact CG-CE2 3.48Å; E63-F120 HydrophobicContact CG-CZ 3.47Å; E63-F120 VanDerWaalsContact CG-CZ 3.47Å; F120-P122 HydrophobicContact CE2-CB 3.9Å; F120-P122 HydrophobicContact CZ-CB 4.11Å; F120-G142 VanDerWaalsContact C-CA 3.48Å; F120-G142 CarbonylContact O-C 3.59Å; F120-G142 WeakPolarHBondContact O-CA 3.38Å; F120-C143 PolarHBondContact O-N 3.32Å; F120-E144 HydrophobicContact CD1-CB 4.4Å; F120-E144 WeakPolarHBondContact CD1-O 3.38Å; F120-E144 HydrophobicContact CE1-CB 4.02Å; F120-E144 HydrophobicContact CE1-CG 4Å; F120-E144 HydrophobicContact CZ-CB 4.45Å; F120-E144 HydrophobicContact CZ-CG 4.38Å; F120-E144 PolarHBondContact N-O 3.27Å; F120-E144 PolarHBondContact O-N 3.37Å; F120-E145 WeakPolarHBondContact CE1-O 3.41Å; F120-Y146 AromaticContact CD1-CD2 3.88Å; F120-Y146 HydrophobicContact CD1-CD2 3.88Å; F120-Y146 HydrophobicContact CD1-CG 4.26Å; F120-Y146 HydrophobicContact CE1-CD2 4.23Å; F120-Y146 HydrophobicContact CG-CD2 4.26Å |
| 121 | H | 93.5 | Very high | 88 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -97.6 | 115.3 | 173.5 | -70.1 | -61.6 | 0 | 0 | 0 | 109 | Q81 Q123 W130 C132 Q135 A140 P141 C143 | Q81-H121 PolarHBondContact NE2-O 3.27Å; Q81-H121 PolarHBondContact OE1-O 2.7Å; H121-Q123 VanDerWaalsContact C-N 3.3Å; H121-Q123 PolarHBondContact O-N 3.35Å; H121-W130 HydrophobicContact CB-CD2 3.74Å; H121-W130 HydrophobicContact CB-CE3 3.35Å; H121-W130 HydrophobicContact CB-CG 4.44Å; H121-W130 HydrophobicContact CB-CH2 4.08Å; H121-W130 HydrophobicContact CB-CZ2 4.43Å; H121-W130 HydrophobicContact CB-CZ3 3.51Å; H121-W130 AromaticContact CD2-CD1 3.85Å; H121-W130 AromaticContact CD2-CD2 3.46Å; H121-W130 VanDerWaalsContact CD2-CD2 3.46Å; H121-W130 AromaticContact CD2-CE2 3.22Å; H121-W130 AromaticContact CD2-CE3 3.98Å; H121-W130 AromaticContact CD2-CG 3.89Å; H121-W130 AromaticContact CD2-CZ2 3.57Å; H121-W130 AromaticContact CD2-NE1 3.46Å; H121-W130 PolarHBondContact CD2-NE1 2.89Å; H121-W130 AromaticContact CE1-CD1 3.88Å; H121-W130 AromaticContact CG-CD2 3.47Å; H121-W130 VanDerWaalsContact CG-CD2 3.47Å; H121-W130 AromaticContact CG-CE2 3.76Å; H121-W130 AromaticContact CG-CE3 3.68Å; H121-W130 AromaticContact CG-CG 3.83Å; H121-W130 AromaticContact ND1-CG 3.95Å; H121-W130 AromaticContact NE2-CD1 3.62Å; H121-W130 AromaticContact NE2-CE2 3.76Å; H121-W130 AromaticContact NE2-CG 3.99Å; H121-W130 AromaticContact NE2-NE1 3.47Å; H121-W130 PolarHBondContact NE2-NE1 2.92Å; H121-C132 PolarHBondContact ND1-SG 3.28Å; H121-Q135 PolarHBondContact CE1-OE1 3.06Å; H121-A140 PolarHBondContact NE2-O 3.49Å; H121-P141 PolarHBondContact CE1-O 3.46Å; H121-P141 PolarHBondContact NE2-O 2.92Å; H121-C143 PolarHBondContact ND1-N 3.49Å | ||
| 122 | P | 92.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | trans | -78.2 | -12 | -174.6 | 35.5 | -39.1 | 0 | 0 | 0 | 113.1 | V65 K66 F120 C132 C143 E144 | V65-P122 CarbonylContact C-O 3.56Å; V65-P122 WeakPolarHBondContact CA-O 3.42Å; K66-P122 HydrophobicContact CD-CB 3.99Å; K66-P122 HydrophobicContact CG-CB 4.24Å; K66-P122 PolarHBondContact N-O 2.82Å; F120-P122 HydrophobicContact CE2-CB 3.9Å; F120-P122 HydrophobicContact CZ-CB 4.11Å; P122-C132 HydrophobicContact CG-CB 3.87Å; P122-C143 WeakPolarHBondContact CD-SG 3.39Å; P122-E144 VanDerWaalsContact CB-OE2 3.28Å; P122-E144 WeakPolarHBondContact CB-OE2 3.39Å; P122-E144 HydrophobicContact CG-CB 4.16Å; P122-E144 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 123 | Q | 93.9 | Very high | 88.4 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -117.4 | 170 | -179.4 | -57.3 | -164.5 | -13.5 | 0 | 0 | 111.8 | K66 H121 L131 C132 | K66-Q123 HydrophobicContact CB-CG 4.17Å; K66-Q123 WeakPolarHBondContact O-CG 3.35Å; H121-Q123 VanDerWaalsContact C-N 3.3Å; H121-Q123 PolarHBondContact O-N 3.35Å; Q123-L131 HydrophobicContact CB-CB 3.94Å; Q123-L131 PolarHBondContact OE1-O 3.03Å; Q123-C132 HydrophobicContact CB-CB 4.08Å; Q123-C132 HydrophobicContact CG-CB 3.93Å |
| 124 | F | 92.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 61 Ų | 61 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | trans | -64.1 | 146.7 | -178.2 | -65.3 | -61.6 | 0 | 0 | 0 | 113.6 | V65 N67 P79 Y90 F92 L131 | V65-F124 HydrophobicContact CB-CE1 4.26Å; V65-F124 HydrophobicContact CB-CZ 4.38Å; V65-F124 HydrophobicContact CG1-CD1 3.77Å; V65-F124 HydrophobicContact CG1-CD2 4.18Å; V65-F124 HydrophobicContact CG1-CE1 3.64Å; V65-F124 HydrophobicContact CG1-CE2 4.04Å; V65-F124 HydrophobicContact CG1-CG 4.06Å; V65-F124 HydrophobicContact CG1-CZ 3.78Å; V65-F124 HydrophobicContact CG2-CE1 4.44Å; N67-F124 WeakPolarHBondContact OD1-CE2 3.28Å; P79-F124 HydrophobicContact CB-CE1 4.3Å; P79-F124 HydrophobicContact CB-CZ 3.84Å; P79-F124 HydrophobicContact CG-CZ 4.01Å; Y90-F124 AromaticContact CD1-CD1 3.7Å; Y90-F124 HydrophobicContact CD1-CD1 3.7Å; Y90-F124 AromaticContact CD1-CE1 3.78Å; Y90-F124 HydrophobicContact CD1-CE1 3.78Å; Y90-F124 HydrophobicContact CD2-CD1 4.31Å; Y90-F124 AromaticContact CE1-CD1 3.69Å; Y90-F124 HydrophobicContact CE1-CD1 3.69Å; Y90-F124 HydrophobicContact CE1-CE1 4.21Å; Y90-F124 HydrophobicContact CE2-CD1 4.32Å; Y90-F124 HydrophobicContact CG-CD1 4.01Å; Y90-F124 HydrophobicContact CG-CE1 4.06Å; F92-F124 HydrophobicContact CE1-CE1 4.4Å; F92-F124 AromaticContact CE1-CZ 3.87Å; F92-F124 HydrophobicContact CE1-CZ 3.87Å; F92-F124 AromaticContact CZ-CE1 3.78Å; F92-F124 HydrophobicContact CZ-CE1 3.78Å; F92-F124 AromaticContact CZ-CZ 3.69Å; F92-F124 HydrophobicContact CZ-CZ 3.69Å; F124-L131 HydrophobicContact CB-CD1 4.18Å; F124-L131 WeakPolarHBondContact O-CG 3.42Å; F124-L131 PolarHBondContact O-N 2.8Å | ||
| 125 | W | 88.6 | Confident | 89 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.8 | 155.6 | 179.2 | -90.9 | 0 | 0 | 0 | 109 | R14 Y90 G128 V129 W130 A136 D137 K138 | R14-W125 PolarHBondContact NH2-O 3.43Å; Y90-W125 PolarHBondContact OH-N 2.87Å; W125-G128 VanDerWaalsContact CH2-C 3.44Å; W125-G128 WeakPolarHBondContact CH2-O 3.35Å; W125-G128 VanDerWaalsContact CZ2-CA 3.49Å; W125-G128 WeakPolarHBondContact CZ2-O 3.43Å; W125-V129 WeakPolarHBondContact CA-O 3.38Å; W125-V129 VanDerWaalsContact CE3-C 3.42Å; W125-W130 HydrophobicContact CB-CD2 4.36Å; W125-W130 HydrophobicContact CB-CE3 3.95Å; W125-W130 HydrophobicContact CB-CH2 4.07Å; W125-W130 HydrophobicContact CB-CZ2 4.43Å; W125-W130 HydrophobicContact CB-CZ3 3.83Å; W125-W130 HydrophobicContact CE3-CB 4.38Å; W125-W130 AromaticContact CE3-CD1 3.49Å; W125-W130 VanDerWaalsContact CE3-CD1 3.49Å; W125-W130 AromaticContact CE3-CD2 3.55Å; W125-W130 HydrophobicContact CE3-CD2 3.55Å; W125-W130 AromaticContact CE3-CE2 3.43Å; W125-W130 VanDerWaalsContact CE3-CE2 3.43Å; W125-W130 HydrophobicContact CE3-CE3 4.29Å; W125-W130 AromaticContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CZ2 4.08Å; W125-W130 AromaticContact CE3-NE1 3.38Å; W125-W130 AromaticContact CZ3-CD1 3.39Å; W125-W130 HydrophobicContact CZ3-CD2 4.27Å; W125-W130 AromaticContact CZ3-CE2 4Å; W125-W130 AromaticContact CZ3-CG 3.91Å; W125-W130 HydrophobicContact CZ3-CG 3.91Å; W125-W130 AromaticContact CZ3-NE1 3.44Å; W125-A136 WeakPolarHBondContact CH2-O 3.39Å; W125-D137 VanDerWaalsContact CH2-C 3.43Å; W125-D137 VanDerWaalsContact CZ3-C 3.48Å; W125-K138 HydrophobicContact CD2-CB 4.18Å; W125-K138 HydrophobicContact CD2-CD 4.34Å; W125-K138 HydrophobicContact CD2-CG 3.9Å; W125-K138 HydrophobicContact CE3-CB 4.24Å; W125-K138 HydrophobicContact CE3-CG 4.23Å; W125-K138 HydrophobicContact CG-CD 4.45Å; W125-K138 HydrophobicContact CG-CG 4.31Å; W125-K138 VanDerWaalsContact CH2-CA 3.49Å; W125-K138 HydrophobicContact CH2-CB 3.72Å; W125-K138 HydrophobicContact CH2-CG 4.5Å; W125-K138 HydrophobicContact CZ2-CB 3.65Å; W125-K138 HydrophobicContact CZ2-CD 4.46Å; W125-K138 HydrophobicContact CZ2-CG 4.2Å; W125-K138 VanDerWaalsContact CZ3-CA 3.45Å; W125-K138 HydrophobicContact CZ3-CB 4.03Å |
| 126 | L | 85.9 | Confident | 89.5 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 30% | 0.298 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.9 | -178.6 | -168.7 | 67.4 | 0 | 0 | 0 | 109.6 | L24 G128 V129 L131 | L24-L126 HydrophobicContact CD2-CD1 3.98Å; L126-G128 PolarHBondContact O-N 2.97Å; L126-V129 PolarHBondContact N-O 3.11Å; L126-V129 WeakPolarHBondContact O-CG2 3.19Å; L126-V129 PolarHBondContact O-N 2.81Å; L126-L131 HydrophobicContact CB-CD1 4.39Å; L126-L131 HydrophobicContact CB-CD2 4.5Å; L126-L131 HydrophobicContact CB-CG 4.42Å; L126-L131 HydrophobicContact CD2-CD1 4.5Å |
| 127 | E | 82.7 | Confident | 89.4 | Confident | 177 Ų | 177 | 61.1 Ų | 61.1 | 83% | 0.827 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 24.7 | 176.6 | -70.2 | 176.1 | -171.9 | 0 | 0 | 115.7 | ||
| 128 | G | 83.9 | Confident | 89.3 | Confident | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 12.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | W125 L126 A136 | W125-G128 VanDerWaalsContact CH2-C 3.44Å; W125-G128 WeakPolarHBondContact CH2-O 3.35Å; W125-G128 VanDerWaalsContact CZ2-CA 3.49Å; W125-G128 WeakPolarHBondContact CZ2-O 3.43Å; L126-G128 PolarHBondContact O-N 2.97Å; G128-A136 WeakPolarHBondContact O-CA 3.31Å |
| 129 | V | 89.6 | Confident | 89.3 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.6 | 175.5 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | W125 L126 Q135 A136 | W125-V129 WeakPolarHBondContact CA-O 3.38Å; W125-V129 VanDerWaalsContact CE3-C 3.42Å; L126-V129 PolarHBondContact N-O 3.11Å; L126-V129 WeakPolarHBondContact O-CG2 3.19Å; L126-V129 PolarHBondContact O-N 2.81Å; V129-Q135 CarbonylContact C-O 3.54Å; V129-Q135 WeakPolarHBondContact CA-O 3.45Å; V129-A136 HydrophobicContact CG1-CB 4.14Å |
| 130 | W | 91 | Very high | 89.1 | Confident | 7 Ų | 7 | 56.5 Ų | 56.5 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124.6 | 165.9 | -71.8 | 108.2 | 0 | 0 | 0 | 110.2 | Y90 H121 W125 C132 C133 R134 Q135 D137 K138 | Y90-W130 WeakPolarHBondContact OH-CZ3 3.23Å; H121-W130 HydrophobicContact CB-CD2 3.74Å; H121-W130 HydrophobicContact CB-CE3 3.35Å; H121-W130 HydrophobicContact CB-CG 4.44Å; H121-W130 HydrophobicContact CB-CH2 4.08Å; H121-W130 HydrophobicContact CB-CZ2 4.43Å; H121-W130 HydrophobicContact CB-CZ3 3.51Å; H121-W130 AromaticContact CD2-CD1 3.85Å; H121-W130 AromaticContact CD2-CD2 3.46Å; H121-W130 VanDerWaalsContact CD2-CD2 3.46Å; H121-W130 AromaticContact CD2-CE2 3.22Å; H121-W130 AromaticContact CD2-CE3 3.98Å; H121-W130 AromaticContact CD2-CG 3.89Å; H121-W130 AromaticContact CD2-CZ2 3.57Å; H121-W130 AromaticContact CD2-NE1 3.46Å; H121-W130 PolarHBondContact CD2-NE1 2.89Å; H121-W130 AromaticContact CE1-CD1 3.88Å; H121-W130 AromaticContact CG-CD2 3.47Å; H121-W130 VanDerWaalsContact CG-CD2 3.47Å; H121-W130 AromaticContact CG-CE2 3.76Å; H121-W130 AromaticContact CG-CE3 3.68Å; H121-W130 AromaticContact CG-CG 3.83Å; H121-W130 AromaticContact ND1-CG 3.95Å; H121-W130 AromaticContact NE2-CD1 3.62Å; H121-W130 AromaticContact NE2-CE2 3.76Å; H121-W130 AromaticContact NE2-CG 3.99Å; H121-W130 AromaticContact NE2-NE1 3.47Å; H121-W130 PolarHBondContact NE2-NE1 2.92Å; W125-W130 HydrophobicContact CB-CD2 4.36Å; W125-W130 HydrophobicContact CB-CE3 3.95Å; W125-W130 HydrophobicContact CB-CH2 4.07Å; W125-W130 HydrophobicContact CB-CZ2 4.43Å; W125-W130 HydrophobicContact CB-CZ3 3.83Å; W125-W130 HydrophobicContact CE3-CB 4.38Å; W125-W130 AromaticContact CE3-CD1 3.49Å; W125-W130 VanDerWaalsContact CE3-CD1 3.49Å; W125-W130 AromaticContact CE3-CD2 3.55Å; W125-W130 HydrophobicContact CE3-CD2 3.55Å; W125-W130 AromaticContact CE3-CE2 3.43Å; W125-W130 VanDerWaalsContact CE3-CE2 3.43Å; W125-W130 HydrophobicContact CE3-CE3 4.29Å; W125-W130 AromaticContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CG 3.58Å; W125-W130 HydrophobicContact CE3-CZ2 4.08Å; W125-W130 AromaticContact CE3-NE1 3.38Å; W125-W130 AromaticContact CZ3-CD1 3.39Å; W125-W130 HydrophobicContact CZ3-CD2 4.27Å; W125-W130 AromaticContact CZ3-CE2 4Å; W125-W130 AromaticContact CZ3-CG 3.91Å; W125-W130 HydrophobicContact CZ3-CG 3.91Å; W125-W130 AromaticContact CZ3-NE1 3.44Å; W130-C132 VanDerWaalsContact C-N 3.25Å; W130-C132 PolarHBondContact O-N 3.48Å; W130-C133 PolarHBondContact O-N 3.38Å; W130-R134 WeakPolarHBondContact O-CA 3.2Å; W130-R134 PolarHBondContact O-N 3.33Å; W130-Q135 PolarHBondContact N-O 2.86Å; W130-D137 PolarHBondContact NE1-O 2.76Å; W130-D137 VanDerWaalsContact NE1-O 3.16Å; W130-K138 HydrophobicContact CZ2-CG 4.37Å; W130-K138 WeakPolarHBondContact CZ2-O 3.03Å |
| 131 | L | 91.1 | Very high | 88.7 | Confident | 56 Ų | 56 | 61 Ų | 61 | 29% | 0.293 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.2 | -178.9 | -64.8 | -179.5 | 0 | 0 | 0 | 113.4 | Q123 F124 L126 | Q123-L131 HydrophobicContact CB-CB 3.94Å; Q123-L131 PolarHBondContact OE1-O 3.03Å; F124-L131 HydrophobicContact CB-CD1 4.18Å; F124-L131 WeakPolarHBondContact O-CG 3.42Å; F124-L131 PolarHBondContact O-N 2.8Å; L126-L131 HydrophobicContact CB-CD1 4.39Å; L126-L131 HydrophobicContact CB-CD2 4.5Å; L126-L131 HydrophobicContact CB-CG 4.42Å; L126-L131 HydrophobicContact CD2-CD1 4.5Å |
| 132 | C | 90.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -37.5 | -179.3 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | H121 P122 Q123 W130 C143 | H121-C132 PolarHBondContact ND1-SG 3.28Å; P122-C132 HydrophobicContact CG-CB 3.87Å; Q123-C132 HydrophobicContact CB-CB 4.08Å; Q123-C132 HydrophobicContact CG-CB 3.93Å; W130-C132 VanDerWaalsContact C-N 3.25Å; W130-C132 PolarHBondContact O-N 3.48Å; C132-C143 WeakPolarHBondContact CB-SG 3.42Å; C132-C143 WeakPolarHBondContact SG-CB 3.2Å; C132-C143 CovalentContact SG-SG 2.09Å; C132-C143 PolarHBondContact SG-SG 2.89Å |
| 133 | C | 90.1 | Very high | 88.4 | Confident | 43 Ų | 43 | 63.4 Ų | 63.4 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | 1.2 | -166 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | W130 Q135 C143 | W130-C133 PolarHBondContact O-N 3.38Å; C133-Q135 HydrophobicContact CB-CG 4.45Å; C133-Q135 PolarHBondContact O-N 2.83Å; C133-Q135 VanDerWaalsContact O-N 3.1Å; C133-Q135 VanDerWaalsContact SG-CD 3.52Å; C133-Q135 WeakPolarHBondContact SG-CG 3.31Å; C133-C143 HydrophobicContact CB-CB 3.69Å |
| 134 | R | 90.5 | Very high | 88.3 | Confident | 179 Ų | 179 | 64.5 Ų | 64.5 | 68% | 0.675 | 35% | 0.347 | S | S | * | . | trans | 59.4 | 14.9 | -178.8 | -55.9 | -64.3 | -171.7 | 163.9 | 1.4 | 115.3 | W130 A136 | W130-R134 WeakPolarHBondContact O-CA 3.2Å; W130-R134 PolarHBondContact O-N 3.33Å; R134-A136 PolarHBondContact O-N 2.93Å | ||
| 135 | Q | 89.1 | Confident | 88.2 | Confident | 68 Ų | 68 | 71 Ų | 71 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | trans | -62.2 | 130.2 | 172.8 | -73.3 | 174.1 | -9.9 | 0 | 0 | 110.5 | H121 V129 W130 C133 A140 P141 | H121-Q135 PolarHBondContact CE1-OE1 3.06Å; V129-Q135 CarbonylContact C-O 3.54Å; V129-Q135 WeakPolarHBondContact CA-O 3.45Å; W130-Q135 PolarHBondContact N-O 2.86Å; C133-Q135 HydrophobicContact CB-CG 4.45Å; C133-Q135 PolarHBondContact O-N 2.83Å; C133-Q135 VanDerWaalsContact O-N 3.1Å; C133-Q135 VanDerWaalsContact SG-CD 3.52Å; C133-Q135 WeakPolarHBondContact SG-CG 3.31Å; Q135-A140 HydrophobicContact CB-CB 4.07Å; Q135-A140 HydrophobicContact CG-CB 4.37Å; Q135-P141 PolarHBondContact OE1-O 3.46Å | ||
| 136 | A | 88.7 | Confident | 88.2 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -93.4 | 4.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W125 G128 V129 R134 | W125-A136 WeakPolarHBondContact CH2-O 3.39Å; G128-A136 WeakPolarHBondContact O-CA 3.31Å; V129-A136 HydrophobicContact CG1-CB 4.14Å; R134-A136 PolarHBondContact O-N 2.93Å |
| 137 | D | 86.3 | Confident | 88.1 | Confident | 96 Ų | 96 | 72.5 Ų | 72.5 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | trans | -108 | 125.3 | 171.7 | -178.5 | 3.8 | 0 | 0 | 0 | 110.3 | W125 W130 Q139 A140 | W125-D137 VanDerWaalsContact CH2-C 3.43Å; W125-D137 VanDerWaalsContact CZ3-C 3.48Å; W130-D137 PolarHBondContact NE1-O 2.76Å; W130-D137 VanDerWaalsContact NE1-O 3.16Å; D137-Q139 PolarHBondContact O-N 3.34Å; D137-Q139 PolarHBondContact OD1-N 3.26Å; D137-A140 HydrophobicContact CB-CB 4.2Å; D137-A140 WeakPolarHBondContact O-CB 3.31Å; D137-A140 PolarHBondContact O-N 3.33Å; D137-A140 VanDerWaalsContact O-N 3.12Å | ||
| 138 | K | 84.6 | Confident | 87.9 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -22 | -179.3 | -164.8 | 172.4 | -178.3 | 178 | 0 | 112.1 | Q16 Q17 W125 W130 | Q16-K138 PolarHBondContact O-NZ 2.89Å; Q17-K138 PolarHBondContact O-NZ 2.93Å; W125-K138 HydrophobicContact CD2-CB 4.18Å; W125-K138 HydrophobicContact CD2-CD 4.34Å; W125-K138 HydrophobicContact CD2-CG 3.9Å; W125-K138 HydrophobicContact CE3-CB 4.24Å; W125-K138 HydrophobicContact CE3-CG 4.23Å; W125-K138 HydrophobicContact CG-CD 4.45Å; W125-K138 HydrophobicContact CG-CG 4.31Å; W125-K138 VanDerWaalsContact CH2-CA 3.49Å; W125-K138 HydrophobicContact CH2-CB 3.72Å; W125-K138 HydrophobicContact CH2-CG 4.5Å; W125-K138 HydrophobicContact CZ2-CB 3.65Å; W125-K138 HydrophobicContact CZ2-CD 4.46Å; W125-K138 HydrophobicContact CZ2-CG 4.2Å; W125-K138 VanDerWaalsContact CZ3-CA 3.45Å; W125-K138 HydrophobicContact CZ3-CB 4.03Å; W130-K138 HydrophobicContact CZ2-CG 4.37Å; W130-K138 WeakPolarHBondContact CZ2-O 3.03Å |
| 139 | Q | 85.3 | Confident | 87.1 | Confident | 146 Ų | 146 | 71.6 Ų | 71.6 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 3.7 | 177.4 | -58.8 | -172.8 | 23.9 | 0 | 0 | 113.1 | D137 | D137-Q139 PolarHBondContact O-N 3.34Å; D137-Q139 PolarHBondContact OD1-N 3.26Å |
| 140 | A | 86.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 14% | 0.14 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -59.2 | 144.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H121 Q135 D137 | H121-A140 PolarHBondContact NE2-O 3.49Å; Q135-A140 HydrophobicContact CB-CB 4.07Å; Q135-A140 HydrophobicContact CG-CB 4.37Å; D137-A140 HydrophobicContact CB-CB 4.2Å; D137-A140 WeakPolarHBondContact O-CB 3.31Å; D137-A140 PolarHBondContact O-N 3.33Å; D137-A140 VanDerWaalsContact O-N 3.12Å |
| 141 | P | 85.4 | Confident | 83.2 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 142.8 | 179.7 | 25.3 | -34 | 0 | 0 | 0 | 111 | H121 Q135 | H121-P141 PolarHBondContact CE1-O 3.46Å; H121-P141 PolarHBondContact NE2-O 2.92Å; Q135-P141 PolarHBondContact OE1-O 3.46Å |
| 142 | G | 89.8 | Confident | 81.1 | Confident | 13 Ų | 13 | 79.7 Ų | 79.7 | 13% | 0.134 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 148.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K119 F120 | K119-G142 VanDerWaalsContact CB-O 3.27Å; K119-G142 WeakPolarHBondContact CB-O 3.19Å; K119-G142 WeakPolarHBondContact CD-O 3.21Å; F120-G142 VanDerWaalsContact C-CA 3.48Å; F120-G142 CarbonylContact O-C 3.59Å; F120-G142 WeakPolarHBondContact O-CA 3.38Å |
| 143 | C | 89.9 | Confident | 78.6 | Confident | 53 Ų | 53 | 82.2 Ų | 82.2 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -89.5 | -15.3 | -178.9 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | F120 H121 P122 C132 C133 | F120-C143 PolarHBondContact O-N 3.32Å; H121-C143 PolarHBondContact ND1-N 3.49Å; P122-C143 WeakPolarHBondContact CD-SG 3.39Å; C132-C143 WeakPolarHBondContact CB-SG 3.42Å; C132-C143 WeakPolarHBondContact SG-CB 3.2Å; C132-C143 CovalentContact SG-SG 2.09Å; C132-C143 PolarHBondContact SG-SG 2.89Å; C133-C143 HydrophobicContact CB-CB 3.69Å |
| 144 | E | 91.6 | Very high | 75.9 | Confident | 69 Ų | 69 | 91.5 Ų | 91.5 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.5 | -178.4 | -171.6 | 168.6 | 153.2 | 0 | 0 | 111.1 | K66 K119 F120 P122 Y146 | K66-E144 IonicContact NZ-OE1 3.63Å; K66-E144 PolarHBondContact NZ-OE1 3.17Å; K66-E144 IonicContact NZ-OE2 3.14Å; K66-E144 PolarHBondContact NZ-OE2 3.25Å; K119-E144 CarbonylContact C-O 3.59Å; K119-E144 WeakPolarHBondContact CA-O 3.42Å; K119-E144 VanDerWaalsContact CB-O 3.31Å; K119-E144 WeakPolarHBondContact CB-O 3.31Å; F120-E144 HydrophobicContact CD1-CB 4.4Å; F120-E144 WeakPolarHBondContact CD1-O 3.38Å; F120-E144 HydrophobicContact CE1-CB 4.02Å; F120-E144 HydrophobicContact CE1-CG 4Å; F120-E144 HydrophobicContact CZ-CB 4.45Å; F120-E144 HydrophobicContact CZ-CG 4.38Å; F120-E144 PolarHBondContact N-O 3.27Å; F120-E144 PolarHBondContact O-N 3.37Å; P122-E144 VanDerWaalsContact CB-OE2 3.28Å; P122-E144 WeakPolarHBondContact CB-OE2 3.39Å; P122-E144 HydrophobicContact CG-CB 4.16Å; P122-E144 WeakPolarHBondContact CG-OE2 3.49Å; E144-Y146 PolarHBondContact O-N 2.53Å |
| 145 | E | 90.9 | Very high | 73.1 | Confident | 151 Ų | 151 | 92.6 Ų | 92.6 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 131.2 | 178.1 | -68.6 | -173.9 | 171.3 | 0 | 0 | 111.4 | F120 | F120-E145 WeakPolarHBondContact CE1-O 3.41Å |
| 146 | Y | 89.1 | Confident | 70.4 | Confident | 20 Ų | 20 | 95.3 Ų | 95.3 | 8% | 0.078 | 51% | 0.509 | C | S | . | . | trans | -91.4 | 116.3 | 179 | -178.1 | -115.7 | 0 | 0 | 0 | 110.4 | C61 V62 E63 V116 L117 L118 F120 E144 L148 | C61-Y146 HydrophobicContact CB-CD2 4.42Å; C61-Y146 HydrophobicContact CB-CE1 4.42Å; C61-Y146 HydrophobicContact CB-CE2 4.26Å; C61-Y146 WeakPolarHBondContact SG-CD2 2.89Å; C61-Y146 WeakPolarHBondContact SG-CE2 3.16Å; V62-Y146 PolarHBondContact N-OH 3.46Å; V62-Y146 WeakPolarHBondContact O-CE2 3.45Å; V62-Y146 PolarHBondContact O-OH 3Å; E63-Y146 HydrophobicContact CB-CE2 4.19Å; V116-Y146 HydrophobicContact CG1-CD1 3.5Å; V116-Y146 VanDerWaalsContact CG1-CD1 3.5Å; V116-Y146 HydrophobicContact CG1-CE1 3.37Å; L117-Y146 WeakPolarHBondContact O-CB 3.49Å; L117-Y146 VanDerWaalsContact O-CD1 3.31Å; L117-Y146 WeakPolarHBondContact O-CD1 3.49Å; L118-Y146 PolarHBondContact O-N 2.76Å; F120-Y146 AromaticContact CD1-CD2 3.88Å; F120-Y146 HydrophobicContact CD1-CD2 3.88Å; F120-Y146 HydrophobicContact CD1-CG 4.26Å; F120-Y146 HydrophobicContact CE1-CD2 4.23Å; F120-Y146 HydrophobicContact CG-CD2 4.26Å; E144-Y146 PolarHBondContact O-N 2.53Å; Y146-L148 HydrophobicContact CD1-CB 4.46Å; Y146-L148 HydrophobicContact CE1-CB 3.84Å; Y146-L148 HydrophobicContact CE1-CD1 3.8Å; Y146-L148 HydrophobicContact CE1-CG 4.37Å; Y146-L148 VanDerWaalsContact OH-CD1 3.24Å; Y146-L148 WeakPolarHBondContact OH-CD1 3.22Å | ||
| 147 | N | 84.1 | Confident | 67.8 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | trans | -103.3 | 102.2 | 173.7 | -164.6 | -9.6 | 0 | 0 | 0 | 110.7 | K107 L149 G150 | K107-N147 PolarHBondContact NZ-O 3.25Å; N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 PolarHBondContact O-N 2.74Å; N147-L149 PolarHBondContact OD1-N 2.89Å; N147-L149 VanDerWaalsContact OD1-N 3.12Å; N147-G150 WeakPolarHBondContact ND2-CA 3.36Å; N147-G150 PolarHBondContact OD1-N 3.14Å | ||
| 148 | L | 76.6 | Confident | 65.4 | Low | 32 Ų | 32 | 100 Ų | 100 | 17% | 0.168 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -29.3 | 177.9 | -173.7 | 63.1 | 0 | 0 | 0 | 112.4 | K107 I110 V116 Y146 | K107-L148 HydrophobicContact CB-CD1 4.31Å; K107-L148 HydrophobicContact CG-CD1 4.18Å; I110-L148 HydrophobicContact CD1-CD1 3.83Å; I110-L148 HydrophobicContact CG1-CD1 3.77Å; V116-L148 HydrophobicContact CG1-CD2 4.21Å; V116-L148 HydrophobicContact CG2-CD2 3.96Å; Y146-L148 HydrophobicContact CD1-CB 4.46Å; Y146-L148 HydrophobicContact CE1-CB 3.84Å; Y146-L148 HydrophobicContact CE1-CD1 3.8Å; Y146-L148 HydrophobicContact CE1-CG 4.37Å; Y146-L148 VanDerWaalsContact OH-CD1 3.24Å; Y146-L148 WeakPolarHBondContact OH-CD1 3.22Å |
| 149 | L | 67.8 | Low | 63.1 | Low | 143 Ų | 143 | 103.3 Ų | 103.3 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 9.2 | -175.5 | -65.2 | 169 | 0 | 0 | 0 | 113 | N147 D151 | N147-L149 VanDerWaalsContact C-N 3.27Å; N147-L149 PolarHBondContact O-N 2.74Å; N147-L149 PolarHBondContact OD1-N 2.89Å; N147-L149 VanDerWaalsContact OD1-N 3.12Å; L149-D151 PolarHBondContact O-N 3.14Å |
| 150 | G | 56.8 | Low | 60.6 | Low | 23 Ų | 23 | 104 Ų | 104 | 24% | 0.237 | 56% | 0.562 | C | S | . | * | trans | -75.6 | 120.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N147 I152 | N147-G150 WeakPolarHBondContact ND2-CA 3.36Å; N147-G150 PolarHBondContact OD1-N 3.14Å; G150-I152 PolarHBondContact O-N 3.44Å | ||
| 151 | D | 42.5 | Very low | 58.5 | Low | 149 Ų | 149 | 108.9 Ų | 108.9 | 80% | 0.797 | 59% | 0.593 | S | S | * | * | trans | -52.5 | 127.9 | 173.1 | -91.1 | -36.1 | 0 | 0 | 0 | 111.7 | L149 S153 | L149-D151 PolarHBondContact O-N 3.14Å; D151-S153 PolarHBondContact O-N 3.41Å | ||
| 152 | I | 45.8 | Very low | 56.1 | Low | 100 Ų | 100 | 107.9 Ų | 107.9 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -76 | 26.1 | 176.1 | -52.3 | 173.8 | 0 | 0 | 0 | 110.9 | G150 | G150-I152 PolarHBondContact O-N 3.44Š|
| 153 | S | 37.9 | Very low | 53.4 | Low | 91 Ų | 91 | 116.6 Ų | 116.6 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | trans | -139.5 | 90.5 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 110.1 | D151 | D151-S153 PolarHBondContact O-N 3.41Š| ||
| 154 | R | 35.1 | Very low | 50.5 | Low | 239 Ų | 239 | 123.4 Ų | 123.4 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -177.3 | 115.3 | 150 | -97.3 | 155 | -161.6 | -148.5 | 6.6 | 109.7 | ||||
| 155 | K | 31.9 | Very low | 48 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 140.6 | 158.7 | -80.3 | 174.1 | 175.5 | 171.9 | 0 | 108.3 | ||
| 156 | P | 32.5 | Very low | 45.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 131.9 | 171.5 | 11.3 | 1.9 | 0 | 0 | 0 | 110 | ||
| 157 | L | 33.4 | Very low | 42.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 149.4 | 167.4 | -76.4 | 161.6 | 0 | 0 | 0 | 110.2 | ||
| 158 | P | 35.1 | Very low | 40.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 152.8 | 174.3 | 29.1 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 159 | P | 36.1 | Very low | 38.6 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 140.6 | -174.4 | 33.2 | -31.8 | 0 | 0 | 0 | 111.2 | ||
| 160 | I | 34.2 | Very low | 37.2 | Very low | 159 Ų | 159 | 153.9 Ų | 153.9 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -129.8 | 140.2 | 167 | -59.3 | -178.9 | 0 | 0 | 0 | 108.3 | ||||
| 161 | P | 41.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 158.3 Ų | 158.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -89.1 | 151.1 | -161.4 | 23.8 | -11.6 | 0 | 0 | 0 | 114.1 | ||||
| 162 | G | 35.8 | Very low | 36.4 | Very low | 80 Ų | 80 | 156.3 Ų | 156.3 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | 86.9 | 111.4 | 154 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 163 | Q | 32.8 | Very low | 35.9 | Very low | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -71.4 | 143.1 | 170.7 | -74.6 | 178.2 | -53.2 | 0 | 0 | 111.9 | ||||
| 164 | E | 29.2 | Very low | 35.8 | Very low | 197 Ų | 197 | 159.1 Ų | 159.1 | 92% | 0.921 | 83% | 0.834 | S | S | * | * | trans | -155.5 | 148 | 130 | -115 | 176.8 | -162.9 | 0 | 0 | 112.8 | ||||
| 165 | N | 38.9 | Very low | 36.2 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -60.9 | 144.2 | -169.5 | -86.7 | -42.8 | 0 | 0 | 0 | 115.1 | ||||
| 166 | T | 30 | Very low | 36.4 | Very low | 147 Ų | 147 | 152.2 Ų | 152.2 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | 173.6 | 145.2 | 120.4 | 34.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 167 | R | 43.3 | Very low | 36.5 | Very low | 242 Ų | 242 | 152.9 Ų | 152.9 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -58.5 | 141.6 | -178.3 | -69.2 | 169.5 | 165.2 | 179.2 | -5.1 | 113.8 | ||||
| 168 | R | 30.1 | Very low | 36.7 | Very low | 247 Ų | 247 | 153.5 Ų | 153.5 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -171.6 | 166.3 | 148.7 | -104.6 | 172.2 | -165.2 | -150.3 | 5 | 112.5 | ||||
| 169 | P | 39.6 | Very low | 36.7 | Very low | 118 Ų | 118 | 155.9 Ų | 155.9 | 77% | 0.766 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 171.4 | -135.9 | 33.9 | -23.7 | 0 | 0 | 0 | 115.5 | ||
| 170 | R | 38.6 | Very low | 36.8 | Very low | 244 Ų | 244 | 158.4 Ų | 158.4 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 134.6 | -174.4 | -74.1 | -175.2 | -175.5 | -167.9 | 1.4 | 113.1 | ||
| 171 | P | 38.3 | Very low | 37.3 | Very low | 115 Ų | 115 | 157.8 Ų | 157.8 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 162 | 170 | 2.8 | 14.3 | 0 | 0 | 0 | 112.4 | ||
| 172 | P | 43.3 | Very low | 38.2 | Very low | 108 Ų | 108 | 159.7 Ų | 159.7 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 167.8 | 178.1 | 2.4 | 12.6 | 0 | 0 | 0 | 111.9 | V174 | P172-V174 PolarHBondContact O-N 2.9Š|
| 173 | P | 37.1 | Very low | 40.3 | Very low | 130 Ų | 130 | 161.5 Ų | 161.5 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.2 | 176.5 | 9 | -0.5 | 0 | 0 | 0 | 109.8 | ||
| 174 | V | 35.9 | Very low | 42.9 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.1 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 108.5 | P172 | P172-V174 PolarHBondContact O-N 2.9Š|
| 175 | P | 42.4 | Very low | 45.8 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.8 | 173 | -15.4 | 29 | 0 | 0 | 0 | 110.2 | D177 | P175-D177 PolarHBondContact O-N 3.02Å; P175-D177 VanDerWaalsContact O-N 3.11Å |
| 176 | Q | 36.7 | Very low | 48.3 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -65 | 110.9 | 169.7 | -71.5 | 172.7 | -15.4 | 0 | 0 | 107.6 | E178 | Q176-E178 PolarHBondContact O-N 2.85Š| ||
| 177 | D | 34.1 | Very low | 51.1 | Low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | trans | -66.4 | 109.8 | 164.2 | -70.8 | -41.1 | 0 | 0 | 0 | 106.8 | P175 D179 | P175-D177 PolarHBondContact O-N 3.02Å; P175-D177 VanDerWaalsContact O-N 3.11Å; D177-D179 PolarHBondContact O-N 2.72Å | ||
| 178 | E | 37.1 | Very low | 53.3 | Low | 180 Ų | 180 | 124.2 Ų | 124.2 | 84% | 0.841 | 64% | 0.641 | S | S | * | * | trans | -65.9 | 115.8 | 159.6 | -68.5 | 178.2 | 166.3 | 0 | 0 | 106.1 | Q176 E180 | Q176-E178 PolarHBondContact O-N 2.85Å; E178-E180 PolarHBondContact O-N 3.43Å | ||
| 179 | D | 35.3 | Very low | 55.8 | Low | 155 Ų | 155 | 113.4 Ų | 113.4 | 83% | 0.829 | 60% | 0.601 | S | S | * | * | trans | -60.7 | 100.2 | 169.9 | -73.3 | -54.4 | 0 | 0 | 0 | 107.7 | D177 D181 | D177-D179 PolarHBondContact O-N 2.72Å; D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 2.87Å | ||
| 180 | E | 39.2 | Very low | 58 | Low | 179 Ų | 179 | 111 Ų | 111 | 84% | 0.836 | 58% | 0.578 | S | S | * | * | trans | -66.2 | 92.7 | 163.1 | -78.1 | -179.6 | 160.4 | 0 | 0 | 107.5 | E178 D182 | E178-E180 PolarHBondContact O-N 3.43Å; E180-D182 PolarHBondContact O-N 2.83Å; E180-D182 VanDerWaalsContact O-N 3.07Å | ||
| 181 | D | 44.9 | Very low | 60.4 | Low | 147 Ų | 147 | 103.8 Ų | 103.8 | 79% | 0.786 | 56% | 0.557 | S | S | * | * | trans | -59.5 | 104.7 | 158.6 | -89.4 | -38.4 | 0 | 0 | 0 | 106.6 | D179 E183 | D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 PolarHBondContact O-N 2.87Å; D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 2.75Å | ||
| 182 | D | 60.1 | Low | 62.9 | Low | 161 Ų | 161 | 98.6 Ų | 98.6 | 86% | 0.861 | 52% | 0.523 | S | S | * | . | trans | -58.9 | 93.1 | 171.1 | -90 | -34.2 | 0 | 0 | 0 | 108.6 | E180 E184 | E180-D182 PolarHBondContact O-N 2.83Å; E180-D182 VanDerWaalsContact O-N 3.07Å; D182-E184 PolarHBondContact O-N 2.98Å | ||
| 183 | E | 78.8 | Confident | 65.1 | Low | 118 Ų | 118 | 97.5 Ų | 97.5 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | trans | -59.3 | 120.7 | 177.3 | -73.1 | -170.8 | 161.1 | 0 | 0 | 109.5 | D181 V185 V209 | D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 2.75Å; E183-V185 WeakPolarHBondContact O-CG2 3.38Å; E183-V185 PolarHBondContact O-N 3.48Å; E183-V209 HydrophobicContact CB-CG1 3.81Å; E183-V209 HydrophobicContact CB-CG2 4.49Å; E183-V209 HydrophobicContact CG-CG1 4.06Å; E183-V209 WeakPolarHBondContact OE2-CG2 3.31Å | ||
| 184 | E | 89.2 | Confident | 67.4 | Low | 92 Ų | 92 | 92.4 Ų | 92.4 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | trans | -70.8 | 97.9 | 177.7 | -177.2 | 178.1 | 178.9 | 0 | 0 | 109.4 | D182 I210 K213 | D182-E184 PolarHBondContact O-N 2.98Å; E184-I210 HydrophobicContact CB-CB 4.27Å; E184-I210 HydrophobicContact CG-CB 4.43Å; E184-I210 HydrophobicContact CG-CG1 4.37Å; E184-I210 PolarHBondContact O-N 3.07Å; E184-K213 WeakPolarHBondContact OE1-CE 3.26Å; E184-K213 IonicContact OE1-NZ 2.65Å; E184-K213 PolarHBondContact OE1-NZ 2.93Å; E184-K213 WeakPolarHBondContact OE2-CE 3.32Å; E184-K213 IonicContact OE2-NZ 2.8Å; E184-K213 PolarHBondContact OE2-NZ 2.7Å | ||
| 185 | V | 89.9 | Confident | 69.8 | Low | 41 Ų | 41 | 88.1 Ų | 88.1 | 25% | 0.248 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.5 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | E183 E207 Y208 V209 K239 | E183-V185 WeakPolarHBondContact O-CG2 3.38Å; E183-V185 PolarHBondContact O-N 3.48Å; V185-E207 HydrophobicContact CG1-CB 4.09Å; V185-Y208 WeakPolarHBondContact CA-O 3.44Å; V185-V209 HydrophobicContact CG2-CG2 4.41Å; V185-K239 HydrophobicContact CB-CB 4.32Å; V185-K239 HydrophobicContact CB-CD 4.11Å; V185-K239 HydrophobicContact CG1-CB 4.34Å; V185-K239 HydrophobicContact CG1-CD 3.68Å; V185-K239 WeakPolarHBondContact O-CB 3.33Å; V185-K239 PolarHBondContact O-N 2.94Å; V185-K239 VanDerWaalsContact O-N 3.1Å |
| 186 | V | 90.4 | Very high | 72 | Confident | 4 Ų | 4 | 84.9 Ų | 84.9 | 2% | 0.024 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 156.5 | 173 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | E207 Y208 I210 V236 T237 | V186-E207 CarbonylContact O-C 3.56Å; V186-E207 WeakPolarHBondContact O-CA 3.11Å; V186-Y208 WeakPolarHBondContact CG2-O 3.47Å; V186-Y208 PolarHBondContact N-O 3.03Å; V186-Y208 PolarHBondContact O-N 2.79Å; V186-I210 HydrophobicContact CB-CD1 4.42Å; V186-I210 HydrophobicContact CB-CG1 4.44Å; V186-I210 HydrophobicContact CG1-CD1 3.95Å; V186-I210 HydrophobicContact CG1-CG1 3.61Å; V186-I210 HydrophobicContact CG2-CD1 3.58Å; V186-I210 HydrophobicContact CG2-CG1 4.01Å; V186-V236 HydrophobicContact CB-CB 4Å; V186-V236 HydrophobicContact CB-CG2 4.3Å; V186-V236 HydrophobicContact CG2-CB 3.82Å; V186-V236 HydrophobicContact CG2-CG1 4.05Å; V186-V236 HydrophobicContact CG2-CG2 4.07Å; V186-T237 CarbonylContact C-O 3.53Å; V186-T237 WeakPolarHBondContact CA-O 3.38Å; V186-T237 VanDerWaalsContact CB-O 3.22Å; V186-T237 WeakPolarHBondContact CB-O 3.38Å |
| 187 | V | 88.8 | Confident | 74.4 | Confident | 13 Ų | 13 | 82.1 Ų | 82.1 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.9 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | L189 G206 E207 V236 T237 K239 | V187-L189 PolarHBondContact O-N 2.85Å; V187-G206 CarbonylContact C-O 3.56Å; V187-G206 WeakPolarHBondContact CA-O 3.1Å; V187-E207 HydrophobicContact CG2-CG 4.44Å; V187-V236 VanDerWaalsContact O-CA 3.31Å; V187-V236 WeakPolarHBondContact O-CA 3.5Å; V187-T237 HydrophobicContact CB-CG2 4.15Å; V187-T237 PolarHBondContact N-O 3Å; V187-T237 PolarHBondContact O-N 3.3Å; V187-K239 HydrophobicContact CG2-CB 4.19Å; V187-K239 HydrophobicContact CG2-CG 4.06Å |
| 188 | A | 89.4 | Confident | 77.2 | Confident | 2 Ų | 2 | 78.8 Ų | 78.8 | 2% | 0.017 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L202 V203 G205 G206 Y208 | A188-L202 HydrophobicContact CB-CB 4.04Å; A188-L202 HydrophobicContact CB-CD2 4.38Å; A188-V203 VanDerWaalsContact CB-O 3.31Å; A188-V203 WeakPolarHBondContact CB-O 3.38Å; A188-G205 PolarHBondContact O-N 3.38Å; A188-G206 PolarHBondContact N-O 3.28Å; A188-Y208 HydrophobicContact CB-CD2 4.23Å; A188-Y208 HydrophobicContact CB-CE2 3.71Å |
| 189 | L | 82.3 | Confident | 79.9 | Confident | 19 Ų | 19 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -81.8 | -29.6 | 175.6 | -64.1 | 175.1 | 0 | 0 | 0 | 112.4 | V187 R204 Y235 T237 V245 | V187-L189 PolarHBondContact O-N 2.85Å; L189-R204 WeakPolarHBondContact O-CD 3.31Å; L189-R204 WeakPolarHBondContact O-CG 3.39Å; L189-R204 PolarHBondContact O-NE 3.09Å; L189-Y235 WeakPolarHBondContact CB-O 3.1Å; L189-Y235 PolarHBondContact N-O 3.21Å; L189-T237 HydrophobicContact CD1-CG2 4.47Å; L189-T237 HydrophobicContact CD2-CG2 3.72Å; L189-T237 HydrophobicContact CG-CG2 4.04Å; L189-V245 HydrophobicContact CD1-CB 4.14Å; L189-V245 HydrophobicContact CD1-CG1 3.43Å; L189-V245 VanDerWaalsContact CD1-CG1 3.43Å; L189-V245 HydrophobicContact CD2-CB 3.88Å; L189-V245 HydrophobicContact CD2-CG1 3.66Å; L189-V245 HydrophobicContact CG-CG1 4.1Å |
| 190 | Y | 85.7 | Confident | 82.7 | Confident | 68 Ų | 68 | 64 Ų | 64 | 27% | 0.267 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -138.7 | 158 | -176.6 | -48.5 | -86.8 | 0 | 0 | 0 | 110.8 | Y235 P356 | Y190-Y235 HydrophobicContact CD2-CD1 4.43Å; Y190-Y235 HydrophobicContact CD2-CG 4.36Å; Y190-P356 HydrophobicContact CD2-CG 4.4Å; Y190-P356 VanDerWaalsContact CE2-CD 3.44Å; Y190-P356 HydrophobicContact CE2-CG 4.1Å |
| 191 | D | 89.5 | Confident | 85.4 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | trans | -71.2 | 133.2 | 169.5 | -65.3 | -28.5 | 0 | 0 | 0 | 109.8 | L202 R204 Y235 | D191-L202 WeakPolarHBondContact CA-O 3.33Å; D191-R204 WeakPolarHBondContact OD1-CB 3.41Å; D191-R204 PolarHBondContact OD1-N 3.22Å; D191-Y235 WeakPolarHBondContact O-CE1 3.49Å | ||
| 192 | F | 91.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 112.2 | 170.9 | 176.6 | -119.1 | 0 | 0 | 0 | 108 | G194 M195 D199 L200 K201 L202 W218 P232 Y235 | F192-G194 PolarHBondContact O-N 3.18Å; F192-M195 HydrophobicContact CE2-CG 4.14Å; F192-M195 HydrophobicContact CZ-CG 4.38Å; F192-D199 HydrophobicContact CE1-CB 3.88Å; F192-D199 HydrophobicContact CZ-CB 4.26Å; F192-L200 WeakPolarHBondContact CD1-O 3.28Å; F192-K201 CarbonylContact O-C 3.56Å; F192-K201 VanDerWaalsContact O-CA 3.25Å; F192-K201 WeakPolarHBondContact O-CA 3.45Å; F192-K201 VanDerWaalsContact O-CG 3.28Å; F192-K201 WeakPolarHBondContact O-CG 3.34Å; F192-L202 HydrophobicContact CB-CB 3.7Å; F192-L202 HydrophobicContact CB-CD1 3.94Å; F192-L202 HydrophobicContact CB-CG 3.9Å; F192-L202 HydrophobicContact CD1-CG 4.45Å; F192-L202 PolarHBondContact N-O 2.76Å; F192-L202 PolarHBondContact O-N 3.23Å; F192-W218 HydrophobicContact CE1-CZ3 4.44Å; F192-W218 HydrophobicContact CZ-CH2 4.08Å; F192-W218 HydrophobicContact CZ-CZ3 4.08Å; F192-P232 HydrophobicContact CD1-CG 4.28Å; F192-P232 HydrophobicContact CD2-CG 4.02Å; F192-P232 HydrophobicContact CE1-CG 4.45Å; F192-P232 HydrophobicContact CE2-CG 4.22Å; F192-P232 HydrophobicContact CG-CG 4.06Å; F192-P232 HydrophobicContact CZ-CG 4.44Å; F192-Y235 HydrophobicContact CB-CD1 3.78Å; F192-Y235 HydrophobicContact CB-CE1 4.04Å; F192-Y235 HydrophobicContact CD2-CE1 4.3Å |
| 193 | P | 88.8 | Confident | 89.2 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | trans | -70.5 | -14.7 | -172.2 | 26.8 | -34.2 | 0 | 0 | 0 | 114.3 | ||||
| 194 | G | 86.3 | Confident | 89.6 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | trans | 74.9 | 123 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F192 | F192-G194 PolarHBondContact O-N 3.18Š| ||
| 195 | M | 84.9 | Confident | 89.2 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -98.5 | -27 | -175.9 | -61.9 | -70.2 | -106.3 | 0 | 0 | 111.3 | F192 D199 F361 W392 R393 H396 | F192-M195 HydrophobicContact CE2-CG 4.14Å; F192-M195 HydrophobicContact CZ-CG 4.38Å; M195-D199 WeakPolarHBondContact CA-OD2 3.25Å; M195-D199 PolarHBondContact N-OD2 2.74Å; M195-F361 WeakPolarHBondContact CB-O 3.49Å; M195-F361 HydrophobicContact CE-CB 4.48Å; M195-F361 HydrophobicContact CE-CD1 3.57Å; M195-F361 HydrophobicContact CE-CE1 4.18Å; M195-F361 HydrophobicContact CE-CG 4.34Å; M195-F361 WeakPolarHBondContact CG-O 3.42Å; M195-W392 HydrophobicContact CB-CH2 4.36Å; M195-W392 HydrophobicContact CE-CE3 3.97Å; M195-W392 HydrophobicContact CE-CH2 4.08Å; M195-W392 HydrophobicContact CE-CZ3 3.26Å; M195-W392 HydrophobicContact SD-CZ3 4.02Å; M195-R393 PolarHBondContact O-NH1 3.4Å; M195-H396 WeakPolarHBondContact CE-CE1 3.29Å; M195-H396 VanDerWaalsContact SD-CE1 3.58Å |
| 196 | E | 88.9 | Confident | 89.1 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 17% | 0.173 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -125.1 | 160 | 176.9 | -66.3 | -58.5 | 141.6 | 0 | 0 | 111.8 | H198 D199 R393 | E196-H198 VanDerWaalsContact CB-CE1 3.4Å; E196-H198 WeakPolarHBondContact CB-CE1 3.49Å; E196-H198 PolarHBondContact O-N 3.21Å; E196-H198 VanDerWaalsContact O-N 3.11Å; E196-D199 PolarHBondContact N-OD2 3.41Å; E196-D199 WeakPolarHBondContact O-CB 3.09Å; E196-D199 PolarHBondContact O-N 3.47Å; E196-R393 IonicContact OE1-CZ 3.16Å; E196-R393 VanDerWaalsContact OE1-CZ 3.22Å; E196-R393 IonicContact OE1-NH1 2.98Å; E196-R393 PolarHBondContact OE1-NH1 2.74Å; E196-R393 IonicContact OE1-NH2 3.48Å; E196-R393 PolarHBondContact OE1-NH2 3.35Å |
| 197 | P | 88.3 | Confident | 89.2 | Confident | 130 Ų | 130 | 51.3 Ų | 51.3 | 84% | 0.844 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.4 | -179.6 | -24.3 | 34.5 | 0 | 0 | 0 | 115.2 | ||
| 198 | H | 91.4 | Very high | 89.5 | Confident | 72 Ų | 72 | 51.3 Ų | 51.3 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.7 | 177.3 | 56.8 | -94.2 | 0 | 0 | 0 | 113.1 | E196 G229 Y230 S362 | E196-H198 VanDerWaalsContact CB-CE1 3.4Å; E196-H198 WeakPolarHBondContact CB-CE1 3.49Å; E196-H198 PolarHBondContact O-N 3.21Å; E196-H198 VanDerWaalsContact O-N 3.11Å; H198-G229 CarbonylContact O-C 3.58Å; H198-G229 WeakPolarHBondContact O-CA 3.45Å; H198-Y230 HydrophobicContact CB-CD2 4.33Å; H198-Y230 AromaticContact CD2-CD2 3.63Å; H198-Y230 WeakPolarHBondContact O-CD2 3.42Å; H198-Y230 PolarHBondContact O-N 2.84Å; H198-S362 PolarHBondContact NE2-OG 2.91Å |
| 199 | D | 93.8 | Very high | 89.8 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -79.7 | 139.3 | 173 | -67 | -23.7 | 0 | 0 | 0 | 110.2 | F192 M195 E196 Y230 S362 | F192-D199 HydrophobicContact CE1-CB 3.88Å; F192-D199 HydrophobicContact CZ-CB 4.26Å; M195-D199 WeakPolarHBondContact CA-OD2 3.25Å; M195-D199 PolarHBondContact N-OD2 2.74Å; E196-D199 PolarHBondContact N-OD2 3.41Å; E196-D199 WeakPolarHBondContact O-CB 3.09Å; E196-D199 PolarHBondContact O-N 3.47Å; D199-Y230 WeakPolarHBondContact CA-O 3.35Å; D199-S362 PolarHBondContact OD1-OG 3.37Å; D199-S362 PolarHBondContact OD2-OG 3.21Å |
| 200 | L | 95.6 | Very high | 90.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 126.9 | 172.6 | 179.9 | 65.9 | 0 | 0 | 0 | 109.5 | F192 L202 Y208 A221 N223 E227 Y230 I231 | F192-L200 WeakPolarHBondContact CD1-O 3.28Å; L200-L202 PolarHBondContact O-N 3.31Å; L200-Y208 HydrophobicContact CD2-CD1 3.78Å; L200-Y208 HydrophobicContact CD2-CE1 4.08Å; L200-Y208 HydrophobicContact CG-CE1 4.4Å; L200-A221 HydrophobicContact CD2-CB 4.18Å; L200-A221 WeakPolarHBondContact CD2-O 3.47Å; L200-N223 HydrophobicContact CD1-CB 4.43Å; L200-N223 HydrophobicContact CD2-CB 4.43Å; L200-E227 HydrophobicContact CD1-CB 4.05Å; L200-Y230 PolarHBondContact N-O 3.22Å; L200-I231 HydrophobicContact CB-CG2 3.7Å; L200-I231 HydrophobicContact CD2-CG2 4.11Å; L200-I231 HydrophobicContact CG-CG2 4.21Å |
| 201 | K | 95.1 | Very high | 90.7 | Very high | 129 Ų | 129 | 52 Ų | 52 | 56% | 0.561 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 126.8 | 176.2 | -176.5 | -175.8 | 175.7 | -173.1 | 0 | 110.6 | F192 Y208 | F192-K201 CarbonylContact O-C 3.56Å; F192-K201 VanDerWaalsContact O-CA 3.25Å; F192-K201 WeakPolarHBondContact O-CA 3.45Å; F192-K201 VanDerWaalsContact O-CG 3.28Å; F192-K201 WeakPolarHBondContact O-CG 3.34Å; K201-Y208 PolarHBondContact O-OH 3.41Å |
| 202 | L | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 135.9 | 168.1 | -57.4 | 175.5 | 0 | 0 | 0 | 110.6 | A188 D191 F192 L200 Y208 I231 Y235 V236 | A188-L202 HydrophobicContact CB-CB 4.04Å; A188-L202 HydrophobicContact CB-CD2 4.38Å; D191-L202 WeakPolarHBondContact CA-O 3.33Å; F192-L202 HydrophobicContact CB-CB 3.7Å; F192-L202 HydrophobicContact CB-CD1 3.94Å; F192-L202 HydrophobicContact CB-CG 3.9Å; F192-L202 HydrophobicContact CD1-CG 4.45Å; F192-L202 PolarHBondContact N-O 2.76Å; F192-L202 PolarHBondContact O-N 3.23Å; L200-L202 PolarHBondContact O-N 3.31Å; L202-Y208 VanDerWaalsContact CA-OH 3.31Å; L202-Y208 WeakPolarHBondContact CA-OH 3.46Å; L202-Y208 HydrophobicContact CD2-CD1 3.87Å; L202-Y208 HydrophobicContact CD2-CD2 3.7Å; L202-Y208 HydrophobicContact CD2-CE1 3.66Å; L202-Y208 HydrophobicContact CD2-CE2 3.51Å; L202-Y208 HydrophobicContact CD2-CG 3.9Å; L202-I231 HydrophobicContact CD1-CB 4.18Å; L202-I231 HydrophobicContact CD1-CG2 4.44Å; L202-I231 HydrophobicContact CD2-CB 4.18Å; L202-I231 HydrophobicContact CD2-CD1 4.25Å; L202-I231 HydrophobicContact CD2-CG2 3.67Å; L202-I231 HydrophobicContact CG-CB 4.32Å; L202-I231 HydrophobicContact CG-CG2 4.03Å; L202-Y235 HydrophobicContact CD1-CD1 4.45Å; L202-Y235 HydrophobicContact CD1-CG 4.4Å; L202-V236 HydrophobicContact CD1-CG1 3.75Å; L202-V236 HydrophobicContact CD2-CG1 4.26Å |
| 203 | V | 91.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | trans | -113.5 | 126.5 | 167.8 | 179.3 | 0 | 0 | 0 | 0 | 106.9 | A188 G205 G206 Y208 | A188-V203 VanDerWaalsContact CB-O 3.31Å; A188-V203 WeakPolarHBondContact CB-O 3.38Å; V203-G205 PolarHBondContact O-N 3.41Å; V203-G206 WeakPolarHBondContact O-CA 3.44Å; V203-G206 PolarHBondContact O-N 3.06Å; V203-Y208 PolarHBondContact N-OH 3.12Å | ||
| 204 | R | 86.4 | Confident | 90.6 | Very high | 103 Ų | 103 | 55.1 Ų | 55.1 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 131.8 | -179 | -179.7 | 173.4 | -179.3 | -146 | -7.4 | 111.3 | L189 D191 G206 | L189-R204 WeakPolarHBondContact O-CD 3.31Å; L189-R204 WeakPolarHBondContact O-CG 3.39Å; L189-R204 PolarHBondContact O-NE 3.09Å; D191-R204 WeakPolarHBondContact OD1-CB 3.41Å; D191-R204 PolarHBondContact OD1-N 3.22Å; R204-G206 PolarHBondContact O-N 3.35Å |
| 205 | G | 81.4 | Confident | 90.6 | Very high | 51 Ų | 51 | 56.4 Ų | 56.4 | 53% | 0.526 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | -10 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A188 V203 | A188-G205 PolarHBondContact O-N 3.38Å; V203-G205 PolarHBondContact O-N 3.41Å |
| 206 | G | 87.6 | Confident | 90.6 | Very high | 22 Ų | 22 | 60 Ų | 60 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | trans | -68.3 | 149.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V187 A188 V203 R204 Y208 | V187-G206 CarbonylContact C-O 3.56Å; V187-G206 WeakPolarHBondContact CA-O 3.1Å; A188-G206 PolarHBondContact N-O 3.28Å; V203-G206 WeakPolarHBondContact O-CA 3.44Å; V203-G206 PolarHBondContact O-N 3.06Å; R204-G206 PolarHBondContact O-N 3.35Å; G206-Y208 VanDerWaalsContact C-CE2 3.49Å; G206-Y208 WeakPolarHBondContact O-CD2 3.18Å; G206-Y208 WeakPolarHBondContact O-CE2 3.46Å | ||
| 207 | E | 92.7 | Very high | 90.6 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 45% | 0.453 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 140.1 | 178.1 | -58.9 | -169.9 | 173.2 | 0 | 0 | 111 | V185 V186 V187 K239 | V185-E207 HydrophobicContact CG1-CB 4.09Å; V186-E207 CarbonylContact O-C 3.56Å; V186-E207 WeakPolarHBondContact O-CA 3.11Å; V187-E207 HydrophobicContact CG2-CG 4.44Å; E207-K239 WeakPolarHBondContact OE1-CE 3.44Å; E207-K239 IonicContact OE1-NZ 3.98Å; E207-K239 PolarHBondContact OE1-NZ 2.88Å; E207-K239 IonicContact OE2-NZ 3.25Å; E207-K239 PolarHBondContact OE2-NZ 2.98Å |
| 208 | Y | 94.4 | Very high | 90.7 | Very high | 14 Ų | 14 | 53 Ų | 53 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.6 | -176.5 | -59.7 | -92.9 | 0 | 0 | 0 | 109.7 | V185 V186 A188 L200 K201 L202 V203 G206 R222 N223 | V185-Y208 WeakPolarHBondContact CA-O 3.44Å; V186-Y208 WeakPolarHBondContact CG2-O 3.47Å; V186-Y208 PolarHBondContact N-O 3.03Å; V186-Y208 PolarHBondContact O-N 2.79Å; A188-Y208 HydrophobicContact CB-CD2 4.23Å; A188-Y208 HydrophobicContact CB-CE2 3.71Å; L200-Y208 HydrophobicContact CD2-CD1 3.78Å; L200-Y208 HydrophobicContact CD2-CE1 4.08Å; L200-Y208 HydrophobicContact CG-CE1 4.4Å; K201-Y208 PolarHBondContact O-OH 3.41Å; L202-Y208 VanDerWaalsContact CA-OH 3.31Å; L202-Y208 WeakPolarHBondContact CA-OH 3.46Å; L202-Y208 HydrophobicContact CD2-CD1 3.87Å; L202-Y208 HydrophobicContact CD2-CD2 3.7Å; L202-Y208 HydrophobicContact CD2-CE1 3.66Å; L202-Y208 HydrophobicContact CD2-CE2 3.51Å; L202-Y208 HydrophobicContact CD2-CG 3.9Å; V203-Y208 PolarHBondContact N-OH 3.12Å; G206-Y208 VanDerWaalsContact C-CE2 3.49Å; G206-Y208 WeakPolarHBondContact O-CD2 3.18Å; G206-Y208 WeakPolarHBondContact O-CE2 3.46Å; Y208-R222 CarbonylContact C-O 3.47Å; Y208-R222 WeakPolarHBondContact CA-O 3.2Å; Y208-N223 HydrophobicContact CD1-CB 3.91Å; Y208-N223 HydrophobicContact CE1-CB 3.74Å |
| 209 | V | 95.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 51 Ų | 51 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.5 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | E183 V185 L211 A221 R222 | E183-V209 HydrophobicContact CB-CG1 3.81Å; E183-V209 HydrophobicContact CB-CG2 4.49Å; E183-V209 HydrophobicContact CG-CG1 4.06Å; E183-V209 WeakPolarHBondContact OE2-CG2 3.31Å; V185-V209 HydrophobicContact CG2-CG2 4.41Å; V209-L211 HydrophobicContact CG1-CD2 4.45Å; V209-L211 PolarHBondContact O-N 2.79Å; V209-A221 CarbonylContact O-C 3.55Å; V209-A221 WeakPolarHBondContact O-CA 3.35Å; V209-A221 WeakPolarHBondContact O-CB 3.23Å; V209-R222 PolarHBondContact N-O 2.91Å; V209-R222 PolarHBondContact O-N 3.09Å |
| 210 | I | 94.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.4 | 175.6 | -58.2 | -57.6 | 0 | 0 | 0 | 109.4 | E184 V186 K213 F219 A221 I231 | E184-I210 HydrophobicContact CB-CB 4.27Å; E184-I210 HydrophobicContact CG-CB 4.43Å; E184-I210 HydrophobicContact CG-CG1 4.37Å; E184-I210 PolarHBondContact O-N 3.07Å; V186-I210 HydrophobicContact CB-CD1 4.42Å; V186-I210 HydrophobicContact CB-CG1 4.44Å; V186-I210 HydrophobicContact CG1-CD1 3.95Å; V186-I210 HydrophobicContact CG1-CG1 3.61Å; V186-I210 HydrophobicContact CG2-CD1 3.58Å; V186-I210 HydrophobicContact CG2-CG1 4.01Å; I210-K213 HydrophobicContact CG2-CG 4.04Å; I210-F219 HydrophobicContact CD1-CB 4.13Å; I210-F219 HydrophobicContact CD1-CD2 3.85Å; I210-F219 HydrophobicContact CD1-CG 4.41Å; I210-A221 HydrophobicContact CD1-CB 4.12Å; I210-I231 HydrophobicContact CD1-CD1 4Å |
| 211 | L | 93.1 | Very high | 91 | Very high | 60 Ų | 60 | 53.9 Ų | 53.9 | 31% | 0.314 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -41.4 | 176.6 | -55.2 | 178.2 | 0 | 0 | 0 | 111.4 | V209 R220 R222 E228 | V209-L211 HydrophobicContact CG1-CD2 4.45Å; V209-L211 PolarHBondContact O-N 2.79Å; L211-R220 WeakPolarHBondContact CB-O 3.33Å; L211-R220 PolarHBondContact N-O 2.78Å; L211-R222 HydrophobicContact CD1-CB 4.12Å; L211-R222 HydrophobicContact CD2-CB 4.17Å; L211-R222 HydrophobicContact CG-CB 4.23Å; L211-E228 HydrophobicContact CD1-CB 4.25Å; L211-E228 VanDerWaalsContact CD1-CD 3.41Å; L211-E228 HydrophobicContact CD1-CG 3.76Å; L211-E228 WeakPolarHBondContact CD1-OE1 3.4Å |
| 212 | E | 91.7 | Very high | 91 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 137 | -177.2 | -173.4 | 175.3 | -166.7 | 0 | 0 | 111.1 | C214 F219 R220 | E212-C214 PolarHBondContact O-N 3.13Å; E212-F219 CarbonylContact O-C 3.54Å; E212-F219 WeakPolarHBondContact O-CA 3.25Å; E212-R220 HydrophobicContact CB-CB 4.1Å; E212-R220 PolarHBondContact N-O 3.44Å; E212-R220 VanDerWaalsContact N-O 3.13Å; E212-R220 PolarHBondContact O-N 3.26Å |
| 213 | K | 90.1 | Very high | 91.1 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 46% | 0.461 | 27% | 0.273 | S | S | . | . | trans | -94.8 | 85 | 169.8 | -64.3 | -179.3 | 178.1 | 167.5 | 0 | 109.1 | E184 I210 D215 F219 | E184-K213 WeakPolarHBondContact OE1-CE 3.26Å; E184-K213 IonicContact OE1-NZ 2.65Å; E184-K213 PolarHBondContact OE1-NZ 2.93Å; E184-K213 WeakPolarHBondContact OE2-CE 3.32Å; E184-K213 IonicContact OE2-NZ 2.8Å; E184-K213 PolarHBondContact OE2-NZ 2.7Å; I210-K213 HydrophobicContact CG2-CG 4.04Å; K213-D215 PolarHBondContact O-N 2.7Å; K213-F219 HydrophobicContact CB-CD1 3.87Å; K213-F219 HydrophobicContact CB-CE1 3.95Å; K213-F219 HydrophobicContact CD-CE1 4.17Å; K213-F219 HydrophobicContact CD-CZ 4.32Å; K213-F219 HydrophobicContact CG-CD1 3.75Å; K213-F219 HydrophobicContact CG-CE1 3.77Å; K213-F219 HydrophobicContact CG-CG 4.27Å; K213-F219 HydrophobicContact CG-CZ 4.27Å | ||
| 214 | C | 86.1 | Confident | 91.1 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | trans | -59.7 | -45.5 | -173.6 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | E212 W218 Y363 | E212-C214 PolarHBondContact O-N 3.13Å; C214-W218 WeakPolarHBondContact CB-O 3.26Å; C214-W218 PolarHBondContact N-O 2.94Å; C214-Y363 HydrophobicContact CB-CD2 4.39Å; C214-Y363 HydrophobicContact CB-CE2 3.67Å | ||
| 215 | D | 85.2 | Confident | 91.4 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -149.6 | -164.7 | 167.3 | 66.4 | 41.9 | 0 | 0 | 0 | 111.9 | K213 N217 W218 F219 | K213-D215 PolarHBondContact O-N 2.7Å; D215-N217 VanDerWaalsContact C-N 3.26Å; D215-N217 PolarHBondContact O-N 3.43Å; D215-N217 WeakPolarHBondContact OD1-CA 3.28Å; D215-N217 WeakPolarHBondContact OD1-CB 3.44Å; D215-N217 PolarHBondContact OD1-N 3.42Å; D215-W218 PolarHBondContact N-O 2.97Å; D215-W218 VanDerWaalsContact N-O 3.16Å; D215-W218 PolarHBondContact OD1-N 3.12Å; D215-F219 WeakPolarHBondContact O-CE1 3.44Å |
| 216 | V | 84.9 | Confident | 91.8 | Very high | 106 Ų | 106 | 59.8 Ų | 59.8 | 64% | 0.642 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.6 | -23.2 | -177.8 | -44.6 | 0 | 0 | 0 | 0 | 112.8 | S233 | V216-S233 PolarHBondContact O-OG 2.7Š|
| 217 | N | 88.8 | Confident | 92.2 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -107.9 | -25.2 | -172.2 | -62.5 | -50.5 | 0 | 0 | 0 | 113.2 | D215 P232 S233 A359 K422 S424 | D215-N217 VanDerWaalsContact C-N 3.26Å; D215-N217 PolarHBondContact O-N 3.43Å; D215-N217 WeakPolarHBondContact OD1-CA 3.28Å; D215-N217 WeakPolarHBondContact OD1-CB 3.44Å; D215-N217 PolarHBondContact OD1-N 3.42Å; N217-P232 CarbonylContact O-C 3.57Å; N217-P232 WeakPolarHBondContact O-CA 3.3Å; N217-S233 VanDerWaalsContact CA-OG 3.3Å; N217-S233 WeakPolarHBondContact CA-OG 3.36Å; N217-S233 PolarHBondContact O-N 2.82Å; N217-S233 PolarHBondContact O-OG 3.11Å; N217-A359 HydrophobicContact CB-CB 3.56Å; N217-A359 WeakPolarHBondContact ND2-CB 3.43Å; N217-K422 PolarHBondContact ND2-O 3.34Å; N217-S424 WeakPolarHBondContact OD1-CB 3.36Å |
| 218 | W | 91.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.8 | -174.7 | -68.5 | 96 | 0 | 0 | 0 | 112.2 | F192 C214 D215 P232 A359 Y363 | F192-W218 HydrophobicContact CE1-CZ3 4.44Å; F192-W218 HydrophobicContact CZ-CH2 4.08Å; F192-W218 HydrophobicContact CZ-CZ3 4.08Å; C214-W218 WeakPolarHBondContact CB-O 3.26Å; C214-W218 PolarHBondContact N-O 2.94Å; D215-W218 PolarHBondContact N-O 2.97Å; D215-W218 VanDerWaalsContact N-O 3.16Å; D215-W218 PolarHBondContact OD1-N 3.12Å; W218-P232 HydrophobicContact CE3-CB 4.47Å; W218-P232 HydrophobicContact CH2-CB 4.38Å; W218-P232 HydrophobicContact CZ3-CB 4.23Å; W218-P232 HydrophobicContact CZ3-CG 4.44Å; W218-A359 PolarHBondContact NE1-O 2.89Å; W218-Y363 HydrophobicContact CB-CD2 3.58Å; W218-Y363 HydrophobicContact CB-CE2 4.36Å; W218-Y363 HydrophobicContact CB-CG 4.36Å; W218-Y363 AromaticContact CG-CD2 3.9Å; W218-Y363 HydrophobicContact CG-CD2 3.9Å |
| 219 | F | 94.2 | Very high | 92.4 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.2 | 173.8 | -55.6 | -24.3 | 0 | 0 | 0 | 110 | I210 E212 K213 D215 Y230 I231 S233 V236 | I210-F219 HydrophobicContact CD1-CB 4.13Å; I210-F219 HydrophobicContact CD1-CD2 3.85Å; I210-F219 HydrophobicContact CD1-CG 4.41Å; E212-F219 CarbonylContact O-C 3.54Å; E212-F219 WeakPolarHBondContact O-CA 3.25Å; K213-F219 HydrophobicContact CB-CD1 3.87Å; K213-F219 HydrophobicContact CB-CE1 3.95Å; K213-F219 HydrophobicContact CD-CE1 4.17Å; K213-F219 HydrophobicContact CD-CZ 4.32Å; K213-F219 HydrophobicContact CG-CD1 3.75Å; K213-F219 HydrophobicContact CG-CE1 3.77Å; K213-F219 HydrophobicContact CG-CG 4.27Å; K213-F219 HydrophobicContact CG-CZ 4.27Å; D215-F219 WeakPolarHBondContact O-CE1 3.44Å; F219-Y230 CarbonylContact O-C 3.59Å; F219-Y230 WeakPolarHBondContact O-CA 3.13Å; F219-I231 HydrophobicContact CB-CG1 4.03Å; F219-I231 PolarHBondContact N-O 3.46Å; F219-I231 PolarHBondContact O-N 2.73Å; F219-S233 VanDerWaalsContact CE2-CB 3.43Å; F219-V236 HydrophobicContact CD2-CG2 4.24Å; F219-V236 HydrophobicContact CE2-CG2 4.36Å |
| 220 | R | 95.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.4 | 166.2 | -165.8 | 174.2 | 177 | -131 | -12.2 | 108.1 | L211 E212 E228 G229 Y230 | L211-R220 WeakPolarHBondContact CB-O 3.33Å; L211-R220 PolarHBondContact N-O 2.78Å; E212-R220 HydrophobicContact CB-CB 4.1Å; E212-R220 PolarHBondContact N-O 3.44Å; E212-R220 VanDerWaalsContact N-O 3.13Å; E212-R220 PolarHBondContact O-N 3.26Å; R220-E228 IonicContact CZ-OE2 3.38Å; R220-E228 IonicContact NH2-OE2 3.11Å; R220-E228 PolarHBondContact NH2-OE2 2.67Å; R220-G229 WeakPolarHBondContact CA-O 3.22Å; R220-Y230 HydrophobicContact CB-CD1 4.33Å; R220-Y230 HydrophobicContact CB-CE1 4.32Å |
| 221 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 166.6 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L200 V209 I210 E228 G229 I231 | L200-A221 HydrophobicContact CD2-CB 4.18Å; L200-A221 WeakPolarHBondContact CD2-O 3.47Å; V209-A221 CarbonylContact O-C 3.55Å; V209-A221 WeakPolarHBondContact O-CA 3.35Å; V209-A221 WeakPolarHBondContact O-CB 3.23Å; I210-A221 HydrophobicContact CD1-CB 4.12Å; A221-E228 VanDerWaalsContact O-CA 3.31Å; A221-E228 WeakPolarHBondContact O-CA 3.48Å; A221-G229 PolarHBondContact N-O 3.43Å; A221-G229 PolarHBondContact O-N 3.46Å; A221-I231 HydrophobicContact CB-CD1 3.44Å; A221-I231 VanDerWaalsContact CB-CD1 3.44Å; A221-I231 HydrophobicContact CB-CG1 3.81Å; A221-I231 HydrophobicContact CB-CG2 4.27Å |
| 222 | R | 96.4 | Very high | 92.4 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 138.2 | 174.7 | -166.3 | -175.5 | -63.5 | 152.6 | 2.2 | 110.3 | Y208 V209 L211 E227 E228 | Y208-R222 CarbonylContact C-O 3.47Å; Y208-R222 WeakPolarHBondContact CA-O 3.2Å; V209-R222 PolarHBondContact N-O 2.91Å; V209-R222 PolarHBondContact O-N 3.09Å; L211-R222 HydrophobicContact CD1-CB 4.12Å; L211-R222 HydrophobicContact CD2-CB 4.17Å; L211-R222 HydrophobicContact CG-CB 4.23Å; R222-E227 VanDerWaalsContact CA-O 3.26Å; R222-E227 WeakPolarHBondContact CA-O 3.34Å; R222-E228 HydrophobicContact CB-CG 4.27Å; R222-E228 HydrophobicContact CG-CG 3.99Å; R222-E228 IonicContact CZ-OE1 3.87Å; R222-E228 VanDerWaalsContact CZ-OE1 3.29Å; R222-E228 IonicContact NE-OE1 2.96Å; R222-E228 PolarHBondContact NE-OE1 3.24Å; R222-E228 IonicContact NH2-OE1 3.39Å; R222-E228 PolarHBondContact NH2-OE1 2.95Å |
| 223 | N | 94.5 | Very high | 92.3 | Very high | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | trans | -89.7 | 176.5 | 172.5 | 71.6 | 9.7 | 0 | 0 | 0 | 112.5 | L200 Y208 Y225 G226 E227 | L200-N223 HydrophobicContact CD1-CB 4.43Å; L200-N223 HydrophobicContact CD2-CB 4.43Å; Y208-N223 HydrophobicContact CD1-CB 3.91Å; Y208-N223 HydrophobicContact CE1-CB 3.74Å; N223-Y225 PolarHBondContact O-N 3.29Å; N223-Y225 VanDerWaalsContact O-N 3.16Å; N223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; N223-Y225 PolarHBondContact OD1-N 3.01Å; N223-G226 PolarHBondContact O-N 3.13Å; N223-G226 PolarHBondContact OD1-N 3.25Å; N223-G226 VanDerWaalsContact OD1-N 3.14Å; N223-E227 PolarHBondContact N-O 3.02Å; N223-E227 PolarHBondContact ND2-OE2 2.97Å; N223-E227 WeakPolarHBondContact OD1-CB 3.46Å; N223-E227 PolarHBondContact OD1-N 3.19Å | ||
| 224 | E | 92 | Very high | 92.1 | Very high | 155 Ų | 155 | 54 Ų | 54 | 72% | 0.724 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23 | 177.8 | 64.6 | -178.2 | 162.4 | 0 | 0 | 114.3 | G226 | E224-G226 VanDerWaalsContact C-N 3.34Š|
| 225 | Y | 92.4 | Very high | 92.2 | Very high | 175 Ų | 175 | 53.4 Ų | 53.4 | 69% | 0.686 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.4 | 178.9 | -51.9 | -72.3 | 0 | 0 | 0 | 113.2 | N223 | N223-Y225 PolarHBondContact O-N 3.29Å; N223-Y225 VanDerWaalsContact O-N 3.16Å; N223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; N223-Y225 PolarHBondContact OD1-N 3.01Å |
| 226 | G | 90.7 | Very high | 92.4 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | trans | 82.9 | 6.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N223 E224 | N223-G226 PolarHBondContact O-N 3.13Å; N223-G226 PolarHBondContact OD1-N 3.25Å; N223-G226 VanDerWaalsContact OD1-N 3.14Å; E224-G226 VanDerWaalsContact C-N 3.34Å | ||
| 227 | E | 94.5 | Very high | 92.4 | Very high | 118 Ų | 118 | 47.9 Ų | 47.9 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | trans | -74.9 | 133.3 | 175.8 | -55.4 | 176.5 | 132.7 | 0 | 0 | 110.1 | L200 R222 N223 | L200-E227 HydrophobicContact CD1-CB 4.05Å; R222-E227 VanDerWaalsContact CA-O 3.26Å; R222-E227 WeakPolarHBondContact CA-O 3.34Å; N223-E227 PolarHBondContact N-O 3.02Å; N223-E227 PolarHBondContact ND2-OE2 2.97Å; N223-E227 WeakPolarHBondContact OD1-CB 3.46Å; N223-E227 PolarHBondContact OD1-N 3.19Å | ||
| 228 | E | 96.2 | Very high | 92 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 143.8 | -179.1 | -58.1 | -171.9 | 164.3 | 0 | 0 | 111.3 | L211 R220 A221 R222 | L211-E228 HydrophobicContact CD1-CB 4.25Å; L211-E228 VanDerWaalsContact CD1-CD 3.41Å; L211-E228 HydrophobicContact CD1-CG 3.76Å; L211-E228 WeakPolarHBondContact CD1-OE1 3.4Å; R220-E228 IonicContact CZ-OE2 3.38Å; R220-E228 IonicContact NH2-OE2 3.11Å; R220-E228 PolarHBondContact NH2-OE2 2.67Å; A221-E228 VanDerWaalsContact O-CA 3.31Å; A221-E228 WeakPolarHBondContact O-CA 3.48Å; R222-E228 HydrophobicContact CB-CG 4.27Å; R222-E228 HydrophobicContact CG-CG 3.99Å; R222-E228 IonicContact CZ-OE1 3.87Å; R222-E228 VanDerWaalsContact CZ-OE1 3.29Å; R222-E228 IonicContact NE-OE1 2.96Å; R222-E228 PolarHBondContact NE-OE1 3.24Å; R222-E228 IonicContact NH2-OE1 3.39Å; R222-E228 PolarHBondContact NH2-OE1 2.95Å |
| 229 | G | 95.7 | Very high | 91.1 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | -176.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H198 R220 A221 | H198-G229 CarbonylContact O-C 3.58Å; H198-G229 WeakPolarHBondContact O-CA 3.45Å; R220-G229 WeakPolarHBondContact CA-O 3.22Å; A221-G229 PolarHBondContact N-O 3.43Å; A221-G229 PolarHBondContact O-N 3.46Å |
| 230 | Y | 95.8 | Very high | 89.5 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 21% | 0.208 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 140.1 | -178.7 | -63.6 | -86.7 | 0 | 0 | 0 | 111.8 | H198 D199 L200 F219 R220 Y363 | H198-Y230 HydrophobicContact CB-CD2 4.33Å; H198-Y230 AromaticContact CD2-CD2 3.63Å; H198-Y230 WeakPolarHBondContact O-CD2 3.42Å; H198-Y230 PolarHBondContact O-N 2.84Å; D199-Y230 WeakPolarHBondContact CA-O 3.35Å; L200-Y230 PolarHBondContact N-O 3.22Å; F219-Y230 CarbonylContact O-C 3.59Å; F219-Y230 WeakPolarHBondContact O-CA 3.13Å; R220-Y230 HydrophobicContact CB-CD1 4.33Å; R220-Y230 HydrophobicContact CB-CE1 4.32Å; Y230-Y363 AromaticContact CD1-CD1 3.85Å; Y230-Y363 HydrophobicContact CD1-CD1 3.85Å; Y230-Y363 HydrophobicContact CD1-CD2 4.44Å; Y230-Y363 AromaticContact CD1-CG 3.77Å; Y230-Y363 HydrophobicContact CD1-CG 3.77Å; Y230-Y363 AromaticContact CE1-CD1 3.4Å; Y230-Y363 HydrophobicContact CE1-CD1 3.4Å; Y230-Y363 VanDerWaalsContact CE1-CD1 3.4Å; Y230-Y363 AromaticContact CE1-CE1 3.82Å; Y230-Y363 HydrophobicContact CE1-CE1 3.82Å; Y230-Y363 AromaticContact CE1-CG 3.81Å; Y230-Y363 HydrophobicContact CE1-CG 3.81Å; Y230-Y363 HydrophobicContact CE2-CD1 4.19Å; Y230-Y363 HydrophobicContact CG-CD1 4.39Å; Y230-Y363 HydrophobicContact CG-CG 4.27Å; Y230-Y363 AromaticContact CZ-CD1 3.58Å |
| 231 | I | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 144.4 | 178.7 | 63.6 | 166.2 | 0 | 0 | 0 | 110.1 | L200 L202 I210 F219 A221 V236 | L200-I231 HydrophobicContact CB-CG2 3.7Å; L200-I231 HydrophobicContact CD2-CG2 4.11Å; L200-I231 HydrophobicContact CG-CG2 4.21Å; L202-I231 HydrophobicContact CD1-CB 4.18Å; L202-I231 HydrophobicContact CD1-CG2 4.44Å; L202-I231 HydrophobicContact CD2-CB 4.18Å; L202-I231 HydrophobicContact CD2-CD1 4.25Å; L202-I231 HydrophobicContact CD2-CG2 3.67Å; L202-I231 HydrophobicContact CG-CB 4.32Å; L202-I231 HydrophobicContact CG-CG2 4.03Å; I210-I231 HydrophobicContact CD1-CD1 4Å; F219-I231 HydrophobicContact CB-CG1 4.03Å; F219-I231 PolarHBondContact N-O 3.46Å; F219-I231 PolarHBondContact O-N 2.73Å; A221-I231 HydrophobicContact CB-CD1 3.44Å; A221-I231 VanDerWaalsContact CB-CD1 3.44Å; A221-I231 HydrophobicContact CB-CG1 3.81Å; A221-I231 HydrophobicContact CB-CG2 4.27Å; I231-V236 HydrophobicContact CD1-CG1 3.8Å; I231-V236 HydrophobicContact CD1-CG2 4.22Å |
| 232 | P | 92.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.7 | 174.7 | 25.1 | -28.9 | 0 | 0 | 0 | 111.1 | F192 N217 W218 N234 Y235 T358 | F192-P232 HydrophobicContact CD1-CG 4.28Å; F192-P232 HydrophobicContact CD2-CG 4.02Å; F192-P232 HydrophobicContact CE1-CG 4.45Å; F192-P232 HydrophobicContact CE2-CG 4.22Å; F192-P232 HydrophobicContact CG-CG 4.06Å; F192-P232 HydrophobicContact CZ-CG 4.44Å; N217-P232 CarbonylContact O-C 3.57Å; N217-P232 WeakPolarHBondContact O-CA 3.3Å; W218-P232 HydrophobicContact CE3-CB 4.47Å; W218-P232 HydrophobicContact CH2-CB 4.38Å; W218-P232 HydrophobicContact CZ3-CB 4.23Å; W218-P232 HydrophobicContact CZ3-CG 4.44Å; P232-N234 VanDerWaalsContact C-N 3.26Å; P232-N234 PolarHBondContact O-N 2.99Å; P232-Y235 HydrophobicContact CB-CD2 3.8Å; P232-Y235 HydrophobicContact CB-CE2 4.35Å; P232-Y235 HydrophobicContact CB-CG 4.33Å; P232-Y235 HydrophobicContact CG-CD1 4.18Å; P232-Y235 HydrophobicContact CG-CD2 3.47Å; P232-Y235 VanDerWaalsContact CG-CD2 3.47Å; P232-Y235 HydrophobicContact CG-CE2 4.02Å; P232-Y235 HydrophobicContact CG-CG 3.57Å; P232-Y235 WeakPolarHBondContact O-CB 3.48Å; P232-Y235 PolarHBondContact O-N 3.08Å; P232-T358 HydrophobicContact CB-CG2 3.61Å; P232-T358 HydrophobicContact CG-CG2 3.86Å |
| 233 | S | 89.8 | Confident | 84.1 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -63.5 | -30.7 | -175.5 | 67.6 | 0 | 0 | 0 | 0 | 113 | V216 N217 F219 Y235 V236 | V216-S233 PolarHBondContact O-OG 2.7Å; N217-S233 VanDerWaalsContact CA-OG 3.3Å; N217-S233 WeakPolarHBondContact CA-OG 3.36Å; N217-S233 PolarHBondContact O-N 2.82Å; N217-S233 PolarHBondContact O-OG 3.11Å; F219-S233 VanDerWaalsContact CE2-CB 3.43Å; S233-Y235 PolarHBondContact O-N 3.38Å; S233-V236 WeakPolarHBondContact O-CG2 3.48Å; S233-V236 PolarHBondContact O-N 3.2Å |
| 234 | N | 86.1 | Confident | 83.3 | Confident | 51 Ų | 51 | 59 Ų | 59 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -77.7 | -2.5 | 177.5 | 65.7 | -21.8 | 0 | 0 | 0 | 114.1 | P232 P356 S357 | P232-N234 VanDerWaalsContact C-N 3.26Å; P232-N234 PolarHBondContact O-N 2.99Å; N234-P356 HydrophobicContact CB-CG 4.34Å; N234-S357 PolarHBondContact ND2-O 2.82Å |
| 235 | Y | 89.1 | Confident | 82.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -96.1 | -8 | 174 | -80.3 | -127.5 | 0 | 0 | 0 | 112.7 | L189 Y190 D191 F192 L202 P232 S233 G355 P356 T358 | L189-Y235 WeakPolarHBondContact CB-O 3.1Å; L189-Y235 PolarHBondContact N-O 3.21Å; Y190-Y235 HydrophobicContact CD2-CD1 4.43Å; Y190-Y235 HydrophobicContact CD2-CG 4.36Å; D191-Y235 WeakPolarHBondContact O-CE1 3.49Å; F192-Y235 HydrophobicContact CB-CD1 3.78Å; F192-Y235 HydrophobicContact CB-CE1 4.04Å; F192-Y235 HydrophobicContact CD2-CE1 4.3Å; L202-Y235 HydrophobicContact CD1-CD1 4.45Å; L202-Y235 HydrophobicContact CD1-CG 4.4Å; P232-Y235 HydrophobicContact CB-CD2 3.8Å; P232-Y235 HydrophobicContact CB-CE2 4.35Å; P232-Y235 HydrophobicContact CB-CG 4.33Å; P232-Y235 HydrophobicContact CG-CD1 4.18Å; P232-Y235 HydrophobicContact CG-CD2 3.47Å; P232-Y235 VanDerWaalsContact CG-CD2 3.47Å; P232-Y235 HydrophobicContact CG-CE2 4.02Å; P232-Y235 HydrophobicContact CG-CG 3.57Å; P232-Y235 WeakPolarHBondContact O-CB 3.48Å; P232-Y235 PolarHBondContact O-N 3.08Å; S233-Y235 PolarHBondContact O-N 3.38Å; Y235-G355 VanDerWaalsContact OH-C 3.27Å; Y235-G355 WeakPolarHBondContact OH-CA 3.48Å; Y235-G355 PolarHBondContact OH-O 3.42Å; Y235-P356 HydrophobicContact CD2-CG 4.07Å; Y235-P356 HydrophobicContact CE2-CG 3.8Å; Y235-P356 WeakPolarHBondContact CE2-O 3.24Å; Y235-P356 PolarHBondContact OH-O 3.45Å; Y235-T358 HydrophobicContact CD2-CG2 4.2Å; Y235-T358 HydrophobicContact CE2-CG2 3.47Å; Y235-T358 VanDerWaalsContact CE2-CG2 3.47Å |
| 236 | V | 87.8 | Confident | 81.5 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 164 | -175.4 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | V186 V187 L202 F219 I231 S233 | V186-V236 HydrophobicContact CB-CB 4Å; V186-V236 HydrophobicContact CB-CG2 4.3Å; V186-V236 HydrophobicContact CG2-CB 3.82Å; V186-V236 HydrophobicContact CG2-CG1 4.05Å; V186-V236 HydrophobicContact CG2-CG2 4.07Å; V187-V236 VanDerWaalsContact O-CA 3.31Å; V187-V236 WeakPolarHBondContact O-CA 3.5Å; L202-V236 HydrophobicContact CD1-CG1 3.75Å; L202-V236 HydrophobicContact CD2-CG1 4.26Å; F219-V236 HydrophobicContact CD2-CG2 4.24Å; F219-V236 HydrophobicContact CE2-CG2 4.36Å; I231-V236 HydrophobicContact CD1-CG1 3.8Å; I231-V236 HydrophobicContact CD1-CG2 4.22Å; S233-V236 WeakPolarHBondContact O-CG2 3.48Å; S233-V236 PolarHBondContact O-N 3.2Å |
| 237 | T | 84.8 | Confident | 80.9 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 151.9 | 179.4 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | V186 V187 L189 N243 | V186-T237 CarbonylContact C-O 3.53Å; V186-T237 WeakPolarHBondContact CA-O 3.38Å; V186-T237 VanDerWaalsContact CB-O 3.22Å; V186-T237 WeakPolarHBondContact CB-O 3.38Å; V187-T237 HydrophobicContact CB-CG2 4.15Å; V187-T237 PolarHBondContact N-O 3Å; V187-T237 PolarHBondContact O-N 3.3Å; L189-T237 HydrophobicContact CD1-CG2 4.47Å; L189-T237 HydrophobicContact CD2-CG2 3.72Å; L189-T237 HydrophobicContact CG-CG2 4.04Å; T237-N243 WeakPolarHBondContact CB-ND2 3.48Å; T237-N243 WeakPolarHBondContact CG2-ND2 3.43Å; T237-N243 PolarHBondContact OG1-ND2 2.95Å |
| 238 | G | 80.8 | Confident | 80.2 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 143 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T240 | G238-T240 PolarHBondContact O-N 2.93Å |
| 239 | K | 72.7 | Confident | 79.8 | Confident | 110 Ų | 110 | 46.7 Ų | 46.7 | 48% | 0.478 | 27% | 0.269 | S | S | . | . | trans | -72.5 | 27.8 | 176.1 | -164 | 179.8 | 168.8 | 175.4 | 0 | 113.3 | V185 V187 E207 | V185-K239 HydrophobicContact CB-CB 4.32Å; V185-K239 HydrophobicContact CB-CD 4.11Å; V185-K239 HydrophobicContact CG1-CB 4.34Å; V185-K239 HydrophobicContact CG1-CD 3.68Å; V185-K239 WeakPolarHBondContact O-CB 3.33Å; V185-K239 PolarHBondContact O-N 2.94Å; V185-K239 VanDerWaalsContact O-N 3.1Å; V187-K239 HydrophobicContact CG2-CB 4.19Å; V187-K239 HydrophobicContact CG2-CG 4.06Å; E207-K239 WeakPolarHBondContact OE1-CE 3.44Å; E207-K239 IonicContact OE1-NZ 3.98Å; E207-K239 PolarHBondContact OE1-NZ 2.88Å; E207-K239 IonicContact OE2-NZ 3.25Å; E207-K239 PolarHBondContact OE2-NZ 2.98Å | ||
| 240 | T | 61.3 | Low | 79.4 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 66% | 0.663 | 27% | 0.271 | S | S | * | . | trans | -81.8 | 137.3 | -179.2 | 44.4 | 0 | 0 | 0 | 0 | 111.8 | G238 G242 N243 | G238-T240 PolarHBondContact O-N 2.93Å; T240-G242 VanDerWaalsContact C-N 3.34Å; T240-G242 PolarHBondContact O-N 2.66Å; T240-N243 PolarHBondContact O-N 3.36Å | ||
| 241 | S | 45.8 | Very low | 78.7 | Confident | 137 Ų | 137 | 45.7 Ų | 45.7 | 96% | 0.958 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 89.6 | 173.5 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 242 | G | 57.9 | Low | 77.7 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 155.1 | -15.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T240 L244 | T240-G242 VanDerWaalsContact C-N 3.34Å; T240-G242 PolarHBondContact O-N 2.66Å; G242-L244 PolarHBondContact O-N 2.97Å |
| 243 | N | 71 | Confident | 76.6 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 14% | 0.139 | 33% | 0.328 | C | S | . | . | trans | -75 | 110.6 | 176.7 | 177.4 | 35.5 | 0 | 0 | 0 | 112.2 | T237 T240 V245 Q246 | T237-N243 WeakPolarHBondContact CB-ND2 3.48Å; T237-N243 WeakPolarHBondContact CG2-ND2 3.43Å; T237-N243 PolarHBondContact OG1-ND2 2.95Å; T240-N243 PolarHBondContact O-N 3.36Å; N243-V245 VanDerWaalsContact C-N 3.34Å; N243-V245 WeakPolarHBondContact OD1-CB 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.19Å; N243-V245 PolarHBondContact OD1-N 3.28Å; N243-V245 VanDerWaalsContact OD1-N 3.12Å; N243-Q246 WeakPolarHBondContact O-CG 3.34Å | ||
| 244 | L | 76.9 | Confident | 76 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -77.8 | -18.3 | -179.8 | -57.1 | -172.9 | 0 | 0 | 0 | 113.9 | G242 Q246 F247 W249 Y250 Y283 I326 P327 | G242-L244 PolarHBondContact O-N 2.97Å; L244-Q246 PolarHBondContact O-N 3.06Å; L244-F247 HydrophobicContact CD2-CD2 4.43Å; L244-F247 HydrophobicContact CD2-CE2 4.47Å; L244-F247 PolarHBondContact O-N 3.34Å; L244-W249 HydrophobicContact CD2-CH2 4.04Å; L244-Y250 HydrophobicContact CB-CD1 3.59Å; L244-Y250 HydrophobicContact CB-CD2 3.83Å; L244-Y250 HydrophobicContact CB-CE1 3.83Å; L244-Y250 HydrophobicContact CB-CE2 4.12Å; L244-Y250 HydrophobicContact CB-CG 3.54Å; L244-Y250 HydrophobicContact CD1-CD2 3.94Å; L244-Y250 HydrophobicContact CD1-CE2 4.02Å; L244-Y250 HydrophobicContact CD1-CG 4.47Å; L244-Y250 WeakPolarHBondContact O-CB 3.28Å; L244-Y250 WeakPolarHBondContact O-CD1 3.22Å; L244-Y283 HydrophobicContact CD1-CD1 3.97Å; L244-Y283 HydrophobicContact CD1-CD2 4.43Å; L244-Y283 HydrophobicContact CD1-CE1 3.72Å; L244-Y283 HydrophobicContact CD1-CE2 4.19Å; L244-Y283 HydrophobicContact CD1-CG 4.29Å; L244-I326 HydrophobicContact CD1-CB 4.27Å; L244-I326 HydrophobicContact CD1-CD1 3.77Å; L244-I326 HydrophobicContact CD1-CG2 4.01Å; L244-I326 HydrophobicContact CD2-CB 4.01Å; L244-I326 HydrophobicContact CD2-CG2 4.22Å; L244-P327 HydrophobicContact CD2-CG 4.04Å |
| 245 | V | 75.3 | Confident | 75.4 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 26% | 0.255 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -60.8 | -21.3 | -174.1 | -169 | 0 | 0 | 0 | 0 | 112.8 | L189 N243 F247 Y250 | L189-V245 HydrophobicContact CD1-CB 4.14Å; L189-V245 HydrophobicContact CD1-CG1 3.43Å; L189-V245 VanDerWaalsContact CD1-CG1 3.43Å; L189-V245 HydrophobicContact CD2-CB 3.88Å; L189-V245 HydrophobicContact CD2-CG1 3.66Å; L189-V245 HydrophobicContact CG-CG1 4.1Å; N243-V245 VanDerWaalsContact C-N 3.34Å; N243-V245 WeakPolarHBondContact OD1-CB 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.19Å; N243-V245 PolarHBondContact OD1-N 3.28Å; N243-V245 VanDerWaalsContact OD1-N 3.12Å; V245-F247 VanDerWaalsContact C-N 3.34Å; V245-Y250 HydrophobicContact CB-CE1 4.47Å; V245-Y250 HydrophobicContact CG2-CD1 4.33Å; V245-Y250 HydrophobicContact CG2-CE1 3.79Å |
| 246 | Q | 71.4 | Confident | 75.1 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 43% | 0.425 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -73.1 | -22.3 | 175.9 | 71.1 | -173.1 | 4.2 | 0 | 0 | 114.1 | N243 L244 | N243-Q246 WeakPolarHBondContact O-CG 3.34Å; L244-Q246 PolarHBondContact O-N 3.06Å |
| 247 | F | 78.6 | Confident | 74.4 | Confident | 59 Ų | 59 | 61.5 Ų | 61.5 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -89.4 | 133.7 | -173.9 | -62 | -81.9 | 0 | 0 | 0 | 111.9 | L244 V245 W249 Y250 P327 | L244-F247 HydrophobicContact CD2-CD2 4.43Å; L244-F247 HydrophobicContact CD2-CE2 4.47Å; L244-F247 PolarHBondContact O-N 3.34Å; V245-F247 VanDerWaalsContact C-N 3.34Å; F247-W249 HydrophobicContact CB-CD2 3.82Å; F247-W249 HydrophobicContact CB-CE3 4.37Å; F247-W249 HydrophobicContact CB-CG 4.27Å; F247-W249 HydrophobicContact CB-CH2 4.23Å; F247-W249 HydrophobicContact CB-CZ2 3.62Å; F247-W249 AromaticContact CD1-CZ2 3.89Å; F247-W249 HydrophobicContact CD1-CZ2 3.89Å; F247-W249 AromaticContact CD1-NE1 3.84Å; F247-W249 HydrophobicContact CD2-CH2 4.14Å; F247-W249 AromaticContact CD2-CZ2 3.8Å; F247-W249 HydrophobicContact CD2-CZ2 3.8Å; F247-W249 HydrophobicContact CE2-CZ2 4.45Å; F247-W249 AromaticContact CG-CE2 3.72Å; F247-W249 HydrophobicContact CG-CH2 4.21Å; F247-W249 AromaticContact CG-CZ2 3.49Å; F247-W249 HydrophobicContact CG-CZ2 3.49Å; F247-W249 VanDerWaalsContact CG-CZ2 3.49Å; F247-W249 AromaticContact CG-NE1 3.92Å; F247-W249 PolarHBondContact O-N 2.74Å; F247-W249 VanDerWaalsContact O-N 3.12Å; F247-Y250 PolarHBondContact O-N 3.4Å; F247-P327 HydrophobicContact CD2-CG 4.16Å; F247-P327 HydrophobicContact CE1-CB 4.09Å; F247-P327 HydrophobicContact CE1-CG 4.26Å; F247-P327 HydrophobicContact CE2-CB 4.08Å; F247-P327 HydrophobicContact CE2-CG 3.34Å; F247-P327 HydrophobicContact CZ-CB 3.64Å; F247-P327 HydrophobicContact CZ-CG 3.4Å; F247-P327 VanDerWaalsContact CZ-CG 3.4Å |
| 248 | E | 79.8 | Confident | 74 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 45% | 0.449 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25 | -175.9 | -57.4 | -167.9 | 143.3 | 0 | 0 | 114.5 | Y250 G349 Q351 | E248-Y250 VanDerWaalsContact C-N 3.34Å; E248-G349 WeakPolarHBondContact O-CA 3.35Å; E248-Q351 PolarHBondContact OE1-NE2 3.02Å |
| 249 | W | 87.7 | Confident | 74.1 | Confident | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -11.6 | 178 | 44.3 | -101 | 0 | 0 | 0 | 113.5 | L244 F247 F272 V274 I326 P327 I330 P347 | L244-W249 HydrophobicContact CD2-CH2 4.04Å; F247-W249 HydrophobicContact CB-CD2 3.82Å; F247-W249 HydrophobicContact CB-CE3 4.37Å; F247-W249 HydrophobicContact CB-CG 4.27Å; F247-W249 HydrophobicContact CB-CH2 4.23Å; F247-W249 HydrophobicContact CB-CZ2 3.62Å; F247-W249 AromaticContact CD1-CZ2 3.89Å; F247-W249 HydrophobicContact CD1-CZ2 3.89Å; F247-W249 AromaticContact CD1-NE1 3.84Å; F247-W249 HydrophobicContact CD2-CH2 4.14Å; F247-W249 AromaticContact CD2-CZ2 3.8Å; F247-W249 HydrophobicContact CD2-CZ2 3.8Å; F247-W249 HydrophobicContact CE2-CZ2 4.45Å; F247-W249 AromaticContact CG-CE2 3.72Å; F247-W249 HydrophobicContact CG-CH2 4.21Å; F247-W249 AromaticContact CG-CZ2 3.49Å; F247-W249 HydrophobicContact CG-CZ2 3.49Å; F247-W249 VanDerWaalsContact CG-CZ2 3.49Å; F247-W249 AromaticContact CG-NE1 3.92Å; F247-W249 PolarHBondContact O-N 2.74Å; F247-W249 VanDerWaalsContact O-N 3.12Å; W249-F272 HydrophobicContact CB-CD2 4.39Å; W249-F272 HydrophobicContact CB-CE2 3.52Å; W249-F272 HydrophobicContact CB-CZ 3.76Å; W249-F272 HydrophobicContact CG-CE2 4Å; W249-F272 HydrophobicContact CG-CZ 4.19Å; W249-V274 HydrophobicContact CD2-CG2 4.21Å; W249-V274 HydrophobicContact CE3-CB 3.59Å; W249-V274 HydrophobicContact CE3-CG1 4.37Å; W249-V274 HydrophobicContact CE3-CG2 3.24Å; W249-V274 HydrophobicContact CZ3-CB 3.81Å; W249-V274 HydrophobicContact CZ3-CG1 4.08Å; W249-V274 HydrophobicContact CZ3-CG2 3.62Å; W249-V274 PolarHBondContact O-N 3.46Å; W249-I326 HydrophobicContact CH2-CG2 3.89Å; W249-I326 HydrophobicContact CZ3-CG2 4.11Å; W249-P327 HydrophobicContact CH2-CG 4.38Å; W249-P327 HydrophobicContact CZ2-CB 4.29Å; W249-P327 HydrophobicContact CZ2-CG 4.31Å; W249-I330 HydrophobicContact CD2-CG1 4.33Å; W249-I330 HydrophobicContact CD2-CG2 4.09Å; W249-I330 HydrophobicContact CE3-CG1 4.19Å; W249-I330 HydrophobicContact CG-CG2 4.26Å; W249-I330 HydrophobicContact CH2-CB 4.45Å; W249-I330 HydrophobicContact CH2-CG1 3.82Å; W249-I330 HydrophobicContact CZ2-CB 4.12Å; W249-I330 HydrophobicContact CZ2-CG1 3.99Å; W249-I330 HydrophobicContact CZ2-CG2 4.32Å; W249-I330 HydrophobicContact CZ3-CG1 3.93Å; W249-P347 HydrophobicContact CB-CB 3.71Å |
| 250 | Y | 87 | Confident | 74.8 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 8% | 0.078 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136 | -179.3 | 177.6 | -103.8 | 0 | 0 | 0 | 111.2 | L244 V245 F247 E248 K252 V274 D276 Y283 | L244-Y250 HydrophobicContact CB-CD1 3.59Å; L244-Y250 HydrophobicContact CB-CD2 3.83Å; L244-Y250 HydrophobicContact CB-CE1 3.83Å; L244-Y250 HydrophobicContact CB-CE2 4.12Å; L244-Y250 HydrophobicContact CB-CG 3.54Å; L244-Y250 HydrophobicContact CD1-CD2 3.94Å; L244-Y250 HydrophobicContact CD1-CE2 4.02Å; L244-Y250 HydrophobicContact CD1-CG 4.47Å; L244-Y250 WeakPolarHBondContact O-CB 3.28Å; L244-Y250 WeakPolarHBondContact O-CD1 3.22Å; V245-Y250 HydrophobicContact CB-CE1 4.47Å; V245-Y250 HydrophobicContact CG2-CD1 4.33Å; V245-Y250 HydrophobicContact CG2-CE1 3.79Å; F247-Y250 PolarHBondContact O-N 3.4Å; E248-Y250 VanDerWaalsContact C-N 3.34Å; Y250-K252 HydrophobicContact CE1-CB 3.85Å; Y250-K252 HydrophobicContact CE1-CG 4.48Å; Y250-V274 CarbonylContact C-O 3.59Å; Y250-V274 VanDerWaalsContact CA-O 3.29Å; Y250-V274 WeakPolarHBondContact CA-O 3.4Å; Y250-V274 HydrophobicContact CD2-CB 4.18Å; Y250-V274 HydrophobicContact CD2-CG1 4.03Å; Y250-V274 WeakPolarHBondContact CD2-O 3.24Å; Y250-D276 WeakPolarHBondContact CE2-OD1 3.27Å; Y250-D276 PolarHBondContact OH-OD1 3.22Å; Y250-Y283 AromaticContact CE2-CD1 3.72Å; Y250-Y283 HydrophobicContact CE2-CD1 3.72Å; Y250-Y283 AromaticContact CE2-CE1 3.69Å; Y250-Y283 HydrophobicContact CE2-CE1 3.69Å; Y250-Y283 AromaticContact CZ-CE1 4Å |
| 251 | S | 80.6 | Confident | 75.8 | Confident | 15 Ų | 15 | 57.2 Ų | 57.2 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 97.1 | 179.4 | -71.7 | 0 | 0 | 0 | 0 | 110.1 | G253 V254 V274 | S251-G253 VanDerWaalsContact C-N 3.32Å; S251-G253 PolarHBondContact O-N 3.38Å; S251-V254 PolarHBondContact O-N 3.36Å; S251-V274 PolarHBondContact N-O 3.08Å |
| 252 | K | 75.1 | Confident | 77.6 | Confident | 135 Ų | 135 | 52 Ų | 52 | 59% | 0.587 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -43.1 | -176.9 | -166.9 | 176.2 | -178.1 | 178.3 | 0 | 113.3 | Y250 D276 | Y250-K252 HydrophobicContact CE1-CB 3.85Å; Y250-K252 HydrophobicContact CE1-CG 4.48Å; K252-D276 WeakPolarHBondContact CG-OD2 3.12Å |
| 253 | G | 69.3 | Low | 79 | Confident | 69 Ų | 69 | 49.3 Ų | 49.3 | 71% | 0.711 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S251 | S251-G253 VanDerWaalsContact C-N 3.32Å; S251-G253 PolarHBondContact O-N 3.38Å |
| 254 | V | 76.6 | Confident | 79.8 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | trans | -96.8 | 117 | -179.8 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | S251 M258 A259 L262 I273 R275 | S251-V254 PolarHBondContact O-N 3.36Å; V254-M258 HydrophobicContact CG1-CB 4.03Å; V254-M258 HydrophobicContact CG1-CG 4.04Å; V254-A259 HydrophobicContact CG1-CB 3.83Å; V254-L262 HydrophobicContact CG1-CD1 4.14Å; V254-L262 HydrophobicContact CG2-CD1 4.18Å; V254-I273 HydrophobicContact CB-CD1 4.09Å; V254-I273 HydrophobicContact CG1-CD1 3.84Å; V254-I273 HydrophobicContact CG2-CD1 4.17Å; V254-R275 VanDerWaalsContact O-CB 3.23Å; V254-R275 WeakPolarHBondContact O-CB 3.38Å; V254-R275 WeakPolarHBondContact O-CD 3.44Å | ||
| 255 | N | 74.9 | Confident | 80.2 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | trans | -80.9 | -179 | 175.3 | 71.1 | 22.1 | 0 | 0 | 0 | 112 | N257 M258 A259 E471 | N255-N257 PolarHBondContact OD1-N 2.88Å; N255-M258 WeakPolarHBondContact OD1-CB 3.44Å; N255-M258 PolarHBondContact OD1-N 2.91Å; N255-A259 VanDerWaalsContact O-CB 3.31Å; N255-A259 WeakPolarHBondContact O-CB 3.37Å; N255-A259 PolarHBondContact O-N 3.16Å; N255-E471 PolarHBondContact ND2-OE1 3.24Å; N255-E471 PolarHBondContact ND2-OE2 3.38Å | ||
| 256 | R | 81.1 | Confident | 80.7 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.1 | -52.6 | -177.5 | -177 | -179.1 | 177.2 | 142.9 | -5 | 112.4 | M258 A259 E260 H302 | R256-M258 VanDerWaalsContact C-N 3.35Å; R256-M258 PolarHBondContact O-N 3.45Å; R256-A259 WeakPolarHBondContact O-CB 3.2Å; R256-A259 PolarHBondContact O-N 2.75Å; R256-E260 IonicContact NE-OE1 2.7Å; R256-E260 PolarHBondContact NE-OE1 3.26Å; R256-E260 IonicContact NH2-OE1 2.81Å; R256-E260 WeakPolarHBondContact O-CG 3.08Å; R256-E260 PolarHBondContact O-N 3.25Å; R256-H302 PolarHBondContact NE-NE2 2.81Å; R256-H302 PolarHBondContact NH2-CD2 2.78Å |
| 257 | N | 73.9 | Confident | 81.4 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | -175.4 | -66.5 | -36.4 | 0 | 0 | 0 | 111.7 | N255 E260 E261 E471 | N255-N257 PolarHBondContact OD1-N 2.88Å; N257-E260 WeakPolarHBondContact O-CA 2.96Å; N257-E260 WeakPolarHBondContact O-CB 3.31Å; N257-E260 PolarHBondContact O-N 3.45Å; N257-E260 VanDerWaalsContact O-N 3.11Å; N257-E261 PolarHBondContact O-N 2.68Å; N257-E471 PolarHBondContact ND2-OE1 2.73Å; N257-E471 PolarHBondContact ND2-OE2 3.44Å |
| 258 | M | 75.9 | Confident | 81.9 | Confident | 25 Ų | 25 | 65 Ų | 65 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.3 | -173.1 | 60.7 | 149.2 | 0 | 0 | 111.7 | V254 N255 R256 E260 E261 L262 K350 A503 | V254-M258 HydrophobicContact CG1-CB 4.03Å; V254-M258 HydrophobicContact CG1-CG 4.04Å; N255-M258 WeakPolarHBondContact OD1-CB 3.44Å; N255-M258 PolarHBondContact OD1-N 2.91Å; R256-M258 VanDerWaalsContact C-N 3.35Å; R256-M258 PolarHBondContact O-N 3.45Å; M258-E260 VanDerWaalsContact C-N 3.26Å; M258-E260 PolarHBondContact O-N 2.99Å; M258-E261 PolarHBondContact O-N 3.42Å; M258-L262 HydrophobicContact CG-CD1 4.1Å; M258-L262 HydrophobicContact CG-CG 4.44Å; M258-L262 WeakPolarHBondContact O-CB 3.36Å; M258-L262 WeakPolarHBondContact O-CG 3.38Å; M258-L262 PolarHBondContact O-N 3.08Å; M258-L262 HydrophobicContact SD-CG 4.5Å; M258-K350 HydrophobicContact CE-CD 4.38Å; M258-K350 VanDerWaalsContact CE-CE 3.45Å; M258-A503 HydrophobicContact CE-CB 4.32Å; M258-A503 WeakPolarHBondContact CE-O 3.4Å |
| 259 | A | 83.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V254 N255 R256 L262 L263 I273 | V254-A259 HydrophobicContact CG1-CB 3.83Å; N255-A259 VanDerWaalsContact O-CB 3.31Å; N255-A259 WeakPolarHBondContact O-CB 3.37Å; N255-A259 PolarHBondContact O-N 3.16Å; R256-A259 WeakPolarHBondContact O-CB 3.2Å; R256-A259 PolarHBondContact O-N 2.75Å; A259-L262 PolarHBondContact O-N 3.26Å; A259-L263 VanDerWaalsContact O-CB 3.23Å; A259-L263 WeakPolarHBondContact O-CB 3.13Å; A259-L263 WeakPolarHBondContact O-CD1 2.83Å; A259-L263 WeakPolarHBondContact O-CG 3.37Å; A259-L263 PolarHBondContact O-N 3.38Å; A259-I273 HydrophobicContact CB-CG2 3.7Å |
| 260 | E | 85.9 | Confident | 82.4 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 177.7 | -68.1 | -172.6 | -167 | 0 | 0 | 112.7 | R256 N257 M258 L263 R264 I300 H302 | R256-E260 IonicContact NE-OE1 2.7Å; R256-E260 PolarHBondContact NE-OE1 3.26Å; R256-E260 IonicContact NH2-OE1 2.81Å; R256-E260 WeakPolarHBondContact O-CG 3.08Å; R256-E260 PolarHBondContact O-N 3.25Å; N257-E260 WeakPolarHBondContact O-CA 2.96Å; N257-E260 WeakPolarHBondContact O-CB 3.31Å; N257-E260 PolarHBondContact O-N 3.45Å; N257-E260 VanDerWaalsContact O-N 3.11Å; M258-E260 VanDerWaalsContact C-N 3.26Å; M258-E260 PolarHBondContact O-N 2.99Å; E260-L263 PolarHBondContact O-N 2.95Å; E260-R264 WeakPolarHBondContact O-CB 3.32Å; E260-R264 VanDerWaalsContact O-CG 3.25Å; E260-R264 WeakPolarHBondContact O-CG 3.13Å; E260-R264 PolarHBondContact O-N 3.09Å; E260-I300 HydrophobicContact CB-CD1 3.77Å; E260-I300 HydrophobicContact CG-CB 4.26Å; E260-I300 HydrophobicContact CG-CD1 3.97Å; E260-I300 HydrophobicContact CG-CG2 3.96Å; E260-I300 WeakPolarHBondContact O-CD1 3.21Å; E260-H302 IonicContact OE1-CD2 2.69Å; E260-H302 IonicContact OE1-CE1 3.85Å; E260-H302 IonicContact OE1-NE2 3.48Å; E260-H302 PolarHBondContact OE1-NE2 3.37Å |
| 261 | E | 82.9 | Confident | 82.7 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 176.5 | -170.5 | 179.7 | 175.4 | 0 | 0 | 111.8 | N257 M258 L263 R264 K265 | N257-E261 PolarHBondContact O-N 2.68Å; M258-E261 PolarHBondContact O-N 3.42Å; E261-L263 PolarHBondContact O-N 3.02Å; E261-R264 PolarHBondContact O-N 2.96Å; E261-K265 WeakPolarHBondContact O-CB 3.39Å; E261-K265 PolarHBondContact O-N 3.38Å |
| 262 | L | 84.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.7 | -71.3 | 172 | 0 | 0 | 0 | 111.9 | V254 M258 A259 K265 E266 I273 V348 K350 | V254-L262 HydrophobicContact CG1-CD1 4.14Å; V254-L262 HydrophobicContact CG2-CD1 4.18Å; M258-L262 HydrophobicContact CG-CD1 4.1Å; M258-L262 HydrophobicContact CG-CG 4.44Å; M258-L262 WeakPolarHBondContact O-CB 3.36Å; M258-L262 WeakPolarHBondContact O-CG 3.38Å; M258-L262 PolarHBondContact O-N 3.08Å; M258-L262 HydrophobicContact SD-CG 4.5Å; A259-L262 PolarHBondContact O-N 3.26Å; L262-K265 PolarHBondContact O-N 3.42Å; L262-E266 PolarHBondContact O-N 3.4Å; L262-I273 HydrophobicContact CD1-CD1 4.47Å; L262-V348 HydrophobicContact CB-CG1 3.95Å; L262-K350 HydrophobicContact CD1-CG 4.11Å; L262-K350 HydrophobicContact CD2-CG 4.05Å |
| 263 | L | 88.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 178.2 | -73.4 | 172 | 0 | 0 | 0 | 112.1 | A259 E260 E261 K265 E266 D267 A271 I273 Y288 I300 V348 | A259-L263 VanDerWaalsContact O-CB 3.23Å; A259-L263 WeakPolarHBondContact O-CB 3.13Å; A259-L263 WeakPolarHBondContact O-CD1 2.83Å; A259-L263 WeakPolarHBondContact O-CG 3.37Å; A259-L263 PolarHBondContact O-N 3.38Å; E260-L263 PolarHBondContact O-N 2.95Å; E261-L263 PolarHBondContact O-N 3.02Å; L263-K265 VanDerWaalsContact C-N 3.3Å; L263-K265 PolarHBondContact O-N 3.41Å; L263-E266 PolarHBondContact O-N 2.71Å; L263-D267 PolarHBondContact O-N 2.99Å; L263-D267 VanDerWaalsContact O-N 3.14Å; L263-A271 HydrophobicContact CD2-CB 4Å; L263-A271 WeakPolarHBondContact CD2-O 3.43Å; L263-I273 HydrophobicContact CD1-CG2 4.17Å; L263-I273 HydrophobicContact CG-CG2 4.37Å; L263-Y288 HydrophobicContact CB-CD2 4.38Å; L263-I300 HydrophobicContact CB-CD1 4.15Å; L263-I300 HydrophobicContact CB-CG1 4.32Å; L263-I300 HydrophobicContact CD1-CG1 4.44Å; L263-I300 HydrophobicContact CD1-CG2 3.77Å; L263-V348 HydrophobicContact CD2-CB 3.99Å; L263-V348 HydrophobicContact CD2-CG1 4.39Å; L263-V348 HydrophobicContact CD2-CG2 3.89Å |
| 264 | R | 86.3 | Confident | 85.2 | Confident | 128 Ų | 128 | 52 Ų | 52 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.6 | -37 | 173.6 | -75.4 | 178.2 | -165.8 | -80.4 | 0.6 | 111.8 | E260 E261 D267 I300 | E260-R264 WeakPolarHBondContact O-CB 3.32Å; E260-R264 VanDerWaalsContact O-CG 3.25Å; E260-R264 WeakPolarHBondContact O-CG 3.13Å; E260-R264 PolarHBondContact O-N 3.09Å; E261-R264 PolarHBondContact O-N 2.96Å; R264-D267 PolarHBondContact O-N 3.42Å; R264-I300 HydrophobicContact CG-CD1 3.71Å |
| 265 | K | 85.3 | Confident | 85.7 | Confident | 183 Ų | 183 | 51.9 Ų | 51.9 | 80% | 0.796 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -67.4 | -36.8 | 176.9 | -174.3 | 179.3 | 178.8 | -179.6 | 0 | 112.4 | E261 L262 L263 | E261-K265 WeakPolarHBondContact O-CB 3.39Å; E261-K265 PolarHBondContact O-N 3.38Å; L262-K265 PolarHBondContact O-N 3.42Å; L263-K265 VanDerWaalsContact C-N 3.3Å; L263-K265 PolarHBondContact O-N 3.41Å |
| 266 | E | 85.7 | Confident | 86.1 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 36% | 0.355 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.3 | -35.6 | 176.7 | -170.3 | 63.9 | -156.8 | 0 | 0 | 112.3 | L262 L263 K268 A271 V348 | L262-E266 PolarHBondContact O-N 3.4Å; L263-E266 PolarHBondContact O-N 2.71Å; E266-K268 VanDerWaalsContact C-N 3.27Å; E266-K268 HydrophobicContact CG-CB 4.36Å; E266-K268 HydrophobicContact CG-CD 4.19Å; E266-K268 HydrophobicContact CG-CG 4.38Å; E266-K268 PolarHBondContact O-N 3.18Å; E266-K268 WeakPolarHBondContact OE1-CD 3.34Å; E266-K268 VanDerWaalsContact OE1-CE 3.28Å; E266-K268 WeakPolarHBondContact OE1-CE 3.46Å; E266-K268 IonicContact OE1-NZ 3.17Å; E266-K268 PolarHBondContact OE1-NZ 2.67Å; E266-A271 HydrophobicContact CB-CB 4.48Å; E266-A271 HydrophobicContact CG-CB 4.16Å; E266-V348 HydrophobicContact CB-CG2 3.89Å; E266-V348 HydrophobicContact CG-CG2 3.74Å |
| 267 | D | 86.4 | Confident | 85.9 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | trans | 49.1 | 37.9 | 177.2 | -171.4 | 37.6 | 0 | 0 | 0 | 115.4 | L263 R264 Y288 K290 | L263-D267 PolarHBondContact O-N 2.99Å; L263-D267 VanDerWaalsContact O-N 3.14Å; R264-D267 PolarHBondContact O-N 3.42Å; D267-Y288 PolarHBondContact OD1-OH 3.22Å; D267-K290 WeakPolarHBondContact O-CE 3.43Å; D267-K290 PolarHBondContact O-NZ 3.2Å; D267-K290 WeakPolarHBondContact OD1-CE 3.43Å; D267-K290 IonicContact OD1-NZ 2.86Å; D267-K290 PolarHBondContact OD1-NZ 2.95Å; D267-K290 IonicContact OD2-NZ 3.95Å; D267-K290 PolarHBondContact OD2-NZ 2.9Å | ||
| 268 | K | 88.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 47.7 Ų | 47.7 | 40% | 0.4 | 23% | 0.227 | S | C | . | . | trans | -115.5 | 132.4 | 177.1 | -70.8 | 174.1 | -170.4 | 158.9 | 0 | 111.8 | E266 G270 A271 Y288 Y346 | E266-K268 VanDerWaalsContact C-N 3.27Å; E266-K268 HydrophobicContact CG-CB 4.36Å; E266-K268 HydrophobicContact CG-CD 4.19Å; E266-K268 HydrophobicContact CG-CG 4.38Å; E266-K268 PolarHBondContact O-N 3.18Å; E266-K268 WeakPolarHBondContact OE1-CD 3.34Å; E266-K268 VanDerWaalsContact OE1-CE 3.28Å; E266-K268 WeakPolarHBondContact OE1-CE 3.46Å; E266-K268 IonicContact OE1-NZ 3.17Å; E266-K268 PolarHBondContact OE1-NZ 2.67Å; K268-G270 PolarHBondContact O-N 2.95Å; K268-A271 HydrophobicContact CB-CB 4.26Å; K268-A271 WeakPolarHBondContact O-CB 3.02Å; K268-A271 PolarHBondContact O-N 2.09Å; K268-Y288 WeakPolarHBondContact O-CD1 3.44Å; K268-Y346 HydrophobicContact CB-CD2 3.62Å; K268-Y346 HydrophobicContact CB-CE2 4Å; K268-Y346 HydrophobicContact CB-CG 4.15Å; K268-Y346 HydrophobicContact CD-CD1 4.18Å; K268-Y346 HydrophobicContact CD-CD2 4.23Å; K268-Y346 HydrophobicContact CD-CE1 4.46Å; K268-Y346 HydrophobicContact CD-CG 4.05Å; K268-Y346 HydrophobicContact CG-CD2 4.5Å | ||
| 269 | E | 90.7 | Very high | 84.7 | Confident | 84 Ų | 84 | 51 Ų | 51 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 124.8 | 178.4 | -168.4 | -167 | 139.6 | 0 | 0 | 111.4 | A271 K290 R345 Y346 | E269-A271 VanDerWaalsContact C-N 3.32Å; E269-K290 HydrophobicContact CB-CG 4.35Å; E269-R345 VanDerWaalsContact CD-NH2 3.28Å; E269-R345 PolarHBondContact O-NE 2.85Å; E269-R345 IonicContact OE1-NH2 2.67Å; E269-R345 PolarHBondContact OE1-NH2 3.05Å; E269-R345 IonicContact OE2-NH2 3.74Å; E269-Y346 WeakPolarHBondContact O-CE2 3.4Å |
| 270 | G | 89 | Confident | 83.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 12.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K268 Y288 R343 R345 Y346 | K268-G270 PolarHBondContact O-N 2.95Å; G270-Y288 PolarHBondContact N-O 3.17Å; G270-R343 WeakPolarHBondContact CA-O 3.36Å; G270-R345 PolarHBondContact O-N 2.77Å; G270-Y346 PolarHBondContact O-N 2.81Å; G270-Y346 VanDerWaalsContact O-N 3.11Å |
| 271 | A | 92.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 134.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L263 E266 K268 E269 Y288 Y346 V348 | L263-A271 HydrophobicContact CD2-CB 4Å; L263-A271 WeakPolarHBondContact CD2-O 3.43Å; E266-A271 HydrophobicContact CB-CB 4.48Å; E266-A271 HydrophobicContact CG-CB 4.16Å; K268-A271 HydrophobicContact CB-CB 4.26Å; K268-A271 WeakPolarHBondContact O-CB 3.02Å; K268-A271 PolarHBondContact O-N 2.09Å; E269-A271 VanDerWaalsContact C-N 3.32Å; A271-Y288 PolarHBondContact O-N 3.49Å; A271-Y346 CarbonylContact C-O 3.45Å; A271-Y346 WeakPolarHBondContact CA-O 3.47Å; A271-V348 HydrophobicContact CB-CG2 3.83Å |
| 272 | F | 94.1 | Very high | 82.4 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 153.2 | -172.9 | 77.3 | -77.7 | 0 | 0 | 0 | 112.9 | W249 V274 V285 S286 L287 I330 L344 Y346 P347 V348 | W249-F272 HydrophobicContact CB-CD2 4.39Å; W249-F272 HydrophobicContact CB-CE2 3.52Å; W249-F272 HydrophobicContact CB-CZ 3.76Å; W249-F272 HydrophobicContact CG-CE2 4Å; W249-F272 HydrophobicContact CG-CZ 4.19Å; F272-V274 HydrophobicContact CD2-CG2 4.44Å; F272-V274 HydrophobicContact CE2-CG2 4.43Å; F272-V285 HydrophobicContact CD2-CG1 4.44Å; F272-S286 CarbonylContact C-O 3.18Å; F272-S286 WeakPolarHBondContact CA-O 3.39Å; F272-L287 HydrophobicContact CB-CD1 4.01Å; F272-I330 HydrophobicContact CE2-CD1 4.45Å; F272-I330 HydrophobicContact CE2-CG2 3.74Å; F272-I330 HydrophobicContact CZ-CG2 3.91Å; F272-L344 HydrophobicContact CB-CD2 3.76Å; F272-L344 HydrophobicContact CD1-CB 3.65Å; F272-L344 HydrophobicContact CD1-CD2 4.35Å; F272-L344 HydrophobicContact CD2-CB 4.17Å; F272-L344 HydrophobicContact CD2-CD1 4.06Å; F272-L344 HydrophobicContact CD2-CD2 4.09Å; F272-L344 HydrophobicContact CD2-CG 4.33Å; F272-L344 HydrophobicContact CE1-CB 3.69Å; F272-L344 HydrophobicContact CE2-CB 4.2Å; F272-L344 HydrophobicContact CE2-CD1 4.11Å; F272-L344 HydrophobicContact CG-CB 3.9Å; F272-L344 HydrophobicContact CG-CD2 3.81Å; F272-L344 HydrophobicContact CG-CG 4.27Å; F272-L344 HydrophobicContact CZ-CB 3.97Å; F272-Y346 WeakPolarHBondContact CD1-O 3.27Å; F272-Y346 PolarHBondContact N-O 2.91Å; F272-P347 HydrophobicContact CE1-CB 4.02Å; F272-P347 HydrophobicContact CZ-CB 4.06Å; F272-P347 CarbonylContact O-C 3.58Å; F272-V348 PolarHBondContact O-N 2.98Å |
| 273 | I | 92 | Very high | 82.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.8 | 172.6 | -171.5 | 170.7 | 0 | 0 | 0 | 109.5 | V254 A259 L262 L263 V285 S286 V348 | V254-I273 HydrophobicContact CB-CD1 4.09Å; V254-I273 HydrophobicContact CG1-CD1 3.84Å; V254-I273 HydrophobicContact CG2-CD1 4.17Å; A259-I273 HydrophobicContact CB-CG2 3.7Å; L262-I273 HydrophobicContact CD1-CD1 4.47Å; L263-I273 HydrophobicContact CD1-CG2 4.17Å; L263-I273 HydrophobicContact CG-CG2 4.37Å; I273-V285 CarbonylContact O-C 3.52Å; I273-V285 WeakPolarHBondContact O-CA 3.39Å; I273-S286 PolarHBondContact N-O 3.46Å; I273-S286 PolarHBondContact O-N 3.34Å; I273-V348 WeakPolarHBondContact CB-O 3.38Å; I273-V348 WeakPolarHBondContact CD1-O 3.41Å; I273-V348 WeakPolarHBondContact CG1-O 3.48Å |
| 274 | V | 91.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128 | 169 | -169.9 | 0 | 0 | 0 | 0 | 107.8 | W249 Y250 S251 F272 T284 V285 I305 I330 | W249-V274 HydrophobicContact CD2-CG2 4.21Å; W249-V274 HydrophobicContact CE3-CB 3.59Å; W249-V274 HydrophobicContact CE3-CG1 4.37Å; W249-V274 HydrophobicContact CE3-CG2 3.24Å; W249-V274 HydrophobicContact CZ3-CB 3.81Å; W249-V274 HydrophobicContact CZ3-CG1 4.08Å; W249-V274 HydrophobicContact CZ3-CG2 3.62Å; W249-V274 PolarHBondContact O-N 3.46Å; Y250-V274 CarbonylContact C-O 3.59Å; Y250-V274 VanDerWaalsContact CA-O 3.29Å; Y250-V274 WeakPolarHBondContact CA-O 3.4Å; Y250-V274 HydrophobicContact CD2-CB 4.18Å; Y250-V274 HydrophobicContact CD2-CG1 4.03Å; Y250-V274 WeakPolarHBondContact CD2-O 3.24Å; S251-V274 PolarHBondContact N-O 3.08Å; F272-V274 HydrophobicContact CD2-CG2 4.44Å; F272-V274 HydrophobicContact CE2-CG2 4.43Å; V274-T284 WeakPolarHBondContact CA-O 3.2Å; V274-V285 HydrophobicContact CG2-CG2 4.1Å; V274-I305 HydrophobicContact CG1-CD1 3.98Å; V274-I330 HydrophobicContact CG2-CD1 3.61Å; V274-I330 HydrophobicContact CG2-CG1 4.21Å |
| 275 | R | 87.9 | Confident | 83 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.038 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 163.2 | -178.8 | 54.4 | 177.4 | 178.7 | 83.1 | -1.1 | 110.3 | V254 S277 Y283 T284 S286 H302 | V254-R275 VanDerWaalsContact O-CB 3.23Å; V254-R275 WeakPolarHBondContact O-CB 3.38Å; V254-R275 WeakPolarHBondContact O-CD 3.44Å; R275-S277 PolarHBondContact O-N 2.62Å; R275-Y283 WeakPolarHBondContact O-CA 3.46Å; R275-T284 PolarHBondContact N-O 2.94Å; R275-T284 PolarHBondContact O-N 3.49Å; R275-S286 PolarHBondContact NE-OG 3.24Å; R275-H302 PolarHBondContact NH2-ND1 3.22Å |
| 276 | D | 82.9 | Confident | 83.3 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 28% | 0.278 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 137.7 | 165.7 | -69.5 | -5.7 | 0 | 0 | 0 | 108.5 | Y250 K252 Y283 | Y250-D276 WeakPolarHBondContact CE2-OD1 3.27Å; Y250-D276 PolarHBondContact OH-OD1 3.22Å; K252-D276 WeakPolarHBondContact CG-OD2 3.12Å; D276-Y283 WeakPolarHBondContact OD1-CE1 3.44Å |
| 277 | S | 76.6 | Confident | 83.6 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -76 | 161.2 | 172.8 | -161.7 | 0 | 0 | 0 | 0 | 109.7 | R275 H279 T282 T284 H304 | R275-S277 PolarHBondContact O-N 2.62Å; S277-H279 PolarHBondContact O-N 2.86Å; S277-T282 WeakPolarHBondContact CB-O 3.42Å; S277-T282 WeakPolarHBondContact CB-OG1 3.41Å; S277-T282 PolarHBondContact N-O 3.38Å; S277-T282 PolarHBondContact OG-OG1 3.26Å; S277-T284 PolarHBondContact OG-OG1 3.11Å; S277-H304 PolarHBondContact OG-CD2 2.99Å | ||
| 278 | S | 65.4 | Low | 83.9 | Confident | 67 Ų | 67 | 35.5 Ų | 35.5 | 47% | 0.469 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -59.4 | -29.1 | 168.6 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | E627 | S278-E627 VanDerWaalsContact C-OE1 3.26Å; S278-E627 WeakPolarHBondContact CB-OE1 3.19Å |
| 279 | H | 59.7 | Low | 83.9 | Confident | 94 Ų | 94 | 32 Ų | 32 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -80.2 | 129.3 | 174.4 | -67.2 | 35.8 | 0 | 0 | 0 | 111.7 | S277 S281 T282 E627 | S277-H279 PolarHBondContact O-N 2.86Å; H279-S281 PolarHBondContact O-N 3.1Å; H279-T282 HydrophobicContact CB-CG2 4.48Å; H279-T282 WeakPolarHBondContact CB-OG1 3.38Å; H279-T282 PolarHBondContact O-N 3.03Å; H279-T282 PolarHBondContact O-OG1 3.14Å; H279-E627 VanDerWaalsContact CE1-CD 3.43Å; H279-E627 IonicContact CE1-OE1 3.24Å; H279-E627 PolarHBondContact CE1-OE1 3.47Å; H279-E627 VanDerWaalsContact CE1-OE1 3.31Å; H279-E627 IonicContact CE1-OE2 3.98Å; H279-E627 PolarHBondContact CE1-OE2 3.11Å; H279-E627 IonicContact CG-OE1 3.87Å; H279-E627 IonicContact ND1-OE1 2.67Å; H279-E627 PolarHBondContact ND1-OE1 2.67Å; H279-E627 IonicContact ND1-OE2 3.33Å; H279-E627 PolarHBondContact ND1-OE2 3.48Å |
| 280 | P | 58.6 | Low | 83.5 | Confident | 111 Ų | 111 | 32 Ų | 32 | 72% | 0.721 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | 136.6 | 178.7 | -25.8 | 32.6 | 0 | 0 | 0 | 112.1 | T282 | P280-T282 PolarHBondContact O-N 2.96Š|
| 281 | S | 64.8 | Low | 82.5 | Confident | 107 Ų | 107 | 34 Ų | 34 | 75% | 0.748 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.3 | 176.7 | 65.8 | 0 | 0 | 0 | 0 | 116.5 | H279 | H279-S281 PolarHBondContact O-N 3.1Š|
| 282 | T | 80.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 37.2 Ų | 37.2 | 27% | 0.27 | 23% | 0.231 | S | C | . | . | trans | -121.5 | 159.7 | 171.9 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | S277 H279 P280 | S277-T282 WeakPolarHBondContact CB-O 3.42Å; S277-T282 WeakPolarHBondContact CB-OG1 3.41Å; S277-T282 PolarHBondContact N-O 3.38Å; S277-T282 PolarHBondContact OG-OG1 3.26Å; H279-T282 HydrophobicContact CB-CG2 4.48Å; H279-T282 WeakPolarHBondContact CB-OG1 3.38Å; H279-T282 PolarHBondContact O-N 3.03Å; H279-T282 PolarHBondContact O-OG1 3.14Å; P280-T282 PolarHBondContact O-N 2.96Å | ||
| 283 | Y | 88.6 | Confident | 78.6 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.1 | -175.4 | -59.1 | -79.1 | 0 | 0 | 0 | 110.9 | L244 Y250 R275 D276 I305 I326 | L244-Y283 HydrophobicContact CD1-CD1 3.97Å; L244-Y283 HydrophobicContact CD1-CD2 4.43Å; L244-Y283 HydrophobicContact CD1-CE1 3.72Å; L244-Y283 HydrophobicContact CD1-CE2 4.19Å; L244-Y283 HydrophobicContact CD1-CG 4.29Å; Y250-Y283 AromaticContact CE2-CD1 3.72Å; Y250-Y283 HydrophobicContact CE2-CD1 3.72Å; Y250-Y283 AromaticContact CE2-CE1 3.69Å; Y250-Y283 HydrophobicContact CE2-CE1 3.69Å; Y250-Y283 AromaticContact CZ-CE1 4Å; R275-Y283 WeakPolarHBondContact O-CA 3.46Å; D276-Y283 WeakPolarHBondContact OD1-CE1 3.44Å; Y283-I305 WeakPolarHBondContact O-CB 3.4Å; Y283-I305 PolarHBondContact O-N 2.85Å; Y283-I326 HydrophobicContact CD2-CD1 3.2Å; Y283-I326 HydrophobicContact CE2-CD1 3.46Å; Y283-I326 VanDerWaalsContact CE2-CD1 3.46Å; Y283-I326 HydrophobicContact CG-CD1 3.95Å |
| 284 | T | 90 | Very high | 76.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.5 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | V274 R275 S277 H302 Y303 H304 | V274-T284 WeakPolarHBondContact CA-O 3.2Å; R275-T284 PolarHBondContact N-O 2.94Å; R275-T284 PolarHBondContact O-N 3.49Å; S277-T284 PolarHBondContact OG-OG1 3.11Å; T284-H302 HydrophobicContact CG2-CB 4.02Å; T284-Y303 CarbonylContact C-O 3.58Å; T284-Y303 WeakPolarHBondContact CA-O 3.41Å; T284-H304 PolarHBondContact OG1-CD2 2.79Å |
| 285 | V | 92.3 | Very high | 74.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 115.1 | 170.3 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | F272 I273 V274 H302 Y303 I305 L317 I330 L344 | F272-V285 HydrophobicContact CD2-CG1 4.44Å; I273-V285 CarbonylContact O-C 3.52Å; I273-V285 WeakPolarHBondContact O-CA 3.39Å; V274-V285 HydrophobicContact CG2-CG2 4.1Å; V285-H302 CarbonylContact O-C 3.56Å; V285-H302 WeakPolarHBondContact O-CA 3.48Å; V285-Y303 PolarHBondContact N-O 2.78Å; V285-Y303 PolarHBondContact O-N 2.64Å; V285-I305 HydrophobicContact CG2-CD1 3.78Å; V285-I305 HydrophobicContact CG2-CG1 3.93Å; V285-L317 HydrophobicContact CB-CD2 4.37Å; V285-L317 HydrophobicContact CG2-CD1 4.04Å; V285-L317 HydrophobicContact CG2-CD2 3.88Å; V285-I330 HydrophobicContact CG2-CD1 4.09Å; V285-L344 HydrophobicContact CG1-CD1 4.45Å; V285-L344 HydrophobicContact CG1-CD2 4.02Å |
| 286 | S | 91.9 | Very high | 73.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 172.9 | -42.7 | 0 | 0 | 0 | 0 | 108.4 | F272 I273 R275 K301 H302 | F272-S286 CarbonylContact C-O 3.18Å; F272-S286 WeakPolarHBondContact CA-O 3.39Å; I273-S286 PolarHBondContact N-O 3.46Å; I273-S286 PolarHBondContact O-N 3.34Å; R275-S286 PolarHBondContact NE-OG 3.24Å; S286-K301 CarbonylContact C-O 3.52Å; S286-K301 WeakPolarHBondContact CA-O 3.11Å; S286-H302 PolarHBondContact OG-ND1 3.39Å; S286-H302 VanDerWaalsContact OG-ND1 3.1Å |
| 287 | L | 92.6 | Very high | 72 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.3 | -169.5 | 176.3 | 63.8 | 0 | 0 | 0 | 111.1 | F272 I300 K301 Y303 L340 A342 L344 | F272-L287 HydrophobicContact CB-CD1 4.01Å; L287-I300 CarbonylContact O-C 3.59Å; L287-I300 WeakPolarHBondContact O-CA 3.4Å; L287-K301 PolarHBondContact N-O 3.48Å; L287-K301 PolarHBondContact O-N 3.1Å; L287-Y303 HydrophobicContact CB-CD2 4.45Å; L287-Y303 HydrophobicContact CB-CE2 4.02Å; L287-Y303 HydrophobicContact CD2-CE2 3.89Å; L287-L340 HydrophobicContact CD2-CB 4.29Å; L287-A342 HydrophobicContact CD2-CB 4.23Å; L287-A342 WeakPolarHBondContact CD2-O 3.45Å; L287-L344 HydrophobicContact CD1-CD2 3.83Å; L287-L344 HydrophobicContact CD2-CD2 4.49Å |
| 288 | Y | 92.7 | Very high | 71.6 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.3 | 173 | -171.5 | -95.3 | 0 | 0 | 0 | 111.7 | L263 D267 K268 G270 A271 K290 P298 I300 | L263-Y288 HydrophobicContact CB-CD2 4.38Å; D267-Y288 PolarHBondContact OD1-OH 3.22Å; K268-Y288 WeakPolarHBondContact O-CD1 3.44Å; G270-Y288 PolarHBondContact N-O 3.17Å; A271-Y288 PolarHBondContact O-N 3.49Å; Y288-K290 HydrophobicContact CE1-CD 4.49Å; Y288-K290 HydrophobicContact CE1-CG 3.73Å; Y288-P298 HydrophobicContact CE2-CB 3.96Å; Y288-P298 WeakPolarHBondContact OH-CB 3.48Å; Y288-I300 HydrophobicContact CD2-CD1 4.24Å; Y288-I300 HydrophobicContact CD2-CG1 3.75Å |
| 289 | T | 88.1 | Confident | 72.4 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 10% | 0.104 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.9 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | M299 A341 | T289-M299 HydrophobicContact CG2-CB 4.17Å; T289-M299 WeakPolarHBondContact CG2-O 3.08Å; T289-M299 PolarHBondContact N-O 3.45Å; T289-M299 PolarHBondContact O-N 3.37Å; T289-A341 HydrophobicContact CG2-CB 4.36Å |
| 290 | K | 81.4 | Confident | 73.8 | Confident | 85 Ų | 85 | 57.9 Ų | 57.9 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | trans | -78.6 | 124 | 166.7 | -64.2 | -170 | 178 | -165.9 | 0 | 106.1 | D267 E269 Y288 G292 | D267-K290 WeakPolarHBondContact O-CE 3.43Å; D267-K290 PolarHBondContact O-NZ 3.2Å; D267-K290 WeakPolarHBondContact OD1-CE 3.43Å; D267-K290 IonicContact OD1-NZ 2.86Å; D267-K290 PolarHBondContact OD1-NZ 2.95Å; D267-K290 IonicContact OD2-NZ 3.95Å; D267-K290 PolarHBondContact OD2-NZ 2.9Å; E269-K290 HydrophobicContact CB-CG 4.35Å; Y288-K290 HydrophobicContact CE1-CD 4.49Å; Y288-K290 HydrophobicContact CE1-CG 3.73Å; K290-G292 PolarHBondContact O-N 3.48Å | ||
| 291 | A | 67.4 | Low | 75.2 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | trans | -54.6 | 131 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S293 G296 | A291-S293 PolarHBondContact O-N 2.88Å; A291-S293 VanDerWaalsContact O-N 3.15Å; A291-G296 WeakPolarHBondContact CB-O 3.35Å | ||
| 292 | G | 57 | Low | 76.3 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 68% | 0.68 | 34% | 0.336 | S | S | * | . | trans | -66.6 | 113.2 | 171 | 0 | 0 | 0 | 0 | 0 | 108.8 | K290 G294 | K290-G292 PolarHBondContact O-N 3.48Å; G292-G294 PolarHBondContact O-N 3.33Å | ||
| 293 | S | 49.5 | Very low | 76.6 | Confident | 138 Ų | 138 | 52.9 Ų | 52.9 | 97% | 0.965 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 31.7 | 44.4 | 154 | -38 | 0 | 0 | 0 | 0 | 117.5 | A291 | A291-S293 PolarHBondContact O-N 2.88Å; A291-S293 VanDerWaalsContact O-N 3.15Å |
| 294 | G | 47 | Very low | 76.6 | Confident | 56 Ų | 56 | 55 Ų | 55 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 177.8 | 96.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G292 G296 | G292-G294 PolarHBondContact O-N 3.33Å; G294-G296 VanDerWaalsContact C-N 3.26Å; G294-G296 PolarHBondContact O-N 2.78Å |
| 295 | E | 52.1 | Low | 76.6 | Confident | 215 Ų | 215 | 55.3 Ų | 55.3 | 100% | 1.005 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 44.6 | 13.3 | 158.5 | -65 | -168.6 | 163.1 | 0 | 0 | 121.8 | ||
| 296 | G | 55 | Low | 76.4 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -109 | 137.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A291 G294 | A291-G296 WeakPolarHBondContact CB-O 3.35Å; G294-G296 VanDerWaalsContact C-N 3.26Å; G294-G296 PolarHBondContact O-N 2.78Å | ||
| 297 | G | 61.8 | Low | 76.2 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 56% | 0.557 | 38% | 0.38 | S | S | * | . | trans | -65.2 | 178.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M299 | G297-M299 PolarHBondContact O-N 2.75Š| ||
| 298 | P | 66.7 | Low | 75.7 | Confident | 65 Ų | 65 | 64.7 Ų | 64.7 | 42% | 0.422 | 39% | 0.388 | S | S | . | . | trans | -53.9 | 130.2 | 170.2 | 22.8 | -32.3 | 0 | 0 | 0 | 110.9 | Y288 | Y288-P298 HydrophobicContact CE2-CB 3.96Å; Y288-P298 WeakPolarHBondContact OH-CB 3.48Å | ||
| 299 | M | 82.3 | Confident | 75.3 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 45% | 0.453 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 142.6 | -172.9 | -167 | 172.1 | 75.1 | 0 | 0 | 110.8 | T289 G297 K301 | T289-M299 HydrophobicContact CG2-CB 4.17Å; T289-M299 WeakPolarHBondContact CG2-O 3.08Å; T289-M299 PolarHBondContact N-O 3.45Å; T289-M299 PolarHBondContact O-N 3.37Å; G297-M299 PolarHBondContact O-N 2.75Å; M299-K301 HydrophobicContact CE-CD 3.93Å; M299-K301 HydrophobicContact CE-CG 3.68Å |
| 300 | I | 88.5 | Confident | 74.8 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 8% | 0.082 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.6 | 173.3 | -66.7 | 150.7 | 0 | 0 | 0 | 108.1 | E260 L263 R264 L287 Y288 | E260-I300 HydrophobicContact CB-CD1 3.77Å; E260-I300 HydrophobicContact CG-CB 4.26Å; E260-I300 HydrophobicContact CG-CD1 3.97Å; E260-I300 HydrophobicContact CG-CG2 3.96Å; E260-I300 WeakPolarHBondContact O-CD1 3.21Å; L263-I300 HydrophobicContact CB-CD1 4.15Å; L263-I300 HydrophobicContact CB-CG1 4.32Å; L263-I300 HydrophobicContact CD1-CG1 4.44Å; L263-I300 HydrophobicContact CD1-CG2 3.77Å; R264-I300 HydrophobicContact CG-CD1 3.71Å; L287-I300 CarbonylContact O-C 3.59Å; L287-I300 WeakPolarHBondContact O-CA 3.4Å; Y288-I300 HydrophobicContact CD2-CD1 4.24Å; Y288-I300 HydrophobicContact CD2-CG1 3.75Å |
| 301 | K | 88.1 | Confident | 74.5 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 36% | 0.357 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.3 | 177.7 | -72.2 | -168 | 177.7 | -172.4 | 0 | 110.5 | S286 L287 M299 Y303 A341 | S286-K301 CarbonylContact C-O 3.52Å; S286-K301 WeakPolarHBondContact CA-O 3.11Å; L287-K301 PolarHBondContact N-O 3.48Å; L287-K301 PolarHBondContact O-N 3.1Å; M299-K301 HydrophobicContact CE-CD 3.93Å; M299-K301 HydrophobicContact CE-CG 3.68Å; K301-Y303 HydrophobicContact CB-CD2 4.4Å; K301-Y303 HydrophobicContact CB-CE2 3.57Å; K301-Y303 WeakPolarHBondContact CD-OH 3.4Å; K301-A341 HydrophobicContact CD-CB 3.67Å |
| 302 | H | 87.9 | Confident | 75.1 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 16% | 0.162 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.1 | 179.1 | -59 | -88.4 | 0 | 0 | 0 | 109.4 | R256 E260 R275 T284 V285 S286 | R256-H302 PolarHBondContact NE-NE2 2.81Å; R256-H302 PolarHBondContact NH2-CD2 2.78Å; E260-H302 IonicContact OE1-CD2 2.69Å; E260-H302 IonicContact OE1-CE1 3.85Å; E260-H302 IonicContact OE1-NE2 3.48Å; E260-H302 PolarHBondContact OE1-NE2 3.37Å; R275-H302 PolarHBondContact NH2-ND1 3.22Å; T284-H302 HydrophobicContact CG2-CB 4.02Å; V285-H302 CarbonylContact O-C 3.56Å; V285-H302 WeakPolarHBondContact O-CA 3.48Å; S286-H302 PolarHBondContact OG-ND1 3.39Å; S286-H302 VanDerWaalsContact OG-ND1 3.1Å |
| 303 | Y | 88.4 | Confident | 76.3 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 16% | 0.157 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.1 | -179.4 | -56 | -94.6 | 0 | 0 | 0 | 110.2 | T284 V285 L287 K301 L340 A341 | T284-Y303 CarbonylContact C-O 3.58Å; T284-Y303 WeakPolarHBondContact CA-O 3.41Å; V285-Y303 PolarHBondContact N-O 2.78Å; V285-Y303 PolarHBondContact O-N 2.64Å; L287-Y303 HydrophobicContact CB-CD2 4.45Å; L287-Y303 HydrophobicContact CB-CE2 4.02Å; L287-Y303 HydrophobicContact CD2-CE2 3.89Å; K301-Y303 HydrophobicContact CB-CD2 4.4Å; K301-Y303 HydrophobicContact CB-CE2 3.57Å; K301-Y303 WeakPolarHBondContact CD-OH 3.4Å; Y303-L340 HydrophobicContact CD1-CD2 3.59Å; Y303-L340 HydrophobicContact CD2-CD2 4Å; Y303-L340 HydrophobicContact CE1-CD2 3.62Å; Y303-L340 HydrophobicContact CE2-CD2 4.03Å; Y303-L340 HydrophobicContact CG-CD2 3.78Å; Y303-A341 VanDerWaalsContact OH-CB 3.29Å; Y303-A341 WeakPolarHBondContact OH-CB 3.18Å; Y303-A341 PolarHBondContact OH-N 3.28Å |
| 304 | H | 88.3 | Confident | 78.1 | Confident | 100 Ų | 100 | 86.6 Ų | 86.6 | 46% | 0.463 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.6 | 176.4 | -64.3 | 90.9 | 0 | 0 | 0 | 110.5 | S277 T284 K306 | S277-H304 PolarHBondContact OG-CD2 2.99Å; T284-H304 PolarHBondContact OG1-CD2 2.79Å; H304-K306 PolarHBondContact O-N 3.34Å |
| 305 | I | 89.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 85.5 Ų | 85.5 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 113.2 | 169.4 | -63.2 | 168.2 | 0 | 0 | 0 | 107.1 | V274 Y283 V285 F315 L317 I326 L329 | V274-I305 HydrophobicContact CG1-CD1 3.98Å; Y283-I305 WeakPolarHBondContact O-CB 3.4Å; Y283-I305 PolarHBondContact O-N 2.85Å; V285-I305 HydrophobicContact CG2-CD1 3.78Å; V285-I305 HydrophobicContact CG2-CG1 3.93Å; I305-F315 HydrophobicContact CG2-CB 4.12Å; I305-F315 HydrophobicContact CG2-CD1 4.02Å; I305-L317 HydrophobicContact CB-CD2 4.45Å; I305-L317 HydrophobicContact CG1-CD2 3.61Å; I305-L317 HydrophobicContact CG1-CG 4.35Å; I305-I326 HydrophobicContact CD1-CG2 3.92Å; I305-I326 HydrophobicContact CG2-CD1 4.42Å; I305-I326 HydrophobicContact CG2-CG1 4.23Å; I305-L329 HydrophobicContact CG2-CD1 4.1Å |
| 306 | K | 86.9 | Confident | 81.8 | Confident | 102 Ų | 102 | 76.9 Ų | 76.9 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 149.8 | -179.6 | -65 | -175.8 | -178 | -178.9 | 0 | 110.8 | H304 F315 Y316 | H304-K306 PolarHBondContact O-N 3.34Å; K306-F315 CarbonylContact O-C 3.53Å; K306-F315 WeakPolarHBondContact O-CA 3.28Å; K306-Y316 HydrophobicContact CB-CD1 4.1Å; K306-Y316 HydrophobicContact CB-CD2 4.21Å; K306-Y316 HydrophobicContact CB-CE1 3.58Å; K306-Y316 HydrophobicContact CB-CE2 3.72Å; K306-Y316 HydrophobicContact CB-CG 4.39Å; K306-Y316 HydrophobicContact CD-CE2 3.69Å; K306-Y316 WeakPolarHBondContact CD-OH 3.42Å; K306-Y316 HydrophobicContact CG-CE2 4.25Å; K306-Y316 PolarHBondContact N-O 2.91Å; K306-Y316 WeakPolarHBondContact O-CD1 3.09Å; K306-Y316 PolarHBondContact O-N 3.39Å |
| 307 | E | 87.6 | Confident | 83.2 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.6 | 174.8 | -66.6 | -174.6 | -164.3 | 0 | 0 | 111.3 | R313 K314 F315 | E307-R313 IonicContact OE2-NH1 3.45Å; E307-R313 PolarHBondContact OE2-NH1 3.11Å; E307-K314 CarbonylContact C-O 3.57Å; E307-K314 WeakPolarHBondContact CA-O 3.3Å; E307-F315 HydrophobicContact CG-CD1 3.69Å; E307-F315 HydrophobicContact CG-CE1 3.59Å; E307-F315 VanDerWaalsContact OE1-CE1 3.28Å; E307-F315 WeakPolarHBondContact OE1-CE1 3.28Å |
| 308 | T | 83.9 | Confident | 83.8 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | trans | -77.2 | 145.5 | 171.3 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | S310 K314 Y316 L322 | T308-S310 WeakPolarHBondContact CB-OG 3.18Å; T308-S310 PolarHBondContact O-N 3.26Å; T308-S310 PolarHBondContact OG1-OG 3.16Å; T308-S310 VanDerWaalsContact OG1-OG 3.06Å; T308-K314 HydrophobicContact CG2-CB 4.12Å; T308-K314 PolarHBondContact N-O 2.72Å; T308-K314 PolarHBondContact OG1-N 3.35Å; T308-K314 PolarHBondContact OG1-O 2.92Å; T308-Y316 HydrophobicContact CG2-CD1 4.18Å; T308-Y316 HydrophobicContact CG2-CE1 4.09Å; T308-L322 HydrophobicContact CG2-CD1 4.26Å; T308-L322 HydrophobicContact CG2-CD2 3.47Å; T308-L322 VanDerWaalsContact CG2-CD2 3.47Å; T308-L322 HydrophobicContact CG2-CG 4.48Å | ||
| 309 | R | 83.3 | Confident | 83.8 | Confident | 261 Ų | 261 | 78.4 Ų | 78.4 | 99% | 0.985 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -73.7 | -4.4 | 173.5 | -61.7 | -175.7 | -179.2 | -173.9 | -0.3 | 114.5 | ||
| 310 | S | 77.4 | Confident | 83.3 | Confident | 62 Ų | 62 | 83.1 Ų | 83.1 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -76.2 | 156.2 | 179 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | T308 P312 R313 | T308-S310 WeakPolarHBondContact CB-OG 3.18Å; T308-S310 PolarHBondContact O-N 3.26Å; T308-S310 PolarHBondContact OG1-OG 3.16Å; T308-S310 VanDerWaalsContact OG1-OG 3.06Å; S310-P312 CarbonylContact C-O 3.59Å; S310-P312 CarbonylContact O-C 3.53Å; S310-P312 VanDerWaalsContact O-O 3.04Å; S310-R313 WeakPolarHBondContact O-CA 3.45Å; S310-R313 PolarHBondContact O-N 3.08Å |
| 311 | T | 76.1 | Confident | 83 | Confident | 137 Ų | 137 | 85.4 Ų | 85.4 | 84% | 0.84 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -109.1 | 123 | 170.5 | 43.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 312 | P | 78.8 | Confident | 83 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | S | Bend | cis | -69.4 | 153.5 | -1 | 30.2 | -34.9 | 0 | 0 | 0 | 113 | S310 | S310-P312 CarbonylContact C-O 3.59Å; S310-P312 CarbonylContact O-C 3.53Å; S310-P312 VanDerWaalsContact O-O 3.04Å |
| 313 | R | 83.4 | Confident | 83 | Confident | 168 Ų | 168 | 85 Ų | 85 | 63% | 0.634 | 40% | 0.404 | S | S | * | . | trans | -65 | 140.6 | 177.6 | -63.2 | -175.7 | -171.9 | -177.5 | 5.4 | 109.7 | E307 S310 | E307-R313 IonicContact OE2-NH1 3.45Å; E307-R313 PolarHBondContact OE2-NH1 3.11Å; S310-R313 WeakPolarHBondContact O-CA 3.45Å; S310-R313 PolarHBondContact O-N 3.08Å | ||
| 314 | K | 86.9 | Confident | 82.9 | Confident | 84 Ų | 84 | 86.6 Ų | 86.6 | 37% | 0.365 | 42% | 0.421 | S | S | . | . | trans | -127 | 149.1 | 174.2 | -63 | -170 | 179.5 | -172.9 | 0 | 110.7 | E307 T308 L322 F323 | E307-K314 CarbonylContact C-O 3.57Å; E307-K314 WeakPolarHBondContact CA-O 3.3Å; T308-K314 HydrophobicContact CG2-CB 4.12Å; T308-K314 PolarHBondContact N-O 2.72Å; T308-K314 PolarHBondContact OG1-N 3.35Å; T308-K314 PolarHBondContact OG1-O 2.92Å; K314-L322 HydrophobicContact CB-CB 4.09Å; K314-L322 HydrophobicContact CD-CB 3.81Å; K314-L322 HydrophobicContact CD-CD1 4.38Å; K314-F323 CarbonylContact C-O 3.45Å; K314-F323 WeakPolarHBondContact CA-O 3.46Å; K314-F323 VanDerWaalsContact CB-O 3.27Å; K314-F323 WeakPolarHBondContact CB-O 3.03Å | ||
| 315 | F | 88.6 | Confident | 82.8 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 15% | 0.145 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 146 | -176.7 | -58.8 | -89.7 | 0 | 0 | 0 | 111 | I305 K306 E307 F323 I326 L329 | I305-F315 HydrophobicContact CG2-CB 4.12Å; I305-F315 HydrophobicContact CG2-CD1 4.02Å; K306-F315 CarbonylContact O-C 3.53Å; K306-F315 WeakPolarHBondContact O-CA 3.28Å; E307-F315 HydrophobicContact CG-CD1 3.69Å; E307-F315 HydrophobicContact CG-CE1 3.59Å; E307-F315 VanDerWaalsContact OE1-CE1 3.28Å; E307-F315 WeakPolarHBondContact OE1-CE1 3.28Å; F315-F323 PolarHBondContact N-O 3.13Å; F315-F323 WeakPolarHBondContact O-CD2 3.45Å; F315-F323 PolarHBondContact O-N 3.44Å; F315-I326 HydrophobicContact CB-CG1 4.33Å; F315-I326 HydrophobicContact CD1-CD1 4Å; F315-I326 HydrophobicContact CD1-CG1 3.68Å; F315-I326 HydrophobicContact CD2-CG1 4.35Å; F315-I326 HydrophobicContact CE1-CD1 3.97Å; F315-I326 HydrophobicContact CE1-CG1 4.02Å; F315-I326 HydrophobicContact CG-CG1 3.86Å; F315-L329 HydrophobicContact CB-CD1 3.99Å |
| 316 | Y | 88.1 | Confident | 82.8 | Confident | 33 Ų | 33 | 83.5 Ų | 83.5 | 13% | 0.129 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 151 | 175.4 | 66.6 | -83.1 | 0 | 0 | 0 | 113.7 | K306 T308 E319 H321 L322 | K306-Y316 HydrophobicContact CB-CD1 4.1Å; K306-Y316 HydrophobicContact CB-CD2 4.21Å; K306-Y316 HydrophobicContact CB-CE1 3.58Å; K306-Y316 HydrophobicContact CB-CE2 3.72Å; K306-Y316 HydrophobicContact CB-CG 4.39Å; K306-Y316 HydrophobicContact CD-CE2 3.69Å; K306-Y316 WeakPolarHBondContact CD-OH 3.42Å; K306-Y316 HydrophobicContact CG-CE2 4.25Å; K306-Y316 PolarHBondContact N-O 2.91Å; K306-Y316 WeakPolarHBondContact O-CD1 3.09Å; K306-Y316 PolarHBondContact O-N 3.39Å; T308-Y316 HydrophobicContact CG2-CD1 4.18Å; T308-Y316 HydrophobicContact CG2-CE1 4.09Å; Y316-E319 HydrophobicContact CD2-CG 4.18Å; Y316-E319 HydrophobicContact CE2-CB 4.23Å; Y316-E319 HydrophobicContact CE2-CG 3.47Å; Y316-E319 VanDerWaalsContact CE2-CG 3.47Å; Y316-H321 WeakPolarHBondContact CB-O 3.45Å; Y316-L322 HydrophobicContact CD1-CD2 3.54Å; Y316-L322 HydrophobicContact CE1-CD2 4.29Å; Y316-L322 HydrophobicContact CG-CD2 3.91Å |
| 317 | L | 84.6 | Confident | 82.9 | Confident | 22 Ų | 22 | 80.1 Ų | 80.1 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -98.2 | -32.8 | 167 | -71.3 | 171.2 | 0 | 0 | 0 | 111.9 | V285 I305 L329 L340 | V285-L317 HydrophobicContact CB-CD2 4.37Å; V285-L317 HydrophobicContact CG2-CD1 4.04Å; V285-L317 HydrophobicContact CG2-CD2 3.88Å; I305-L317 HydrophobicContact CB-CD2 4.45Å; I305-L317 HydrophobicContact CG1-CD2 3.61Å; I305-L317 HydrophobicContact CG1-CG 4.35Å; L317-L329 HydrophobicContact CD1-CD2 3.62Å; L317-L329 HydrophobicContact CG-CD1 4.25Å; L317-L329 HydrophobicContact CG-CD2 3.88Å; L317-L329 HydrophobicContact CG-CG 4.44Å; L317-L340 HydrophobicContact CB-CD2 4.29Å; L317-L340 HydrophobicContact CD1-CD1 3.99Å; L317-L340 HydrophobicContact CD1-CD2 4.14Å |
| 318 | A | 74.8 | Confident | 82.9 | Confident | 28 Ų | 28 | 80.9 Ų | 80.9 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -128 | 131.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K320 H321 | A318-K320 PolarHBondContact O-N 3.02Å; A318-H321 PolarHBondContact O-N 3.31Å |
| 319 | E | 65.3 | Low | 83.3 | Confident | 146 Ų | 146 | 79.6 Ų | 79.6 | 68% | 0.682 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -18.8 | -169.5 | -72.3 | 176.7 | -175.9 | 0 | 0 | 115 | Y316 | Y316-E319 HydrophobicContact CD2-CG 4.18Å; Y316-E319 HydrophobicContact CE2-CB 4.23Å; Y316-E319 HydrophobicContact CE2-CG 3.47Å; Y316-E319 VanDerWaalsContact CE2-CG 3.47Å |
| 320 | K | 72.7 | Confident | 83.7 | Confident | 191 Ų | 191 | 67.4 Ų | 67.4 | 83% | 0.83 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.2 | -179 | -66 | -176.5 | 178 | -179.2 | 0 | 114.6 | A318 | A318-K320 PolarHBondContact O-N 3.02Š|
| 321 | H | 81.5 | Confident | 84.3 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 30% | 0.296 | 36% | 0.356 | S | S | . | . | trans | -133 | 112.2 | -176 | -60.1 | -67.3 | 0 | 0 | 0 | 111.7 | Y316 A318 F323 Y332 | Y316-H321 WeakPolarHBondContact CB-O 3.45Å; A318-H321 PolarHBondContact O-N 3.31Å; H321-F323 HydrophobicContact CB-CE2 3.76Å; H321-F323 HydrophobicContact CB-CZ 3.73Å; H321-F323 WeakPolarHBondContact O-CE2 3.07Å; H321-Y332 HydrophobicContact CB-CE1 4.4Å; H321-Y332 AromaticContact CE1-CZ 3.99Å; H321-Y332 PolarHBondContact CE1-OH 3.26Å; H321-Y332 AromaticContact CG-CE1 3.98Å; H321-Y332 AromaticContact ND1-CZ 3.93Å; H321-Y332 PolarHBondContact ND1-OH 3.1Å; H321-Y332 PolarHBondContact NE2-OH 3.3Å | ||
| 322 | L | 87.9 | Confident | 85 | Confident | 82 Ų | 82 | 67 Ų | 67 | 43% | 0.429 | 33% | 0.329 | S | S | . | . | trans | -109.3 | 127 | -176.6 | -62 | 174.9 | 0 | 0 | 0 | 110.7 | T308 K314 Y316 | T308-L322 HydrophobicContact CG2-CD1 4.26Å; T308-L322 HydrophobicContact CG2-CD2 3.47Å; T308-L322 VanDerWaalsContact CG2-CD2 3.47Å; T308-L322 HydrophobicContact CG2-CG 4.48Å; K314-L322 HydrophobicContact CB-CB 4.09Å; K314-L322 HydrophobicContact CD-CB 3.81Å; K314-L322 HydrophobicContact CD-CD1 4.38Å; Y316-L322 HydrophobicContact CD1-CD2 3.54Å; Y316-L322 HydrophobicContact CE1-CD2 4.29Å; Y316-L322 HydrophobicContact CG-CD2 3.91Å | ||
| 323 | F | 88.5 | Confident | 85.6 | Confident | 26 Ų | 26 | 62 Ų | 62 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -115.5 | 154.1 | -177 | -55.8 | -79.7 | 0 | 0 | 0 | 111.7 | K314 F315 H321 E328 L329 Y332 | K314-F323 CarbonylContact C-O 3.45Å; K314-F323 WeakPolarHBondContact CA-O 3.46Å; K314-F323 VanDerWaalsContact CB-O 3.27Å; K314-F323 WeakPolarHBondContact CB-O 3.03Å; F315-F323 PolarHBondContact N-O 3.13Å; F315-F323 WeakPolarHBondContact O-CD2 3.45Å; F315-F323 PolarHBondContact O-N 3.44Å; H321-F323 HydrophobicContact CB-CE2 3.76Å; H321-F323 HydrophobicContact CB-CZ 3.73Å; H321-F323 WeakPolarHBondContact O-CE2 3.07Å; F323-E328 HydrophobicContact CB-CB 4.22Å; F323-E328 HydrophobicContact CD1-CB 4.32Å; F323-L329 HydrophobicContact CB-CB 3.94Å; F323-L329 HydrophobicContact CD2-CB 3.44Å; F323-L329 VanDerWaalsContact CD2-CB 3.44Å; F323-L329 HydrophobicContact CD2-CD1 4Å; F323-L329 HydrophobicContact CD2-CG 3.67Å; F323-L329 HydrophobicContact CE2-CB 4.11Å; F323-L329 HydrophobicContact CE2-CG 4.03Å; F323-L329 HydrophobicContact CG-CB 3.71Å; F323-L329 HydrophobicContact CG-CG 4.44Å; F323-Y332 VanDerWaalsContact CE1-CB 3.41Å; F323-Y332 HydrophobicContact CE1-CD1 4.05Å; F323-Y332 HydrophobicContact CE1-CD2 4.05Å; F323-Y332 AromaticContact CE1-CG 3.57Å; F323-Y332 HydrophobicContact CE1-CG 3.57Å; F323-Y332 HydrophobicContact CE2-CD1 4.3Å; F323-Y332 AromaticContact CZ-CD1 3.37Å; F323-Y332 HydrophobicContact CZ-CD1 3.37Å; F323-Y332 HydrophobicContact CZ-CD2 4.15Å; F323-Y332 HydrophobicContact CZ-CE1 4.03Å; F323-Y332 AromaticContact CZ-CG 3.41Å; F323-Y332 HydrophobicContact CZ-CG 3.41Å; F323-Y332 VanDerWaalsContact CZ-CG 3.41Å |
| 324 | S | 85.9 | Confident | 85.9 | Confident | 74 Ų | 74 | 55.7 Ų | 55.7 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -81 | -22 | 179.4 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | E328 | S324-E328 WeakPolarHBondContact CB-OE2 3.39Å; S324-E328 PolarHBondContact N-OE2 3.32Å; S324-E328 PolarHBondContact OG-OE1 3.01Å; S324-E328 PolarHBondContact OG-OE2 3.48Å |
| 325 | S | 86.8 | Confident | 85.9 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -143.8 | 159.1 | 177.2 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | E328 L329 | S325-E328 PolarHBondContact O-N 3.49Å; S325-E328 WeakPolarHBondContact OG-CG 3.48Å; S325-E328 PolarHBondContact OG-N 2.92Å; S325-L329 PolarHBondContact O-N 2.97Å |
| 326 | I | 88.7 | Confident | 85.8 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 175.2 | -64.3 | 169.2 | 0 | 0 | 0 | 111.9 | L244 W249 Y283 I305 F315 E328 L329 I330 | L244-I326 HydrophobicContact CD1-CB 4.27Å; L244-I326 HydrophobicContact CD1-CD1 3.77Å; L244-I326 HydrophobicContact CD1-CG2 4.01Å; L244-I326 HydrophobicContact CD2-CB 4.01Å; L244-I326 HydrophobicContact CD2-CG2 4.22Å; W249-I326 HydrophobicContact CH2-CG2 3.89Å; W249-I326 HydrophobicContact CZ3-CG2 4.11Å; Y283-I326 HydrophobicContact CD2-CD1 3.2Å; Y283-I326 HydrophobicContact CE2-CD1 3.46Å; Y283-I326 VanDerWaalsContact CE2-CD1 3.46Å; Y283-I326 HydrophobicContact CG-CD1 3.95Å; I305-I326 HydrophobicContact CD1-CG2 3.92Å; I305-I326 HydrophobicContact CG2-CD1 4.42Å; I305-I326 HydrophobicContact CG2-CG1 4.23Å; F315-I326 HydrophobicContact CB-CG1 4.33Å; F315-I326 HydrophobicContact CD1-CD1 4Å; F315-I326 HydrophobicContact CD1-CG1 3.68Å; F315-I326 HydrophobicContact CD2-CG1 4.35Å; F315-I326 HydrophobicContact CE1-CD1 3.97Å; F315-I326 HydrophobicContact CE1-CG1 4.02Å; F315-I326 HydrophobicContact CG-CG1 3.86Å; I326-E328 PolarHBondContact O-N 2.9Å; I326-L329 WeakPolarHBondContact O-CB 3.39Å; I326-L329 PolarHBondContact O-N 2.89Å; I326-L329 VanDerWaalsContact O-N 3.16Å; I326-I330 HydrophobicContact CG2-CG1 4.21Å; I326-I330 WeakPolarHBondContact O-CG1 3.36Å; I326-I330 PolarHBondContact O-N 2.89Å |
| 327 | P | 89.5 | Confident | 85.4 | Confident | 30 Ų | 30 | 58 Ų | 58 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57 | -44 | 173.9 | -28.7 | 37.8 | 0 | 0 | 0 | 113.7 | L244 F247 W249 L329 I330 E331 | L244-P327 HydrophobicContact CD2-CG 4.04Å; F247-P327 HydrophobicContact CD2-CG 4.16Å; F247-P327 HydrophobicContact CE1-CB 4.09Å; F247-P327 HydrophobicContact CE1-CG 4.26Å; F247-P327 HydrophobicContact CE2-CB 4.08Å; F247-P327 HydrophobicContact CE2-CG 3.34Å; F247-P327 HydrophobicContact CZ-CB 3.64Å; F247-P327 HydrophobicContact CZ-CG 3.4Å; F247-P327 VanDerWaalsContact CZ-CG 3.4Å; W249-P327 HydrophobicContact CH2-CG 4.38Å; W249-P327 HydrophobicContact CZ2-CB 4.29Å; W249-P327 HydrophobicContact CZ2-CG 4.31Å; P327-L329 VanDerWaalsContact C-N 3.31Å; P327-L329 PolarHBondContact O-N 2.99Å; P327-I330 PolarHBondContact O-N 3.47Å; P327-E331 WeakPolarHBondContact O-CB 3.37Å; P327-E331 PolarHBondContact O-N 3.43Å |
| 328 | E | 88.4 | Confident | 85.3 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 174.9 | -74.7 | 174.4 | -175.1 | 0 | 0 | 112.2 | F323 S324 S325 I326 E331 Y332 | F323-E328 HydrophobicContact CB-CB 4.22Å; F323-E328 HydrophobicContact CD1-CB 4.32Å; S324-E328 WeakPolarHBondContact CB-OE2 3.39Å; S324-E328 PolarHBondContact N-OE2 3.32Å; S324-E328 PolarHBondContact OG-OE1 3.01Å; S324-E328 PolarHBondContact OG-OE2 3.48Å; S325-E328 PolarHBondContact O-N 3.49Å; S325-E328 WeakPolarHBondContact OG-CG 3.48Å; S325-E328 PolarHBondContact OG-N 2.92Å; I326-E328 PolarHBondContact O-N 2.9Å; E328-E331 PolarHBondContact O-N 3.31Å; E328-Y332 WeakPolarHBondContact O-CB 3.49Å; E328-Y332 PolarHBondContact O-N 3.49Å |
| 329 | L | 91.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 175.9 | 174.7 | 164.2 | 0 | 0 | 0 | 111.1 | I305 F315 L317 F323 S325 I326 P327 Y332 H333 | I305-L329 HydrophobicContact CG2-CD1 4.1Å; F315-L329 HydrophobicContact CB-CD1 3.99Å; L317-L329 HydrophobicContact CD1-CD2 3.62Å; L317-L329 HydrophobicContact CG-CD1 4.25Å; L317-L329 HydrophobicContact CG-CD2 3.88Å; L317-L329 HydrophobicContact CG-CG 4.44Å; F323-L329 HydrophobicContact CB-CB 3.94Å; F323-L329 HydrophobicContact CD2-CB 3.44Å; F323-L329 VanDerWaalsContact CD2-CB 3.44Å; F323-L329 HydrophobicContact CD2-CD1 4Å; F323-L329 HydrophobicContact CD2-CG 3.67Å; F323-L329 HydrophobicContact CE2-CB 4.11Å; F323-L329 HydrophobicContact CE2-CG 4.03Å; F323-L329 HydrophobicContact CG-CB 3.71Å; F323-L329 HydrophobicContact CG-CG 4.44Å; S325-L329 PolarHBondContact O-N 2.97Å; I326-L329 WeakPolarHBondContact O-CB 3.39Å; I326-L329 PolarHBondContact O-N 2.89Å; I326-L329 VanDerWaalsContact O-N 3.16Å; P327-L329 VanDerWaalsContact C-N 3.31Å; P327-L329 PolarHBondContact O-N 2.99Å; L329-Y332 PolarHBondContact O-N 2.79Å; L329-H333 PolarHBondContact O-CD2 3.48Å; L329-H333 VanDerWaalsContact O-CD2 3.27Å; L329-H333 PolarHBondContact O-N 3.47Å |
| 330 | I | 91.9 | Very high | 86.5 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 179 | -63.9 | -60.8 | 0 | 0 | 0 | 110.6 | W249 F272 V274 V285 I326 P327 Y332 H333 S334 L344 | W249-I330 HydrophobicContact CD2-CG1 4.33Å; W249-I330 HydrophobicContact CD2-CG2 4.09Å; W249-I330 HydrophobicContact CE3-CG1 4.19Å; W249-I330 HydrophobicContact CG-CG2 4.26Å; W249-I330 HydrophobicContact CH2-CB 4.45Å; W249-I330 HydrophobicContact CH2-CG1 3.82Å; W249-I330 HydrophobicContact CZ2-CB 4.12Å; W249-I330 HydrophobicContact CZ2-CG1 3.99Å; W249-I330 HydrophobicContact CZ2-CG2 4.32Å; W249-I330 HydrophobicContact CZ3-CG1 3.93Å; F272-I330 HydrophobicContact CE2-CD1 4.45Å; F272-I330 HydrophobicContact CE2-CG2 3.74Å; F272-I330 HydrophobicContact CZ-CG2 3.91Å; V274-I330 HydrophobicContact CG2-CD1 3.61Å; V274-I330 HydrophobicContact CG2-CG1 4.21Å; V285-I330 HydrophobicContact CG2-CD1 4.09Å; I326-I330 HydrophobicContact CG2-CG1 4.21Å; I326-I330 WeakPolarHBondContact O-CG1 3.36Å; I326-I330 PolarHBondContact O-N 2.89Å; P327-I330 PolarHBondContact O-N 3.47Å; I330-Y332 PolarHBondContact O-N 3.2Å; I330-H333 PolarHBondContact O-N 3.48Å; I330-S334 PolarHBondContact O-N 3.25Å; I330-L344 HydrophobicContact CD1-CD1 3.74Å; I330-L344 HydrophobicContact CG2-CD1 4.27Å |
| 331 | E | 89.9 | Confident | 87 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 176.2 | -176 | 172 | -166.8 | 0 | 0 | 112.3 | P327 E328 S334 H335 | P327-E331 WeakPolarHBondContact O-CB 3.37Å; P327-E331 PolarHBondContact O-N 3.43Å; E328-E331 PolarHBondContact O-N 3.31Å; E331-S334 PolarHBondContact O-N 3.15Å; E331-S334 PolarHBondContact O-OG 2.92Å; E331-H335 PolarHBondContact O-N 2.99Å; E331-H335 PolarHBondContact O-ND1 3.21Å |
| 332 | Y | 90.6 | Very high | 87.4 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 26% | 0.263 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 174.7 | 177.2 | -95.2 | 0 | 0 | 0 | 111.9 | H321 F323 E328 L329 I330 S334 H335 N336 A338 | H321-Y332 HydrophobicContact CB-CE1 4.4Å; H321-Y332 AromaticContact CE1-CZ 3.99Å; H321-Y332 PolarHBondContact CE1-OH 3.26Å; H321-Y332 AromaticContact CG-CE1 3.98Å; H321-Y332 AromaticContact ND1-CZ 3.93Å; H321-Y332 PolarHBondContact ND1-OH 3.1Å; H321-Y332 PolarHBondContact NE2-OH 3.3Å; F323-Y332 VanDerWaalsContact CE1-CB 3.41Å; F323-Y332 HydrophobicContact CE1-CD1 4.05Å; F323-Y332 HydrophobicContact CE1-CD2 4.05Å; F323-Y332 AromaticContact CE1-CG 3.57Å; F323-Y332 HydrophobicContact CE1-CG 3.57Å; F323-Y332 HydrophobicContact CE2-CD1 4.3Å; F323-Y332 AromaticContact CZ-CD1 3.37Å; F323-Y332 HydrophobicContact CZ-CD1 3.37Å; F323-Y332 HydrophobicContact CZ-CD2 4.15Å; F323-Y332 HydrophobicContact CZ-CE1 4.03Å; F323-Y332 AromaticContact CZ-CG 3.41Å; F323-Y332 HydrophobicContact CZ-CG 3.41Å; F323-Y332 VanDerWaalsContact CZ-CG 3.41Å; E328-Y332 WeakPolarHBondContact O-CB 3.49Å; E328-Y332 PolarHBondContact O-N 3.49Å; L329-Y332 PolarHBondContact O-N 2.79Å; I330-Y332 PolarHBondContact O-N 3.2Å; Y332-S334 VanDerWaalsContact C-N 3.3Å; Y332-S334 PolarHBondContact O-N 3.34Å; Y332-H335 PolarHBondContact O-N 2.96Å; Y332-H335 VanDerWaalsContact O-N 3.17Å; Y332-N336 HydrophobicContact CD1-CB 4.36Å; Y332-N336 HydrophobicContact CE1-CB 3.96Å; Y332-N336 HydrophobicContact CE2-CB 4.42Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 3.2Å; Y332-N336 PolarHBondContact O-ND2 2.79Å; Y332-A338 HydrophobicContact CE1-CB 3.62Å |
| 333 | H | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -77.4 | -12.6 | -177.4 | -78.7 | -70.9 | 0 | 0 | 0 | 114.3 | L329 I330 H335 N336 L340 L344 | L329-H333 PolarHBondContact O-CD2 3.48Å; L329-H333 VanDerWaalsContact O-CD2 3.27Å; L329-H333 PolarHBondContact O-N 3.47Å; I330-H333 PolarHBondContact O-N 3.48Å; H333-H335 VanDerWaalsContact C-N 3.34Å; H333-N336 CarbonylContact C-O 3.55Å; H333-N336 VanDerWaalsContact CA-O 3.3Å; H333-N336 WeakPolarHBondContact CA-O 3.36Å; H333-N336 PolarHBondContact ND1-O 3.38Å; H333-L340 HydrophobicContact CB-CD1 3.95Å; H333-L340 WeakPolarHBondContact ND1-CD1 3.41Å; H333-L344 HydrophobicContact CB-CD1 3.64Å; H333-L344 HydrophobicContact CB-CG 3.91Å; H333-L344 PolarHBondContact O-N 2.77Å |
| 334 | S | 90.4 | Very high | 87.7 | Confident | 34 Ų | 34 | 45 Ų | 45 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.2 | -31.5 | 166.5 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | I330 E331 Y332 R343 L344 | I330-S334 PolarHBondContact O-N 3.25Å; E331-S334 PolarHBondContact O-N 3.15Å; E331-S334 PolarHBondContact O-OG 2.92Å; Y332-S334 VanDerWaalsContact C-N 3.3Å; Y332-S334 PolarHBondContact O-N 3.34Å; S334-R343 PolarHBondContact O-NE 2.78Å; S334-R343 PolarHBondContact O-NH2 3.44Å; S334-L344 WeakPolarHBondContact CA-O 3.35Å; S334-L344 WeakPolarHBondContact CB-O 3.29Å |
| 335 | H | 87.5 | Confident | 87.9 | Confident | 110 Ų | 110 | 46.8 Ų | 46.8 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -87.9 | -28.1 | 176.2 | -64.1 | 91.8 | 0 | 0 | 0 | 113.3 | E331 Y332 H333 R343 | E331-H335 PolarHBondContact O-N 2.99Å; E331-H335 PolarHBondContact O-ND1 3.21Å; Y332-H335 PolarHBondContact O-N 2.96Å; Y332-H335 VanDerWaalsContact O-N 3.17Å; H333-H335 VanDerWaalsContact C-N 3.34Å; H335-R343 VanDerWaalsContact CA-NH2 3.34Å; H335-R343 PolarHBondContact O-NE 2.81Å; H335-R343 VanDerWaalsContact O-NE 3.07Å; H335-R343 PolarHBondContact O-NH1 3.39Å; H335-R343 PolarHBondContact O-NH2 2.95Å |
| 336 | N | 86.7 | Confident | 88.1 | Confident | 67 Ų | 67 | 50 Ų | 50 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -135.4 | 131.6 | -169.7 | -55.4 | -79.4 | 0 | 0 | 0 | 112.6 | Y332 H333 A338 | Y332-N336 HydrophobicContact CD1-CB 4.36Å; Y332-N336 HydrophobicContact CE1-CB 3.96Å; Y332-N336 HydrophobicContact CE2-CB 4.42Å; Y332-N336 WeakPolarHBondContact O-CB 3.48Å; Y332-N336 PolarHBondContact O-N 3.2Å; Y332-N336 PolarHBondContact O-ND2 2.79Å; H333-N336 CarbonylContact C-O 3.55Å; H333-N336 VanDerWaalsContact CA-O 3.3Å; H333-N336 WeakPolarHBondContact CA-O 3.36Å; H333-N336 PolarHBondContact ND1-O 3.38Å; N336-A338 HydrophobicContact CB-CB 4.25Å | ||
| 337 | G | 78.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | -66.3 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | G339 L340 | G337-G339 PolarHBondContact O-N 2.9Å; G337-L340 WeakPolarHBondContact O-CB 3.29Å; G337-L340 PolarHBondContact O-N 3.39Å | ||
| 338 | A | 82.3 | Confident | 87.8 | Confident | 33 Ų | 33 | 51.7 Ų | 51.7 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | 38.7 | 169 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y332 N336 | Y332-A338 HydrophobicContact CE1-CB 3.62Å; N336-A338 HydrophobicContact CB-CB 4.25Å |
| 339 | G | 78.8 | Confident | 86.8 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 73% | 0.732 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | -10.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G337 | G337-G339 PolarHBondContact O-N 2.9Š|
| 340 | L | 85.9 | Confident | 85.1 | Confident | 18 Ų | 18 | 52.4 Ų | 52.4 | 9% | 0.094 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -76.5 | 152.7 | 168.7 | -56.7 | -179.3 | 0 | 0 | 0 | 110.8 | L287 Y303 L317 H333 G337 A342 L344 | L287-L340 HydrophobicContact CD2-CB 4.29Å; Y303-L340 HydrophobicContact CD1-CD2 3.59Å; Y303-L340 HydrophobicContact CD2-CD2 4Å; Y303-L340 HydrophobicContact CE1-CD2 3.62Å; Y303-L340 HydrophobicContact CE2-CD2 4.03Å; Y303-L340 HydrophobicContact CG-CD2 3.78Å; L317-L340 HydrophobicContact CB-CD2 4.29Å; L317-L340 HydrophobicContact CD1-CD1 3.99Å; L317-L340 HydrophobicContact CD1-CD2 4.14Å; H333-L340 HydrophobicContact CB-CD1 3.95Å; H333-L340 WeakPolarHBondContact ND1-CD1 3.41Å; G337-L340 WeakPolarHBondContact O-CB 3.29Å; G337-L340 PolarHBondContact O-N 3.39Å; L340-A342 WeakPolarHBondContact CB-O 3.37Å; L340-A342 PolarHBondContact O-N 2.8Å; L340-L344 HydrophobicContact CD1-CD2 4.08Å; L340-L344 HydrophobicContact CD1-CG 4.24Å |
| 341 | A | 85.1 | Confident | 83.2 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -63.6 | -22.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T289 K301 Y303 | T289-A341 HydrophobicContact CG2-CB 4.36Å; K301-A341 HydrophobicContact CD-CB 3.67Å; Y303-A341 VanDerWaalsContact OH-CB 3.29Å; Y303-A341 WeakPolarHBondContact OH-CB 3.18Å; Y303-A341 PolarHBondContact OH-N 3.28Å |
| 342 | A | 88.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -155.3 | 162.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | L287 L340 | L287-A342 HydrophobicContact CD2-CB 4.23Å; L287-A342 WeakPolarHBondContact CD2-O 3.45Å; L340-A342 WeakPolarHBondContact CB-O 3.37Å; L340-A342 PolarHBondContact O-N 2.8Å |
| 343 | R | 91.7 | Very high | 79.4 | Confident | 112 Ų | 112 | 60.6 Ų | 60.6 | 42% | 0.423 | 33% | 0.326 | S | S | . | . | trans | -68.4 | 147.7 | 169.5 | -72.1 | 172.6 | 59 | 174.2 | -2.6 | 110.5 | G270 S334 H335 R345 | G270-R343 WeakPolarHBondContact CA-O 3.36Å; S334-R343 PolarHBondContact O-NE 2.78Å; S334-R343 PolarHBondContact O-NH2 3.44Å; H335-R343 VanDerWaalsContact CA-NH2 3.34Å; H335-R343 PolarHBondContact O-NE 2.81Å; H335-R343 VanDerWaalsContact O-NE 3.07Å; H335-R343 PolarHBondContact O-NH1 3.39Å; H335-R343 PolarHBondContact O-NH2 2.95Å; R343-R345 HydrophobicContact CB-CG 4.22Å; R343-R345 PolarHBondContact O-N 3.16Å; R343-R345 VanDerWaalsContact O-N 3.09Å | ||
| 344 | L | 92.6 | Very high | 77.9 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | trans | -76.3 | 92.8 | 175.4 | -54.6 | -175.2 | 0 | 0 | 0 | 109.5 | F272 V285 L287 I330 H333 S334 L340 | F272-L344 HydrophobicContact CB-CD2 3.76Å; F272-L344 HydrophobicContact CD1-CB 3.65Å; F272-L344 HydrophobicContact CD1-CD2 4.35Å; F272-L344 HydrophobicContact CD2-CB 4.17Å; F272-L344 HydrophobicContact CD2-CD1 4.06Å; F272-L344 HydrophobicContact CD2-CD2 4.09Å; F272-L344 HydrophobicContact CD2-CG 4.33Å; F272-L344 HydrophobicContact CE1-CB 3.69Å; F272-L344 HydrophobicContact CE2-CB 4.2Å; F272-L344 HydrophobicContact CE2-CD1 4.11Å; F272-L344 HydrophobicContact CG-CB 3.9Å; F272-L344 HydrophobicContact CG-CD2 3.81Å; F272-L344 HydrophobicContact CG-CG 4.27Å; F272-L344 HydrophobicContact CZ-CB 3.97Å; V285-L344 HydrophobicContact CG1-CD1 4.45Å; V285-L344 HydrophobicContact CG1-CD2 4.02Å; L287-L344 HydrophobicContact CD1-CD2 3.83Å; L287-L344 HydrophobicContact CD2-CD2 4.49Å; I330-L344 HydrophobicContact CD1-CD1 3.74Å; I330-L344 HydrophobicContact CG2-CD1 4.27Å; H333-L344 HydrophobicContact CB-CD1 3.64Å; H333-L344 HydrophobicContact CB-CG 3.91Å; H333-L344 PolarHBondContact O-N 2.77Å; S334-L344 WeakPolarHBondContact CA-O 3.35Å; S334-L344 WeakPolarHBondContact CB-O 3.29Å; L340-L344 HydrophobicContact CD1-CD2 4.08Å; L340-L344 HydrophobicContact CD1-CG 4.24Å | ||
| 345 | R | 89.9 | Confident | 76.9 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 42% | 0.419 | 35% | 0.347 | S | S | . | . | trans | -100 | -47.4 | -171.3 | -74.6 | -171.1 | -89 | -150.2 | -7.7 | 113.4 | E269 G270 R343 | E269-R345 VanDerWaalsContact CD-NH2 3.28Å; E269-R345 PolarHBondContact O-NE 2.85Å; E269-R345 IonicContact OE1-NH2 2.67Å; E269-R345 PolarHBondContact OE1-NH2 3.05Å; E269-R345 IonicContact OE2-NH2 3.74Å; G270-R345 PolarHBondContact O-N 2.77Å; R343-R345 HydrophobicContact CB-CG 4.22Å; R343-R345 PolarHBondContact O-N 3.16Å; R343-R345 VanDerWaalsContact O-N 3.09Å | ||
| 346 | Y | 90.3 | Very high | 76.5 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 102.6 | -169.3 | -52.8 | -75 | 0 | 0 | 0 | 109.3 | K268 E269 G270 A271 F272 V348 | K268-Y346 HydrophobicContact CB-CD2 3.62Å; K268-Y346 HydrophobicContact CB-CE2 4Å; K268-Y346 HydrophobicContact CB-CG 4.15Å; K268-Y346 HydrophobicContact CD-CD1 4.18Å; K268-Y346 HydrophobicContact CD-CD2 4.23Å; K268-Y346 HydrophobicContact CD-CE1 4.46Å; K268-Y346 HydrophobicContact CD-CG 4.05Å; K268-Y346 HydrophobicContact CG-CD2 4.5Å; E269-Y346 WeakPolarHBondContact O-CE2 3.4Å; G270-Y346 PolarHBondContact O-N 2.81Å; G270-Y346 VanDerWaalsContact O-N 3.11Å; A271-Y346 CarbonylContact C-O 3.45Å; A271-Y346 WeakPolarHBondContact CA-O 3.47Å; F272-Y346 WeakPolarHBondContact CD1-O 3.27Å; F272-Y346 PolarHBondContact N-O 2.91Å; Y346-V348 PolarHBondContact O-N 3.16Å |
| 347 | P | 89.2 | Confident | 76.4 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 127.2 | 177.4 | 29.7 | -35.6 | 0 | 0 | 0 | 109.8 | W249 F272 | W249-P347 HydrophobicContact CB-CB 3.71Å; F272-P347 HydrophobicContact CE1-CB 4.02Å; F272-P347 HydrophobicContact CZ-CB 4.06Å; F272-P347 CarbonylContact O-C 3.58Å |
| 348 | V | 83.5 | Confident | 76.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | trans | -112.4 | 98.2 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | L262 L263 E266 A271 F272 I273 Y346 | L262-V348 HydrophobicContact CB-CG1 3.95Å; L263-V348 HydrophobicContact CD2-CB 3.99Å; L263-V348 HydrophobicContact CD2-CG1 4.39Å; L263-V348 HydrophobicContact CD2-CG2 3.89Å; E266-V348 HydrophobicContact CB-CG2 3.89Å; E266-V348 HydrophobicContact CG-CG2 3.74Å; A271-V348 HydrophobicContact CB-CG2 3.83Å; F272-V348 PolarHBondContact O-N 2.98Å; I273-V348 WeakPolarHBondContact CB-O 3.38Å; I273-V348 WeakPolarHBondContact CD1-O 3.41Å; I273-V348 WeakPolarHBondContact CG1-O 3.48Å; Y346-V348 PolarHBondContact O-N 3.16Å | ||
| 349 | G | 66.3 | Low | 77 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | trans | -118.8 | 146.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108 | E248 Q351 | E248-G349 WeakPolarHBondContact O-CA 3.35Å; G349-Q351 PolarHBondContact O-N 3.26Å | ||
| 350 | K | 56.8 | Low | 77.3 | Confident | 79 Ų | 79 | 53.5 Ų | 53.5 | 34% | 0.343 | 28% | 0.279 | S | S | . | . | trans | -63.7 | 95.5 | 158.4 | -86.4 | -172.2 | 168.3 | -172 | 0 | 106.4 | M258 L262 D352 | M258-K350 HydrophobicContact CE-CD 4.38Å; M258-K350 VanDerWaalsContact CE-CE 3.45Å; L262-K350 HydrophobicContact CD1-CG 4.11Å; L262-K350 HydrophobicContact CD2-CG 4.05Å; K350-D352 PolarHBondContact O-N 2.96Å | ||
| 351 | Q | 51.2 | Low | 77.3 | Confident | 95 Ų | 95 | 53.2 Ų | 53.2 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | trans | -68.3 | 77.2 | 155 | -65.7 | -156.1 | 13.5 | 0 | 0 | 106.2 | E248 G349 K353 | E248-Q351 PolarHBondContact OE1-NE2 3.02Å; G349-Q351 PolarHBondContact O-N 3.26Å; Q351-K353 PolarHBondContact O-N 3.28Å | ||
| 352 | D | 49.9 | Very low | 77.3 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | trans | -63.1 | 97 | 158.3 | -122.1 | -16.7 | 0 | 0 | 0 | 104.5 | K350 S354 | K350-D352 PolarHBondContact O-N 2.96Å; D352-S354 WeakPolarHBondContact CB-O 3.41Å; D352-S354 PolarHBondContact O-N 2.8Å; D352-S354 PolarHBondContact OD1-OG 3.48Å | ||
| 353 | K | 51.1 | Low | 77.2 | Confident | 183 Ų | 183 | 52.9 Ų | 52.9 | 80% | 0.796 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -58.7 | -24.2 | 172.1 | -70.8 | -171.9 | 177.7 | -174.6 | 0 | 110.1 | Q351 | Q351-K353 PolarHBondContact O-N 3.28Š|
| 354 | S | 60.1 | Low | 76.7 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -82.6 | 118.7 | 167.4 | 42.1 | 0 | 0 | 0 | 0 | 110 | D352 | D352-S354 WeakPolarHBondContact CB-O 3.41Å; D352-S354 PolarHBondContact O-N 2.8Å; D352-S354 PolarHBondContact OD1-OG 3.48Å |
| 355 | G | 69.1 | Low | 76.2 | Confident | 16 Ų | 16 | 58 Ų | 58 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 167.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y235 | Y235-G355 VanDerWaalsContact OH-C 3.27Å; Y235-G355 WeakPolarHBondContact OH-CA 3.48Å; Y235-G355 PolarHBondContact OH-O 3.42Å |
| 356 | P | 79.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 161.1 | 178.3 | 26.4 | -34.7 | 0 | 0 | 0 | 111.4 | Y190 N234 Y235 T358 | Y190-P356 HydrophobicContact CD2-CG 4.4Å; Y190-P356 VanDerWaalsContact CE2-CD 3.44Å; Y190-P356 HydrophobicContact CE2-CG 4.1Å; N234-P356 HydrophobicContact CB-CG 4.34Å; Y235-P356 HydrophobicContact CD2-CG 4.07Å; Y235-P356 HydrophobicContact CE2-CG 3.8Å; Y235-P356 WeakPolarHBondContact CE2-O 3.24Å; Y235-P356 PolarHBondContact OH-O 3.45Å; P356-T358 PolarHBondContact O-N 2.75Å |
| 357 | S | 84.4 | Confident | 76.1 | Confident | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 136.8 | 172.6 | -57 | 0 | 0 | 0 | 0 | 110.6 | N234 Y432 E446 | N234-S357 PolarHBondContact ND2-O 2.82Å; S357-Y432 PolarHBondContact OG-OH 3.2Å; S357-E446 PolarHBondContact OG-OE2 3.37Å |
| 358 | T | 87.5 | Confident | 76.1 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 152.2 | 176.8 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | P232 Y235 P356 G360 Q430 | P232-T358 HydrophobicContact CB-CG2 3.61Å; P232-T358 HydrophobicContact CG-CG2 3.86Å; Y235-T358 HydrophobicContact CD2-CG2 4.2Å; Y235-T358 HydrophobicContact CE2-CG2 3.47Å; Y235-T358 VanDerWaalsContact CE2-CG2 3.47Å; P356-T358 PolarHBondContact O-N 2.75Å; T358-G360 VanDerWaalsContact C-N 3.34Å; T358-G360 CarbonylContact C-O 3.49Å; T358-G360 WeakPolarHBondContact CB-O 3.43Å; T358-G360 PolarHBondContact O-N 3.46Å; T358-G360 PolarHBondContact OG1-O 3.4Å; T358-Q430 WeakPolarHBondContact O-CG 3.37Å |
| 359 | A | 84.9 | Confident | 76.5 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -72.5 | 87.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N217 W218 | N217-A359 HydrophobicContact CB-CB 3.56Å; N217-A359 WeakPolarHBondContact ND2-CB 3.43Å; W218-A359 PolarHBondContact NE1-O 2.89Å |
| 360 | G | 86.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 82.1 | 172.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T358 Y432 | T358-G360 VanDerWaalsContact C-N 3.34Å; T358-G360 CarbonylContact C-O 3.49Å; T358-G360 WeakPolarHBondContact CB-O 3.43Å; T358-G360 PolarHBondContact O-N 3.46Å; T358-G360 PolarHBondContact OG1-O 3.4Å; G360-Y432 WeakPolarHBondContact CA-O 3.39Å |
| 361 | F | 85.2 | Confident | 79.2 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -80.9 | -25.6 | 178.6 | -70 | -58.2 | 0 | 0 | 0 | 113.6 | M195 I368 W392 H396 V398 Y432 | M195-F361 WeakPolarHBondContact CB-O 3.49Å; M195-F361 HydrophobicContact CE-CB 4.48Å; M195-F361 HydrophobicContact CE-CD1 3.57Å; M195-F361 HydrophobicContact CE-CE1 4.18Å; M195-F361 HydrophobicContact CE-CG 4.34Å; M195-F361 WeakPolarHBondContact CG-O 3.42Å; F361-I368 HydrophobicContact CD2-CD1 4.17Å; F361-I368 HydrophobicContact CD2-CG1 4.48Å; F361-I368 HydrophobicContact CE2-CD1 3.77Å; F361-I368 HydrophobicContact CE2-CG1 4.47Å; F361-W392 HydrophobicContact CB-CH2 4.07Å; F361-W392 HydrophobicContact CB-CZ2 4.36Å; F361-W392 HydrophobicContact CB-CZ3 4.48Å; F361-W392 HydrophobicContact CD1-CE3 4.05Å; F361-W392 HydrophobicContact CD1-CH2 4.46Å; F361-W392 HydrophobicContact CD1-CZ3 4.07Å; F361-W392 AromaticContact CD2-CD2 3.92Å; F361-W392 HydrophobicContact CD2-CD2 3.92Å; F361-W392 AromaticContact CD2-CE2 3.81Å; F361-W392 HydrophobicContact CD2-CE3 4.24Å; F361-W392 HydrophobicContact CD2-CG 4.44Å; F361-W392 HydrophobicContact CD2-CH2 4.27Å; F361-W392 AromaticContact CD2-CZ2 3.97Å; F361-W392 HydrophobicContact CD2-CZ2 3.97Å; F361-W392 HydrophobicContact CD2-CZ3 4.44Å; F361-W392 HydrophobicContact CE1-CD2 4.28Å; F361-W392 AromaticContact CE1-CE3 3.92Å; F361-W392 HydrophobicContact CE1-CE3 3.92Å; F361-W392 HydrophobicContact CE1-CZ3 4.4Å; F361-W392 HydrophobicContact CE2-CB 4.26Å; F361-W392 AromaticContact CE2-CD2 3.63Å; F361-W392 HydrophobicContact CE2-CD2 3.63Å; F361-W392 AromaticContact CE2-CE2 3.9Å; F361-W392 HydrophobicContact CE2-CE3 4.11Å; F361-W392 AromaticContact CE2-CG 3.73Å; F361-W392 HydrophobicContact CE2-CG 3.73Å; F361-W392 HydrophobicContact CG-CD2 4.36Å; F361-W392 HydrophobicContact CG-CE3 4.21Å; F361-W392 HydrophobicContact CG-CH2 4.03Å; F361-W392 HydrophobicContact CG-CZ2 4.19Å; F361-W392 HydrophobicContact CG-CZ3 4.09Å; F361-W392 HydrophobicContact CZ-CB 4.02Å; F361-W392 AromaticContact CZ-CD2 3.83Å; F361-W392 HydrophobicContact CZ-CD2 3.83Å; F361-W392 AromaticContact CZ-CE3 3.95Å; F361-W392 HydrophobicContact CZ-CE3 3.95Å; F361-W392 AromaticContact CZ-CG 3.9Å; F361-W392 HydrophobicContact CZ-CG 3.9Å; F361-H396 HydrophobicContact CE1-CB 4.48Å; F361-V398 HydrophobicContact CZ-CG1 4.07Å; F361-Y432 HydrophobicContact CD1-CD1 4.48Å; F361-Y432 HydrophobicContact CD1-CG 4.47Å; F361-Y432 HydrophobicContact CE1-CD1 4.19Å; F361-Y432 AromaticContact CE1-CD2 3.92Å; F361-Y432 HydrophobicContact CE1-CD2 3.92Å; F361-Y432 HydrophobicContact CE1-CE2 4.26Å; F361-Y432 AromaticContact CE1-CG 3.88Å; F361-Y432 HydrophobicContact CE1-CG 3.88Å; F361-Y432 HydrophobicContact CE2-CD2 4.4Å; F361-Y432 HydrophobicContact CE2-CG 4.15Å; F361-Y432 HydrophobicContact CZ-CD1 4.45Å; F361-Y432 AromaticContact CZ-CD2 3.62Å; F361-Y432 HydrophobicContact CZ-CD2 3.62Å; F361-Y432 HydrophobicContact CZ-CE2 4.32Å; F361-Y432 AromaticContact CZ-CG 3.7Å; F361-Y432 HydrophobicContact CZ-CG 3.7Å |
| 362 | S | 86.6 | Confident | 81.1 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -159.6 | 168 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | H198 D199 E364 M365 | H198-S362 PolarHBondContact NE2-OG 2.91Å; D199-S362 PolarHBondContact OD1-OG 3.37Å; D199-S362 PolarHBondContact OD2-OG 3.21Å; S362-E364 PolarHBondContact O-N 2.99Å; S362-M365 PolarHBondContact O-N 3.46Å |
| 363 | Y | 84.6 | Confident | 83.2 | Confident | 40 Ų | 40 | 48.9 Ų | 48.9 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 132.4 | -177.7 | 179.5 | -108.2 | 0 | 0 | 0 | 111.7 | C214 W218 Y230 M365 | C214-Y363 HydrophobicContact CB-CD2 4.39Å; C214-Y363 HydrophobicContact CB-CE2 3.67Å; W218-Y363 HydrophobicContact CB-CD2 3.58Å; W218-Y363 HydrophobicContact CB-CE2 4.36Å; W218-Y363 HydrophobicContact CB-CG 4.36Å; W218-Y363 AromaticContact CG-CD2 3.9Å; W218-Y363 HydrophobicContact CG-CD2 3.9Å; Y230-Y363 AromaticContact CD1-CD1 3.85Å; Y230-Y363 HydrophobicContact CD1-CD1 3.85Å; Y230-Y363 HydrophobicContact CD1-CD2 4.44Å; Y230-Y363 AromaticContact CD1-CG 3.77Å; Y230-Y363 HydrophobicContact CD1-CG 3.77Å; Y230-Y363 AromaticContact CE1-CD1 3.4Å; Y230-Y363 HydrophobicContact CE1-CD1 3.4Å; Y230-Y363 VanDerWaalsContact CE1-CD1 3.4Å; Y230-Y363 AromaticContact CE1-CE1 3.82Å; Y230-Y363 HydrophobicContact CE1-CE1 3.82Å; Y230-Y363 AromaticContact CE1-CG 3.81Å; Y230-Y363 HydrophobicContact CE1-CG 3.81Å; Y230-Y363 HydrophobicContact CE2-CD1 4.19Å; Y230-Y363 HydrophobicContact CG-CD1 4.39Å; Y230-Y363 HydrophobicContact CG-CG 4.27Å; Y230-Y363 AromaticContact CZ-CD1 3.58Å; Y363-M365 PolarHBondContact O-N 3.1Å |
| 364 | E | 81.2 | Confident | 85.3 | Confident | 144 Ų | 144 | 43.3 Ų | 43.3 | 67% | 0.673 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 7 | -176.8 | -70.3 | -178.4 | -174.2 | 0 | 0 | 116.7 | S362 W366 | S362-E364 PolarHBondContact O-N 2.99Å; E364-W366 PolarHBondContact O-N 3.38Å |
| 365 | M | 83.8 | Confident | 86.9 | Confident | 80 Ų | 80 | 42.8 Ų | 42.8 | 39% | 0.394 | 23% | 0.23 | S | C | . | . | trans | -90.3 | 96.2 | 178 | -69.7 | -68.3 | -78.8 | 0 | 0 | 111.2 | S362 Y363 | S362-M365 PolarHBondContact O-N 3.46Å; Y363-M365 PolarHBondContact O-N 3.1Å | ||
| 366 | W | 86.5 | Confident | 88.1 | Confident | 63 Ų | 63 | 46.9 Ų | 46.9 | 24% | 0.239 | 25% | 0.246 | C | C | . | . | trans | -107.3 | -27.2 | -179 | 69.3 | -84.4 | 0 | 0 | 0 | 114.5 | E364 I414 K418 M421 G433 V434 | E364-W366 PolarHBondContact O-N 3.38Å; W366-I414 HydrophobicContact CE3-CG2 4.45Å; W366-I414 HydrophobicContact CH2-CG2 3.62Å; W366-I414 HydrophobicContact CZ2-CG2 4.36Å; W366-I414 HydrophobicContact CZ3-CG1 4.4Å; W366-I414 HydrophobicContact CZ3-CG2 3.67Å; W366-K418 HydrophobicContact CD2-CG 4.18Å; W366-K418 HydrophobicContact CE3-CG 4.41Å; W366-K418 HydrophobicContact CG-CG 4.23Å; W366-M421 VanDerWaalsContact CA-SD 3.56Å; W366-M421 HydrophobicContact CB-CE 3.95Å; W366-M421 HydrophobicContact CB-SD 3.38Å; W366-M421 WeakPolarHBondContact CB-SD 3.44Å; W366-G433 VanDerWaalsContact O-CA 3.27Å; W366-G433 WeakPolarHBondContact O-CA 3.35Å; W366-V434 HydrophobicContact CE3-CG2 3.49Å; W366-V434 VanDerWaalsContact CE3-CG2 3.49Å; W366-V434 HydrophobicContact CZ3-CG2 3.47Å; W366-V434 VanDerWaalsContact CZ3-CG2 3.47Å; W366-V434 PolarHBondContact O-N 3.36Å | ||
| 367 | E | 89.9 | Confident | 88.8 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 30% | 0.304 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -96.2 | 124.1 | -179.6 | -168.7 | 167.9 | -135.1 | 0 | 0 | 110.1 | V434 S436 Q437 | E367-V434 CarbonylContact C-O 3.57Å; E367-V434 WeakPolarHBondContact CA-O 3.15Å; E367-S436 PolarHBondContact OE1-OG 2.99Å; E367-Q437 VanDerWaalsContact CD-NE2 3.34Å; E367-Q437 HydrophobicContact CG-CG 4.29Å; E367-Q437 WeakPolarHBondContact OE1-CG 3.47Å; E367-Q437 PolarHBondContact OE2-NE2 3.18Å |
| 368 | I | 90.6 | Very high | 89.3 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -100.4 | 130.8 | 178.1 | -66 | 165.4 | 0 | 0 | 0 | 108.5 | F361 P370 L373 V434 C435 V444 | F361-I368 HydrophobicContact CD2-CD1 4.17Å; F361-I368 HydrophobicContact CD2-CG1 4.48Å; F361-I368 HydrophobicContact CE2-CD1 3.77Å; F361-I368 HydrophobicContact CE2-CG1 4.47Å; I368-P370 WeakPolarHBondContact O-CD 3.27Å; I368-L373 HydrophobicContact CG2-CD1 4.25Å; I368-L373 HydrophobicContact CG2-CD2 4.15Å; I368-L373 HydrophobicContact CG2-CG 4.02Å; I368-V434 PolarHBondContact N-O 3.33Å; I368-C435 PolarHBondContact O-SG 3.28Å; I368-V444 HydrophobicContact CD1-CB 3.64Å; I368-V444 HydrophobicContact CD1-CG1 4.02Å; I368-V444 HydrophobicContact CD1-CG2 3.7Å |
| 369 | N | 90.4 | Very high | 89.3 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 125 | 174.4 | -173.4 | -40.1 | 0 | 0 | 0 | 109 | S371 E372 | N369-S371 VanDerWaalsContact CG-OG 3.24Å; N369-S371 PolarHBondContact O-N 3.12Å; N369-S371 VanDerWaalsContact O-N 3.09Å; N369-S371 WeakPolarHBondContact OD1-CB 3.45Å; N369-S371 PolarHBondContact OD1-N 3Å; N369-S371 PolarHBondContact OD1-OG 3.21Å; N369-E372 HydrophobicContact CB-CG 4.07Å; N369-E372 WeakPolarHBondContact O-CB 3.48Å; N369-E372 PolarHBondContact O-N 3.47Å |
| 370 | P | 89.1 | Confident | 89.3 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -59.2 | -25.3 | -178.4 | -19.4 | 26.6 | 0 | 0 | 0 | 114.9 | I368 E372 L373 C435 Q438 | I368-P370 WeakPolarHBondContact O-CD 3.27Å; P370-E372 PolarHBondContact O-N 3.28Å; P370-L373 PolarHBondContact O-N 3.46Å; P370-L373 VanDerWaalsContact O-N 3.12Å; P370-C435 HydrophobicContact CG-CB 4.21Å; P370-Q438 VanDerWaalsContact CB-CD 3.45Å; P370-Q438 HydrophobicContact CB-CG 4.13Å; P370-Q438 VanDerWaalsContact CG-CD 3.47Å; P370-Q438 HydrophobicContact CG-CG 3.63Å |
| 371 | S | 91.1 | Very high | 88.9 | Confident | 100 Ų | 100 | 63.3 Ų | 63.3 | 70% | 0.699 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67.2 | -18.7 | 175.9 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | N369 L373 | N369-S371 VanDerWaalsContact CG-OG 3.24Å; N369-S371 PolarHBondContact O-N 3.12Å; N369-S371 VanDerWaalsContact O-N 3.09Å; N369-S371 WeakPolarHBondContact OD1-CB 3.45Å; N369-S371 PolarHBondContact OD1-N 3Å; N369-S371 PolarHBondContact OD1-OG 3.21Å; S371-L373 VanDerWaalsContact C-N 3.3Å |
| 372 | E | 92.1 | Very high | 88.1 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.22 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -82.4 | -9.4 | 174.5 | -58.8 | 179.9 | 141.5 | 0 | 0 | 112.8 | N369 P370 W392 R393 | N369-E372 HydrophobicContact CB-CG 4.07Å; N369-E372 WeakPolarHBondContact O-CB 3.48Å; N369-E372 PolarHBondContact O-N 3.47Å; P370-E372 PolarHBondContact O-N 3.28Å; E372-W392 WeakPolarHBondContact O-CA 3.47Å; E372-W392 PolarHBondContact OE2-NE1 3.18Å; E372-R393 HydrophobicContact CB-CG 4.07Å; E372-R393 HydrophobicContact CG-CG 4.24Å; E372-R393 PolarHBondContact O-N 3.33Å; E372-R393 IonicContact OE1-CZ 3.49Å; E372-R393 VanDerWaalsContact OE1-CZ 3.23Å; E372-R393 IonicContact OE1-NE 3.31Å; E372-R393 PolarHBondContact OE1-NE 3.28Å; E372-R393 IonicContact OE1-NH2 2.85Å; E372-R393 PolarHBondContact OE1-NH2 3.39Å; E372-R393 IonicContact OE2-NE 2.76Å |
| 373 | L | 93.9 | Very high | 87 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.3 | -178.9 | -65 | 178.2 | 0 | 0 | 0 | 111.1 | I368 P370 S371 F375 W392 V398 I400 C435 V444 | I368-L373 HydrophobicContact CG2-CD1 4.25Å; I368-L373 HydrophobicContact CG2-CD2 4.15Å; I368-L373 HydrophobicContact CG2-CG 4.02Å; P370-L373 PolarHBondContact O-N 3.46Å; P370-L373 VanDerWaalsContact O-N 3.12Å; S371-L373 VanDerWaalsContact C-N 3.3Å; L373-F375 HydrophobicContact CB-CE2 4.37Å; L373-W392 HydrophobicContact CD2-CB 4.13Å; L373-W392 HydrophobicContact CD2-CG 4.46Å; L373-V398 HydrophobicContact CD2-CG2 4.37Å; L373-I400 HydrophobicContact CB-CD1 4.15Å; L373-I400 HydrophobicContact CD1-CD1 4.26Å; L373-I400 HydrophobicContact CD2-CD1 4.16Å; L373-I400 HydrophobicContact CG-CD1 4.44Å; L373-C435 WeakPolarHBondContact CD1-SG 3.31Å; L373-V444 HydrophobicContact CD1-CG2 3.83Å; L373-V444 HydrophobicContact CD2-CG1 4.37Å; L373-V444 HydrophobicContact CD2-CG2 4.22Å |
| 374 | T | 95.3 | Very high | 86.1 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.3 | 167 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | G390 M391 | T374-G390 CarbonylContact O-C 3.59Å; T374-G390 WeakPolarHBondContact O-CA 3.43Å; T374-M391 PolarHBondContact N-O 3.37Å; T374-M391 PolarHBondContact O-N 3.04Å |
| 375 | F | 94.2 | Very high | 85.9 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.7 | 176.1 | -63 | -96.3 | 0 | 0 | 0 | 110.5 | L373 I400 Y442 | L373-F375 HydrophobicContact CB-CE2 4.37Å; F375-I400 HydrophobicContact CD1-CD1 3.99Å; F375-I400 HydrophobicContact CD1-CG2 4.39Å; F375-I400 HydrophobicContact CE1-CB 4.27Å; F375-I400 HydrophobicContact CE1-CD1 4.02Å; F375-I400 HydrophobicContact CE1-CG2 3.64Å; F375-I400 HydrophobicContact CG-CD1 4.48Å; F375-I400 HydrophobicContact CZ-CD1 4.5Å; F375-I400 HydrophobicContact CZ-CG2 4.28Å; F375-Y442 HydrophobicContact CE1-CD1 4.19Å; F375-Y442 AromaticContact CE1-CE1 3.83Å; F375-Y442 HydrophobicContact CE1-CE1 3.83Å; F375-Y442 HydrophobicContact CZ-CD1 4.36Å; F375-Y442 HydrophobicContact CZ-CD2 4.38Å; F375-Y442 AromaticContact CZ-CE1 3.97Å; F375-Y442 HydrophobicContact CZ-CE1 3.97Å; F375-Y442 HydrophobicContact CZ-CE2 4.03Å; F375-Y442 AromaticContact CZ-CZ 3.8Å |
| 376 | M | 94.1 | Very high | 86 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 50% | 0.502 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -136.4 | 179.3 | -55.2 | 178.3 | 70.6 | 0 | 0 | 109.7 | L389 M391 | M376-L389 WeakPolarHBondContact CA-O 3.47Å; M376-L389 HydrophobicContact CB-CB 4.38Å; M376-L389 HydrophobicContact CB-CG 4.3Å; M376-L389 WeakPolarHBondContact CB-O 3.41Å; M376-L389 PolarHBondContact N-O 3.02Å; M376-L389 HydrophobicContact SD-CD2 4.39Å; M376-L389 HydrophobicContact SD-CG 4.25Å; M376-M391 HydrophobicContact SD-CG 3.76Å |
| 377 | K | 93.5 | Very high | 86.2 | Confident | 157 Ų | 157 | 62.2 Ų | 62.2 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 141.9 | -175.6 | 178.8 | -179 | 172 | -173.7 | 0 | 112.4 | L379 R388 L389 | K377-L379 PolarHBondContact O-N 2.95Å; K377-R388 WeakPolarHBondContact O-CA 3.34Å; K377-L389 PolarHBondContact O-N 3.18Å |
| 378 | E | 93.7 | Very high | 86.4 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 127.9 | 166.6 | -177 | 174.9 | 158 | 0 | 0 | 111 | S381 Q386 | E378-S381 WeakPolarHBondContact OE1-CB 3.17Å; E378-S381 PolarHBondContact OE1-OG 3.07Å; E378-S381 VanDerWaalsContact OE1-OG 3.06Å; E378-Q386 HydrophobicContact CG-CG 4.1Å; E378-Q386 PolarHBondContact OE2-NE2 3.31Å |
| 379 | L | 88.8 | Confident | 86.7 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 42% | 0.419 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -32.9 | 177.8 | -64.2 | 174.8 | 0 | 0 | 0 | 111.5 | K377 V387 L389 A399 F447 | K377-L379 PolarHBondContact O-N 2.95Å; L379-V387 HydrophobicContact CB-CG1 4.34Å; L379-V387 HydrophobicContact CD1-CG1 4.32Å; L379-V387 PolarHBondContact N-O 3.25Å; L379-L389 HydrophobicContact CD1-CB 4.01Å; L379-L389 HydrophobicContact CD2-CB 4.08Å; L379-L389 HydrophobicContact CG-CB 4.03Å; L379-A399 HydrophobicContact CD1-CB 4.48Å; L379-F447 HydrophobicContact CD1-CD2 3.91Å; L379-F447 HydrophobicContact CD1-CE2 3.63Å; L379-F447 HydrophobicContact CD2-CE2 3.95Å; L379-F447 HydrophobicContact CG-CE2 4.45Å |
| 380 | G | 83.9 | Confident | 86.9 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | 166.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V387 | G380-V387 PolarHBondContact N-O 3.18Å; G380-V387 PolarHBondContact O-N 3.33Å |
| 381 | S | 79.7 | Confident | 87.1 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.5 | 175.3 | 41.5 | 0 | 0 | 0 | 0 | 109.6 | E378 | E378-S381 WeakPolarHBondContact OE1-CB 3.17Å; E378-S381 PolarHBondContact OE1-OG 3.07Å; E378-S381 VanDerWaalsContact OE1-OG 3.06Å |
| 382 | G | 67.9 | Low | 87.2 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -171.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y384 G385 K404 | G382-Y384 PolarHBondContact O-N 3.14Å; G382-G385 PolarHBondContact N-O 2.95Å; G382-G385 PolarHBondContact O-N 3.45Å; G382-K404 PolarHBondContact O-NZ 3.46Å; G382-K404 VanDerWaalsContact O-NZ 3.09Å |
| 383 | Q | 63.8 | Low | 87.2 | Confident | 111 Ų | 111 | 58.6 Ų | 58.6 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -41.8 | 177.3 | -178.7 | 173.1 | -53.3 | 0 | 0 | 111.2 | K404 | Q383-K404 WeakPolarHBondContact O-CD 3.36Å; Q383-K404 PolarHBondContact O-NZ 2.84Å |
| 384 | Y | 65.1 | Low | 86.9 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 23% | 0.231 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.4 | -172.3 | -51.5 | -68.7 | 0 | 0 | 0 | 114.9 | G382 M513 | G382-Y384 PolarHBondContact O-N 3.14Å; Y384-M513 HydrophobicContact CD1-SD 3.46Å; Y384-M513 WeakPolarHBondContact CD1-SD 3.45Å; Y384-M513 HydrophobicContact CE1-SD 3.22Å; Y384-M513 WeakPolarHBondContact CE1-SD 3.18Å; Y384-M513 HydrophobicContact CG-SD 4.48Å |
| 385 | G | 75.8 | Confident | 86.4 | Confident | 6 Ų | 6 | 69 Ų | 69 | 6% | 0.062 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 132 | -172.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G382 A402 | G382-G385 PolarHBondContact N-O 2.95Å; G382-G385 PolarHBondContact O-N 3.45Å; G385-A402 VanDerWaalsContact CA-O 3.3Å; G385-A402 WeakPolarHBondContact CA-O 3.41Å |
| 386 | Q | 86.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136 | 179.9 | -171.2 | -173.5 | 48.1 | 0 | 0 | 109.5 | E378 R388 K401 A402 | E378-Q386 HydrophobicContact CG-CG 4.1Å; E378-Q386 PolarHBondContact OE2-NE2 3.31Å; Q386-R388 HydrophobicContact CG-CG 4.33Å; Q386-R388 VanDerWaalsContact OE1-CZ 3.24Å; Q386-K401 WeakPolarHBondContact O-CA 3.45Å; Q386-A402 PolarHBondContact O-N 3.28Å |
| 387 | V | 91.3 | Very high | 86 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.7 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | L379 G380 A399 I400 K401 | L379-V387 HydrophobicContact CB-CG1 4.34Å; L379-V387 HydrophobicContact CD1-CG1 4.32Å; L379-V387 PolarHBondContact N-O 3.25Å; G380-V387 PolarHBondContact N-O 3.18Å; G380-V387 PolarHBondContact O-N 3.33Å; V387-A399 HydrophobicContact CG1-CB 4.44Å; V387-I400 WeakPolarHBondContact CA-O 3.33Å; V387-K401 HydrophobicContact CG2-CB 4.17Å; V387-K401 HydrophobicContact CG2-CD 4.32Å; V387-K401 HydrophobicContact CG2-CG 3.98Å |
| 388 | R | 93.9 | Very high | 86.1 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 28% | 0.275 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 148.9 | 176.5 | -54 | -170.8 | -148.4 | 159.3 | 6.9 | 110.7 | K377 Q386 I400 | K377-R388 WeakPolarHBondContact O-CA 3.34Å; Q386-R388 HydrophobicContact CG-CG 4.33Å; Q386-R388 VanDerWaalsContact OE1-CZ 3.24Å; R388-I400 PolarHBondContact N-O 2.87Å; R388-I400 PolarHBondContact O-N 2.98Å |
| 389 | L | 95.3 | Very high | 86.1 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 142.3 | 161.4 | 175.4 | 62.1 | 0 | 0 | 0 | 107.9 | M376 K377 L379 F447 | M376-L389 WeakPolarHBondContact CA-O 3.47Å; M376-L389 HydrophobicContact CB-CB 4.38Å; M376-L389 HydrophobicContact CB-CG 4.3Å; M376-L389 WeakPolarHBondContact CB-O 3.41Å; M376-L389 PolarHBondContact N-O 3.02Å; M376-L389 HydrophobicContact SD-CD2 4.39Å; M376-L389 HydrophobicContact SD-CG 4.25Å; K377-L389 PolarHBondContact O-N 3.18Å; L379-L389 HydrophobicContact CD1-CB 4.01Å; L379-L389 HydrophobicContact CD2-CB 4.08Å; L379-L389 HydrophobicContact CG-CB 4.03Å; L389-F447 HydrophobicContact CD1-CB 4.41Å; L389-F447 HydrophobicContact CD1-CD1 3.92Å; L389-F447 HydrophobicContact CD1-CD2 3.65Å; L389-F447 HydrophobicContact CD1-CE1 4.06Å; L389-F447 HydrophobicContact CD1-CE2 3.84Å; L389-F447 HydrophobicContact CD1-CG 3.7Å; L389-F447 HydrophobicContact CD1-CZ 4.04Å |
| 390 | G | 95.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -178.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T374 V398 | T374-G390 CarbonylContact O-C 3.59Å; T374-G390 WeakPolarHBondContact O-CA 3.43Å; G390-V398 PolarHBondContact N-O 3.21Å; G390-V398 PolarHBondContact O-N 2.87Å |
| 391 | M | 94.3 | Very high | 86.6 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 17% | 0.172 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.3 | 174.2 | -64.2 | -72.9 | -67.8 | 0 | 0 | 109.4 | T374 M376 S394 R395 H396 K397 | T374-M391 PolarHBondContact N-O 3.37Å; T374-M391 PolarHBondContact O-N 3.04Å; M376-M391 HydrophobicContact SD-CG 3.76Å; M391-S394 VanDerWaalsContact CE-C 3.45Å; M391-S394 WeakPolarHBondContact CE-O 3.44Å; M391-R395 VanDerWaalsContact CE-C 3.48Å; M391-H396 CarbonylContact C-O 3.43Å; M391-H396 VanDerWaalsContact CA-O 3.29Å; M391-H396 WeakPolarHBondContact CA-O 3.37Å; M391-K397 HydrophobicContact SD-CB 4.22Å; M391-K397 HydrophobicContact SD-CG 3.44Å; M391-K397 WeakPolarHBondContact SD-CG 3.45Å |
| 392 | W | 92.8 | Very high | 87 | Confident | 8 Ų | 8 | 52 Ų | 52 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 127.2 | 166.7 | -178.8 | 74.1 | 0 | 0 | 0 | 110 | M195 F361 E372 L373 S394 R395 H396 V398 | M195-W392 HydrophobicContact CB-CH2 4.36Å; M195-W392 HydrophobicContact CE-CE3 3.97Å; M195-W392 HydrophobicContact CE-CH2 4.08Å; M195-W392 HydrophobicContact CE-CZ3 3.26Å; M195-W392 HydrophobicContact SD-CZ3 4.02Å; F361-W392 HydrophobicContact CB-CH2 4.07Å; F361-W392 HydrophobicContact CB-CZ2 4.36Å; F361-W392 HydrophobicContact CB-CZ3 4.48Å; F361-W392 HydrophobicContact CD1-CE3 4.05Å; F361-W392 HydrophobicContact CD1-CH2 4.46Å; F361-W392 HydrophobicContact CD1-CZ3 4.07Å; F361-W392 AromaticContact CD2-CD2 3.92Å; F361-W392 HydrophobicContact CD2-CD2 3.92Å; F361-W392 AromaticContact CD2-CE2 3.81Å; F361-W392 HydrophobicContact CD2-CE3 4.24Å; F361-W392 HydrophobicContact CD2-CG 4.44Å; F361-W392 HydrophobicContact CD2-CH2 4.27Å; F361-W392 AromaticContact CD2-CZ2 3.97Å; F361-W392 HydrophobicContact CD2-CZ2 3.97Å; F361-W392 HydrophobicContact CD2-CZ3 4.44Å; F361-W392 HydrophobicContact CE1-CD2 4.28Å; F361-W392 AromaticContact CE1-CE3 3.92Å; F361-W392 HydrophobicContact CE1-CE3 3.92Å; F361-W392 HydrophobicContact CE1-CZ3 4.4Å; F361-W392 HydrophobicContact CE2-CB 4.26Å; F361-W392 AromaticContact CE2-CD2 3.63Å; F361-W392 HydrophobicContact CE2-CD2 3.63Å; F361-W392 AromaticContact CE2-CE2 3.9Å; F361-W392 HydrophobicContact CE2-CE3 4.11Å; F361-W392 AromaticContact CE2-CG 3.73Å; F361-W392 HydrophobicContact CE2-CG 3.73Å; F361-W392 HydrophobicContact CG-CD2 4.36Å; F361-W392 HydrophobicContact CG-CE3 4.21Å; F361-W392 HydrophobicContact CG-CH2 4.03Å; F361-W392 HydrophobicContact CG-CZ2 4.19Å; F361-W392 HydrophobicContact CG-CZ3 4.09Å; F361-W392 HydrophobicContact CZ-CB 4.02Å; F361-W392 AromaticContact CZ-CD2 3.83Å; F361-W392 HydrophobicContact CZ-CD2 3.83Å; F361-W392 AromaticContact CZ-CE3 3.95Å; F361-W392 HydrophobicContact CZ-CE3 3.95Å; F361-W392 AromaticContact CZ-CG 3.9Å; F361-W392 HydrophobicContact CZ-CG 3.9Å; E372-W392 WeakPolarHBondContact O-CA 3.47Å; E372-W392 PolarHBondContact OE2-NE1 3.18Å; L373-W392 HydrophobicContact CD2-CB 4.13Å; L373-W392 HydrophobicContact CD2-CG 4.46Å; W392-S394 PolarHBondContact O-N 3.39Å; W392-R395 PolarHBondContact O-N 3.08Å; W392-H396 HydrophobicContact CE3-CB 4.43Å; W392-H396 AromaticContact CE3-ND1 3.97Å; W392-H396 PolarHBondContact N-O 3.39Å; W392-H396 PolarHBondContact O-N 3.22Å; W392-H396 VanDerWaalsContact O-N 3.11Å; W392-V398 HydrophobicContact CB-CG1 4.21Å |
| 393 | R | 91 | Very high | 87.6 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 33.8 | -175.1 | -64.7 | -176.4 | 175.5 | 163.6 | 4.7 | 113.6 | M195 E196 E372 R395 | M195-R393 PolarHBondContact O-NH1 3.4Å; E196-R393 IonicContact OE1-CZ 3.16Å; E196-R393 VanDerWaalsContact OE1-CZ 3.22Å; E196-R393 IonicContact OE1-NH1 2.98Å; E196-R393 PolarHBondContact OE1-NH1 2.74Å; E196-R393 IonicContact OE1-NH2 3.48Å; E196-R393 PolarHBondContact OE1-NH2 3.35Å; E372-R393 HydrophobicContact CB-CG 4.07Å; E372-R393 HydrophobicContact CG-CG 4.24Å; E372-R393 PolarHBondContact O-N 3.33Å; E372-R393 IonicContact OE1-CZ 3.49Å; E372-R393 VanDerWaalsContact OE1-CZ 3.23Å; E372-R393 IonicContact OE1-NE 3.31Å; E372-R393 PolarHBondContact OE1-NE 3.28Å; E372-R393 IonicContact OE1-NH2 2.85Å; E372-R393 PolarHBondContact OE1-NH2 3.39Å; E372-R393 IonicContact OE2-NE 2.76Å; R393-R395 WeakPolarHBondContact O-CG 3.27Å; R393-R395 PolarHBondContact O-N 3.36Å |
| 394 | S | 88.1 | Confident | 87.9 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 16.2 | -176.5 | -51.2 | 0 | 0 | 0 | 0 | 115.4 | M391 W392 | M391-S394 VanDerWaalsContact CE-C 3.45Å; M391-S394 WeakPolarHBondContact CE-O 3.44Å; W392-S394 PolarHBondContact O-N 3.39Å |
| 395 | R | 85.4 | Confident | 88.2 | Confident | 205 Ų | 205 | 55.8 Ų | 55.8 | 77% | 0.774 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -43.1 | -176.8 | -71.7 | -179.8 | -177.2 | -173.4 | 1.6 | 113.1 | M391 W392 R393 | M391-R395 VanDerWaalsContact CE-C 3.48Å; W392-R395 PolarHBondContact O-N 3.08Å; R393-R395 WeakPolarHBondContact O-CG 3.27Å; R393-R395 PolarHBondContact O-N 3.36Å |
| 396 | H | 87.2 | Confident | 87.6 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.3 | -171.4 | -66.4 | 81.9 | 0 | 0 | 0 | 111 | M195 F361 M391 W392 | M195-H396 WeakPolarHBondContact CE-CE1 3.29Å; M195-H396 VanDerWaalsContact SD-CE1 3.58Å; F361-H396 HydrophobicContact CE1-CB 4.48Å; M391-H396 CarbonylContact C-O 3.43Å; M391-H396 VanDerWaalsContact CA-O 3.29Å; M391-H396 WeakPolarHBondContact CA-O 3.37Å; W392-H396 HydrophobicContact CE3-CB 4.43Å; W392-H396 AromaticContact CE3-ND1 3.97Å; W392-H396 PolarHBondContact N-O 3.39Å; W392-H396 PolarHBondContact O-N 3.22Å; W392-H396 VanDerWaalsContact O-N 3.11Å |
| 397 | K | 92.9 | Very high | 86.3 | Confident | 137 Ų | 137 | 59.1 Ų | 59.1 | 60% | 0.596 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 131.8 | 173.5 | -74 | 179.8 | -177 | 175.3 | 0 | 110 | M391 F447 | M391-K397 HydrophobicContact SD-CB 4.22Å; M391-K397 HydrophobicContact SD-CG 3.44Å; M391-K397 WeakPolarHBondContact SD-CG 3.45Å; K397-F447 HydrophobicContact CB-CB 4.31Å; K397-F447 HydrophobicContact CB-CD1 4.45Å; K397-F447 HydrophobicContact CD-CD1 4.45Å |
| 398 | V | 94.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 155.5 | -177.7 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | F361 L373 G390 W392 I400 Y432 V444 T445 | F361-V398 HydrophobicContact CZ-CG1 4.07Å; L373-V398 HydrophobicContact CD2-CG2 4.37Å; G390-V398 PolarHBondContact N-O 3.21Å; G390-V398 PolarHBondContact O-N 2.87Å; W392-V398 HydrophobicContact CB-CG1 4.21Å; V398-I400 HydrophobicContact CG2-CD1 4.2Å; V398-I400 HydrophobicContact CG2-CG1 3.87Å; V398-Y432 HydrophobicContact CG1-CD2 3.96Å; V398-Y432 HydrophobicContact CG1-CE2 4.16Å; V398-V444 HydrophobicContact CB-CG1 3.67Å; V398-V444 HydrophobicContact CG1-CG1 3.78Å; V398-V444 HydrophobicContact CG2-CG1 3.91Å; V398-T445 WeakPolarHBondContact CA-O 3.42Å |
| 399 | A | 94.8 | Very high | 83.5 | Confident | 10 Ų | 10 | 65.9 Ų | 65.9 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 125.9 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | L379 V387 V444 T445 | L379-A399 HydrophobicContact CD1-CB 4.48Å; V387-A399 HydrophobicContact CG1-CB 4.44Å; A399-V444 WeakPolarHBondContact O-CA 3.45Å; A399-T445 PolarHBondContact N-O 3.46Å; A399-T445 PolarHBondContact O-N 3.04Å; A399-T445 PolarHBondContact O-OG1 3.34Å |
| 400 | I | 93.4 | Very high | 82.2 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112.6 | -176.8 | -51.3 | 169.9 | 0 | 0 | 0 | 108.3 | L373 F375 V387 R388 V398 Y442 I443 | L373-I400 HydrophobicContact CB-CD1 4.15Å; L373-I400 HydrophobicContact CD1-CD1 4.26Å; L373-I400 HydrophobicContact CD2-CD1 4.16Å; L373-I400 HydrophobicContact CG-CD1 4.44Å; F375-I400 HydrophobicContact CD1-CD1 3.99Å; F375-I400 HydrophobicContact CD1-CG2 4.39Å; F375-I400 HydrophobicContact CE1-CB 4.27Å; F375-I400 HydrophobicContact CE1-CD1 4.02Å; F375-I400 HydrophobicContact CE1-CG2 3.64Å; F375-I400 HydrophobicContact CG-CD1 4.48Å; F375-I400 HydrophobicContact CZ-CD1 4.5Å; F375-I400 HydrophobicContact CZ-CG2 4.28Å; V387-I400 WeakPolarHBondContact CA-O 3.33Å; R388-I400 PolarHBondContact N-O 2.87Å; R388-I400 PolarHBondContact O-N 2.98Å; V398-I400 HydrophobicContact CG2-CD1 4.2Å; V398-I400 HydrophobicContact CG2-CG1 3.87Å; I400-Y442 HydrophobicContact CG2-CD1 3.74Å; I400-Y442 HydrophobicContact CG2-CG 4.01Å; I400-I443 WeakPolarHBondContact CA-O 3.42Å |
| 401 | K | 89.8 | Confident | 81 | Confident | 23 Ų | 23 | 75.7 Ų | 75.7 | 10% | 0.1 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.1 | 178 | -178.6 | 175.2 | -173.8 | 177.9 | 0 | 109.9 | Q386 V387 I403 Y442 I443 D510 | Q386-K401 WeakPolarHBondContact O-CA 3.45Å; V387-K401 HydrophobicContact CG2-CB 4.17Å; V387-K401 HydrophobicContact CG2-CD 4.32Å; V387-K401 HydrophobicContact CG2-CG 3.98Å; K401-I403 HydrophobicContact CD-CD1 4.33Å; K401-I403 HydrophobicContact CG-CD1 4.19Å; K401-Y442 CarbonylContact O-C 3.55Å; K401-Y442 WeakPolarHBondContact O-CA 3.31Å; K401-I443 HydrophobicContact CB-CB 4.36Å; K401-I443 PolarHBondContact N-O 3Å; K401-I443 PolarHBondContact O-N 3.47Å; K401-D510 VanDerWaalsContact NZ-CG 3.26Å; K401-D510 IonicContact NZ-OD1 3.63Å; K401-D510 PolarHBondContact NZ-OD1 3.27Å; K401-D510 IonicContact NZ-OD2 2.68Å; K401-D510 PolarHBondContact NZ-OD2 3.15Å |
| 402 | A | 88.1 | Confident | 79.8 | Confident | 12 Ų | 12 | 77.6 Ų | 77.6 | 10% | 0.099 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 125.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G385 Q386 P440 Y442 | G385-A402 VanDerWaalsContact CA-O 3.3Å; G385-A402 WeakPolarHBondContact CA-O 3.41Å; Q386-A402 PolarHBondContact O-N 3.28Å; A402-P440 HydrophobicContact CB-CG 4.11Å; A402-Y442 HydrophobicContact CB-CD1 3.85Å; A402-Y442 HydrophobicContact CB-CE1 3.64Å |
| 403 | I | 79.4 | Confident | 78.9 | Confident | 28 Ų | 28 | 77.8 Ų | 77.8 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 128.8 | 177.2 | -55.6 | -57.5 | 0 | 0 | 0 | 109.4 | K401 A407 F413 P440 I441 I443 | K401-I403 HydrophobicContact CD-CD1 4.33Å; K401-I403 HydrophobicContact CG-CD1 4.19Å; I403-A407 HydrophobicContact CG2-CB 4.39Å; I403-F413 HydrophobicContact CG1-CZ 4.39Å; I403-P440 WeakPolarHBondContact O-CB 3.44Å; I403-I441 HydrophobicContact CB-CB 4.41Å; I403-I441 PolarHBondContact N-O 3.17Å; I403-I443 HydrophobicContact CD1-CD1 3.65Å; I403-I443 HydrophobicContact CD1-CG1 3.99Å; I403-I443 HydrophobicContact CG1-CD1 4.08Å; I403-I443 HydrophobicContact CG1-CG1 3.99Å |
| 404 | K | 71.6 | Confident | 78.1 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 139 | 176.8 | -72.1 | -177 | -175.7 | 161.9 | 0 | 111 | G382 Q383 A407 | G382-K404 PolarHBondContact O-NZ 3.46Å; G382-K404 VanDerWaalsContact O-NZ 3.09Å; Q383-K404 WeakPolarHBondContact O-CD 3.36Å; Q383-K404 PolarHBondContact O-NZ 2.84Å; K404-A407 VanDerWaalsContact O-CB 3.3Å; K404-A407 WeakPolarHBondContact O-CB 3.45Å; K404-A407 PolarHBondContact O-N 3.44Å |
| 405 | E | 70.1 | Confident | 77.5 | Confident | 153 Ų | 153 | 77.4 Ų | 77.4 | 72% | 0.715 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 138.3 | 176.6 | -165.9 | 163.8 | -146.2 | 0 | 0 | 111.2 | A407 R439 | E405-A407 VanDerWaalsContact C-N 3.32Å; E405-A407 PolarHBondContact O-N 2.91Å; E405-R439 WeakPolarHBondContact OE1-CD 3.44Å; E405-R439 IonicContact OE1-CZ 3.93Å; E405-R439 IonicContact OE1-NE 3.58Å; E405-R439 IonicContact OE1-NH1 3.7Å |
| 406 | G | 62.9 | Low | 77 | Confident | 77 Ų | 77 | 69 Ų | 69 | 79% | 0.794 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 3.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 407 | A | 59.1 | Low | 76.5 | Confident | 58 Ų | 58 | 65.7 Ų | 65.7 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -72 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I403 K404 E405 | I403-A407 HydrophobicContact CG2-CB 4.39Å; K404-A407 VanDerWaalsContact O-CB 3.3Å; K404-A407 WeakPolarHBondContact O-CB 3.45Å; K404-A407 PolarHBondContact O-N 3.44Å; E405-A407 VanDerWaalsContact C-N 3.32Å; E405-A407 PolarHBondContact O-N 2.91Å |
| 408 | M | 61.5 | Low | 75.9 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -152.5 | 160.8 | 177.8 | -81.1 | -163.3 | -104.8 | 0 | 0 | 111 | F413 M513 | M408-F413 HydrophobicContact CE-CD2 4.39Å; M408-M513 HydrophobicContact CE-CE 3.7Å; M408-M513 HydrophobicContact CE-CG 3.97Å |
| 409 | Y | 66.4 | Low | 75.3 | Confident | 191 Ų | 191 | 66.8 Ų | 66.8 | 75% | 0.749 | 34% | 0.342 | S | S | * | . | trans | -70.3 | 136.2 | 167.3 | -68.9 | -77.2 | 0 | 0 | 0 | 109.7 | D412 F413 | Y409-D412 PolarHBondContact O-N 2.84Å; Y409-F413 WeakPolarHBondContact O-CB 3.38Å; Y409-F413 PolarHBondContact O-N 2.93Å | ||
| 410 | E | 66.8 | Low | 74.5 | Confident | 69 Ų | 69 | 66.5 Ų | 66.5 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | -170.5 | -176.8 | 170.3 | 170.1 | 0 | 0 | 113.5 | F413 I414 R439 I441 | E410-F413 PolarHBondContact O-N 3.06Å; E410-I414 HydrophobicContact CG-CD1 4.14Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 3.24Å; E410-R439 IonicContact OE2-CZ 3.16Å; E410-R439 IonicContact OE2-NH2 2.72Å; E410-R439 PolarHBondContact OE2-NH2 3.15Å; E410-I441 HydrophobicContact CG-CD1 3.9Å |
| 411 | E | 69.9 | Low | 74 | Confident | 163 Ų | 163 | 67.1 Ų | 67.1 | 76% | 0.762 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -48.1 | 177.5 | -64.2 | -175.7 | 174.9 | 0 | 0 | 111.3 | F413 I414 E415 | E411-F413 VanDerWaalsContact C-N 3.27Å; E411-F413 PolarHBondContact O-N 2.88Å; E411-I414 PolarHBondContact O-N 3.01Å; E411-E415 PolarHBondContact O-N 3.16Å; E411-E415 VanDerWaalsContact O-N 3.08Å |
| 412 | D | 70.6 | Confident | 73.7 | Confident | 76 Ų | 76 | 72 Ų | 72 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 175.5 | -68 | -14.9 | 0 | 0 | 0 | 111 | Y409 E415 E416 | Y409-D412 PolarHBondContact O-N 2.84Å; D412-E415 PolarHBondContact O-N 3.32Å; D412-E416 WeakPolarHBondContact O-CB 3.26Å; D412-E416 WeakPolarHBondContact O-CG 3.23Å; D412-E416 PolarHBondContact O-N 3.42Å |
| 413 | F | 72.5 | Confident | 73.6 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.8 | 175.4 | -95.1 | 0 | 0 | 0 | 112.5 | I403 M408 Y409 E410 E411 E416 A417 V434 I441 I443 | I403-F413 HydrophobicContact CG1-CZ 4.39Å; M408-F413 HydrophobicContact CE-CD2 4.39Å; Y409-F413 WeakPolarHBondContact O-CB 3.38Å; Y409-F413 PolarHBondContact O-N 2.93Å; E410-F413 PolarHBondContact O-N 3.06Å; E411-F413 VanDerWaalsContact C-N 3.27Å; E411-F413 PolarHBondContact O-N 2.88Å; F413-E416 PolarHBondContact O-N 2.99Å; F413-A417 WeakPolarHBondContact O-CB 3.4Å; F413-A417 PolarHBondContact O-N 2.8Å; F413-V434 HydrophobicContact CE1-CG1 4.16Å; F413-V434 HydrophobicContact CZ-CG1 4.29Å; F413-I441 HydrophobicContact CD1-CD1 4.4Å; F413-I441 HydrophobicContact CD1-CG2 4.17Å; F413-I441 HydrophobicContact CE1-CG2 3.52Å; F413-I441 HydrophobicContact CZ-CG2 4.12Å; F413-I443 HydrophobicContact CE2-CD1 3.8Å; F413-I443 HydrophobicContact CE2-CG1 4.34Å; F413-I443 HydrophobicContact CZ-CD1 3.64Å; F413-I443 HydrophobicContact CZ-CG1 3.67Å |
| 414 | I | 74.5 | Confident | 74 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 179.7 | -69.8 | 167 | 0 | 0 | 0 | 111 | W366 E410 E411 A417 K418 | W366-I414 HydrophobicContact CE3-CG2 4.45Å; W366-I414 HydrophobicContact CH2-CG2 3.62Å; W366-I414 HydrophobicContact CZ2-CG2 4.36Å; W366-I414 HydrophobicContact CZ3-CG1 4.4Å; W366-I414 HydrophobicContact CZ3-CG2 3.67Å; E410-I414 HydrophobicContact CG-CD1 4.14Å; E410-I414 WeakPolarHBondContact O-CG1 3.37Å; E410-I414 PolarHBondContact O-N 3.24Å; E411-I414 PolarHBondContact O-N 3.01Å; I414-A417 PolarHBondContact O-N 2.83Å; I414-K418 HydrophobicContact CG2-CD 4.4Å; I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 2.9Å |
| 415 | E | 76.3 | Confident | 74.8 | Confident | 137 Ų | 137 | 68.2 Ų | 68.2 | 64% | 0.64 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | 176.2 | -70.4 | -167.4 | 169.1 | 0 | 0 | 111.8 | E411 D412 K418 L419 | E411-E415 PolarHBondContact O-N 3.16Å; E411-E415 VanDerWaalsContact O-N 3.08Å; D412-E415 PolarHBondContact O-N 3.32Å; E415-K418 PolarHBondContact O-N 2.83Å; E415-L419 PolarHBondContact O-N 2.91Å |
| 416 | E | 73.9 | Confident | 75.6 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.6 | -73.4 | -178.1 | 177.4 | 0 | 0 | 111.2 | D412 F413 K418 L419 M420 R515 | D412-E416 WeakPolarHBondContact O-CB 3.26Å; D412-E416 WeakPolarHBondContact O-CG 3.23Å; D412-E416 PolarHBondContact O-N 3.42Å; F413-E416 PolarHBondContact O-N 2.99Å; E416-K418 PolarHBondContact O-N 3.44Å; E416-L419 PolarHBondContact O-N 2.96Å; E416-L419 VanDerWaalsContact O-N 3.15Å; E416-M420 WeakPolarHBondContact O-CG 3.44Å; E416-M420 PolarHBondContact O-N 2.75Å; E416-R515 IonicContact OE1-NH1 3.7Å; E416-R515 PolarHBondContact OE1-NH1 2.92Å |
| 417 | A | 77.4 | Confident | 77.1 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F413 I414 L419 M420 M421 V434 | F413-A417 WeakPolarHBondContact O-CB 3.4Å; F413-A417 PolarHBondContact O-N 2.8Å; I414-A417 PolarHBondContact O-N 2.83Å; A417-L419 VanDerWaalsContact C-N 3.3Å; A417-L419 PolarHBondContact O-N 2.83Å; A417-M420 PolarHBondContact O-N 3.04Å; A417-M421 VanDerWaalsContact O-CG 3.31Å; A417-M421 WeakPolarHBondContact O-CG 3.43Å; A417-M421 PolarHBondContact O-N 2.87Å; A417-V434 HydrophobicContact CB-CG1 3.83Å |
| 418 | K | 80.4 | Confident | 78.7 | Confident | 90 Ų | 90 | 60 Ų | 60 | 39% | 0.391 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.5 | -34.5 | 176.6 | -75.7 | 174.3 | 179.9 | 177.5 | 0 | 113 | W366 I414 E415 E416 | W366-K418 HydrophobicContact CD2-CG 4.18Å; W366-K418 HydrophobicContact CE3-CG 4.41Å; W366-K418 HydrophobicContact CG-CG 4.23Å; I414-K418 HydrophobicContact CG2-CD 4.4Å; I414-K418 WeakPolarHBondContact O-CG 3.46Å; I414-K418 PolarHBondContact O-N 2.9Å; E415-K418 PolarHBondContact O-N 2.83Å; E416-K418 PolarHBondContact O-N 3.44Å |
| 419 | L | 81.3 | Confident | 80.2 | Confident | 70 Ų | 70 | 57.2 Ų | 57.2 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -72.7 | -43.9 | 174.4 | -65.1 | 173.3 | 0 | 0 | 0 | 110.8 | E415 E416 A417 M421 K422 F488 Y516 | E415-L419 PolarHBondContact O-N 2.91Å; E416-L419 PolarHBondContact O-N 2.96Å; E416-L419 VanDerWaalsContact O-N 3.15Å; A417-L419 VanDerWaalsContact C-N 3.3Å; A417-L419 PolarHBondContact O-N 2.83Å; L419-M421 VanDerWaalsContact C-N 3.29Å; L419-M421 PolarHBondContact O-N 2.98Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 2.78Å; L419-K422 VanDerWaalsContact O-N 3.16Å; L419-F488 HydrophobicContact CB-CZ 3.97Å; L419-Y516 HydrophobicContact CD1-CD1 4.42Å; L419-Y516 HydrophobicContact CD1-CG 4.23Å |
| 420 | M | 79.5 | Confident | 81.4 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -35 | 177.3 | -74.3 | 167.4 | 23.5 | 0 | 0 | 113.1 | E416 A417 K422 L423 L431 F488 F511 G512 | E416-M420 WeakPolarHBondContact O-CG 3.44Å; E416-M420 PolarHBondContact O-N 2.75Å; A417-M420 PolarHBondContact O-N 3.04Å; M420-K422 PolarHBondContact O-N 2.86Å; M420-L423 VanDerWaalsContact O-CB 3.29Å; M420-L423 WeakPolarHBondContact O-CB 3.48Å; M420-L423 PolarHBondContact O-N 2.86Å; M420-L431 HydrophobicContact CB-CD2 3.83Å; M420-L431 HydrophobicContact CE-CD2 3.58Å; M420-F488 HydrophobicContact CG-CE1 4.07Å; M420-F511 HydrophobicContact CB-CE2 4.3Å; M420-F511 HydrophobicContact CG-CD2 4.32Å; M420-F511 HydrophobicContact CG-CE2 4.41Å; M420-G512 VanDerWaalsContact CE-CA 3.48Å |
| 421 | M | 82.4 | Confident | 82.6 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.9 | 177.4 | -80 | -170.7 | 66.2 | 0 | 0 | 113.5 | W366 A417 L419 L423 L431 Y432 | W366-M421 VanDerWaalsContact CA-SD 3.56Å; W366-M421 HydrophobicContact CB-CE 3.95Å; W366-M421 HydrophobicContact CB-SD 3.38Å; W366-M421 WeakPolarHBondContact CB-SD 3.44Å; A417-M421 VanDerWaalsContact O-CG 3.31Å; A417-M421 WeakPolarHBondContact O-CG 3.43Å; A417-M421 PolarHBondContact O-N 2.87Å; L419-M421 VanDerWaalsContact C-N 3.29Å; L419-M421 PolarHBondContact O-N 2.98Å; M421-L423 VanDerWaalsContact C-N 3.29Å; M421-L431 HydrophobicContact CB-CD2 4.46Å; M421-L431 HydrophobicContact CG-CB 4.45Å; M421-L431 HydrophobicContact CG-CD2 3.5Å; M421-L431 VanDerWaalsContact CG-CD2 3.5Å; M421-L431 HydrophobicContact CG-CG 3.71Å; M421-Y432 WeakPolarHBondContact CE-O 3.44Å |
| 422 | K | 82.4 | Confident | 83.5 | Confident | 124 Ų | 124 | 38.8 Ų | 38.8 | 54% | 0.539 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -16.9 | 176.5 | -63.4 | -179.8 | 177.6 | -173.5 | 0 | 112.5 | N217 L419 M420 S424 | N217-K422 PolarHBondContact ND2-O 3.34Å; L419-K422 WeakPolarHBondContact O-CB 3.5Å; L419-K422 PolarHBondContact O-N 2.78Å; L419-K422 VanDerWaalsContact O-N 3.16Å; M420-K422 PolarHBondContact O-N 2.86Å; K422-S424 PolarHBondContact O-N 2.9Å |
| 423 | L | 86.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | trans | -72.7 | 118.2 | 174.5 | -58.1 | 175.5 | 0 | 0 | 0 | 108.5 | M420 M421 Q430 Y482 L483 N486 F488 F511 | M420-L423 VanDerWaalsContact O-CB 3.29Å; M420-L423 WeakPolarHBondContact O-CB 3.48Å; M420-L423 PolarHBondContact O-N 2.86Å; M421-L423 VanDerWaalsContact C-N 3.29Å; L423-Q430 PolarHBondContact O-NE2 3.32Å; L423-Y482 HydrophobicContact CB-CE1 4.07Å; L423-Y482 HydrophobicContact CD2-CE1 3.8Å; L423-L483 HydrophobicContact CD1-CD2 3.76Å; L423-N486 HydrophobicContact CD2-CB 3.96Å; L423-F488 HydrophobicContact CD1-CD1 4.03Å; L423-F488 HydrophobicContact CD1-CD2 3.91Å; L423-F488 HydrophobicContact CD1-CE1 4Å; L423-F488 HydrophobicContact CD1-CE2 3.89Å; L423-F488 HydrophobicContact CD1-CG 3.98Å; L423-F488 HydrophobicContact CD1-CZ 3.92Å; L423-F488 HydrophobicContact CD2-CD2 3.93Å; L423-F488 HydrophobicContact CD2-CE2 3.81Å; L423-F488 HydrophobicContact CG-CD2 4.45Å; L423-F488 HydrophobicContact CG-CE2 4.16Å; L423-F488 HydrophobicContact CG-CZ 4.39Å; L423-F511 HydrophobicContact CD1-CD2 4.3Å; L423-F511 HydrophobicContact CD1-CE2 4.09Å | ||
| 424 | S | 87.7 | Confident | 85.3 | Confident | 22 Ų | 22 | 34.7 Ų | 34.7 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | trans | -139.3 | 112.2 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | N217 K422 Q430 Y482 | N217-S424 WeakPolarHBondContact OD1-CB 3.36Å; K422-S424 PolarHBondContact O-N 2.9Å; S424-Q430 PolarHBondContact OG-OE1 2.99Å; S424-Y482 PolarHBondContact N-OH 2.95Å; S424-Y482 VanDerWaalsContact N-OH 3.15Å; S424-Y482 PolarHBondContact O-OH 3.09Å | ||
| 425 | H | 88.1 | Confident | 86 | Confident | 43 Ų | 43 | 33.3 Ų | 33.3 | 20% | 0.199 | 16% | 0.164 | C | C | . | . | trans | -151.7 | 140.7 | -178.6 | -172.5 | -98.7 | 0 | 0 | 0 | 110 | K427 L428 Y482 | H425-K427 PolarHBondContact ND1-N 3.16Å; H425-K427 VanDerWaalsContact ND1-N 3.13Å; H425-K427 PolarHBondContact O-N 3Å; H425-L428 HydrophobicContact CB-CB 4.17Å; H425-L428 HydrophobicContact CB-CD1 4.02Å; H425-L428 HydrophobicContact CB-CG 3.91Å; H425-L428 PolarHBondContact O-N 3.5Å; H425-Y482 HydrophobicContact CB-CD1 3.85Å; H425-Y482 HydrophobicContact CB-CD2 4.09Å; H425-Y482 HydrophobicContact CB-CE1 4.05Å; H425-Y482 HydrophobicContact CB-CE2 4.29Å; H425-Y482 HydrophobicContact CB-CG 3.84Å; H425-Y482 AromaticContact CD2-CD2 3.59Å; H425-Y482 AromaticContact CD2-CG 3.79Å; H425-Y482 AromaticContact CG-CG 3.81Å | ||
| 426 | P | 87.4 | Confident | 86.5 | Confident | 90 Ų | 90 | 27.4 Ų | 27.4 | 58% | 0.584 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.7 | -179.3 | -27.4 | 35.9 | 0 | 0 | 0 | 115.1 | K507 | P426-K507 WeakPolarHBondContact O-CE 3.44Š|
| 427 | K | 93.6 | Very high | 86.9 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 13 | 179.4 | -49.3 | -61.9 | 179.9 | 175.5 | 0 | 114.2 | H425 D475 E478 V505 K507 V508 | H425-K427 PolarHBondContact ND1-N 3.16Å; H425-K427 VanDerWaalsContact ND1-N 3.13Å; H425-K427 PolarHBondContact O-N 3Å; K427-D475 WeakPolarHBondContact CB-O 3.48Å; K427-D475 HydrophobicContact CD-CB 4.02Å; K427-D475 VanDerWaalsContact CE-OD1 3.26Å; K427-D475 WeakPolarHBondContact CE-OD1 3.27Å; K427-D475 WeakPolarHBondContact CG-O 3.43Å; K427-D475 VanDerWaalsContact NZ-CG 3.27Å; K427-D475 IonicContact NZ-OD1 3.26Å; K427-D475 PolarHBondContact NZ-OD1 3.32Å; K427-D475 IonicContact NZ-OD2 3.44Å; K427-D475 PolarHBondContact NZ-OD2 3.09Å; K427-E478 HydrophobicContact CB-CB 4.47Å; K427-E478 VanDerWaalsContact CE-OE2 3.25Å; K427-E478 WeakPolarHBondContact CE-OE2 3.4Å; K427-E478 HydrophobicContact CG-CB 3.94Å; K427-V505 HydrophobicContact CD-CG1 3.75Å; K427-K507 CarbonylContact O-C 3.58Å; K427-K507 VanDerWaalsContact O-CA 3.26Å; K427-K507 WeakPolarHBondContact O-CA 3.36Å; K427-V508 PolarHBondContact O-N 3.31Å |
| 428 | L | 93.3 | Very high | 87 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 138.6 | 170.4 | -65.5 | -174.8 | 0 | 0 | 0 | 109.5 | H425 Q430 Y482 L483 V508 F511 | H425-L428 HydrophobicContact CB-CB 4.17Å; H425-L428 HydrophobicContact CB-CD1 4.02Å; H425-L428 HydrophobicContact CB-CG 3.91Å; H425-L428 PolarHBondContact O-N 3.5Å; L428-Q430 PolarHBondContact O-N 2.91Å; L428-Y482 HydrophobicContact CD1-CD1 3.49Å; L428-Y482 VanDerWaalsContact CD1-CD1 3.49Å; L428-Y482 HydrophobicContact CD1-CE1 3.85Å; L428-L483 HydrophobicContact CD1-CD2 3.62Å; L428-L483 HydrophobicContact CD1-CG 4.01Å; L428-L483 HydrophobicContact CD2-CD1 4.1Å; L428-L483 HydrophobicContact CD2-CD2 4.42Å; L428-L483 HydrophobicContact CD2-CG 4.08Å; L428-V508 HydrophobicContact CD2-CB 3.74Å; L428-V508 HydrophobicContact CD2-CG1 4.49Å; L428-V508 HydrophobicContact CD2-CG2 4.34Å; L428-F511 HydrophobicContact CB-CE1 4.23Å |
| 429 | V | 93.3 | Very high | 87.1 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 118.2 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 108.6 | L431 T445 E446 M448 L499 K507 V508 F511 | V429-L431 PolarHBondContact O-N 3.47Å; V429-T445 HydrophobicContact CG1-CG2 4.43Å; V429-E446 WeakPolarHBondContact CA-OE1 3.19Å; V429-E446 HydrophobicContact CG1-CG 3.76Å; V429-M448 HydrophobicContact CG2-CE 4.46Å; V429-M448 HydrophobicContact CG2-CG 4.15Å; V429-M448 HydrophobicContact CG2-SD 4.36Å; V429-L499 HydrophobicContact CG2-CB 4.28Å; V429-L499 HydrophobicContact CG2-CD1 4.15Å; V429-L499 HydrophobicContact CG2-CG 4.45Å; V429-K507 HydrophobicContact CG2-CB 3.69Å; V429-V508 PolarHBondContact N-O 3.36Å; V429-F511 WeakPolarHBondContact O-CE1 2.93Å; V429-F511 WeakPolarHBondContact O-CZ 3.27Å |
| 430 | Q | 91.9 | Very high | 87.2 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 126.6 | -176.2 | -171.4 | 58.1 | 60.6 | 0 | 0 | 111.3 | T358 L423 S424 L428 Y432 T445 E446 | T358-Q430 WeakPolarHBondContact O-CG 3.37Å; L423-Q430 PolarHBondContact O-NE2 3.32Å; S424-Q430 PolarHBondContact OG-OE1 2.99Å; L428-Q430 PolarHBondContact O-N 2.91Å; Q430-Y432 HydrophobicContact CB-CE1 4.26Å; Q430-Y432 HydrophobicContact CG-CD1 3.97Å; Q430-Y432 HydrophobicContact CG-CE1 3.74Å; Q430-T445 CarbonylContact O-C 3.45Å; Q430-T445 VanDerWaalsContact O-CA 3.23Å; Q430-T445 WeakPolarHBondContact O-CA 3.44Å; Q430-T445 WeakPolarHBondContact O-CB 3.39Å; Q430-E446 HydrophobicContact CB-CB 4.44Å; Q430-E446 HydrophobicContact CB-CG 4.3Å; Q430-E446 PolarHBondContact N-OE1 3.04Å; Q430-E446 PolarHBondContact O-N 2.87Å |
| 431 | L | 90.9 | Very high | 87.5 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 121.4 | 167.2 | 178.7 | 63.6 | 0 | 0 | 0 | 109.2 | M420 M421 V429 I443 V444 T445 | M420-L431 HydrophobicContact CB-CD2 3.83Å; M420-L431 HydrophobicContact CE-CD2 3.58Å; M421-L431 HydrophobicContact CB-CD2 4.46Å; M421-L431 HydrophobicContact CG-CB 4.45Å; M421-L431 HydrophobicContact CG-CD2 3.5Å; M421-L431 VanDerWaalsContact CG-CD2 3.5Å; M421-L431 HydrophobicContact CG-CG 3.71Å; V429-L431 PolarHBondContact O-N 3.47Å; L431-I443 HydrophobicContact CD1-CG2 3.26Å; L431-V444 WeakPolarHBondContact CD1-O 3.47Å; L431-T445 HydrophobicContact CD1-CG2 3.99Å |
| 432 | Y | 90.5 | Very high | 87.8 | Confident | 28 Ų | 28 | 38.7 Ų | 38.7 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -30 | 178.1 | -66.2 | -44 | 0 | 0 | 0 | 113.2 | S357 G360 F361 V398 M421 Q430 V444 E446 | S357-Y432 PolarHBondContact OG-OH 3.2Å; G360-Y432 WeakPolarHBondContact CA-O 3.39Å; F361-Y432 HydrophobicContact CD1-CD1 4.48Å; F361-Y432 HydrophobicContact CD1-CG 4.47Å; F361-Y432 HydrophobicContact CE1-CD1 4.19Å; F361-Y432 AromaticContact CE1-CD2 3.92Å; F361-Y432 HydrophobicContact CE1-CD2 3.92Å; F361-Y432 HydrophobicContact CE1-CE2 4.26Å; F361-Y432 AromaticContact CE1-CG 3.88Å; F361-Y432 HydrophobicContact CE1-CG 3.88Å; F361-Y432 HydrophobicContact CE2-CD2 4.4Å; F361-Y432 HydrophobicContact CE2-CG 4.15Å; F361-Y432 HydrophobicContact CZ-CD1 4.45Å; F361-Y432 AromaticContact CZ-CD2 3.62Å; F361-Y432 HydrophobicContact CZ-CD2 3.62Å; F361-Y432 HydrophobicContact CZ-CE2 4.32Å; F361-Y432 AromaticContact CZ-CG 3.7Å; F361-Y432 HydrophobicContact CZ-CG 3.7Å; V398-Y432 HydrophobicContact CG1-CD2 3.96Å; V398-Y432 HydrophobicContact CG1-CE2 4.16Å; M421-Y432 WeakPolarHBondContact CE-O 3.44Å; Q430-Y432 HydrophobicContact CB-CE1 4.26Å; Q430-Y432 HydrophobicContact CG-CD1 3.97Å; Q430-Y432 HydrophobicContact CG-CE1 3.74Å; Y432-V444 PolarHBondContact N-O 3.37Å; Y432-E446 HydrophobicContact CE2-CB 3.94Å |
| 433 | G | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167 | -178 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W366 V444 | W366-G433 VanDerWaalsContact O-CA 3.27Å; W366-G433 WeakPolarHBondContact O-CA 3.35Å; G433-V444 PolarHBondContact N-O 3.28Å; G433-V444 PolarHBondContact O-N 3.15Å |
| 434 | V | 89.8 | Confident | 88.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.9 | 177.7 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | W366 E367 I368 F413 A417 Y442 I443 | W366-V434 HydrophobicContact CE3-CG2 3.49Å; W366-V434 VanDerWaalsContact CE3-CG2 3.49Å; W366-V434 HydrophobicContact CZ3-CG2 3.47Å; W366-V434 VanDerWaalsContact CZ3-CG2 3.47Å; W366-V434 PolarHBondContact O-N 3.36Å; E367-V434 CarbonylContact C-O 3.57Å; E367-V434 WeakPolarHBondContact CA-O 3.15Å; I368-V434 PolarHBondContact N-O 3.33Å; F413-V434 HydrophobicContact CE1-CG1 4.16Å; F413-V434 HydrophobicContact CZ-CG1 4.29Å; A417-V434 HydrophobicContact CB-CG1 3.83Å; V434-Y442 CarbonylContact C-O 3.56Å; V434-Y442 VanDerWaalsContact CA-O 3.22Å; V434-Y442 WeakPolarHBondContact CA-O 3.34Å; V434-I443 HydrophobicContact CG1-CG1 4.45Å |
| 435 | C | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 99.8 | 170 | -57 | 0 | 0 | 0 | 0 | 108.7 | I368 P370 L373 I441 Y442 | I368-C435 PolarHBondContact O-SG 3.28Å; P370-C435 HydrophobicContact CG-CB 4.21Å; L373-C435 WeakPolarHBondContact CD1-SG 3.31Å; C435-I441 WeakPolarHBondContact O-CA 3.31Å; C435-Y442 HydrophobicContact CB-CD2 4.02Å; C435-Y442 HydrophobicContact CB-CG 4.5Å; C435-Y442 PolarHBondContact N-O 3.26Å; C435-Y442 PolarHBondContact O-N 3.33Å; C435-Y442 VanDerWaalsContact O-N 3.13Å |
| 436 | S | 86.1 | Confident | 88.9 | Confident | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | trans | -96.5 | -16.7 | 177.4 | 27.9 | 0 | 0 | 0 | 0 | 113.9 | E367 Q438 | E367-S436 PolarHBondContact OE1-OG 2.99Å; S436-Q438 PolarHBondContact O-N 3.47Å | ||
| 437 | Q | 82.4 | Confident | 89.1 | Confident | 118 Ų | 118 | 29.6 Ų | 29.6 | 55% | 0.551 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -67.4 | -18 | -173.2 | -56.3 | -176.8 | -10.1 | 0 | 0 | 114.6 | E367 | E367-Q437 VanDerWaalsContact CD-NE2 3.34Å; E367-Q437 HydrophobicContact CG-CG 4.29Å; E367-Q437 WeakPolarHBondContact OE1-CG 3.47Å; E367-Q437 PolarHBondContact OE2-NE2 3.18Å |
| 438 | Q | 80.4 | Confident | 89.1 | Confident | 90 Ų | 90 | 29 Ų | 29 | 42% | 0.421 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -140.5 | 156.2 | 177.9 | 71.2 | -180 | 14.7 | 0 | 0 | 111.3 | P370 S436 P440 Y442 | P370-Q438 VanDerWaalsContact CB-CD 3.45Å; P370-Q438 HydrophobicContact CB-CG 4.13Å; P370-Q438 VanDerWaalsContact CG-CD 3.47Å; P370-Q438 HydrophobicContact CG-CG 3.63Å; S436-Q438 PolarHBondContact O-N 3.47Å; Q438-P440 CarbonylContact O-C 3.53Å; Q438-Y442 HydrophobicContact CG-CE2 4.5Å |
| 439 | R | 81.7 | Confident | 89 | Confident | 144 Ų | 144 | 32.7 Ų | 32.7 | 54% | 0.543 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -93.1 | 146.8 | 173.4 | -68 | -170.1 | -174 | -82 | -16.7 | 111.6 | E405 E410 | E405-R439 WeakPolarHBondContact OE1-CD 3.44Å; E405-R439 IonicContact OE1-CZ 3.93Å; E405-R439 IonicContact OE1-NE 3.58Å; E405-R439 IonicContact OE1-NH1 3.7Å; E410-R439 IonicContact OE2-CZ 3.16Å; E410-R439 IonicContact OE2-NH2 2.72Å; E410-R439 PolarHBondContact OE2-NH2 3.15Å |
| 440 | P | 82.9 | Confident | 88.9 | Confident | 53 Ų | 53 | 35.7 Ų | 35.7 | 34% | 0.344 | 17% | 0.168 | S | C | . | . | S | Bend | cis | -67.9 | 155.3 | -10.7 | 30.5 | -35.2 | 0 | 0 | 0 | 111.8 | A402 I403 Q438 Y442 | A402-P440 HydrophobicContact CB-CG 4.11Å; I403-P440 WeakPolarHBondContact O-CB 3.44Å; Q438-P440 CarbonylContact O-C 3.53Å; P440-Y442 WeakPolarHBondContact CD-OH 3.29Å; P440-Y442 HydrophobicContact CG-CE1 3.93Å; P440-Y442 VanDerWaalsContact O-CD2 3.3Å; P440-Y442 WeakPolarHBondContact O-CD2 3.43Å; P440-Y442 WeakPolarHBondContact O-CE2 3.46Å |
| 441 | I | 85.4 | Confident | 89 | Confident | 17 Ų | 17 | 36.9 Ų | 36.9 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 138.2 | 173.8 | -63.7 | 172.2 | 0 | 0 | 0 | 108.6 | I403 E410 F413 C435 | I403-I441 HydrophobicContact CB-CB 4.41Å; I403-I441 PolarHBondContact N-O 3.17Å; E410-I441 HydrophobicContact CG-CD1 3.9Å; F413-I441 HydrophobicContact CD1-CD1 4.4Å; F413-I441 HydrophobicContact CD1-CG2 4.17Å; F413-I441 HydrophobicContact CE1-CG2 3.52Å; F413-I441 HydrophobicContact CZ-CG2 4.12Å; C435-I441 WeakPolarHBondContact O-CA 3.31Å |
| 442 | Y | 88.9 | Confident | 89.1 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.7 | 176 | -57.5 | -74.4 | 0 | 0 | 0 | 112.2 | F375 I400 K401 A402 V434 C435 Q438 P440 | F375-Y442 HydrophobicContact CE1-CD1 4.19Å; F375-Y442 AromaticContact CE1-CE1 3.83Å; F375-Y442 HydrophobicContact CE1-CE1 3.83Å; F375-Y442 HydrophobicContact CZ-CD1 4.36Å; F375-Y442 HydrophobicContact CZ-CD2 4.38Å; F375-Y442 AromaticContact CZ-CE1 3.97Å; F375-Y442 HydrophobicContact CZ-CE1 3.97Å; F375-Y442 HydrophobicContact CZ-CE2 4.03Å; F375-Y442 AromaticContact CZ-CZ 3.8Å; I400-Y442 HydrophobicContact CG2-CD1 3.74Å; I400-Y442 HydrophobicContact CG2-CG 4.01Å; K401-Y442 CarbonylContact O-C 3.55Å; K401-Y442 WeakPolarHBondContact O-CA 3.31Å; A402-Y442 HydrophobicContact CB-CD1 3.85Å; A402-Y442 HydrophobicContact CB-CE1 3.64Å; V434-Y442 CarbonylContact C-O 3.56Å; V434-Y442 VanDerWaalsContact CA-O 3.22Å; V434-Y442 WeakPolarHBondContact CA-O 3.34Å; C435-Y442 HydrophobicContact CB-CD2 4.02Å; C435-Y442 HydrophobicContact CB-CG 4.5Å; C435-Y442 PolarHBondContact N-O 3.26Å; C435-Y442 PolarHBondContact O-N 3.33Å; C435-Y442 VanDerWaalsContact O-N 3.13Å; Q438-Y442 HydrophobicContact CG-CE2 4.5Å; P440-Y442 WeakPolarHBondContact CD-OH 3.29Å; P440-Y442 HydrophobicContact CG-CE1 3.93Å; P440-Y442 VanDerWaalsContact O-CD2 3.3Å; P440-Y442 WeakPolarHBondContact O-CD2 3.43Å; P440-Y442 WeakPolarHBondContact O-CE2 3.46Å |
| 443 | I | 89.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.9 | 166.3 | -58.3 | -174.6 | 0 | 0 | 0 | 107.8 | I400 K401 I403 F413 L431 V434 T445 | I400-I443 WeakPolarHBondContact CA-O 3.42Å; K401-I443 HydrophobicContact CB-CB 4.36Å; K401-I443 PolarHBondContact N-O 3Å; K401-I443 PolarHBondContact O-N 3.47Å; I403-I443 HydrophobicContact CD1-CD1 3.65Å; I403-I443 HydrophobicContact CD1-CG1 3.99Å; I403-I443 HydrophobicContact CG1-CD1 4.08Å; I403-I443 HydrophobicContact CG1-CG1 3.99Å; F413-I443 HydrophobicContact CE2-CD1 3.8Å; F413-I443 HydrophobicContact CE2-CG1 4.34Å; F413-I443 HydrophobicContact CZ-CD1 3.64Å; F413-I443 HydrophobicContact CZ-CG1 3.67Å; L431-I443 HydrophobicContact CD1-CG2 3.26Å; V434-I443 HydrophobicContact CG1-CG1 4.45Å; I443-T445 HydrophobicContact CG2-CG2 3.98Å |
| 444 | V | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 119.8 | -179.3 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | I368 L373 V398 A399 L431 Y432 G433 | I368-V444 HydrophobicContact CD1-CB 3.64Å; I368-V444 HydrophobicContact CD1-CG1 4.02Å; I368-V444 HydrophobicContact CD1-CG2 3.7Å; L373-V444 HydrophobicContact CD1-CG2 3.83Å; L373-V444 HydrophobicContact CD2-CG1 4.37Å; L373-V444 HydrophobicContact CD2-CG2 4.22Å; V398-V444 HydrophobicContact CB-CG1 3.67Å; V398-V444 HydrophobicContact CG1-CG1 3.78Å; V398-V444 HydrophobicContact CG2-CG1 3.91Å; A399-V444 WeakPolarHBondContact O-CA 3.45Å; L431-V444 WeakPolarHBondContact CD1-O 3.47Å; Y432-V444 PolarHBondContact N-O 3.37Å; G433-V444 PolarHBondContact N-O 3.28Å; G433-V444 PolarHBondContact O-N 3.15Å |
| 445 | T | 93.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 40.5 Ų | 40.5 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 168 | -175.9 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | V398 A399 V429 Q430 L431 I443 | V398-T445 WeakPolarHBondContact CA-O 3.42Å; A399-T445 PolarHBondContact N-O 3.46Å; A399-T445 PolarHBondContact O-N 3.04Å; A399-T445 PolarHBondContact O-OG1 3.34Å; V429-T445 HydrophobicContact CG1-CG2 4.43Å; Q430-T445 CarbonylContact O-C 3.45Å; Q430-T445 VanDerWaalsContact O-CA 3.23Å; Q430-T445 WeakPolarHBondContact O-CA 3.44Å; Q430-T445 WeakPolarHBondContact O-CB 3.39Å; L431-T445 HydrophobicContact CD1-CG2 3.99Å; I443-T445 HydrophobicContact CG2-CG2 3.98Å |
| 446 | E | 91.9 | Very high | 90.2 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 143.9 | 169.1 | 70.6 | 176.8 | 120.2 | 0 | 0 | 111.7 | S357 V429 Q430 Y432 M448 K507 | S357-E446 PolarHBondContact OG-OE2 3.37Å; V429-E446 WeakPolarHBondContact CA-OE1 3.19Å; V429-E446 HydrophobicContact CG1-CG 3.76Å; Q430-E446 HydrophobicContact CB-CB 4.44Å; Q430-E446 HydrophobicContact CB-CG 4.3Å; Q430-E446 PolarHBondContact N-OE1 3.04Å; Q430-E446 PolarHBondContact O-N 2.87Å; Y432-E446 HydrophobicContact CE2-CB 3.94Å; E446-M448 HydrophobicContact CG-SD 3.97Å; E446-K507 IonicContact OE1-NZ 2.75Å; E446-K507 PolarHBondContact OE1-NZ 3.26Å; E446-K507 IonicContact OE2-NZ 3.29Å; E446-K507 PolarHBondContact OE2-NZ 3.42Å |
| 447 | F | 93.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 17% | 0.167 | 20% | 0.201 | C | C | . | . | trans | -85.2 | 123.2 | 178.1 | 174.4 | -118.6 | 0 | 0 | 0 | 110.9 | L379 L389 K397 Q449 | L379-F447 HydrophobicContact CD1-CD2 3.91Å; L379-F447 HydrophobicContact CD1-CE2 3.63Å; L379-F447 HydrophobicContact CD2-CE2 3.95Å; L379-F447 HydrophobicContact CG-CE2 4.45Å; L389-F447 HydrophobicContact CD1-CB 4.41Å; L389-F447 HydrophobicContact CD1-CD1 3.92Å; L389-F447 HydrophobicContact CD1-CD2 3.65Å; L389-F447 HydrophobicContact CD1-CE1 4.06Å; L389-F447 HydrophobicContact CD1-CE2 3.84Å; L389-F447 HydrophobicContact CD1-CG 3.7Å; L389-F447 HydrophobicContact CD1-CZ 4.04Å; K397-F447 HydrophobicContact CB-CB 4.31Å; K397-F447 HydrophobicContact CB-CD1 4.45Å; K397-F447 HydrophobicContact CD-CD1 4.45Å; F447-Q449 HydrophobicContact CD1-CG 4.03Å; F447-Q449 HydrophobicContact CE1-CB 4.3Å; F447-Q449 HydrophobicContact CE1-CG 3.73Å; F447-Q449 PolarHBondContact O-OE1 2.88Å | ||
| 448 | M | 93.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 4% | 0.044 | 20% | 0.196 | C | C | . | . | trans | -103.3 | 107.8 | -179.5 | -58.7 | -65.3 | -72.8 | 0 | 0 | 110.3 | V429 E446 Q450 G451 L499 M500 N501 K507 | V429-M448 HydrophobicContact CG2-CE 4.46Å; V429-M448 HydrophobicContact CG2-CG 4.15Å; V429-M448 HydrophobicContact CG2-SD 4.36Å; E446-M448 HydrophobicContact CG-SD 3.97Å; M448-Q450 PolarHBondContact O-N 3.24Å; M448-G451 PolarHBondContact O-N 2.92Å; M448-L499 HydrophobicContact CB-CB 3.62Å; M448-L499 HydrophobicContact CB-CD1 3.96Å; M448-L499 HydrophobicContact CB-CG 4.37Å; M448-L499 HydrophobicContact CE-CB 3.94Å; M448-L499 WeakPolarHBondContact CE-O 3.34Å; M448-L499 HydrophobicContact CG-CB 3.59Å; M448-L499 HydrophobicContact CG-CD1 3.72Å; M448-L499 HydrophobicContact CG-CG 4.3Å; M448-M500 CarbonylContact C-O 3.59Å; M448-N501 HydrophobicContact CE-CB 3.88Å; M448-N501 HydrophobicContact SD-CB 4.18Å; M448-K507 HydrophobicContact CE-CB 3.83Å; M448-K507 HydrophobicContact CE-CD 3.79Å; M448-K507 HydrophobicContact CE-CG 3.69Å; M448-K507 HydrophobicContact SD-CD 4.11Å | ||
| 449 | Q | 91.6 | Very high | 92 | Very high | 81 Ų | 81 | 43.1 Ų | 43.1 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -32.7 | -163.6 | -61.6 | 93.1 | -28.6 | 0 | 0 | 114.5 | F447 G451 M500 D502 | F447-Q449 HydrophobicContact CD1-CG 4.03Å; F447-Q449 HydrophobicContact CE1-CB 4.3Å; F447-Q449 HydrophobicContact CE1-CG 3.73Å; F447-Q449 PolarHBondContact O-OE1 2.88Å; Q449-G451 VanDerWaalsContact C-N 3.27Å; Q449-M500 PolarHBondContact N-O 2.77Å; Q449-D502 VanDerWaalsContact CB-CG 3.48Å; Q449-D502 WeakPolarHBondContact CB-OD1 3.36Å; Q449-D502 WeakPolarHBondContact CG-OD2 3.49Å; Q449-D502 PolarHBondContact NE2-OD2 3.33Å; Q449-D502 VanDerWaalsContact NE2-OD2 3.1Å |
| 450 | Q | 91.4 | Very high | 92.5 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1 | -178.3 | -55.7 | -60 | -42.9 | 0 | 0 | 112.2 | M448 Y456 M500 N501 D502 | M448-Q450 PolarHBondContact O-N 3.24Å; Q450-Y456 HydrophobicContact CB-CD2 4.03Å; Q450-Y456 HydrophobicContact CB-CE2 4.29Å; Q450-Y456 HydrophobicContact CG-CE2 4.49Å; Q450-M500 HydrophobicContact CB-CB 3.89Å; Q450-M500 HydrophobicContact CB-CG 3.99Å; Q450-M500 WeakPolarHBondContact CB-O 3.41Å; Q450-M500 HydrophobicContact CB-SD 4.38Å; Q450-M500 HydrophobicContact CG-CG 4.23Å; Q450-M500 PolarHBondContact N-O 3.3Å; Q450-N501 WeakPolarHBondContact CG-O 3.31Å; Q450-D502 PolarHBondContact NE2-OD1 3.16Å |
| 451 | G | 92.8 | Very high | 93 | Very high | 30 Ų | 30 | 47.2 Ų | 47.2 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.7 | -154.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M448 Q449 L499 M500 | M448-G451 PolarHBondContact O-N 2.92Å; Q449-G451 VanDerWaalsContact C-N 3.27Å; G451-L499 CarbonylContact O-C 3.55Å; G451-L499 VanDerWaalsContact O-CA 3.31Å; G451-L499 WeakPolarHBondContact O-CA 3.45Å; G451-M500 PolarHBondContact O-N 3.31Å |
| 452 | C | 94.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 146.1 | -176.7 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | V454 N455 Y456 R496 C498 L499 | C452-V454 VanDerWaalsContact C-N 3.33Å; C452-V454 PolarHBondContact O-N 2.98Å; C452-N455 PolarHBondContact O-N 3.47Å; C452-N455 VanDerWaalsContact O-N 3.11Å; C452-N455 VanDerWaalsContact SG-CG 3.52Å; C452-N455 PolarHBondContact SG-ND2 3.06Å; C452-Y456 PolarHBondContact O-N 3.23Å; C452-R496 WeakPolarHBondContact CB-O 3.49Å; C452-C498 CarbonylContact C-O 3.57Å; C452-C498 VanDerWaalsContact CA-O 3.27Å; C452-C498 WeakPolarHBondContact CA-O 3.46Å; C452-L499 HydrophobicContact CB-CD2 3.72Å |
| 453 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -41.4 | -173.4 | 177.9 | 63.4 | 0 | 0 | 0 | 112.1 | N455 Y456 L457 M472 A495 C498 M500 V506 V561 | L453-N455 VanDerWaalsContact C-N 3.31Å; L453-N455 PolarHBondContact O-N 3.5Å; L453-Y456 WeakPolarHBondContact O-CB 3.29Å; L453-Y456 PolarHBondContact O-N 2.92Å; L453-L457 HydrophobicContact CD1-CD1 4.16Å; L453-L457 HydrophobicContact CD1-CD2 4.49Å; L453-L457 HydrophobicContact CD1-CG 4.04Å; L453-L457 HydrophobicContact CG-CD1 3.9Å; L453-L457 HydrophobicContact CG-CG 4.28Å; L453-L457 WeakPolarHBondContact O-CB 3.45Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.44Å; L453-L457 PolarHBondContact O-N 3.15Å; L453-M472 HydrophobicContact CD1-SD 3.69Å; L453-A495 WeakPolarHBondContact CB-O 3.48Å; L453-A495 HydrophobicContact CD2-CB 4.42Å; L453-A495 PolarHBondContact N-O 2.61Å; L453-C498 HydrophobicContact CB-CB 4.02Å; L453-C498 HydrophobicContact CD2-CB 4.12Å; L453-C498 PolarHBondContact N-O 2.77Å; L453-M500 HydrophobicContact CD1-CE 3.93Å; L453-V506 HydrophobicContact CD1-CG2 4.15Å; L453-V506 HydrophobicContact CD2-CG1 4.11Å; L453-V561 HydrophobicContact CD2-CG2 3.92Å |
| 454 | V | 95.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -39.9 | 177.9 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | C452 R458 A495 R496 | C452-V454 VanDerWaalsContact C-N 3.33Å; C452-V454 PolarHBondContact O-N 2.98Å; V454-R458 VanDerWaalsContact O-CG 3.26Å; V454-R458 WeakPolarHBondContact O-CG 3.38Å; V454-R458 PolarHBondContact O-N 3.15Å; V454-A495 HydrophobicContact CB-CB 4Å; V454-A495 PolarHBondContact N-O 3.35Å; V454-A495 VanDerWaalsContact N-O 3.16Å; V454-R496 HydrophobicContact CG1-CB 3.97Å |
| 455 | N | 94.6 | Very high | 93.1 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.1 | -40.2 | 178.4 | -75.3 | -12.3 | 0 | 0 | 0 | 110.5 | C452 L453 R458 Q459 | C452-N455 PolarHBondContact O-N 3.47Å; C452-N455 VanDerWaalsContact O-N 3.11Å; C452-N455 VanDerWaalsContact SG-CG 3.52Å; C452-N455 PolarHBondContact SG-ND2 3.06Å; L453-N455 VanDerWaalsContact C-N 3.31Å; L453-N455 PolarHBondContact O-N 3.5Å; N455-R458 PolarHBondContact O-N 3.15Å; N455-Q459 WeakPolarHBondContact O-CB 3.4Å; N455-Q459 WeakPolarHBondContact O-CG 3.21Å; N455-Q459 PolarHBondContact O-N 3.43Å |
| 456 | Y | 94.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 175.9 | -173.3 | -89.7 | 0 | 0 | 0 | 111.9 | Q450 C452 L453 Q459 R460 F464 M472 M500 M504 | Q450-Y456 HydrophobicContact CB-CD2 4.03Å; Q450-Y456 HydrophobicContact CB-CE2 4.29Å; Q450-Y456 HydrophobicContact CG-CE2 4.49Å; C452-Y456 PolarHBondContact O-N 3.23Å; L453-Y456 WeakPolarHBondContact O-CB 3.29Å; L453-Y456 PolarHBondContact O-N 2.92Å; Y456-Q459 PolarHBondContact O-N 3.36Å; Y456-R460 VanDerWaalsContact CZ-CD 3.49Å; Y456-R460 PolarHBondContact O-N 2.84Å; Y456-R460 WeakPolarHBondContact OH-CD 3.38Å; Y456-R460 PolarHBondContact OH-NE 2.83Å; Y456-F464 HydrophobicContact CD1-CE1 4.38Å; Y456-F464 HydrophobicContact CD1-CZ 4.03Å; Y456-F464 AromaticContact CE1-CE1 3.75Å; Y456-F464 HydrophobicContact CE1-CE1 3.75Å; Y456-F464 AromaticContact CE1-CZ 3.77Å; Y456-F464 HydrophobicContact CE1-CZ 3.77Å; Y456-M472 HydrophobicContact CE1-CE 4.22Å; Y456-M500 HydrophobicContact CD1-CE 4.06Å; Y456-M500 HydrophobicContact CD1-SD 3.93Å; Y456-M500 HydrophobicContact CD2-SD 3.95Å; Y456-M500 HydrophobicContact CE1-CE 4.18Å; Y456-M500 HydrophobicContact CE1-SD 3.83Å; Y456-M500 HydrophobicContact CE2-SD 3.84Å; Y456-M500 HydrophobicContact CG-SD 4.01Å; Y456-M504 HydrophobicContact CE1-CE 3.87Å; Y456-M504 HydrophobicContact CE2-CE 4.44Å; Y456-M504 HydrophobicContact CE2-SD 4.23Å; Y456-M504 VanDerWaalsContact CZ-CE 3.48Å; Y456-M504 WeakPolarHBondContact OH-CE 3.49Å; Y456-M504 PolarHBondContact OH-SD 3.44Å |
| 457 | L | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 177.2 | -70.5 | 166.8 | 0 | 0 | 0 | 111.6 | L453 Q459 R460 R461 F464 L469 M472 V561 | L453-L457 HydrophobicContact CD1-CD1 4.16Å; L453-L457 HydrophobicContact CD1-CD2 4.49Å; L453-L457 HydrophobicContact CD1-CG 4.04Å; L453-L457 HydrophobicContact CG-CD1 3.9Å; L453-L457 HydrophobicContact CG-CG 4.28Å; L453-L457 WeakPolarHBondContact O-CB 3.45Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.44Å; L453-L457 PolarHBondContact O-N 3.15Å; L457-Q459 VanDerWaalsContact C-N 3.35Å; L457-Q459 PolarHBondContact O-N 3.33Å; L457-R460 CarbonylContact O-C 3.57Å; L457-R460 PolarHBondContact O-N 3.28Å; L457-R461 PolarHBondContact O-N 2.7Å; L457-R461 VanDerWaalsContact O-N 3.08Å; L457-F464 HydrophobicContact CD2-CD2 4.28Å; L457-F464 HydrophobicContact CD2-CE2 3.93Å; L457-F464 HydrophobicContact CD2-CZ 4.16Å; L457-L469 HydrophobicContact CD2-CD2 3.74Å; L457-M472 HydrophobicContact CD2-SD 4.11Å; L457-V561 HydrophobicContact CD1-CB 4.48Å; L457-V561 HydrophobicContact CD1-CG2 4.24Å |
| 458 | R | 96.5 | Very high | 92.3 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 44% | 0.438 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | -178.7 | -73.9 | 172 | 179.2 | 170.5 | 2.6 | 113.2 | V454 N455 R460 G565 | V454-R458 VanDerWaalsContact O-CG 3.26Å; V454-R458 WeakPolarHBondContact O-CG 3.38Å; V454-R458 PolarHBondContact O-N 3.15Å; N455-R458 PolarHBondContact O-N 3.15Å; R458-R460 PolarHBondContact O-N 3.06Å; R458-G565 VanDerWaalsContact CZ-O 3.24Å; R458-G565 PolarHBondContact NE-O 3.28Å; R458-G565 PolarHBondContact NH2-O 3.06Å |
| 459 | Q | 94.8 | Very high | 92.4 | Very high | 153 Ų | 153 | 54.8 Ų | 54.8 | 72% | 0.715 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.7 | -22.3 | -179.1 | -73.9 | 171.6 | 17.9 | 0 | 0 | 113 | N455 Y456 L457 | N455-Q459 WeakPolarHBondContact O-CB 3.4Å; N455-Q459 WeakPolarHBondContact O-CG 3.21Å; N455-Q459 PolarHBondContact O-N 3.43Å; Y456-Q459 PolarHBondContact O-N 3.36Å; L457-Q459 VanDerWaalsContact C-N 3.35Å; L457-Q459 PolarHBondContact O-N 3.33Å |
| 460 | R | 91.8 | Very high | 92.4 | Very high | 118 Ų | 118 | 51 Ų | 51 | 45% | 0.445 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 22.3 | -174.5 | -69.2 | 179.7 | -176 | -110.2 | 5.4 | 112.4 | Y456 L457 R458 G462 S463 F464 | Y456-R460 VanDerWaalsContact CZ-CD 3.49Å; Y456-R460 PolarHBondContact O-N 2.84Å; Y456-R460 WeakPolarHBondContact OH-CD 3.38Å; Y456-R460 PolarHBondContact OH-NE 2.83Å; L457-R460 CarbonylContact O-C 3.57Å; L457-R460 PolarHBondContact O-N 3.28Å; R458-R460 PolarHBondContact O-N 3.06Å; R460-G462 PolarHBondContact O-N 3.09Å; R460-S463 WeakPolarHBondContact O-CB 3.12Å; R460-S463 PolarHBondContact O-N 2.99Å; R460-S463 VanDerWaalsContact O-N 3.08Å; R460-S463 PolarHBondContact O-OG 2.96Å; R460-F464 HydrophobicContact CB-CE1 4.31Å; R460-F464 HydrophobicContact CB-CE2 3.7Å; R460-F464 HydrophobicContact CB-CZ 3.43Å; R460-F464 VanDerWaalsContact CB-CZ 3.43Å; R460-F464 HydrophobicContact CG-CZ 4.44Å; R460-F464 WeakPolarHBondContact O-CE2 3.33Å |
| 461 | R | 93.1 | Very high | 92.3 | Very high | 166 Ų | 166 | 48.5 Ų | 48.5 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 133.8 | -178.6 | -165.8 | 178.4 | -171.5 | -174.1 | 5.4 | 111.3 | L457 E564 | L457-R461 PolarHBondContact O-N 2.7Å; L457-R461 VanDerWaalsContact O-N 3.08Å; R461-E564 HydrophobicContact CG-CB 3.91Å; R461-E564 HydrophobicContact CG-CG 4.48Å; R461-E564 WeakPolarHBondContact CG-OE2 3.37Å; R461-E564 IonicContact NE-OE2 3.59Å |
| 462 | G | 90.4 | Very high | 92.4 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 3.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | R460 E564 | R460-G462 PolarHBondContact O-N 3.09Å; G462-E564 PolarHBondContact N-OE1 2.96Å; G462-E564 PolarHBondContact N-OE2 2.96Å |
| 463 | S | 89.4 | Confident | 92.5 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 56% | 0.559 | 24% | 0.24 | S | C | * | . | trans | -108.7 | -0.2 | -180 | 73 | 0 | 0 | 0 | 0 | 114.8 | R460 | R460-S463 WeakPolarHBondContact O-CB 3.12Å; R460-S463 PolarHBondContact O-N 2.99Å; R460-S463 VanDerWaalsContact O-N 3.08Å; R460-S463 PolarHBondContact O-OG 2.96Å | ||
| 464 | F | 89.5 | Confident | 92.4 | Very high | 19 Ų | 19 | 46.7 Ų | 46.7 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | trans | -96.1 | 140.8 | -175.9 | -58.6 | -69.3 | 0 | 0 | 0 | 112.1 | Y456 L457 R460 L468 L469 M472 E564 M592 | Y456-F464 HydrophobicContact CD1-CE1 4.38Å; Y456-F464 HydrophobicContact CD1-CZ 4.03Å; Y456-F464 AromaticContact CE1-CE1 3.75Å; Y456-F464 HydrophobicContact CE1-CE1 3.75Å; Y456-F464 AromaticContact CE1-CZ 3.77Å; Y456-F464 HydrophobicContact CE1-CZ 3.77Å; L457-F464 HydrophobicContact CD2-CD2 4.28Å; L457-F464 HydrophobicContact CD2-CE2 3.93Å; L457-F464 HydrophobicContact CD2-CZ 4.16Å; R460-F464 HydrophobicContact CB-CE1 4.31Å; R460-F464 HydrophobicContact CB-CE2 3.7Å; R460-F464 HydrophobicContact CB-CZ 3.43Å; R460-F464 VanDerWaalsContact CB-CZ 3.43Å; R460-F464 HydrophobicContact CG-CZ 4.44Å; R460-F464 WeakPolarHBondContact O-CE2 3.33Å; F464-L468 HydrophobicContact CD1-CD2 3.86Å; F464-L469 HydrophobicContact CB-CD1 4.21Å; F464-L469 HydrophobicContact CB-CD2 3.74Å; F464-L469 HydrophobicContact CB-CG 3.85Å; F464-L469 HydrophobicContact CD1-CD2 4.43Å; F464-L469 HydrophobicContact CD2-CD2 4.24Å; F464-L469 HydrophobicContact CG-CD2 3.89Å; F464-M472 HydrophobicContact CD1-CE 4.29Å; F464-M472 HydrophobicContact CE1-CE 4.03Å; F464-E564 HydrophobicContact CD2-CG 4.31Å; F464-E564 WeakPolarHBondContact CD2-OE1 3.49Å; F464-M592 WeakPolarHBondContact O-CE 3.31Å | ||
| 465 | S | 89.4 | Confident | 92.3 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -83.7 | 153.1 | 164.5 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | G467 L468 L469 | S465-G467 PolarHBondContact O-N 2.91Å; S465-L468 PolarHBondContact O-N 3.37Å; S465-L468 WeakPolarHBondContact OG-CB 3.17Å; S465-L468 PolarHBondContact OG-N 2.8Å; S465-L469 PolarHBondContact O-N 3.12Å; S465-L469 VanDerWaalsContact O-N 3.14Å | ||
| 466 | P | 88.6 | Confident | 92.5 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -32.5 | 176.5 | -20 | 31 | 0 | 0 | 0 | 112.9 | L469 L470 F562 M592 I631 | P466-L469 PolarHBondContact O-N 3.34Å; P466-L470 WeakPolarHBondContact O-CB 3.32Å; P466-L470 PolarHBondContact O-N 2.92Å; P466-F562 HydrophobicContact CB-CE1 4.39Å; P466-M592 HydrophobicContact CG-CE 4.17Å; P466-I631 HydrophobicContact CB-CG2 4.02Å |
| 467 | G | 86.3 | Confident | 92.6 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S465 L469 L470 E471 | S465-G467 PolarHBondContact O-N 2.91Å; G467-L469 PolarHBondContact O-N 2.8Å; G467-L470 PolarHBondContact O-N 3.02Å; G467-E471 WeakPolarHBondContact O-CG 3.29Å; G467-E471 PolarHBondContact O-N 2.83Å |
| 468 | L | 87.3 | Confident | 92.6 | Very high | 47 Ų | 47 | 45.3 Ų | 45.3 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 176.8 | 177.6 | 58.4 | 0 | 0 | 0 | 111.9 | F464 S465 L470 E471 M472 | F464-L468 HydrophobicContact CD1-CD2 3.86Å; S465-L468 PolarHBondContact O-N 3.37Å; S465-L468 WeakPolarHBondContact OG-CB 3.17Å; S465-L468 PolarHBondContact OG-N 2.8Å; L468-L470 VanDerWaalsContact C-N 3.33Å; L468-E471 PolarHBondContact O-N 3.16Å; L468-M472 HydrophobicContact CD1-CE 4.24Å; L468-M472 HydrophobicContact CD2-CE 4.45Å; L468-M472 HydrophobicContact CG-CE 4.05Å; L468-M472 WeakPolarHBondContact O-CG 3.47Å; L468-M472 PolarHBondContact O-N 3.27Å; L468-M472 VanDerWaalsContact O-N 3.11Å |
| 469 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 174.1 | -66.4 | 179.9 | 0 | 0 | 0 | 111.8 | L457 F464 S465 P466 G467 M472 C473 V561 F562 M592 | L457-L469 HydrophobicContact CD2-CD2 3.74Å; F464-L469 HydrophobicContact CB-CD1 4.21Å; F464-L469 HydrophobicContact CB-CD2 3.74Å; F464-L469 HydrophobicContact CB-CG 3.85Å; F464-L469 HydrophobicContact CD1-CD2 4.43Å; F464-L469 HydrophobicContact CD2-CD2 4.24Å; F464-L469 HydrophobicContact CG-CD2 3.89Å; S465-L469 PolarHBondContact O-N 3.12Å; S465-L469 VanDerWaalsContact O-N 3.14Å; P466-L469 PolarHBondContact O-N 3.34Å; G467-L469 PolarHBondContact O-N 2.8Å; L469-M472 HydrophobicContact CD2-SD 4.44Å; L469-M472 PolarHBondContact O-N 3.45Å; L469-C473 PolarHBondContact O-N 2.83Å; L469-C473 PolarHBondContact O-SG 2.82Å; L469-V561 HydrophobicContact CB-CG1 3.91Å; L469-V561 HydrophobicContact CD2-CG1 3.84Å; L469-V561 HydrophobicContact CG-CG1 4.41Å; L469-V561 WeakPolarHBondContact O-CG1 3.4Å; L469-F562 HydrophobicContact CB-CD1 4.49Å; L469-F562 HydrophobicContact CB-CD2 4.43Å; L469-F562 HydrophobicContact CB-CE1 4.1Å; L469-F562 HydrophobicContact CB-CE2 4Å; L469-F562 HydrophobicContact CB-CZ 3.82Å; L469-F562 HydrophobicContact CD1-CD1 4.34Å; L469-M592 HydrophobicContact CD1-CE 3.52Å; L469-M592 HydrophobicContact CD1-SD 4.04Å |
| 470 | L | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -40 | 175.3 | -174 | 54.6 | 0 | 0 | 0 | 111.9 | P466 G467 L468 M472 C473 L474 F562 L597 L622 V625 L626 I631 | P466-L470 WeakPolarHBondContact O-CB 3.32Å; P466-L470 PolarHBondContact O-N 2.92Å; G467-L470 PolarHBondContact O-N 3.02Å; L468-L470 VanDerWaalsContact C-N 3.33Å; L470-M472 VanDerWaalsContact C-N 3.33Å; L470-M472 PolarHBondContact O-N 3.01Å; L470-C473 WeakPolarHBondContact O-CB 3.5Å; L470-C473 PolarHBondContact O-N 2.79Å; L470-C473 VanDerWaalsContact O-N 3.1Å; L470-L474 PolarHBondContact O-N 3.49Å; L470-F562 HydrophobicContact CB-CZ 4.09Å; L470-L597 HydrophobicContact CD1-CD1 3.81Å; L470-L622 HydrophobicContact CD1-CB 4.35Å; L470-L622 HydrophobicContact CD1-CD2 3.82Å; L470-V625 HydrophobicContact CD2-CB 4.36Å; L470-V625 HydrophobicContact CD2-CG1 3.91Å; L470-L626 HydrophobicContact CB-CD1 4.43Å; L470-L626 HydrophobicContact CD2-CB 3.75Å; L470-L626 HydrophobicContact CD2-CD1 3.87Å; L470-L626 HydrophobicContact CD2-CG 4.42Å; L470-L626 HydrophobicContact CG-CB 4.49Å; L470-L626 HydrophobicContact CG-CD1 4.3Å; L470-I631 HydrophobicContact CD2-CD1 3.99Å |
| 471 | E | 87.9 | Confident | 92.8 | Very high | 18 Ų | 18 | 30 Ų | 30 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 173.8 | -73.4 | 177.6 | 165.4 | 0 | 0 | 112 | N255 N257 G467 L468 C473 L474 D475 | N255-E471 PolarHBondContact ND2-OE1 3.24Å; N255-E471 PolarHBondContact ND2-OE2 3.38Å; N257-E471 PolarHBondContact ND2-OE1 2.73Å; N257-E471 PolarHBondContact ND2-OE2 3.44Å; G467-E471 WeakPolarHBondContact O-CG 3.29Å; G467-E471 PolarHBondContact O-N 2.83Å; L468-E471 PolarHBondContact O-N 3.16Å; E471-C473 VanDerWaalsContact C-N 3.29Å; E471-C473 PolarHBondContact O-N 3.42Å; E471-L474 PolarHBondContact O-N 2.98Å; E471-D475 PolarHBondContact O-N 2.76Å |
| 472 | M | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.015 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 173.8 | -65.7 | -179.5 | -173.1 | 0 | 0 | 112.2 | L453 Y456 L457 F464 L468 L469 L470 V476 M500 V506 V561 | L453-M472 HydrophobicContact CD1-SD 3.69Å; Y456-M472 HydrophobicContact CE1-CE 4.22Å; L457-M472 HydrophobicContact CD2-SD 4.11Å; F464-M472 HydrophobicContact CD1-CE 4.29Å; F464-M472 HydrophobicContact CE1-CE 4.03Å; L468-M472 HydrophobicContact CD1-CE 4.24Å; L468-M472 HydrophobicContact CD2-CE 4.45Å; L468-M472 HydrophobicContact CG-CE 4.05Å; L468-M472 WeakPolarHBondContact O-CG 3.47Å; L468-M472 PolarHBondContact O-N 3.27Å; L468-M472 VanDerWaalsContact O-N 3.11Å; L469-M472 HydrophobicContact CD2-SD 4.44Å; L469-M472 PolarHBondContact O-N 3.45Å; L470-M472 VanDerWaalsContact C-N 3.33Å; L470-M472 PolarHBondContact O-N 3.01Å; M472-V476 WeakPolarHBondContact O-CG2 3.18Å; M472-V476 PolarHBondContact O-N 3.48Å; M472-M500 HydrophobicContact CE-CE 3.79Å; M472-M500 HydrophobicContact CG-CE 4.45Å; M472-M500 HydrophobicContact SD-CE 4.13Å; M472-V506 HydrophobicContact CB-CG2 3.99Å; M472-V506 HydrophobicContact CG-CG2 3.94Å; M472-V561 HydrophobicContact CB-CG1 4.43Å |
| 473 | C | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68 | -39.2 | 174.7 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | L469 L470 E471 V476 C477 Y554 M558 | L469-C473 PolarHBondContact O-N 2.83Å; L469-C473 PolarHBondContact O-SG 2.82Å; L470-C473 WeakPolarHBondContact O-CB 3.5Å; L470-C473 PolarHBondContact O-N 2.79Å; L470-C473 VanDerWaalsContact O-N 3.1Å; E471-C473 VanDerWaalsContact C-N 3.29Å; E471-C473 PolarHBondContact O-N 3.42Å; C473-V476 PolarHBondContact O-N 3.17Å; C473-C477 WeakPolarHBondContact O-CB 3.35Å; C473-C477 PolarHBondContact O-N 3.37Å; C473-Y554 PolarHBondContact O-OH 3.11Å; C473-M558 HydrophobicContact CB-CG 4.42Å |
| 474 | L | 94.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 7% | 0.068 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 176.4 | -79.1 | 166.4 | 0 | 0 | 0 | 111.4 | L470 E471 V476 C477 E478 Y619 L622 L626 | L470-L474 PolarHBondContact O-N 3.49Å; E471-L474 PolarHBondContact O-N 2.98Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.49Å; L474-C477 WeakPolarHBondContact O-CA 3.3Å; L474-C477 WeakPolarHBondContact O-CB 3.22Å; L474-C477 PolarHBondContact O-N 2.72Å; L474-E478 WeakPolarHBondContact O-CG 3.32Å; L474-E478 PolarHBondContact O-N 3.46Å; L474-Y619 HydrophobicContact CD2-CD2 3.82Å; L474-Y619 HydrophobicContact CD2-CE2 3.83Å; L474-L622 HydrophobicContact CD2-CB 3.57Å; L474-L622 HydrophobicContact CD2-CD1 4.44Å; L474-L622 HydrophobicContact CG-CB 4.24Å; L474-L626 HydrophobicContact CD1-CD2 3.75Å |
| 475 | D | 93.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -52.4 | -47.7 | 174.3 | -86.5 | 4.9 | 0 | 0 | 0 | 111.7 | K427 E471 G479 V506 | K427-D475 WeakPolarHBondContact CB-O 3.48Å; K427-D475 HydrophobicContact CD-CB 4.02Å; K427-D475 VanDerWaalsContact CE-OD1 3.26Å; K427-D475 WeakPolarHBondContact CE-OD1 3.27Å; K427-D475 WeakPolarHBondContact CG-O 3.43Å; K427-D475 VanDerWaalsContact NZ-CG 3.27Å; K427-D475 IonicContact NZ-OD1 3.26Å; K427-D475 PolarHBondContact NZ-OD1 3.32Å; K427-D475 IonicContact NZ-OD2 3.44Å; K427-D475 PolarHBondContact NZ-OD2 3.09Å; E471-D475 PolarHBondContact O-N 2.76Å; D475-G479 PolarHBondContact O-N 3.31Å; D475-V506 HydrophobicContact CB-CB 3.85Å; D475-V506 PolarHBondContact OD2-N 2.81Å |
| 476 | V | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 177 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | M472 C473 L474 G479 M480 L493 C498 V506 V508 Y554 L557 | M472-V476 WeakPolarHBondContact O-CG2 3.18Å; M472-V476 PolarHBondContact O-N 3.48Å; C473-V476 PolarHBondContact O-N 3.17Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.49Å; V476-G479 PolarHBondContact O-N 3.16Å; V476-M480 HydrophobicContact CG1-CG 4.35Å; V476-M480 WeakPolarHBondContact O-CG 2.97Å; V476-M480 PolarHBondContact O-N 3.2Å; V476-L493 HydrophobicContact CG1-CD1 4.19Å; V476-C498 HydrophobicContact CG2-CB 4.38Å; V476-V506 HydrophobicContact CG2-CB 4.39Å; V476-V506 HydrophobicContact CG2-CG1 3.55Å; V476-V508 HydrophobicContact CB-CG2 4.47Å; V476-V508 HydrophobicContact CG1-CG2 3.98Å; V476-Y554 HydrophobicContact CB-CE2 4.13Å; V476-Y554 HydrophobicContact CG1-CD2 3.93Å; V476-Y554 HydrophobicContact CG1-CE2 3.8Å; V476-L557 HydrophobicContact CB-CD2 4.48Å; V476-L557 HydrophobicContact CG1-CD1 3.9Å; V476-L557 HydrophobicContact CG1-CD2 4.2Å; V476-L557 HydrophobicContact CG2-CD2 4.4Å |
| 477 | C | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 179.3 | -162 | 0 | 0 | 0 | 0 | 111.7 | C473 L474 G479 M480 E481 Y554 F615 Y619 L622 | C473-C477 WeakPolarHBondContact O-CB 3.35Å; C473-C477 PolarHBondContact O-N 3.37Å; L474-C477 WeakPolarHBondContact O-CA 3.3Å; L474-C477 WeakPolarHBondContact O-CB 3.22Å; L474-C477 PolarHBondContact O-N 2.72Å; C477-G479 VanDerWaalsContact C-N 3.33Å; C477-G479 PolarHBondContact O-N 3.43Å; C477-M480 PolarHBondContact O-N 2.77Å; C477-E481 WeakPolarHBondContact O-CB 3.36Å; C477-E481 PolarHBondContact O-N 2.9Å; C477-Y554 HydrophobicContact CB-CE2 4.2Å; C477-Y554 WeakPolarHBondContact CB-OH 3.42Å; C477-F615 PolarHBondContact SG-O 3.23Å; C477-Y619 HydrophobicContact CB-CD2 4.48Å; C477-L622 HydrophobicContact CB-CD1 4.38Å |
| 478 | E | 95.1 | Very high | 93.1 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 21% | 0.21 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.5 | -70.8 | 177.9 | -165.6 | 0 | 0 | 111.5 | K427 L474 M480 E481 Y482 Y619 | K427-E478 HydrophobicContact CB-CB 4.47Å; K427-E478 VanDerWaalsContact CE-OE2 3.25Å; K427-E478 WeakPolarHBondContact CE-OE2 3.4Å; K427-E478 HydrophobicContact CG-CB 3.94Å; L474-E478 WeakPolarHBondContact O-CG 3.32Å; L474-E478 PolarHBondContact O-N 3.46Å; E478-M480 VanDerWaalsContact C-N 3.35Å; E478-M480 PolarHBondContact O-N 3.3Å; E478-E481 PolarHBondContact O-N 3.04Å; E478-Y482 PolarHBondContact O-N 3.12Å; E478-Y482 VanDerWaalsContact O-N 3.1Å; E478-Y619 HydrophobicContact CG-CD2 3.71Å; E478-Y619 HydrophobicContact CG-CE2 3.23Å; E478-Y619 VanDerWaalsContact OE1-CE2 3.23Å; E478-Y619 WeakPolarHBondContact OE1-CE2 3.35Å; E478-Y619 PolarHBondContact OE1-OH 3.14Å |
| 479 | G | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D475 V476 C477 Y482 L483 | D475-G479 PolarHBondContact O-N 3.31Å; V476-G479 PolarHBondContact O-N 3.16Å; C477-G479 VanDerWaalsContact C-N 3.33Å; C477-G479 PolarHBondContact O-N 3.43Å; G479-Y482 PolarHBondContact O-N 2.95Å; G479-L483 PolarHBondContact O-N 2.66Å; G479-L483 VanDerWaalsContact O-N 3.15Å |
| 480 | M | 97.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -74.3 | -33.2 | 179.4 | -70.4 | -57.5 | -52.9 | 0 | 0 | 113.4 | V476 C477 E478 Y482 L483 E484 H490 L493 V508 D550 F615 | V476-M480 HydrophobicContact CG1-CG 4.35Å; V476-M480 WeakPolarHBondContact O-CG 2.97Å; V476-M480 PolarHBondContact O-N 3.2Å; C477-M480 PolarHBondContact O-N 2.77Å; E478-M480 VanDerWaalsContact C-N 3.35Å; E478-M480 PolarHBondContact O-N 3.3Å; M480-Y482 VanDerWaalsContact C-N 3.32Å; M480-L483 HydrophobicContact CE-CD1 4.37Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD1 3.88Å; M480-E484 WeakPolarHBondContact O-CB 3.26Å; M480-E484 PolarHBondContact O-N 2.8Å; M480-H490 HydrophobicContact CE-CB 3.82Å; M480-H490 HydrophobicContact SD-CB 4.14Å; M480-L493 HydrophobicContact CE-CD2 4.1Å; M480-L493 HydrophobicContact CG-CD1 4.28Å; M480-L493 HydrophobicContact CG-CD2 3.82Å; M480-L493 HydrophobicContact SD-CD1 3.89Å; M480-L493 HydrophobicContact SD-CD2 3.87Å; M480-L493 HydrophobicContact SD-CG 4.4Å; M480-V508 HydrophobicContact CG-CG2 4.41Å; M480-V508 HydrophobicContact SD-CG1 4.18Å; M480-V508 HydrophobicContact SD-CG2 4.48Å; M480-D550 HydrophobicContact CE-CB 3.75Å; M480-F615 HydrophobicContact CB-CD1 3.45Å; M480-F615 VanDerWaalsContact CB-CD1 3.45Å; M480-F615 HydrophobicContact CB-CD2 3.95Å; M480-F615 HydrophobicContact CB-CE1 3.36Å; M480-F615 HydrophobicContact CB-CE2 3.86Å; M480-F615 HydrophobicContact CB-CG 3.75Å; M480-F615 HydrophobicContact CB-CZ 3.58Å; M480-F615 HydrophobicContact CE-CE2 3.76Å; M480-F615 HydrophobicContact CE-CZ 3.71Å; M480-F615 HydrophobicContact CG-CD1 4.42Å; M480-F615 HydrophobicContact CG-CE1 3.87Å; M480-F615 HydrophobicContact CG-CZ 3.95Å |
| 481 | E | 96.4 | Very high | 92.9 | Very high | 64 Ų | 64 | 24.5 Ų | 24.5 | 30% | 0.299 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 170.8 | -176.7 | -176 | -156.3 | 0 | 0 | 110.5 | C477 E478 L483 E484 A485 F615 S616 | C477-E481 WeakPolarHBondContact O-CB 3.36Å; C477-E481 PolarHBondContact O-N 2.9Å; E478-E481 PolarHBondContact O-N 3.04Å; E481-L483 PolarHBondContact O-N 2.91Å; E481-E484 PolarHBondContact O-N 3.29Å; E481-A485 WeakPolarHBondContact O-CB 3.41Å; E481-A485 PolarHBondContact O-N 2.91Å; E481-F615 HydrophobicContact CB-CB 3.89Å; E481-S616 VanDerWaalsContact OE1-CA 3.28Å; E481-S616 WeakPolarHBondContact OE1-CA 3.42Å; E481-S616 WeakPolarHBondContact OE1-CB 3.3Å |
| 482 | Y | 94 | Very high | 92.9 | Very high | 46 Ų | 46 | 24.2 Ų | 24.2 | 18% | 0.18 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 175.1 | 178.5 | -89.6 | 0 | 0 | 0 | 112.1 | L423 S424 H425 L428 E478 G479 M480 A485 N486 | L423-Y482 HydrophobicContact CB-CE1 4.07Å; L423-Y482 HydrophobicContact CD2-CE1 3.8Å; S424-Y482 PolarHBondContact N-OH 2.95Å; S424-Y482 VanDerWaalsContact N-OH 3.15Å; S424-Y482 PolarHBondContact O-OH 3.09Å; H425-Y482 HydrophobicContact CB-CD1 3.85Å; H425-Y482 HydrophobicContact CB-CD2 4.09Å; H425-Y482 HydrophobicContact CB-CE1 4.05Å; H425-Y482 HydrophobicContact CB-CE2 4.29Å; H425-Y482 HydrophobicContact CB-CG 3.84Å; H425-Y482 AromaticContact CD2-CD2 3.59Å; H425-Y482 AromaticContact CD2-CG 3.79Å; H425-Y482 AromaticContact CG-CG 3.81Å; L428-Y482 HydrophobicContact CD1-CD1 3.49Å; L428-Y482 VanDerWaalsContact CD1-CD1 3.49Å; L428-Y482 HydrophobicContact CD1-CE1 3.85Å; E478-Y482 PolarHBondContact O-N 3.12Å; E478-Y482 VanDerWaalsContact O-N 3.1Å; G479-Y482 PolarHBondContact O-N 2.95Å; M480-Y482 VanDerWaalsContact C-N 3.32Å; Y482-A485 PolarHBondContact O-N 2.84Å; Y482-N486 PolarHBondContact O-N 3.31Å; Y482-N486 VanDerWaalsContact O-N 3.15Å; Y482-N486 PolarHBondContact O-ND2 2.88Å |
| 483 | L | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.6 | -69.4 | -179.4 | 0 | 0 | 0 | 112 | L423 L428 G479 M480 E481 A485 N486 N487 F488 F511 | L423-L483 HydrophobicContact CD1-CD2 3.76Å; L428-L483 HydrophobicContact CD1-CD2 3.62Å; L428-L483 HydrophobicContact CD1-CG 4.01Å; L428-L483 HydrophobicContact CD2-CD1 4.1Å; L428-L483 HydrophobicContact CD2-CD2 4.42Å; L428-L483 HydrophobicContact CD2-CG 4.08Å; G479-L483 PolarHBondContact O-N 2.66Å; G479-L483 VanDerWaalsContact O-N 3.15Å; M480-L483 HydrophobicContact CE-CD1 4.37Å; M480-L483 PolarHBondContact O-N 2.86Å; M480-L483 HydrophobicContact SD-CD1 3.88Å; E481-L483 PolarHBondContact O-N 2.91Å; L483-A485 PolarHBondContact O-N 3.42Å; L483-N486 CarbonylContact O-C 3.48Å; L483-N486 PolarHBondContact O-N 3.07Å; L483-N486 VanDerWaalsContact O-N 3.15Å; L483-N487 PolarHBondContact O-N 3.19Å; L483-N487 VanDerWaalsContact O-N 3.15Å; L483-F488 HydrophobicContact CB-CB 4.16Å; L483-F488 HydrophobicContact CD2-CB 3.97Å; L483-F488 PolarHBondContact O-N 3.13Å; L483-F511 HydrophobicContact CD1-CB 4.47Å |
| 484 | E | 93.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 24.1 Ų | 24.1 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 177.2 | -178.2 | 169.2 | -123.1 | 0 | 0 | 111.1 | M480 E481 N486 N487 S547 S614 F615 | M480-E484 WeakPolarHBondContact O-CB 3.26Å; M480-E484 PolarHBondContact O-N 2.8Å; E481-E484 PolarHBondContact O-N 3.29Å; E484-N486 PolarHBondContact O-N 3.34Å; E484-N487 PolarHBondContact O-N 2.77Å; E484-S547 WeakPolarHBondContact OE1-CB 3.42Å; E484-S547 PolarHBondContact OE1-OG 3.06Å; E484-S614 WeakPolarHBondContact OE2-CB 3.44Å; E484-F615 HydrophobicContact CB-CD2 4.16Å; E484-F615 PolarHBondContact OE2-N 3.37Å |
| 485 | A | 91.2 | Very high | 93 | Very high | 76 Ų | 76 | 23.5 Ų | 23.5 | 63% | 0.628 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -62.3 | -27 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E481 Y482 L483 | E481-A485 WeakPolarHBondContact O-CB 3.41Å; E481-A485 PolarHBondContact O-N 2.91Å; Y482-A485 PolarHBondContact O-N 2.84Å; L483-A485 PolarHBondContact O-N 3.42Å |
| 486 | N | 88.1 | Confident | 93 | Very high | 61 Ų | 61 | 26.2 Ų | 26.2 | 33% | 0.326 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 9.8 | 177.5 | -72.6 | -82 | 0 | 0 | 0 | 113.5 | L423 Y482 L483 E484 F488 | L423-N486 HydrophobicContact CD2-CB 3.96Å; Y482-N486 PolarHBondContact O-N 3.31Å; Y482-N486 VanDerWaalsContact O-N 3.15Å; Y482-N486 PolarHBondContact O-ND2 2.88Å; L483-N486 CarbonylContact O-C 3.48Å; L483-N486 PolarHBondContact O-N 3.07Å; L483-N486 VanDerWaalsContact O-N 3.15Å; E484-N486 PolarHBondContact O-N 3.34Å; N486-F488 VanDerWaalsContact C-N 3.31Å; N486-F488 HydrophobicContact CB-CD2 4.11Å; N486-F488 WeakPolarHBondContact O-CD2 3.49Å; N486-F488 PolarHBondContact O-N 3.07Å |
| 487 | N | 86.1 | Confident | 92.8 | Very high | 68 Ų | 68 | 26.7 Ų | 26.7 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 35.6 | 179.8 | -49.5 | -75.8 | 0 | 0 | 0 | 114.1 | L483 E484 Y516 V517 | L483-N487 PolarHBondContact O-N 3.19Å; L483-N487 VanDerWaalsContact O-N 3.15Å; E484-N487 PolarHBondContact O-N 2.77Å; N487-Y516 HydrophobicContact CB-CE2 4.17Å; N487-V517 PolarHBondContact O-N 3.48Å; N487-V517 VanDerWaalsContact O-N 3.15Å |
| 488 | F | 87.3 | Confident | 92.8 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 6% | 0.057 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.9 | 172.2 | -84.7 | -95 | 0 | 0 | 0 | 111.1 | L419 M420 L423 L483 N486 A514 Y516 | L419-F488 HydrophobicContact CB-CZ 3.97Å; M420-F488 HydrophobicContact CG-CE1 4.07Å; L423-F488 HydrophobicContact CD1-CD1 4.03Å; L423-F488 HydrophobicContact CD1-CD2 3.91Å; L423-F488 HydrophobicContact CD1-CE1 4Å; L423-F488 HydrophobicContact CD1-CE2 3.89Å; L423-F488 HydrophobicContact CD1-CG 3.98Å; L423-F488 HydrophobicContact CD1-CZ 3.92Å; L423-F488 HydrophobicContact CD2-CD2 3.93Å; L423-F488 HydrophobicContact CD2-CE2 3.81Å; L423-F488 HydrophobicContact CG-CD2 4.45Å; L423-F488 HydrophobicContact CG-CE2 4.16Å; L423-F488 HydrophobicContact CG-CZ 4.39Å; L483-F488 HydrophobicContact CB-CB 4.16Å; L483-F488 HydrophobicContact CD2-CB 3.97Å; L483-F488 PolarHBondContact O-N 3.13Å; N486-F488 VanDerWaalsContact C-N 3.31Å; N486-F488 HydrophobicContact CB-CD2 4.11Å; N486-F488 WeakPolarHBondContact O-CD2 3.49Å; N486-F488 PolarHBondContact O-N 3.07Å; F488-A514 HydrophobicContact CD1-CB 4.17Å; F488-Y516 HydrophobicContact CD2-CD2 4.18Å; F488-Y516 AromaticContact CE2-CD2 3.76Å; F488-Y516 HydrophobicContact CE2-CD2 3.76Å; F488-Y516 HydrophobicContact CZ-CD2 4.11Å |
| 489 | I | 89.1 | Confident | 92.8 | Very high | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.4 | 173.7 | -51.4 | 171.8 | 0 | 0 | 0 | 108.4 | R491 A514 R515 V517 F545 D550 | I489-R491 HydrophobicContact CB-CG 4.27Å; I489-R491 HydrophobicContact CG2-CG 3.71Å; I489-A514 WeakPolarHBondContact O-CA 3.27Å; I489-A514 WeakPolarHBondContact O-CB 3.38Å; I489-R515 PolarHBondContact N-O 2.87Å; I489-R515 PolarHBondContact O-N 3.34Å; I489-V517 HydrophobicContact CD1-CB 3.88Å; I489-V517 HydrophobicContact CD1-CG1 4.21Å; I489-V517 HydrophobicContact CD1-CG2 3.63Å; I489-V517 HydrophobicContact CG1-CB 4.44Å; I489-V517 HydrophobicContact CG1-CG2 4.26Å; I489-F545 HydrophobicContact CG2-CB 4.34Å; I489-D550 WeakPolarHBondContact CA-OD2 3.45Å; I489-D550 VanDerWaalsContact CG2-OD2 3.27Å; I489-D550 WeakPolarHBondContact CG2-OD2 3.47Å |
| 490 | H | 91.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -70.7 | -43.3 | -175.8 | -171.5 | -72.6 | 0 | 0 | 0 | 112.9 | M480 D492 L493 V508 S509 D550 | M480-H490 HydrophobicContact CE-CB 3.82Å; M480-H490 HydrophobicContact SD-CB 4.14Å; H490-D492 VanDerWaalsContact CE1-C 3.47Å; H490-D492 PolarHBondContact CE1-O 2.98Å; H490-D492 VanDerWaalsContact CE1-O 3.3Å; H490-D492 PolarHBondContact ND1-N 3.02Å; H490-D492 PolarHBondContact O-N 2.85Å; H490-L493 PolarHBondContact ND1-N 3Å; H490-V508 VanDerWaalsContact CD2-CG1 3.44Å; H490-V508 WeakPolarHBondContact CD2-CG1 3.24Å; H490-V508 WeakPolarHBondContact NE2-CG1 3.43Å; H490-S509 PolarHBondContact NE2-O 3.18Å; H490-D550 PolarHBondContact N-OD2 2.94Å | ||
| 491 | R | 88.6 | Confident | 92.1 | Very high | 43 Ų | 43 | 27.4 Ų | 27.4 | 16% | 0.162 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 69.7 | -18.8 | 175 | -52.4 | 165.8 | 60.3 | -157.4 | -0.1 | 117 | I489 M513 F545 D550 | I489-R491 HydrophobicContact CB-CG 4.27Å; I489-R491 HydrophobicContact CG2-CG 3.71Å; R491-M513 PolarHBondContact NH1-O 3.05Å; R491-M513 VanDerWaalsContact NH1-O 3.1Å; R491-F545 HydrophobicContact CB-CD1 3.9Å; R491-F545 HydrophobicContact CB-CE1 4.14Å; R491-F545 HydrophobicContact CG-CB 4.26Å; R491-F545 HydrophobicContact CG-CD1 3.84Å; R491-F545 HydrophobicContact CG-CE1 4.49Å; R491-F545 HydrophobicContact CG-CG 4.16Å; R491-D550 PolarHBondContact N-OD1 2.99Å |
| 492 | D | 89.1 | Confident | 91.4 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -133.2 | 41.3 | 176.9 | -167.5 | 26.9 | 0 | 0 | 0 | 112 | H490 A494 R496 N497 P531 | H490-D492 VanDerWaalsContact CE1-C 3.47Å; H490-D492 PolarHBondContact CE1-O 2.98Å; H490-D492 VanDerWaalsContact CE1-O 3.3Å; H490-D492 PolarHBondContact ND1-N 3.02Å; H490-D492 PolarHBondContact O-N 2.85Å; D492-A494 PolarHBondContact O-N 2.9Å; D492-R496 IonicContact OD1-CZ 2.79Å; D492-R496 IonicContact OD1-NH2 3.52Å; D492-R496 PolarHBondContact OD1-NH2 3.27Å; D492-R496 IonicContact OD2-NH2 2.7Å; D492-N497 PolarHBondContact O-ND2 3.17Å; D492-N497 PolarHBondContact OD2-ND2 3.16Å; D492-P531 VanDerWaalsContact OD1-CG 3.25Å; D492-P531 WeakPolarHBondContact OD1-CG 3.36Å | ||
| 493 | L | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -71.2 | 123.1 | -178.9 | -178.6 | 65.1 | 0 | 0 | 0 | 110.3 | V476 M480 H490 V508 S553 Y554 L557 F615 | V476-L493 HydrophobicContact CG1-CD1 4.19Å; M480-L493 HydrophobicContact CE-CD2 4.1Å; M480-L493 HydrophobicContact CG-CD1 4.28Å; M480-L493 HydrophobicContact CG-CD2 3.82Å; M480-L493 HydrophobicContact SD-CD1 3.89Å; M480-L493 HydrophobicContact SD-CD2 3.87Å; M480-L493 HydrophobicContact SD-CG 4.4Å; H490-L493 PolarHBondContact ND1-N 3Å; L493-V508 HydrophobicContact CD1-CG1 4.09Å; L493-S553 WeakPolarHBondContact O-CB 3.47Å; L493-Y554 HydrophobicContact CD2-CD2 4.18Å; L493-Y554 HydrophobicContact CD2-CG 4.48Å; L493-L557 HydrophobicContact CD1-CD1 3.9Å; L493-L557 HydrophobicContact CG-CD1 4Å; L493-F615 HydrophobicContact CD2-CZ 4.43Å | ||
| 494 | A | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -166.5 | 160.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110 | D492 R496 N497 C498 W534 | D492-A494 PolarHBondContact O-N 2.9Å; A494-R496 HydrophobicContact CB-CG 4.02Å; A494-R496 VanDerWaalsContact CB-NH1 3.29Å; A494-R496 PolarHBondContact O-N 3.34Å; A494-N497 CarbonylContact O-C 3.54Å; A494-N497 PolarHBondContact O-N 2.86Å; A494-C498 PolarHBondContact O-N 3.15Å; A494-W534 HydrophobicContact CB-CD2 4.35Å; A494-W534 HydrophobicContact CB-CG 4.26Å; A494-W534 HydrophobicContact CB-CZ2 4.48Å |
| 495 | A | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -60.8 | -20.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L453 V454 N497 E560 | L453-A495 WeakPolarHBondContact CB-O 3.48Å; L453-A495 HydrophobicContact CD2-CB 4.42Å; L453-A495 PolarHBondContact N-O 2.61Å; V454-A495 HydrophobicContact CB-CB 4Å; V454-A495 PolarHBondContact N-O 3.35Å; V454-A495 VanDerWaalsContact N-O 3.16Å; A495-N497 VanDerWaalsContact C-N 3.31Å; A495-E560 HydrophobicContact CB-CB 4.1Å; A495-E560 PolarHBondContact N-OE2 3.45Å |
| 496 | R | 93.8 | Very high | 89.5 | Confident | 75 Ų | 75 | 26.1 Ų | 26.1 | 28% | 0.283 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -70.2 | -25 | 172.2 | 66.1 | 176.1 | 173.6 | -78 | -7 | 113.9 | C452 V454 D492 A494 P531 W534 | C452-R496 WeakPolarHBondContact CB-O 3.49Å; V454-R496 HydrophobicContact CG1-CB 3.97Å; D492-R496 IonicContact OD1-CZ 2.79Å; D492-R496 IonicContact OD1-NH2 3.52Å; D492-R496 PolarHBondContact OD1-NH2 3.27Å; D492-R496 IonicContact OD2-NH2 2.7Å; A494-R496 HydrophobicContact CB-CG 4.02Å; A494-R496 VanDerWaalsContact CB-NH1 3.29Å; A494-R496 PolarHBondContact O-N 3.34Å; R496-P531 VanDerWaalsContact NH2-CB 3.33Å; R496-W534 VanDerWaalsContact NH1-CH2 3.32Å; R496-W534 VanDerWaalsContact NH1-CZ2 3.34Å |
| 497 | N | 94.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 24 Ų | 24 | 5% | 0.048 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -106 | 20.3 | -178.9 | -66.3 | -19.3 | 0 | 0 | 0 | 111.1 | D492 A494 A495 S509 D510 | D492-N497 PolarHBondContact O-ND2 3.17Å; D492-N497 PolarHBondContact OD2-ND2 3.16Å; A494-N497 CarbonylContact O-C 3.54Å; A494-N497 PolarHBondContact O-N 2.86Å; A495-N497 VanDerWaalsContact C-N 3.31Å; N497-S509 PolarHBondContact O-N 2.96Å; N497-S509 PolarHBondContact O-OG 2.9Å; N497-D510 HydrophobicContact CB-CB 4.31Å |
| 498 | C | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.6 | 165 | -58.5 | 0 | 0 | 0 | 0 | 107.3 | C452 L453 V476 A494 V506 K507 | C452-C498 CarbonylContact C-O 3.57Å; C452-C498 VanDerWaalsContact CA-O 3.27Å; C452-C498 WeakPolarHBondContact CA-O 3.46Å; L453-C498 HydrophobicContact CB-CB 4.02Å; L453-C498 HydrophobicContact CD2-CB 4.12Å; L453-C498 PolarHBondContact N-O 2.77Å; V476-C498 HydrophobicContact CG2-CB 4.38Å; A494-C498 PolarHBondContact O-N 3.15Å; C498-V506 HydrophobicContact CB-CG1 3.72Å; C498-K507 CarbonylContact C-O 3.45Å; C498-K507 WeakPolarHBondContact CA-O 3.43Å |
| 499 | L | 95.3 | Very high | 90.5 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 19% | 0.194 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 154.9 | -178.1 | -58.4 | -177.3 | 0 | 0 | 0 | 110.2 | V429 M448 G451 C452 V506 K507 | V429-L499 HydrophobicContact CG2-CB 4.28Å; V429-L499 HydrophobicContact CG2-CD1 4.15Å; V429-L499 HydrophobicContact CG2-CG 4.45Å; M448-L499 HydrophobicContact CB-CB 3.62Å; M448-L499 HydrophobicContact CB-CD1 3.96Å; M448-L499 HydrophobicContact CB-CG 4.37Å; M448-L499 HydrophobicContact CE-CB 3.94Å; M448-L499 WeakPolarHBondContact CE-O 3.34Å; M448-L499 HydrophobicContact CG-CB 3.59Å; M448-L499 HydrophobicContact CG-CD1 3.72Å; M448-L499 HydrophobicContact CG-CG 4.3Å; G451-L499 CarbonylContact O-C 3.55Å; G451-L499 VanDerWaalsContact O-CA 3.31Å; G451-L499 WeakPolarHBondContact O-CA 3.45Å; C452-L499 HydrophobicContact CB-CD2 3.72Å; L499-V506 CarbonylContact O-C 3.6Å; L499-V506 WeakPolarHBondContact O-CA 3.33Å; L499-K507 PolarHBondContact N-O 3.06Å; L499-K507 PolarHBondContact O-N 3.36Å |
| 500 | M | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.5 | -179.4 | -177 | 179.2 | -73.2 | 0 | 0 | 111.2 | M448 Q449 Q450 G451 L453 Y456 M472 M504 V505 V506 | M448-M500 CarbonylContact C-O 3.59Å; Q449-M500 PolarHBondContact N-O 2.77Å; Q450-M500 HydrophobicContact CB-CB 3.89Å; Q450-M500 HydrophobicContact CB-CG 3.99Å; Q450-M500 WeakPolarHBondContact CB-O 3.41Å; Q450-M500 HydrophobicContact CB-SD 4.38Å; Q450-M500 HydrophobicContact CG-CG 4.23Å; Q450-M500 PolarHBondContact N-O 3.3Å; G451-M500 PolarHBondContact O-N 3.31Å; L453-M500 HydrophobicContact CD1-CE 3.93Å; Y456-M500 HydrophobicContact CD1-CE 4.06Å; Y456-M500 HydrophobicContact CD1-SD 3.93Å; Y456-M500 HydrophobicContact CD2-SD 3.95Å; Y456-M500 HydrophobicContact CE1-CE 4.18Å; Y456-M500 HydrophobicContact CE1-SD 3.83Å; Y456-M500 HydrophobicContact CE2-SD 3.84Å; Y456-M500 HydrophobicContact CG-SD 4.01Å; M472-M500 HydrophobicContact CE-CE 3.79Å; M472-M500 HydrophobicContact CG-CE 4.45Å; M472-M500 HydrophobicContact SD-CE 4.13Å; M500-M504 HydrophobicContact SD-CE 3.93Å; M500-M504 HydrophobicContact SD-SD 3.71Å; M500-V505 WeakPolarHBondContact CA-O 3.22Å; M500-V506 HydrophobicContact CE-CG2 3.56Å |
| 501 | N | 85.7 | Confident | 88.6 | Confident | 26 Ų | 26 | 23.3 Ų | 23.3 | 14% | 0.139 | 12% | 0.117 | C | C | . | . | trans | -93 | 175.4 | 176.6 | 67.6 | 9.6 | 0 | 0 | 0 | 111.2 | M448 Q450 A503 M504 V505 | M448-N501 HydrophobicContact CE-CB 3.88Å; M448-N501 HydrophobicContact SD-CB 4.18Å; Q450-N501 WeakPolarHBondContact CG-O 3.31Å; N501-A503 PolarHBondContact O-N 3.1Å; N501-A503 VanDerWaalsContact O-N 3.09Å; N501-A503 VanDerWaalsContact OD1-CA 3.32Å; N501-A503 WeakPolarHBondContact OD1-CA 3.37Å; N501-A503 VanDerWaalsContact OD1-CB 3.31Å; N501-A503 WeakPolarHBondContact OD1-CB 3.39Å; N501-A503 PolarHBondContact OD1-N 3.19Å; N501-M504 PolarHBondContact O-N 2.84Å; N501-M504 PolarHBondContact OD1-N 2.95Å; N501-V505 PolarHBondContact N-O 3.34Å; N501-V505 WeakPolarHBondContact OD1-CB 3.47Å; N501-V505 PolarHBondContact OD1-N 2.97Å; N501-V505 PolarHBondContact OD1-O 3.27Å | ||
| 502 | D | 81.6 | Confident | 86.9 | Confident | 95 Ų | 95 | 22 Ų | 22 | 51% | 0.508 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.7 | 176.1 | -73.8 | -28 | 0 | 0 | 0 | 113.8 | Q449 Q450 M504 | Q449-D502 VanDerWaalsContact CB-CG 3.48Å; Q449-D502 WeakPolarHBondContact CB-OD1 3.36Å; Q449-D502 WeakPolarHBondContact CG-OD2 3.49Å; Q449-D502 PolarHBondContact NE2-OD2 3.33Å; Q449-D502 VanDerWaalsContact NE2-OD2 3.1Å; Q450-D502 PolarHBondContact NE2-OD1 3.16Å; D502-M504 VanDerWaalsContact C-N 3.26Å |
| 503 | A | 74.5 | Confident | 85.3 | Confident | 19 Ų | 19 | 24 Ų | 24 | 16% | 0.157 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 8.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | M258 N501 V505 | M258-A503 HydrophobicContact CE-CB 4.32Å; M258-A503 WeakPolarHBondContact CE-O 3.4Å; N501-A503 PolarHBondContact O-N 3.1Å; N501-A503 VanDerWaalsContact O-N 3.09Å; N501-A503 VanDerWaalsContact OD1-CA 3.32Å; N501-A503 WeakPolarHBondContact OD1-CA 3.37Å; N501-A503 VanDerWaalsContact OD1-CB 3.31Å; N501-A503 WeakPolarHBondContact OD1-CB 3.39Å; N501-A503 PolarHBondContact OD1-N 3.19Å; A503-V505 HydrophobicContact CB-CG2 4.24Å; A503-V505 PolarHBondContact O-N 3.41Å; A503-V505 VanDerWaalsContact O-N 3.13Å |
| 504 | M | 80.1 | Confident | 83.5 | Confident | 53 Ų | 53 | 24 Ų | 24 | 26% | 0.261 | 13% | 0.127 | S | C | . | . | trans | 61.7 | 14.9 | -178.1 | -61.8 | -68 | -68.6 | 0 | 0 | 114 | Y456 M500 N501 D502 | Y456-M504 HydrophobicContact CE1-CE 3.87Å; Y456-M504 HydrophobicContact CE2-CE 4.44Å; Y456-M504 HydrophobicContact CE2-SD 4.23Å; Y456-M504 VanDerWaalsContact CZ-CE 3.48Å; Y456-M504 WeakPolarHBondContact OH-CE 3.49Å; Y456-M504 PolarHBondContact OH-SD 3.44Å; M500-M504 HydrophobicContact SD-CE 3.93Å; M500-M504 HydrophobicContact SD-SD 3.71Å; N501-M504 PolarHBondContact O-N 2.84Å; N501-M504 PolarHBondContact OD1-N 2.95Å; D502-M504 VanDerWaalsContact C-N 3.26Å | ||
| 505 | V | 85.3 | Confident | 81.9 | Confident | 30 Ų | 30 | 27.2 Ų | 27.2 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | trans | -83.6 | 130.5 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | K427 M500 N501 A503 K507 | K427-V505 HydrophobicContact CD-CG1 3.75Å; M500-V505 WeakPolarHBondContact CA-O 3.22Å; N501-V505 PolarHBondContact N-O 3.34Å; N501-V505 WeakPolarHBondContact OD1-CB 3.47Å; N501-V505 PolarHBondContact OD1-N 2.97Å; N501-V505 PolarHBondContact OD1-O 3.27Å; A503-V505 HydrophobicContact CB-CG2 4.24Å; A503-V505 PolarHBondContact O-N 3.41Å; A503-V505 VanDerWaalsContact O-N 3.13Å; V505-K507 HydrophobicContact CG1-CG 4.32Å | ||
| 506 | V | 93.9 | Very high | 79.6 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.2 | 173.5 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | L453 M472 D475 V476 C498 L499 M500 | L453-V506 HydrophobicContact CD1-CG2 4.15Å; L453-V506 HydrophobicContact CD2-CG1 4.11Å; M472-V506 HydrophobicContact CB-CG2 3.99Å; M472-V506 HydrophobicContact CG-CG2 3.94Å; D475-V506 HydrophobicContact CB-CB 3.85Å; D475-V506 PolarHBondContact OD2-N 2.81Å; V476-V506 HydrophobicContact CG2-CB 4.39Å; V476-V506 HydrophobicContact CG2-CG1 3.55Å; C498-V506 HydrophobicContact CB-CG1 3.72Å; L499-V506 CarbonylContact O-C 3.6Å; L499-V506 WeakPolarHBondContact O-CA 3.33Å; M500-V506 HydrophobicContact CE-CG2 3.56Å |
| 507 | K | 95.3 | Very high | 77.6 | Confident | 18 Ų | 18 | 28.9 Ų | 28.9 | 8% | 0.078 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.2 | 173.4 | -55.8 | -168.2 | 179.3 | -169.3 | 0 | 110.7 | P426 K427 V429 E446 M448 C498 L499 V505 | P426-K507 WeakPolarHBondContact O-CE 3.44Å; K427-K507 CarbonylContact O-C 3.58Å; K427-K507 VanDerWaalsContact O-CA 3.26Å; K427-K507 WeakPolarHBondContact O-CA 3.36Å; V429-K507 HydrophobicContact CG2-CB 3.69Å; E446-K507 IonicContact OE1-NZ 2.75Å; E446-K507 PolarHBondContact OE1-NZ 3.26Å; E446-K507 IonicContact OE2-NZ 3.29Å; E446-K507 PolarHBondContact OE2-NZ 3.42Å; M448-K507 HydrophobicContact CE-CB 3.83Å; M448-K507 HydrophobicContact CE-CD 3.79Å; M448-K507 HydrophobicContact CE-CG 3.69Å; M448-K507 HydrophobicContact SD-CD 4.11Å; C498-K507 CarbonylContact C-O 3.45Å; C498-K507 WeakPolarHBondContact CA-O 3.43Å; L499-K507 PolarHBondContact N-O 3.06Å; L499-K507 PolarHBondContact O-N 3.36Å; V505-K507 HydrophobicContact CG1-CG 4.32Å |
| 508 | V | 95.7 | Very high | 75 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 129.3 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | K427 L428 V429 V476 M480 H490 L493 | K427-V508 PolarHBondContact O-N 3.31Å; L428-V508 HydrophobicContact CD2-CB 3.74Å; L428-V508 HydrophobicContact CD2-CG1 4.49Å; L428-V508 HydrophobicContact CD2-CG2 4.34Å; V429-V508 PolarHBondContact N-O 3.36Å; V476-V508 HydrophobicContact CB-CG2 4.47Å; V476-V508 HydrophobicContact CG1-CG2 3.98Å; M480-V508 HydrophobicContact CG-CG2 4.41Å; M480-V508 HydrophobicContact SD-CG1 4.18Å; M480-V508 HydrophobicContact SD-CG2 4.48Å; H490-V508 VanDerWaalsContact CD2-CG1 3.44Å; H490-V508 WeakPolarHBondContact CD2-CG1 3.24Å; H490-V508 WeakPolarHBondContact NE2-CG1 3.43Å; L493-V508 HydrophobicContact CD1-CG1 4.09Å |
| 509 | S | 91.1 | Very high | 72.6 | Confident | 5 Ų | 5 | 41.2 Ų | 41.2 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | trans | -121.3 | 176.1 | -178.6 | 77.8 | 0 | 0 | 0 | 0 | 111 | H490 N497 F511 | H490-S509 PolarHBondContact NE2-O 3.18Å; N497-S509 PolarHBondContact O-N 2.96Å; N497-S509 PolarHBondContact O-OG 2.9Å; S509-F511 PolarHBondContact O-N 2.73Å | ||
| 510 | D | 78 | Confident | 70.7 | Confident | 57 Ų | 57 | 44 Ų | 44 | 31% | 0.305 | 23% | 0.228 | S | C | . | . | trans | 57.9 | 18.8 | 172.5 | -78 | -23.1 | 0 | 0 | 0 | 115.2 | K401 N497 G512 | K401-D510 VanDerWaalsContact NZ-CG 3.26Å; K401-D510 IonicContact NZ-OD1 3.63Å; K401-D510 PolarHBondContact NZ-OD1 3.27Å; K401-D510 IonicContact NZ-OD2 2.68Å; K401-D510 PolarHBondContact NZ-OD2 3.15Å; N497-D510 HydrophobicContact CB-CB 4.31Å; D510-G512 PolarHBondContact O-N 3.3Å | ||
| 511 | F | 62 | Low | 68.9 | Low | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -65.2 | 8.6 | 158 | 65.5 | -93.4 | 0 | 0 | 0 | 112.3 | M420 L423 L428 V429 L483 S509 M513 A514 | M420-F511 HydrophobicContact CB-CE2 4.3Å; M420-F511 HydrophobicContact CG-CD2 4.32Å; M420-F511 HydrophobicContact CG-CE2 4.41Å; L423-F511 HydrophobicContact CD1-CD2 4.3Å; L423-F511 HydrophobicContact CD1-CE2 4.09Å; L428-F511 HydrophobicContact CB-CE1 4.23Å; V429-F511 WeakPolarHBondContact O-CE1 2.93Å; V429-F511 WeakPolarHBondContact O-CZ 3.27Å; L483-F511 HydrophobicContact CD1-CB 4.47Å; S509-F511 PolarHBondContact O-N 2.73Å; F511-M513 PolarHBondContact O-N 3.39Å; F511-A514 HydrophobicContact CB-CB 3.87Å; F511-A514 WeakPolarHBondContact O-CA 3.42Å; F511-A514 WeakPolarHBondContact O-CB 3.4Å; F511-A514 PolarHBondContact O-N 3.41Å |
| 512 | G | 53.2 | Low | 68 | Low | 15 Ų | 15 | 49.5 Ų | 49.5 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -69.3 | -0.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | M420 D510 | M420-G512 VanDerWaalsContact CE-CA 3.48Å; D510-G512 PolarHBondContact O-N 3.3Å |
| 513 | M | 55.7 | Low | 67.3 | Low | 56 Ų | 56 | 48.9 Ų | 48.9 | 28% | 0.276 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -114 | 5.8 | 162.3 | -64.9 | -153.8 | 76.5 | 0 | 0 | 112.5 | Y384 M408 R491 F511 | Y384-M513 HydrophobicContact CD1-SD 3.46Å; Y384-M513 WeakPolarHBondContact CD1-SD 3.45Å; Y384-M513 HydrophobicContact CE1-SD 3.22Å; Y384-M513 WeakPolarHBondContact CE1-SD 3.18Å; Y384-M513 HydrophobicContact CG-SD 4.48Å; M408-M513 HydrophobicContact CE-CE 3.7Å; M408-M513 HydrophobicContact CE-CG 3.97Å; R491-M513 PolarHBondContact NH1-O 3.05Å; R491-M513 VanDerWaalsContact NH1-O 3.1Å; F511-M513 PolarHBondContact O-N 3.39Å |
| 514 | A | 56.2 | Low | 66.8 | Low | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -65.6 | 138.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | F488 I489 F511 | F488-A514 HydrophobicContact CD1-CB 4.17Å; I489-A514 WeakPolarHBondContact O-CA 3.27Å; I489-A514 WeakPolarHBondContact O-CB 3.38Å; F511-A514 HydrophobicContact CB-CB 3.87Å; F511-A514 WeakPolarHBondContact O-CA 3.42Å; F511-A514 WeakPolarHBondContact O-CB 3.4Å; F511-A514 PolarHBondContact O-N 3.41Å | ||
| 515 | R | 62.3 | Low | 65.9 | Low | 67 Ų | 67 | 51.4 Ų | 51.4 | 25% | 0.253 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 138.4 | 174.9 | -69.7 | -141 | -156.7 | -133.6 | 10.6 | 109.4 | E416 I489 V517 Y522 | E416-R515 IonicContact OE1-NH1 3.7Å; E416-R515 PolarHBondContact OE1-NH1 2.92Å; I489-R515 PolarHBondContact N-O 2.87Å; I489-R515 PolarHBondContact O-N 3.34Å; R515-V517 HydrophobicContact CB-CG2 4Å; R515-Y522 PolarHBondContact NE-OH 3.4Å; R515-Y522 PolarHBondContact NH2-OH 2.73Å |
| 516 | Y | 50.1 | Low | 64.1 | Low | 97 Ų | 97 | 60 Ų | 60 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.2 | 162 | -179.1 | -103.9 | 0 | 0 | 0 | 109 | L419 N487 F488 L518 | L419-Y516 HydrophobicContact CD1-CD1 4.42Å; L419-Y516 HydrophobicContact CD1-CG 4.23Å; N487-Y516 HydrophobicContact CB-CE2 4.17Å; F488-Y516 HydrophobicContact CD2-CD2 4.18Å; F488-Y516 AromaticContact CE2-CD2 3.76Å; F488-Y516 HydrophobicContact CE2-CD2 3.76Å; F488-Y516 HydrophobicContact CZ-CD2 4.11Å; Y516-L518 HydrophobicContact CE1-CD1 4.43Å; Y516-L518 HydrophobicContact CE1-CD2 3.7Å; Y516-L518 HydrophobicContact CE1-CG 3.71Å; Y516-L518 WeakPolarHBondContact OH-CD2 3.47Å |
| 517 | V | 52.2 | Low | 62.1 | Low | 12 Ų | 12 | 63.7 Ų | 63.7 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | trans | -132.5 | 113.4 | -174.6 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | N487 I489 R515 Q521 | N487-V517 PolarHBondContact O-N 3.48Å; N487-V517 VanDerWaalsContact O-N 3.15Å; I489-V517 HydrophobicContact CD1-CB 3.88Å; I489-V517 HydrophobicContact CD1-CG1 4.21Å; I489-V517 HydrophobicContact CD1-CG2 3.63Å; I489-V517 HydrophobicContact CG1-CB 4.44Å; I489-V517 HydrophobicContact CG1-CG2 4.26Å; R515-V517 HydrophobicContact CB-CG2 4Å; V517-Q521 VanDerWaalsContact CG1-O 3.25Å; V517-Q521 WeakPolarHBondContact CG1-O 3.31Å | ||
| 518 | L | 38.9 | Very low | 60.3 | Low | 125 Ų | 125 | 64.4 Ų | 64.4 | 65% | 0.654 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29 | -179.1 | -73.5 | 161.3 | 0 | 0 | 0 | 113.6 | Y516 | Y516-L518 HydrophobicContact CE1-CD1 4.43Å; Y516-L518 HydrophobicContact CE1-CD2 3.7Å; Y516-L518 HydrophobicContact CE1-CG 3.71Å; Y516-L518 WeakPolarHBondContact OH-CD2 3.47Å |
| 519 | D | 45.6 | Very low | 59 | Low | 143 Ų | 143 | 72.8 Ų | 72.8 | 77% | 0.765 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 24.2 | -172.6 | -68.3 | -27.3 | 0 | 0 | 0 | 113 | Q521 | D519-Q521 PolarHBondContact O-N 3.33Š|
| 520 | N | 55.5 | Low | 58.2 | Low | 96 Ų | 96 | 75.1 Ų | 75.1 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 53.9 | 6.4 | -179.9 | -68.3 | -14 | 0 | 0 | 0 | 116.4 | S546 | N520-S546 WeakPolarHBondContact O-CA 3.16Å; N520-S546 WeakPolarHBondContact O-CB 3.48Å |
| 521 | Q | 53.8 | Low | 58.7 | Low | 100 Ų | 100 | 73.3 Ų | 73.3 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 135 | 179.7 | -176.7 | 170.6 | 85.6 | 0 | 0 | 111.3 | V517 D519 F545 | V517-Q521 VanDerWaalsContact CG1-O 3.25Å; V517-Q521 WeakPolarHBondContact CG1-O 3.31Å; D519-Q521 PolarHBondContact O-N 3.33Å; Q521-F545 CarbonylContact C-O 3.49Å; Q521-F545 VanDerWaalsContact CA-O 3.26Å; Q521-F545 WeakPolarHBondContact CA-O 3.26Å |
| 522 | Y | 66.5 | Low | 60.2 | Low | 41 Ų | 41 | 74 Ų | 74 | 16% | 0.161 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.6 | 175.5 | 171.8 | -100.8 | 0 | 0 | 0 | 110.2 | R515 F545 | R515-Y522 PolarHBondContact NE-OH 3.4Å; R515-Y522 PolarHBondContact NH2-OH 2.73Å; Y522-F545 HydrophobicContact CD1-CB 4.48Å; Y522-F545 HydrophobicContact CD1-CD2 4.01Å; Y522-F545 PolarHBondContact N-O 3.23Å; Y522-F545 PolarHBondContact O-N 2.77Å |
| 523 | T | 68.1 | Low | 62.2 | Low | 82 Ų | 82 | 74.5 Ų | 74.5 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.8 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 109.4 | C543 | T523-C543 WeakPolarHBondContact CA-O 3.45Å |
| 524 | S | 63.2 | Low | 64.2 | Low | 13 Ų | 13 | 72.6 Ų | 72.6 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 155 | 177.7 | -165.8 | 0 | 0 | 0 | 0 | 112 | A528 C543 | S524-A528 VanDerWaalsContact OG-CB 3.28Å; S524-A528 WeakPolarHBondContact OG-CB 3.41Å; S524-C543 PolarHBondContact N-O 2.78Å |
| 525 | T | 61.8 | Low | 66 | Low | 112 Ų | 112 | 72.9 Ų | 72.9 | 69% | 0.687 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 144.1 | 169.1 | 47.2 | 0 | 0 | 0 | 0 | 110.9 | G527 A528 | T525-G527 PolarHBondContact O-N 3.45Å; T525-A528 PolarHBondContact O-N 2.84Å |
| 526 | K | 47.4 | Very low | 67.7 | Low | 212 Ų | 212 | 69.7 Ų | 69.7 | 92% | 0.922 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 125.1 | 178.1 | -73 | -176.4 | 175.1 | -177.1 | 0 | 110 | ||
| 527 | G | 52 | Low | 69.8 | Low | 76 Ų | 76 | 65.9 Ų | 65.9 | 78% | 0.784 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.6 | -0.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116 | T525 K529 | T525-G527 PolarHBondContact O-N 3.45Å; G527-K529 PolarHBondContact O-N 3.35Å |
| 528 | A | 57.6 | Low | 71.8 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -64.5 | 132 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S524 T525 F530 | S524-A528 VanDerWaalsContact OG-CB 3.28Å; S524-A528 WeakPolarHBondContact OG-CB 3.41Å; T525-A528 PolarHBondContact O-N 2.84Å; A528-F530 VanDerWaalsContact O-CD1 3.28Å; A528-F530 WeakPolarHBondContact O-CD1 3.34Å | ||
| 529 | K | 67.2 | Low | 74.3 | Confident | 176 Ų | 176 | 60.4 Ų | 60.4 | 77% | 0.765 | 33% | 0.327 | S | S | * | . | trans | -77.4 | 128.6 | 173.8 | -65.9 | -177.4 | 179.3 | -179.3 | 0 | 109.5 | G527 | G527-K529 PolarHBondContact O-N 3.35Š| ||
| 530 | F | 75.6 | Confident | 76.3 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | trans | -135 | 158 | 177.9 | 55.4 | -98.3 | 0 | 0 | 0 | 110.5 | A528 V532 S535 V539 F540 F545 | A528-F530 VanDerWaalsContact O-CD1 3.28Å; A528-F530 WeakPolarHBondContact O-CD1 3.34Å; F530-V532 HydrophobicContact CD2-CG2 4.27Å; F530-V532 HydrophobicContact CE2-CG2 3.89Å; F530-V532 PolarHBondContact O-N 3.19Å; F530-S535 WeakPolarHBondContact CD2-OG 3.42Å; F530-V539 HydrophobicContact CD2-CG1 4.12Å; F530-V539 HydrophobicContact CE2-CG1 4.49Å; F530-V539 HydrophobicContact CG-CG1 4.2Å; F530-F540 HydrophobicContact CE2-CB 3.59Å; F530-F540 HydrophobicContact CZ-CB 3.66Å; F530-F545 HydrophobicContact CB-CZ 4.35Å | ||
| 531 | P | 88.3 | Confident | 77.9 | Confident | 20 Ų | 20 | 54 Ų | 54 | 13% | 0.13 | 29% | 0.292 | C | S | . | . | trans | -75.8 | 87.3 | -177.1 | 34.7 | -41.5 | 0 | 0 | 0 | 111.6 | D492 R496 K533 W534 S535 | D492-P531 VanDerWaalsContact OD1-CG 3.25Å; D492-P531 WeakPolarHBondContact OD1-CG 3.36Å; R496-P531 VanDerWaalsContact NH2-CB 3.33Å; P531-K533 VanDerWaalsContact C-N 3.27Å; P531-K533 PolarHBondContact O-N 3.35Å; P531-K533 VanDerWaalsContact O-N 3.07Å; P531-W534 HydrophobicContact CB-CB 4.39Å; P531-W534 HydrophobicContact CB-CE3 3.93Å; P531-W534 HydrophobicContact CG-CB 4.34Å; P531-W534 PolarHBondContact O-N 3.16Å; P531-S535 PolarHBondContact O-N 3.43Å; P531-S535 PolarHBondContact O-OG 2.72Å | ||
| 532 | V | 92.5 | Very high | 79.5 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -46.2 | -46.4 | -172.5 | 179 | 0 | 0 | 0 | 0 | 113.5 | F530 W534 S535 N574 V578 | F530-V532 HydrophobicContact CD2-CG2 4.27Å; F530-V532 HydrophobicContact CE2-CG2 3.89Å; F530-V532 PolarHBondContact O-N 3.19Å; V532-W534 PolarHBondContact O-N 3.09Å; V532-S535 PolarHBondContact O-N 3.17Å; V532-S535 VanDerWaalsContact O-N 3.1Å; V532-N574 HydrophobicContact CB-CB 4.07Å; V532-N574 HydrophobicContact CG1-CB 3.97Å; V532-N574 HydrophobicContact CG2-CB 4.1Å; V532-V578 HydrophobicContact CG1-CG2 3.75Å |
| 533 | K | 96.4 | Very high | 80.5 | Confident | 24 Ų | 24 | 55.4 Ų | 55.4 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -69.1 | -12.8 | -176.5 | -68.1 | 173.2 | 165 | -148.4 | 0 | 115.2 | P531 P568 F569 S572 V577 | P531-K533 VanDerWaalsContact C-N 3.27Å; P531-K533 PolarHBondContact O-N 3.35Å; P531-K533 VanDerWaalsContact O-N 3.07Å; K533-P568 HydrophobicContact CB-CB 4.41Å; K533-P568 VanDerWaalsContact CD-O 3.27Å; K533-P568 WeakPolarHBondContact CD-O 3.12Å; K533-P568 PolarHBondContact NZ-O 3.26Å; K533-P568 VanDerWaalsContact NZ-O 3.11Å; K533-F569 HydrophobicContact CB-CD2 4.45Å; K533-F569 HydrophobicContact CG-CD2 4.45Å; K533-F569 PolarHBondContact NZ-O 2.84Å; K533-S572 WeakPolarHBondContact CE-O 3.4Å; K533-S572 PolarHBondContact NZ-O 3.15Å; K533-V577 HydrophobicContact CG-CG1 4.42Å; K533-V577 HydrophobicContact CG-CG2 4.31Å |
| 534 | W | 96.7 | Very high | 81.5 | Confident | 17 Ų | 17 | 55.3 Ų | 55.3 | 6% | 0.064 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -110 | -2.5 | 175 | -69 | -103.5 | 0 | 0 | 0 | 112.3 | A494 R496 P531 V532 W552 S553 V556 E560 M567 P568 | A494-W534 HydrophobicContact CB-CD2 4.35Å; A494-W534 HydrophobicContact CB-CG 4.26Å; A494-W534 HydrophobicContact CB-CZ2 4.48Å; R496-W534 VanDerWaalsContact NH1-CH2 3.32Å; R496-W534 VanDerWaalsContact NH1-CZ2 3.34Å; P531-W534 HydrophobicContact CB-CB 4.39Å; P531-W534 HydrophobicContact CB-CE3 3.93Å; P531-W534 HydrophobicContact CG-CB 4.34Å; P531-W534 PolarHBondContact O-N 3.16Å; V532-W534 PolarHBondContact O-N 3.09Å; W534-W552 VanDerWaalsContact O-CD1 3.28Å; W534-S553 PolarHBondContact O-OG 3.04Å; W534-V556 VanDerWaalsContact CD1-CG1 3.44Å; W534-V556 HydrophobicContact CD2-CG1 4.43Å; W534-V556 HydrophobicContact CG-CB 4.41Å; W534-V556 HydrophobicContact CG-CG1 3.97Å; W534-E560 WeakPolarHBondContact CZ2-OE1 3.3Å; W534-E560 VanDerWaalsContact NE1-CD 3.33Å; W534-E560 PolarHBondContact NE1-OE2 2.65Å; W534-M567 HydrophobicContact CH2-CE 3.36Å; W534-M567 HydrophobicContact CH2-SD 3.83Å; W534-M567 HydrophobicContact CZ2-CE 3.69Å; W534-P568 HydrophobicContact CH2-CG 4.5Å; W534-P568 HydrophobicContact CZ2-CG 3.92Å |
| 535 | S | 95.3 | Very high | 82.7 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | trans | -96.5 | 136.6 | -170.3 | -61 | 0 | 0 | 0 | 0 | 111.2 | F530 P531 V532 | F530-S535 WeakPolarHBondContact CD2-OG 3.42Å; P531-S535 PolarHBondContact O-N 3.43Å; P531-S535 PolarHBondContact O-OG 2.72Å; V532-S535 PolarHBondContact O-N 3.17Å; V532-S535 VanDerWaalsContact O-N 3.1Å | ||
| 536 | P | 96.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -76.7 | 167 | 174.9 | 33.9 | -39.4 | 0 | 0 | 0 | 112.6 | E538 V539 F540 W552 | P536-E538 VanDerWaalsContact C-N 3.32Å; P536-E538 WeakPolarHBondContact CB-OE1 3.27Å; P536-E538 WeakPolarHBondContact CB-OE2 3.41Å; P536-E538 HydrophobicContact CG-CG 4.4Å; P536-E538 WeakPolarHBondContact CG-OE1 3.12Å; P536-E538 PolarHBondContact O-N 2.91Å; P536-V539 HydrophobicContact CG-CB 4.1Å; P536-V539 HydrophobicContact CG-CG2 3.65Å; P536-V539 WeakPolarHBondContact O-CB 3.41Å; P536-V539 PolarHBondContact O-N 2.76Å; P536-F540 WeakPolarHBondContact O-CD1 3.4Å; P536-F540 PolarHBondContact O-N 2.82Å; P536-W552 HydrophobicContact CB-CB 3.84Å; P536-W552 HydrophobicContact CB-CD2 3.51Å; P536-W552 HydrophobicContact CB-CE3 3.69Å; P536-W552 HydrophobicContact CB-CG 3.57Å; P536-W552 HydrophobicContact CB-CZ3 4.42Å; P536-W552 HydrophobicContact CG-CB 4.17Å; P536-W552 HydrophobicContact CG-CG 4.25Å | ||
| 537 | P | 94.6 | Very high | 86.5 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -51.2 | -42.4 | 180 | -28.5 | 35.7 | 0 | 0 | 0 | 115.9 | V539 F540 N541 W552 V581 | P537-V539 PolarHBondContact O-N 2.84Å; P537-F540 HydrophobicContact CB-CE1 4.47Å; P537-F540 HydrophobicContact CB-CE2 4.19Å; P537-F540 HydrophobicContact CB-CZ 3.92Å; P537-F540 HydrophobicContact CG-CE1 4.41Å; P537-F540 HydrophobicContact CG-CZ 4.01Å; P537-F540 PolarHBondContact O-N 3.29Å; P537-N541 WeakPolarHBondContact O-CB 3.39Å; P537-N541 VanDerWaalsContact O-CG 3.29Å; P537-N541 PolarHBondContact O-N 3.35Å; P537-N541 PolarHBondContact O-ND2 3.04Å; P537-N541 VanDerWaalsContact O-ND2 3.16Å; P537-W552 HydrophobicContact CG-CH2 4.37Å; P537-V581 HydrophobicContact CG-CG1 4.07Å |
| 538 | E | 94.2 | Very high | 88.6 | Confident | 21 Ų | 21 | 39.7 Ų | 39.7 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -24.5 | -179.5 | 69.4 | -79.7 | -175 | 0 | 0 | 113.7 | P536 Y542 C543 K544 P609 R612 | P536-E538 VanDerWaalsContact C-N 3.32Å; P536-E538 WeakPolarHBondContact CB-OE1 3.27Å; P536-E538 WeakPolarHBondContact CB-OE2 3.41Å; P536-E538 HydrophobicContact CG-CG 4.4Å; P536-E538 WeakPolarHBondContact CG-OE1 3.12Å; P536-E538 PolarHBondContact O-N 2.91Å; E538-Y542 HydrophobicContact CB-CD2 4.43Å; E538-Y542 CarbonylContact O-C 3.48Å; E538-Y542 WeakPolarHBondContact O-CA 3.32Å; E538-Y542 WeakPolarHBondContact O-CB 3.38Å; E538-Y542 PolarHBondContact O-N 3.15Å; E538-Y542 VanDerWaalsContact O-N 3.12Å; E538-C543 PolarHBondContact O-N 2.88Å; E538-K544 HydrophobicContact CB-CB 4.48Å; E538-K544 PolarHBondContact O-N 3.32Å; E538-P609 HydrophobicContact CG-CG 4.16Å; E538-R612 IonicContact OE1-CZ 2.7Å; E538-R612 IonicContact OE1-NH1 3.94Å; E538-R612 PolarHBondContact OE1-NH1 3.24Å; E538-R612 IonicContact OE1-NH2 3.46Å; E538-R612 PolarHBondContact OE1-NH2 3.36Å; E538-R612 IonicContact OE2-CZ 2.7Å; E538-R612 IonicContact OE2-NH1 2.67Å; E538-R612 IonicContact OE2-NH2 2.67Å; E538-R612 PolarHBondContact OE2-NH2 3.34Å |
| 539 | V | 91.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.4 | -50.8 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | F530 P536 P537 C543 K544 F545 | F530-V539 HydrophobicContact CD2-CG1 4.12Å; F530-V539 HydrophobicContact CE2-CG1 4.49Å; F530-V539 HydrophobicContact CG-CG1 4.2Å; P536-V539 HydrophobicContact CG-CB 4.1Å; P536-V539 HydrophobicContact CG-CG2 3.65Å; P536-V539 WeakPolarHBondContact O-CB 3.41Å; P536-V539 PolarHBondContact O-N 2.76Å; P537-V539 PolarHBondContact O-N 2.84Å; V539-C543 WeakPolarHBondContact O-CA 3.49Å; V539-C543 PolarHBondContact O-N 2.83Å; V539-K544 WeakPolarHBondContact CG2-O 3.45Å; V539-F545 HydrophobicContact CG1-CD1 4.3Å; V539-F545 HydrophobicContact CG1-CE1 3.6Å; V539-F545 HydrophobicContact CG1-CE2 4.35Å; V539-F545 HydrophobicContact CG1-CZ 3.62Å; V539-F545 HydrophobicContact CG2-CD1 3.96Å; V539-F545 HydrophobicContact CG2-CE1 4.09Å; V539-F545 HydrophobicContact CG2-CG 4.39Å |
| 540 | F | 88.4 | Confident | 91.9 | Very high | 27 Ų | 27 | 30 Ų | 30 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.8 | -26.2 | -177.2 | 56.3 | -113.2 | 0 | 0 | 0 | 113.9 | F530 P536 P537 V578 V581 | F530-F540 HydrophobicContact CE2-CB 3.59Å; F530-F540 HydrophobicContact CZ-CB 3.66Å; P536-F540 WeakPolarHBondContact O-CD1 3.4Å; P536-F540 PolarHBondContact O-N 2.82Å; P537-F540 HydrophobicContact CB-CE1 4.47Å; P537-F540 HydrophobicContact CB-CE2 4.19Å; P537-F540 HydrophobicContact CB-CZ 3.92Å; P537-F540 HydrophobicContact CG-CE1 4.41Å; P537-F540 HydrophobicContact CG-CZ 4.01Å; P537-F540 PolarHBondContact O-N 3.29Å; F540-V578 HydrophobicContact CB-CG2 4.48Å; F540-V578 HydrophobicContact CD1-CG2 4.43Å; F540-V578 HydrophobicContact CD2-CG1 3.82Å; F540-V578 HydrophobicContact CD2-CG2 4.2Å; F540-V578 HydrophobicContact CE2-CB 4.45Å; F540-V578 HydrophobicContact CE2-CG1 3.71Å; F540-V578 HydrophobicContact CE2-CG2 4.48Å; F540-V578 HydrophobicContact CG-CG2 4.16Å; F540-V578 HydrophobicContact CZ-CG1 4.36Å; F540-V581 HydrophobicContact CE1-CG1 4.26Å; F540-V581 HydrophobicContact CZ-CB 4.39Å; F540-V581 HydrophobicContact CZ-CG1 4.18Å |
| 541 | N | 87.8 | Confident | 93 | Very high | 78 Ų | 78 | 27.4 Ų | 27.4 | 42% | 0.417 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -83.1 | -36.8 | 176.1 | -68.3 | -31.9 | 0 | 0 | 0 | 112.9 | P537 | P537-N541 WeakPolarHBondContact O-CB 3.39Å; P537-N541 VanDerWaalsContact O-CG 3.29Å; P537-N541 PolarHBondContact O-N 3.35Å; P537-N541 PolarHBondContact O-ND2 3.04Å; P537-N541 VanDerWaalsContact O-ND2 3.16Å |
| 542 | Y | 87.9 | Confident | 93.5 | Very high | 150 Ų | 150 | 26.9 Ų | 26.9 | 59% | 0.588 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -131.3 | 1.5 | -168.2 | -47.6 | -63.5 | 0 | 0 | 0 | 114.6 | E538 K544 | E538-Y542 HydrophobicContact CB-CD2 4.43Å; E538-Y542 CarbonylContact O-C 3.48Å; E538-Y542 WeakPolarHBondContact O-CA 3.32Å; E538-Y542 WeakPolarHBondContact O-CB 3.38Å; E538-Y542 PolarHBondContact O-N 3.15Å; E538-Y542 VanDerWaalsContact O-N 3.12Å; Y542-K544 PolarHBondContact O-N 2.82Å |
| 543 | C | 86.5 | Confident | 93.8 | Very high | 21 Ų | 21 | 26 Ų | 26 | 14% | 0.142 | 12% | 0.123 | C | C | . | . | trans | 54.1 | 32.2 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | T523 S524 E538 V539 F545 | T523-C543 WeakPolarHBondContact CA-O 3.45Å; S524-C543 PolarHBondContact N-O 2.78Å; E538-C543 PolarHBondContact O-N 2.88Å; V539-C543 WeakPolarHBondContact O-CA 3.49Å; V539-C543 PolarHBondContact O-N 2.83Å; C543-F545 WeakPolarHBondContact O-CD2 3.37Å | ||
| 544 | K | 89.1 | Confident | 93.9 | Very high | 79 Ų | 79 | 24.8 Ų | 24.8 | 34% | 0.343 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.7 | -179.5 | -72.1 | -177.7 | 176.9 | -174.6 | 0 | 110.8 | E538 V539 Y542 | E538-K544 HydrophobicContact CB-CB 4.48Å; E538-K544 PolarHBondContact O-N 3.32Å; V539-K544 WeakPolarHBondContact CG2-O 3.45Å; Y542-K544 PolarHBondContact O-N 2.82Å |
| 545 | F | 89.8 | Confident | 94 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.039 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 143 | 176.1 | -60.7 | -93.3 | 0 | 0 | 0 | 110.2 | I489 R491 Q521 Y522 F530 V539 C543 S549 | I489-F545 HydrophobicContact CG2-CB 4.34Å; R491-F545 HydrophobicContact CB-CD1 3.9Å; R491-F545 HydrophobicContact CB-CE1 4.14Å; R491-F545 HydrophobicContact CG-CB 4.26Å; R491-F545 HydrophobicContact CG-CD1 3.84Å; R491-F545 HydrophobicContact CG-CE1 4.49Å; R491-F545 HydrophobicContact CG-CG 4.16Å; Q521-F545 CarbonylContact C-O 3.49Å; Q521-F545 VanDerWaalsContact CA-O 3.26Å; Q521-F545 WeakPolarHBondContact CA-O 3.26Å; Y522-F545 HydrophobicContact CD1-CB 4.48Å; Y522-F545 HydrophobicContact CD1-CD2 4.01Å; Y522-F545 PolarHBondContact N-O 3.23Å; Y522-F545 PolarHBondContact O-N 2.77Å; F530-F545 HydrophobicContact CB-CZ 4.35Å; V539-F545 HydrophobicContact CG1-CD1 4.3Å; V539-F545 HydrophobicContact CG1-CE1 3.6Å; V539-F545 HydrophobicContact CG1-CE2 4.35Å; V539-F545 HydrophobicContact CG1-CZ 3.62Å; V539-F545 HydrophobicContact CG2-CD1 3.96Å; V539-F545 HydrophobicContact CG2-CE1 4.09Å; V539-F545 HydrophobicContact CG2-CG 4.39Å; C543-F545 WeakPolarHBondContact O-CD2 3.37Å; F545-S549 WeakPolarHBondContact CA-OG 3.43Å |
| 546 | S | 92.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 171.6 | 176.9 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | N520 K548 S549 D550 | N520-S546 WeakPolarHBondContact O-CA 3.16Å; N520-S546 WeakPolarHBondContact O-CB 3.48Å; S546-K548 PolarHBondContact O-N 2.85Å; S546-K548 PolarHBondContact OG-N 2.85Å; S546-S549 PolarHBondContact N-OG 3.28Å; S546-S549 PolarHBondContact O-N 2.83Å; S546-S549 PolarHBondContact O-OG 3.12Å; S546-S549 PolarHBondContact OG-N 2.9Å; S546-D550 PolarHBondContact O-N 3.32Å |
| 547 | S | 94.6 | Very high | 94.3 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 15% | 0.147 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.5 | -34.4 | 169.7 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | E484 S549 D550 V551 | E484-S547 WeakPolarHBondContact OE1-CB 3.42Å; E484-S547 PolarHBondContact OE1-OG 3.06Å; S547-S549 VanDerWaalsContact C-N 3.3Å; S547-S549 PolarHBondContact O-N 3.48Å; S547-D550 WeakPolarHBondContact O-CB 3.36Å; S547-D550 PolarHBondContact O-N 2.95Å; S547-V551 WeakPolarHBondContact O-CG2 3.49Å; S547-V551 PolarHBondContact O-N 3.44Å |
| 548 | K | 97.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 23 Ų | 23 | 19% | 0.187 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -25.3 | 175.4 | -56.5 | -59.7 | -177.6 | 174.9 | 0 | 114.2 | S546 W552 P609 R612 P613 | S546-K548 PolarHBondContact O-N 2.85Å; S546-K548 PolarHBondContact OG-N 2.85Å; K548-W552 PolarHBondContact O-N 3.13Å; K548-P609 HydrophobicContact CB-CB 3.9Å; K548-P609 WeakPolarHBondContact CB-O 3.38Å; K548-P609 WeakPolarHBondContact CD-O 3.46Å; K548-P609 HydrophobicContact CG-CB 4.5Å; K548-P609 VanDerWaalsContact CG-O 3.26Å; K548-P609 WeakPolarHBondContact CG-O 3.37Å; K548-R612 HydrophobicContact CD-CB 4.31Å; K548-R612 PolarHBondContact NZ-O 3.31Å; K548-R612 WeakPolarHBondContact O-CD 3.38Å; K548-R612 PolarHBondContact O-NH1 2.87Å; K548-P613 PolarHBondContact NZ-O 3.5Å |
| 549 | S | 96.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.014 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -73.8 | -34.1 | 169.7 | 68 | 0 | 0 | 0 | 0 | 112.2 | F545 S546 S547 V551 W552 S553 | F545-S549 WeakPolarHBondContact CA-OG 3.43Å; S546-S549 PolarHBondContact N-OG 3.28Å; S546-S549 PolarHBondContact O-N 2.83Å; S546-S549 PolarHBondContact O-OG 3.12Å; S546-S549 PolarHBondContact OG-N 2.9Å; S547-S549 VanDerWaalsContact C-N 3.3Å; S547-S549 PolarHBondContact O-N 3.48Å; S549-V551 VanDerWaalsContact C-N 3.33Å; S549-W552 WeakPolarHBondContact O-CB 3.49Å; S549-W552 PolarHBondContact O-N 2.94Å; S549-S553 PolarHBondContact O-N 2.92Å; S549-S553 PolarHBondContact O-OG 3.36Å |
| 550 | D | 97.3 | Very high | 95 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.4 | -33.9 | 172.1 | -69.2 | -29.5 | 0 | 0 | 0 | 111.4 | M480 I489 H490 R491 S546 S547 W552 S553 Y554 F615 | M480-D550 HydrophobicContact CE-CB 3.75Å; I489-D550 WeakPolarHBondContact CA-OD2 3.45Å; I489-D550 VanDerWaalsContact CG2-OD2 3.27Å; I489-D550 WeakPolarHBondContact CG2-OD2 3.47Å; H490-D550 PolarHBondContact N-OD2 2.94Å; R491-D550 PolarHBondContact N-OD1 2.99Å; S546-D550 PolarHBondContact O-N 3.32Å; S547-D550 WeakPolarHBondContact O-CB 3.36Å; S547-D550 PolarHBondContact O-N 2.95Å; D550-W552 VanDerWaalsContact C-N 3.3Å; D550-W552 PolarHBondContact O-N 3.41Å; D550-S553 CarbonylContact O-C 3.51Å; D550-S553 WeakPolarHBondContact O-CB 3.39Å; D550-S553 PolarHBondContact O-N 2.85Å; D550-Y554 WeakPolarHBondContact O-CB 3.3Å; D550-Y554 PolarHBondContact O-N 3.09Å; D550-F615 HydrophobicContact CB-CE2 4.04Å; D550-F615 HydrophobicContact CB-CZ 4.08Å |
| 551 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -40.4 | 173 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | S547 S549 Y554 G555 C604 R612 P613 F615 L618 | S547-V551 WeakPolarHBondContact O-CG2 3.49Å; S547-V551 PolarHBondContact O-N 3.44Å; S549-V551 VanDerWaalsContact C-N 3.33Å; V551-Y554 WeakPolarHBondContact O-CB 3.27Å; V551-Y554 PolarHBondContact O-N 3.14Å; V551-G555 PolarHBondContact O-N 3.27Å; V551-C604 HydrophobicContact CG1-CB 4.12Å; V551-C604 WeakPolarHBondContact O-CB 3.3Å; V551-R612 HydrophobicContact CG1-CB 3.92Å; V551-P613 HydrophobicContact CG1-CG 4.47Å; V551-P613 WeakPolarHBondContact CG2-O 3.49Å; V551-F615 HydrophobicContact CG2-CD2 4.05Å; V551-F615 HydrophobicContact CG2-CE1 4.5Å; V551-F615 HydrophobicContact CG2-CE2 3.72Å; V551-F615 HydrophobicContact CG2-CZ 3.97Å; V551-L618 HydrophobicContact CG1-CD1 4.06Å |
| 552 | W | 98.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 173.5 | 178.9 | -71.4 | 0 | 0 | 0 | 111.4 | W534 P536 P537 K548 S549 D550 Y554 G555 V556 V581 C604 W605 | W534-W552 VanDerWaalsContact O-CD1 3.28Å; P536-W552 HydrophobicContact CB-CB 3.84Å; P536-W552 HydrophobicContact CB-CD2 3.51Å; P536-W552 HydrophobicContact CB-CE3 3.69Å; P536-W552 HydrophobicContact CB-CG 3.57Å; P536-W552 HydrophobicContact CB-CZ3 4.42Å; P536-W552 HydrophobicContact CG-CB 4.17Å; P536-W552 HydrophobicContact CG-CG 4.25Å; P537-W552 HydrophobicContact CG-CH2 4.37Å; K548-W552 PolarHBondContact O-N 3.13Å; S549-W552 WeakPolarHBondContact O-CB 3.49Å; S549-W552 PolarHBondContact O-N 2.94Å; D550-W552 VanDerWaalsContact C-N 3.3Å; D550-W552 PolarHBondContact O-N 3.41Å; W552-Y554 PolarHBondContact O-N 3.03Å; W552-G555 PolarHBondContact O-N 2.85Å; W552-G555 VanDerWaalsContact O-N 3.16Å; W552-V556 PolarHBondContact O-N 2.78Å; W552-V581 HydrophobicContact CH2-CG1 3.65Å; W552-V581 HydrophobicContact CZ2-CG1 3.54Å; W552-C604 WeakPolarHBondContact CA-O 3.49Å; W552-W605 HydrophobicContact CD2-CB 4.47Å; W552-W605 AromaticContact CD2-CD1 3.72Å; W552-W605 HydrophobicContact CD2-CG 4.46Å; W552-W605 AromaticContact CE2-CD1 3.8Å; W552-W605 HydrophobicContact CE3-CB 4.12Å; W552-W605 AromaticContact CG-CD1 3.96Å; W552-W605 HydrophobicContact CH2-CB 4.09Å; W552-W605 HydrophobicContact CZ2-CB 4.44Å; W552-W605 HydrophobicContact CZ3-CB 3.92Å; W552-W605 VanDerWaalsContact CZ3-O 3.24Å; W552-W605 WeakPolarHBondContact CZ3-O 3.14Å; W552-W605 PolarHBondContact O-NE1 3.07Å |
| 553 | S | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.3 | -35.4 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | L493 W534 S549 D550 V556 L557 | L493-S553 WeakPolarHBondContact O-CB 3.47Å; W534-S553 PolarHBondContact O-OG 3.04Å; S549-S553 PolarHBondContact O-N 2.92Å; S549-S553 PolarHBondContact O-OG 3.36Å; D550-S553 CarbonylContact O-C 3.51Å; D550-S553 WeakPolarHBondContact O-CB 3.39Å; D550-S553 PolarHBondContact O-N 2.85Å; S553-V556 PolarHBondContact O-N 2.79Å; S553-L557 PolarHBondContact O-N 2.86Å |
| 554 | Y | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.5 | -43.6 | 173.7 | -179 | -105.5 | 0 | 0 | 0 | 112.2 | C473 V476 C477 L493 D550 V551 W552 V556 L557 M558 F615 L618 L622 | C473-Y554 PolarHBondContact O-OH 3.11Å; V476-Y554 HydrophobicContact CB-CE2 4.13Å; V476-Y554 HydrophobicContact CG1-CD2 3.93Å; V476-Y554 HydrophobicContact CG1-CE2 3.8Å; C477-Y554 HydrophobicContact CB-CE2 4.2Å; C477-Y554 WeakPolarHBondContact CB-OH 3.42Å; L493-Y554 HydrophobicContact CD2-CD2 4.18Å; L493-Y554 HydrophobicContact CD2-CG 4.48Å; D550-Y554 WeakPolarHBondContact O-CB 3.3Å; D550-Y554 PolarHBondContact O-N 3.09Å; V551-Y554 WeakPolarHBondContact O-CB 3.27Å; V551-Y554 PolarHBondContact O-N 3.14Å; W552-Y554 PolarHBondContact O-N 3.03Å; Y554-V556 VanDerWaalsContact C-N 3.28Å; Y554-V556 PolarHBondContact O-N 3.24Å; Y554-L557 HydrophobicContact CE2-CD2 4.48Å; Y554-L557 CarbonylContact O-C 3.5Å; Y554-L557 WeakPolarHBondContact O-CA 3.48Å; Y554-L557 WeakPolarHBondContact O-CB 3.42Å; Y554-L557 PolarHBondContact O-N 2.86Å; Y554-L557 VanDerWaalsContact O-N 3.07Å; Y554-M558 HydrophobicContact CD1-CG 4.18Å; Y554-M558 HydrophobicContact CD1-SD 3.85Å; Y554-M558 HydrophobicContact CE1-CG 3.76Å; Y554-M558 HydrophobicContact CE1-SD 3.36Å; Y554-M558 WeakPolarHBondContact CE1-SD 3.35Å; Y554-M558 HydrophobicContact CE2-CG 4.37Å; Y554-M558 WeakPolarHBondContact O-CG 3.41Å; Y554-M558 PolarHBondContact O-N 3.27Å; Y554-F615 HydrophobicContact CD1-CE1 4.16Å; Y554-F615 HydrophobicContact CD2-CE1 4.04Å; Y554-F615 AromaticContact CG-CE1 3.7Å; Y554-F615 HydrophobicContact CG-CE1 3.7Å; Y554-L618 HydrophobicContact CD1-CD1 3.78Å; Y554-L618 HydrophobicContact CE1-CD1 4.07Å; Y554-L622 HydrophobicContact CE1-CD1 4.1Å; Y554-L622 WeakPolarHBondContact OH-CD1 3.45Å |
| 555 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.7 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V551 W552 M558 W559 W605 | V551-G555 PolarHBondContact O-N 3.27Å; W552-G555 PolarHBondContact O-N 2.85Å; W552-G555 VanDerWaalsContact O-N 3.16Å; G555-M558 PolarHBondContact O-N 3.41Å; G555-W559 PolarHBondContact O-N 2.88Å; G555-W559 VanDerWaalsContact O-N 3.13Å; G555-W605 VanDerWaalsContact C-CZ2 3.42Å; G555-W605 VanDerWaalsContact O-CZ2 3.24Å; G555-W605 WeakPolarHBondContact O-CZ2 3.44Å |
| 556 | V | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | W534 W552 S553 Y554 W559 E560 P568 L587 W605 | W534-V556 VanDerWaalsContact CD1-CG1 3.44Å; W534-V556 HydrophobicContact CD2-CG1 4.43Å; W534-V556 HydrophobicContact CG-CB 4.41Å; W534-V556 HydrophobicContact CG-CG1 3.97Å; W552-V556 PolarHBondContact O-N 2.78Å; S553-V556 PolarHBondContact O-N 2.79Å; Y554-V556 VanDerWaalsContact C-N 3.28Å; Y554-V556 PolarHBondContact O-N 3.24Å; V556-W559 WeakPolarHBondContact O-CB 3.5Å; V556-W559 PolarHBondContact O-N 2.87Å; V556-E560 WeakPolarHBondContact O-CG 3.28Å; V556-E560 PolarHBondContact O-N 2.67Å; V556-P568 HydrophobicContact CG1-CB 3.97Å; V556-P568 HydrophobicContact CG1-CG 3.48Å; V556-P568 VanDerWaalsContact CG1-CG 3.48Å; V556-L587 HydrophobicContact CG1-CD1 4.12Å; V556-L587 HydrophobicContact CG2-CD1 4.32Å; V556-W605 HydrophobicContact CG2-CZ2 4.33Å |
| 557 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 175 | 178.7 | 157.7 | 0 | 0 | 0 | 111.7 | V476 L493 S553 Y554 W559 E560 V561 | V476-L557 HydrophobicContact CB-CD2 4.48Å; V476-L557 HydrophobicContact CG1-CD1 3.9Å; V476-L557 HydrophobicContact CG1-CD2 4.2Å; V476-L557 HydrophobicContact CG2-CD2 4.4Å; L493-L557 HydrophobicContact CD1-CD1 3.9Å; L493-L557 HydrophobicContact CG-CD1 4Å; S553-L557 PolarHBondContact O-N 2.86Å; Y554-L557 HydrophobicContact CE2-CD2 4.48Å; Y554-L557 CarbonylContact O-C 3.5Å; Y554-L557 WeakPolarHBondContact O-CA 3.48Å; Y554-L557 WeakPolarHBondContact O-CB 3.42Å; Y554-L557 PolarHBondContact O-N 2.86Å; Y554-L557 VanDerWaalsContact O-N 3.07Å; L557-W559 PolarHBondContact O-N 2.87Å; L557-E560 WeakPolarHBondContact O-CB 3.33Å; L557-E560 PolarHBondContact O-N 2.81Å; L557-V561 HydrophobicContact CD2-CG2 3.96Å; L557-V561 WeakPolarHBondContact O-CG2 3.14Å; L557-V561 PolarHBondContact O-N 2.84Å |
| 558 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.5 | -40.7 | 174.9 | -65.4 | 173.3 | 65.9 | 0 | 0 | 110.7 | C473 Y554 G555 V561 F562 L597 I600 M601 L622 | C473-M558 HydrophobicContact CB-CG 4.42Å; Y554-M558 HydrophobicContact CD1-CG 4.18Å; Y554-M558 HydrophobicContact CD1-SD 3.85Å; Y554-M558 HydrophobicContact CE1-CG 3.76Å; Y554-M558 HydrophobicContact CE1-SD 3.36Å; Y554-M558 WeakPolarHBondContact CE1-SD 3.35Å; Y554-M558 HydrophobicContact CE2-CG 4.37Å; Y554-M558 WeakPolarHBondContact O-CG 3.41Å; Y554-M558 PolarHBondContact O-N 3.27Å; G555-M558 PolarHBondContact O-N 3.41Å; M558-V561 PolarHBondContact O-N 3.13Å; M558-F562 WeakPolarHBondContact O-CD2 3.46Å; M558-F562 PolarHBondContact O-N 3.35Å; M558-L597 HydrophobicContact CE-CD1 3.42Å; M558-L597 VanDerWaalsContact CE-CD1 3.42Å; M558-L597 HydrophobicContact CE-CG 4.06Å; M558-I600 HydrophobicContact CE-CG2 4.34Å; M558-M601 HydrophobicContact CB-CE 3.87Å; M558-M601 HydrophobicContact CB-CG 4.13Å; M558-M601 HydrophobicContact CB-SD 4.32Å; M558-M601 HydrophobicContact CE-CE 4.26Å; M558-M601 HydrophobicContact CE-CG 3.94Å; M558-M601 HydrophobicContact SD-CG 4.23Å; M558-L622 HydrophobicContact CE-CD2 3.53Å |
| 559 | W | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 0% | 0.004 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 173.9 | -175.6 | 95.9 | 0 | 0 | 0 | 112.3 | G555 V556 L557 V561 F562 T563 Q566 P568 L587 F588 P590 M601 W605 | G555-W559 PolarHBondContact O-N 2.88Å; G555-W559 VanDerWaalsContact O-N 3.13Å; V556-W559 WeakPolarHBondContact O-CB 3.5Å; V556-W559 PolarHBondContact O-N 2.87Å; L557-W559 PolarHBondContact O-N 2.87Å; W559-V561 VanDerWaalsContact C-N 3.33Å; W559-V561 PolarHBondContact O-N 2.75Å; W559-F562 PolarHBondContact O-N 2.99Å; W559-T563 HydrophobicContact CD2-CG2 3.93Å; W559-T563 HydrophobicContact CE3-CG2 4.27Å; W559-T563 HydrophobicContact CH2-CG2 4.07Å; W559-T563 HydrophobicContact CZ2-CG2 3.71Å; W559-T563 HydrophobicContact CZ3-CG2 4.32Å; W559-T563 WeakPolarHBondContact O-CB 3.47Å; W559-T563 WeakPolarHBondContact O-CG2 3.25Å; W559-T563 PolarHBondContact O-N 2.96Å; W559-T563 PolarHBondContact O-OG1 2.95Å; W559-Q566 HydrophobicContact CH2-CB 3.88Å; W559-Q566 HydrophobicContact CH2-CG 3.87Å; W559-Q566 HydrophobicContact CZ3-CB 4Å; W559-Q566 HydrophobicContact CZ3-CG 4.37Å; W559-P568 HydrophobicContact CE3-CB 4.48Å; W559-P568 HydrophobicContact CE3-CG 4.16Å; W559-P568 HydrophobicContact CZ3-CB 4.28Å; W559-P568 HydrophobicContact CZ3-CG 4.09Å; W559-L587 HydrophobicContact CB-CD1 4.11Å; W559-L587 HydrophobicContact CD2-CB 4.34Å; W559-L587 HydrophobicContact CD2-CD1 3.85Å; W559-L587 HydrophobicContact CD2-CD2 4.36Å; W559-L587 HydrophobicContact CD2-CG 4.41Å; W559-L587 HydrophobicContact CE3-CD1 4.18Å; W559-L587 HydrophobicContact CG-CB 4.11Å; W559-L587 HydrophobicContact CG-CD1 3.81Å; W559-L587 HydrophobicContact CG-CG 4.48Å; W559-L587 HydrophobicContact CH2-CD2 4.48Å; W559-L587 HydrophobicContact CZ2-CD2 4.17Å; W559-F588 VanDerWaalsContact CD1-O 3.24Å; W559-F588 HydrophobicContact CZ2-CD1 4.23Å; W559-F588 AromaticContact CZ2-CE1 3.54Å; W559-F588 HydrophobicContact CZ2-CE1 3.54Å; W559-F588 HydrophobicContact CZ2-CE2 4.47Å; W559-F588 AromaticContact CZ2-CZ 3.66Å; W559-F588 HydrophobicContact CZ2-CZ 3.66Å; W559-F588 PolarHBondContact NE1-O 2.95Å; W559-P590 HydrophobicContact CG-CG 4.23Å; W559-M601 HydrophobicContact CB-SD 4.22Å; W559-W605 HydrophobicContact CB-CH2 4.24Å; W559-W605 HydrophobicContact CB-CZ2 4.26Å |
| 560 | E | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.009 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 173.5 | -68.1 | -179.1 | 98 | 0 | 0 | 111.2 | A495 W534 V556 L557 T563 E564 G565 P568 | A495-E560 HydrophobicContact CB-CB 4.1Å; A495-E560 PolarHBondContact N-OE2 3.45Å; W534-E560 WeakPolarHBondContact CZ2-OE1 3.3Å; W534-E560 VanDerWaalsContact NE1-CD 3.33Å; W534-E560 PolarHBondContact NE1-OE2 2.65Å; V556-E560 WeakPolarHBondContact O-CG 3.28Å; V556-E560 PolarHBondContact O-N 2.67Å; L557-E560 WeakPolarHBondContact O-CB 3.33Å; L557-E560 PolarHBondContact O-N 2.81Å; E560-T563 PolarHBondContact O-N 2.66Å; E560-T563 PolarHBondContact O-OG1 2.73Å; E560-E564 PolarHBondContact O-N 3.21Å; E560-E564 VanDerWaalsContact O-N 3.16Å; E560-G565 WeakPolarHBondContact O-CA 3.17Å; E560-G565 PolarHBondContact O-N 2.74Å; E560-P568 HydrophobicContact CG-CG 4.02Å |
| 561 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.2 | -49.1 | 179.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | L453 L457 L469 M472 L557 M558 W559 T563 E564 | L453-V561 HydrophobicContact CD2-CG2 3.92Å; L457-V561 HydrophobicContact CD1-CB 4.48Å; L457-V561 HydrophobicContact CD1-CG2 4.24Å; L469-V561 HydrophobicContact CB-CG1 3.91Å; L469-V561 HydrophobicContact CD2-CG1 3.84Å; L469-V561 HydrophobicContact CG-CG1 4.41Å; L469-V561 WeakPolarHBondContact O-CG1 3.4Å; M472-V561 HydrophobicContact CB-CG1 4.43Å; L557-V561 HydrophobicContact CD2-CG2 3.96Å; L557-V561 WeakPolarHBondContact O-CG2 3.14Å; L557-V561 PolarHBondContact O-N 2.84Å; M558-V561 PolarHBondContact O-N 3.13Å; W559-V561 VanDerWaalsContact C-N 3.33Å; W559-V561 PolarHBondContact O-N 2.75Å; V561-T563 VanDerWaalsContact C-N 3.27Å; V561-T563 PolarHBondContact O-N 2.99Å; V561-E564 PolarHBondContact O-N 2.81Å |
| 562 | F | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -76.3 | -9.6 | -177.6 | -83.6 | -94.4 | 0 | 0 | 0 | 115 | P466 L469 L470 M558 W559 P590 M592 A593 L597 M601 | P466-F562 HydrophobicContact CB-CE1 4.39Å; L469-F562 HydrophobicContact CB-CD1 4.49Å; L469-F562 HydrophobicContact CB-CD2 4.43Å; L469-F562 HydrophobicContact CB-CE1 4.1Å; L469-F562 HydrophobicContact CB-CE2 4Å; L469-F562 HydrophobicContact CB-CZ 3.82Å; L469-F562 HydrophobicContact CD1-CD1 4.34Å; L470-F562 HydrophobicContact CB-CZ 4.09Å; M558-F562 WeakPolarHBondContact O-CD2 3.46Å; M558-F562 PolarHBondContact O-N 3.35Å; W559-F562 PolarHBondContact O-N 2.99Å; F562-P590 HydrophobicContact CB-CB 3.81Å; F562-P590 HydrophobicContact CB-CG 3.86Å; F562-P590 WeakPolarHBondContact O-CB 3.49Å; F562-M592 HydrophobicContact CD1-CB 4.25Å; F562-A593 HydrophobicContact CB-CB 4.28Å; F562-A593 HydrophobicContact CD1-CB 3.82Å; F562-A593 HydrophobicContact CG-CB 4.17Å; F562-L597 HydrophobicContact CD1-CD2 3.91Å; F562-L597 HydrophobicContact CD2-CD2 3.9Å; F562-L597 HydrophobicContact CE1-CD2 3.39Å; F562-L597 HydrophobicContact CE2-CD2 3.41Å; F562-L597 VanDerWaalsContact CE2-CD2 3.41Å; F562-L597 HydrophobicContact CG-CD2 4.14Å; F562-L597 HydrophobicContact CZ-CD2 3.13Å; F562-M601 HydrophobicContact CB-CE 4.31Å; F562-M601 HydrophobicContact CD2-CE 4.13Å; F562-M601 HydrophobicContact CG-CE 4.26Å |
| 563 | T | 97.5 | Very high | 97.2 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 7.9 | 167.7 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | W559 E560 V561 G565 Q566 P590 | W559-T563 HydrophobicContact CD2-CG2 3.93Å; W559-T563 HydrophobicContact CE3-CG2 4.27Å; W559-T563 HydrophobicContact CH2-CG2 4.07Å; W559-T563 HydrophobicContact CZ2-CG2 3.71Å; W559-T563 HydrophobicContact CZ3-CG2 4.32Å; W559-T563 WeakPolarHBondContact O-CB 3.47Å; W559-T563 WeakPolarHBondContact O-CG2 3.25Å; W559-T563 PolarHBondContact O-N 2.96Å; W559-T563 PolarHBondContact O-OG1 2.95Å; E560-T563 PolarHBondContact O-N 2.66Å; E560-T563 PolarHBondContact O-OG1 2.73Å; V561-T563 VanDerWaalsContact C-N 3.27Å; V561-T563 PolarHBondContact O-N 2.99Å; T563-G565 VanDerWaalsContact C-N 3.31Å; T563-G565 PolarHBondContact O-N 2.83Å; T563-Q566 WeakPolarHBondContact OG1-CB 3.24Å; T563-Q566 PolarHBondContact OG1-N 3.3Å; T563-P590 HydrophobicContact CG2-CB 3.83Å; T563-P590 HydrophobicContact CG2-CG 3.81Å |
| 564 | E | 97.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 10% | 0.098 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 42.3 | 178.8 | -53.5 | 177.2 | 105.5 | 0 | 0 | 112.6 | R461 G462 F464 E560 V561 M592 | R461-E564 HydrophobicContact CG-CB 3.91Å; R461-E564 HydrophobicContact CG-CG 4.48Å; R461-E564 WeakPolarHBondContact CG-OE2 3.37Å; R461-E564 IonicContact NE-OE2 3.59Å; G462-E564 PolarHBondContact N-OE1 2.96Å; G462-E564 PolarHBondContact N-OE2 2.96Å; F464-E564 HydrophobicContact CD2-CG 4.31Å; F464-E564 WeakPolarHBondContact CD2-OE1 3.49Å; E560-E564 PolarHBondContact O-N 3.21Å; E560-E564 VanDerWaalsContact O-N 3.16Å; V561-E564 PolarHBondContact O-N 2.81Å; E564-M592 HydrophobicContact CG-SD 4.45Å |
| 565 | G | 96.7 | Very high | 96.6 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 88.5 | 22.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R458 E560 T563 | R458-G565 VanDerWaalsContact CZ-O 3.24Å; R458-G565 PolarHBondContact NE-O 3.28Å; R458-G565 PolarHBondContact NH2-O 3.06Å; E560-G565 WeakPolarHBondContact O-CA 3.17Å; E560-G565 PolarHBondContact O-N 2.74Å; T563-G565 VanDerWaalsContact C-N 3.31Å; T563-G565 PolarHBondContact O-N 2.83Å |
| 566 | Q | 96.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 24% | 0.243 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 149.2 | 171.9 | -168.9 | 174.2 | -2.7 | 0 | 0 | 110.5 | W559 T563 D570 | W559-Q566 HydrophobicContact CH2-CB 3.88Å; W559-Q566 HydrophobicContact CH2-CG 3.87Å; W559-Q566 HydrophobicContact CZ3-CB 4Å; W559-Q566 HydrophobicContact CZ3-CG 4.37Å; T563-Q566 WeakPolarHBondContact OG1-CB 3.24Å; T563-Q566 PolarHBondContact OG1-N 3.3Å; Q566-D570 PolarHBondContact NE2-OD2 3.45Å |
| 567 | M | 96.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 32% | 0.315 | 21% | 0.206 | S | C | . | . | P | Polyproline II helix | trans | -76.7 | 128.8 | 174.1 | -177.9 | 89.5 | -40.9 | 0 | 0 | 110.3 | W534 F569 D570 | W534-M567 HydrophobicContact CH2-CE 3.36Å; W534-M567 HydrophobicContact CH2-SD 3.83Å; W534-M567 HydrophobicContact CZ2-CE 3.69Å; M567-F569 PolarHBondContact O-N 3.1Å; M567-D570 HydrophobicContact CB-CB 4.03Å; M567-D570 WeakPolarHBondContact O-CB 3.46Å; M567-D570 PolarHBondContact O-N 3.45Å |
| 568 | P | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 135.3 | 174.3 | -23.6 | 34.6 | 0 | 0 | 0 | 110.8 | K533 W534 V556 W559 E560 D570 L587 | K533-P568 HydrophobicContact CB-CB 4.41Å; K533-P568 VanDerWaalsContact CD-O 3.27Å; K533-P568 WeakPolarHBondContact CD-O 3.12Å; K533-P568 PolarHBondContact NZ-O 3.26Å; K533-P568 VanDerWaalsContact NZ-O 3.11Å; W534-P568 HydrophobicContact CH2-CG 4.5Å; W534-P568 HydrophobicContact CZ2-CG 3.92Å; V556-P568 HydrophobicContact CG1-CB 3.97Å; V556-P568 HydrophobicContact CG1-CG 3.48Å; V556-P568 VanDerWaalsContact CG1-CG 3.48Å; W559-P568 HydrophobicContact CE3-CB 4.48Å; W559-P568 HydrophobicContact CE3-CG 4.16Å; W559-P568 HydrophobicContact CZ3-CB 4.28Å; W559-P568 HydrophobicContact CZ3-CG 4.09Å; E560-P568 HydrophobicContact CG-CG 4.02Å; P568-D570 PolarHBondContact O-N 2.97Å; P568-D570 VanDerWaalsContact O-N 3.17Å; P568-L587 HydrophobicContact CB-CD1 4.16Å; P568-L587 HydrophobicContact CB-CD2 4.13Å |
| 569 | F | 96.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 45.7 Ų | 45.7 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.3 | -178.7 | -46.9 | -78.9 | 0 | 0 | 0 | 112.4 | K533 M567 Q571 S572 V577 V581 H585 L587 | K533-F569 HydrophobicContact CB-CD2 4.45Å; K533-F569 HydrophobicContact CG-CD2 4.45Å; K533-F569 PolarHBondContact NZ-O 2.84Å; M567-F569 PolarHBondContact O-N 3.1Å; F569-Q571 PolarHBondContact O-N 3.08Å; F569-Q571 VanDerWaalsContact O-N 3.09Å; F569-S572 PolarHBondContact O-N 3.49Å; F569-V577 HydrophobicContact CB-CG2 3.56Å; F569-V577 HydrophobicContact CD2-CG1 3.71Å; F569-V577 HydrophobicContact CD2-CG2 4.17Å; F569-V577 HydrophobicContact CE2-CG1 3.95Å; F569-V577 HydrophobicContact CG-CG1 4.11Å; F569-V577 HydrophobicContact CG-CG2 3.88Å; F569-V581 HydrophobicContact CE2-CG2 4.48Å; F569-V581 HydrophobicContact CZ-CG2 4.06Å; F569-H585 AromaticContact CE1-CD2 3.85Å; F569-L587 HydrophobicContact CD1-CD2 3.86Å; F569-L587 HydrophobicContact CD2-CD2 3.97Å; F569-L587 HydrophobicContact CE1-CD2 3.64Å; F569-L587 HydrophobicContact CE1-CG 4.01Å; F569-L587 HydrophobicContact CE2-CD1 4.34Å; F569-L587 HydrophobicContact CE2-CD2 3.77Å; F569-L587 HydrophobicContact CE2-CG 3.94Å; F569-L587 HydrophobicContact CG-CD2 4.02Å; F569-L587 HydrophobicContact CZ-CD1 4.42Å; F569-L587 HydrophobicContact CZ-CD2 3.62Å; F569-L587 HydrophobicContact CZ-CG 3.61Å |
| 570 | D | 93.6 | Very high | 95.8 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -29.4 | -174.6 | 56.1 | -0 | 0 | 0 | 0 | 114.2 | Q566 M567 P568 | Q566-D570 PolarHBondContact NE2-OD2 3.45Å; M567-D570 HydrophobicContact CB-CB 4.03Å; M567-D570 WeakPolarHBondContact O-CB 3.46Å; M567-D570 PolarHBondContact O-N 3.45Å; P568-D570 PolarHBondContact O-N 2.97Å; P568-D570 VanDerWaalsContact O-N 3.17Å |
| 571 | Q | 93.9 | Very high | 95.7 | Very high | 181 Ų | 181 | 48.5 Ų | 48.5 | 85% | 0.846 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -1.9 | 177.8 | -65.8 | 174.8 | 17 | 0 | 0 | 115 | F569 | F569-Q571 PolarHBondContact O-N 3.08Å; F569-Q571 VanDerWaalsContact O-N 3.09Å |
| 572 | S | 95.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -123.2 | 141.2 | -174.3 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | K533 F569 E576 | K533-S572 WeakPolarHBondContact CE-O 3.4Å; K533-S572 PolarHBondContact NZ-O 3.15Å; F569-S572 PolarHBondContact O-N 3.49Å; S572-E576 WeakPolarHBondContact CA-OE2 3.4Å |
| 573 | L | 94.5 | Very high | 95.4 | Very high | 109 Ų | 109 | 58.5 Ų | 58.5 | 57% | 0.571 | 31% | 0.308 | S | S | * | . | trans | -74.8 | 156.4 | 172.7 | -61.8 | 175.9 | 0 | 0 | 0 | 110.6 | H575 E576 V577 | L573-H575 VanDerWaalsContact C-N 3.27Å; L573-H575 PolarHBondContact O-N 3Å; L573-H575 VanDerWaalsContact O-N 3.14Å; L573-E576 HydrophobicContact CB-CG 4.28Å; L573-E576 PolarHBondContact N-OE2 3.25Å; L573-E576 WeakPolarHBondContact O-CB 3.1Å; L573-E576 PolarHBondContact O-N 2.8Å; L573-V577 WeakPolarHBondContact O-CG2 3.22Å; L573-V577 PolarHBondContact O-N 3.06Å | ||
| 574 | N | 92.6 | Very high | 95.2 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.3 | -39.2 | -175.4 | -77 | -8 | 0 | 0 | 0 | 114.1 | V532 V577 V578 | V532-N574 HydrophobicContact CB-CB 4.07Å; V532-N574 HydrophobicContact CG1-CB 3.97Å; V532-N574 HydrophobicContact CG2-CB 4.1Å; N574-V577 PolarHBondContact O-N 3.24Å; N574-V578 WeakPolarHBondContact O-CG2 3.36Å; N574-V578 PolarHBondContact O-N 2.84Å; N574-V578 VanDerWaalsContact O-N 3.1Å |
| 575 | H | 92.2 | Very high | 95.2 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71 | -32.3 | 179.6 | 71.4 | -86.4 | 0 | 0 | 0 | 112.6 | L573 A579 | L573-H575 VanDerWaalsContact C-N 3.27Å; L573-H575 PolarHBondContact O-N 3Å; L573-H575 VanDerWaalsContact O-N 3.14Å; H575-A579 PolarHBondContact O-N 3.4Å |
| 576 | E | 95.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 65 Ų | 65 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 174.4 | -59.2 | 171.8 | 153.2 | 0 | 0 | 110 | S572 L573 V578 A579 M580 | S572-E576 WeakPolarHBondContact CA-OE2 3.4Å; L573-E576 HydrophobicContact CB-CG 4.28Å; L573-E576 PolarHBondContact N-OE2 3.25Å; L573-E576 WeakPolarHBondContact O-CB 3.1Å; L573-E576 PolarHBondContact O-N 2.8Å; E576-V578 VanDerWaalsContact C-N 3.3Å; E576-V578 PolarHBondContact O-N 2.96Å; E576-A579 WeakPolarHBondContact O-CB 3.37Å; E576-A579 PolarHBondContact O-N 2.67Å; E576-A579 VanDerWaalsContact O-N 3.09Å; E576-M580 WeakPolarHBondContact O-CB 3.46Å; E576-M580 VanDerWaalsContact O-CG 3.26Å; E576-M580 WeakPolarHBondContact O-CG 3.45Å; E576-M580 PolarHBondContact O-N 2.95Å |
| 577 | V | 95.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 175.6 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | K533 F569 L573 N574 A579 M580 V581 | K533-V577 HydrophobicContact CG-CG1 4.42Å; K533-V577 HydrophobicContact CG-CG2 4.31Å; F569-V577 HydrophobicContact CB-CG2 3.56Å; F569-V577 HydrophobicContact CD2-CG1 3.71Å; F569-V577 HydrophobicContact CD2-CG2 4.17Å; F569-V577 HydrophobicContact CE2-CG1 3.95Å; F569-V577 HydrophobicContact CG-CG1 4.11Å; F569-V577 HydrophobicContact CG-CG2 3.88Å; L573-V577 WeakPolarHBondContact O-CG2 3.22Å; L573-V577 PolarHBondContact O-N 3.06Å; N574-V577 PolarHBondContact O-N 3.24Å; V577-A579 VanDerWaalsContact C-N 3.33Å; V577-A579 PolarHBondContact O-N 3.24Å; V577-M580 PolarHBondContact O-N 2.67Å; V577-V581 HydrophobicContact CG1-CG2 4.06Å; V577-V581 WeakPolarHBondContact O-CB 3.42Å; V577-V581 VanDerWaalsContact O-CG2 3.3Å; V577-V581 WeakPolarHBondContact O-CG2 3.1Å; V577-V581 PolarHBondContact O-N 3.38Å |
| 578 | V | 94.3 | Very high | 95.3 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.4 | -47.7 | 174.4 | 167.8 | 0 | 0 | 0 | 0 | 111 | V532 F540 N574 E576 T582 | V532-V578 HydrophobicContact CG1-CG2 3.75Å; F540-V578 HydrophobicContact CB-CG2 4.48Å; F540-V578 HydrophobicContact CD1-CG2 4.43Å; F540-V578 HydrophobicContact CD2-CG1 3.82Å; F540-V578 HydrophobicContact CD2-CG2 4.2Å; F540-V578 HydrophobicContact CE2-CB 4.45Å; F540-V578 HydrophobicContact CE2-CG1 3.71Å; F540-V578 HydrophobicContact CE2-CG2 4.48Å; F540-V578 HydrophobicContact CG-CG2 4.16Å; F540-V578 HydrophobicContact CZ-CG1 4.36Å; N574-V578 WeakPolarHBondContact O-CG2 3.36Å; N574-V578 PolarHBondContact O-N 2.84Å; N574-V578 VanDerWaalsContact O-N 3.1Å; E576-V578 VanDerWaalsContact C-N 3.3Å; E576-V578 PolarHBondContact O-N 2.96Å; V578-T582 VanDerWaalsContact O-CB 3.27Å; V578-T582 WeakPolarHBondContact O-CB 3.4Å; V578-T582 PolarHBondContact O-N 3.08Å; V578-T582 VanDerWaalsContact O-N 3.07Å; V578-T582 PolarHBondContact O-OG1 3.29Å |
| 579 | A | 94.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | H575 E576 V577 T582 N583 | H575-A579 PolarHBondContact O-N 3.4Å; E576-A579 WeakPolarHBondContact O-CB 3.37Å; E576-A579 PolarHBondContact O-N 2.67Å; E576-A579 VanDerWaalsContact O-N 3.09Å; V577-A579 VanDerWaalsContact C-N 3.33Å; V577-A579 PolarHBondContact O-N 3.24Å; A579-T582 PolarHBondContact O-N 2.87Å; A579-N583 WeakPolarHBondContact O-CB 3.26Å; A579-N583 VanDerWaalsContact O-CG 3.28Å; A579-N583 PolarHBondContact O-N 3.21Å; A579-N583 PolarHBondContact O-ND2 2.88Å |
| 580 | M | 96.3 | Very high | 95.4 | Very high | 57 Ų | 57 | 69.6 Ų | 69.6 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 179.4 | -70.5 | 173.6 | 80.8 | 0 | 0 | 111.7 | E576 V577 T582 N583 G584 H585 | E576-M580 WeakPolarHBondContact O-CB 3.46Å; E576-M580 VanDerWaalsContact O-CG 3.26Å; E576-M580 WeakPolarHBondContact O-CG 3.45Å; E576-M580 PolarHBondContact O-N 2.95Å; V577-M580 PolarHBondContact O-N 2.67Å; M580-T582 VanDerWaalsContact C-N 3.33Å; M580-T582 PolarHBondContact O-N 2.91Å; M580-N583 CarbonylContact O-C 3.56Å; M580-N583 PolarHBondContact O-N 2.81Å; M580-N583 VanDerWaalsContact O-N 3.14Å; M580-G584 PolarHBondContact O-N 2.7Å; M580-H585 HydrophobicContact CB-CB 3.97Å; M580-H585 WeakPolarHBondContact CE-CD2 3.5Å; M580-H585 WeakPolarHBondContact CE-NE2 3.2Å; M580-H585 WeakPolarHBondContact O-CB 3.25Å; M580-H585 PolarHBondContact O-N 2.99Å |
| 581 | V | 96.4 | Very high | 95.4 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | -178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | P537 F540 W552 F569 V577 N583 G584 R586 | P537-V581 HydrophobicContact CG-CG1 4.07Å; F540-V581 HydrophobicContact CE1-CG1 4.26Å; F540-V581 HydrophobicContact CZ-CB 4.39Å; F540-V581 HydrophobicContact CZ-CG1 4.18Å; W552-V581 HydrophobicContact CH2-CG1 3.65Å; W552-V581 HydrophobicContact CZ2-CG1 3.54Å; F569-V581 HydrophobicContact CE2-CG2 4.48Å; F569-V581 HydrophobicContact CZ-CG2 4.06Å; V577-V581 HydrophobicContact CG1-CG2 4.06Å; V577-V581 WeakPolarHBondContact O-CB 3.42Å; V577-V581 VanDerWaalsContact O-CG2 3.3Å; V577-V581 WeakPolarHBondContact O-CG2 3.1Å; V577-V581 PolarHBondContact O-N 3.38Å; V581-N583 VanDerWaalsContact C-N 3.26Å; V581-N583 PolarHBondContact O-N 2.8Å; V581-G584 PolarHBondContact O-N 3.16Å; V581-R586 PolarHBondContact O-NH1 3.2Å; V581-R586 VanDerWaalsContact O-NH1 3.11Å |
| 582 | T | 93.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 69.1 Ų | 69.1 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | V578 A579 M580 G584 | V578-T582 VanDerWaalsContact O-CB 3.27Å; V578-T582 WeakPolarHBondContact O-CB 3.4Å; V578-T582 PolarHBondContact O-N 3.08Å; V578-T582 VanDerWaalsContact O-N 3.07Å; V578-T582 PolarHBondContact O-OG1 3.29Å; A579-T582 PolarHBondContact O-N 2.87Å; M580-T582 VanDerWaalsContact C-N 3.33Å; M580-T582 PolarHBondContact O-N 2.91Å; T582-G584 PolarHBondContact O-N 2.86Å |
| 583 | N | 95 | Very high | 95.2 | Very high | 140 Ų | 140 | 68 Ų | 68 | 75% | 0.749 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 11.2 | 175.5 | -68.5 | -28.4 | 0 | 0 | 0 | 113.8 | A579 M580 V581 | A579-N583 WeakPolarHBondContact O-CB 3.26Å; A579-N583 VanDerWaalsContact O-CG 3.28Å; A579-N583 PolarHBondContact O-N 3.21Å; A579-N583 PolarHBondContact O-ND2 2.88Å; M580-N583 CarbonylContact O-C 3.56Å; M580-N583 PolarHBondContact O-N 2.81Å; M580-N583 VanDerWaalsContact O-N 3.14Å; V581-N583 VanDerWaalsContact C-N 3.26Å; V581-N583 PolarHBondContact O-N 2.8Å |
| 584 | G | 94.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 64.5 Ų | 64.5 | 41% | 0.412 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.8 | 3.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | M580 V581 T582 | M580-G584 PolarHBondContact O-N 2.7Å; V581-G584 PolarHBondContact O-N 3.16Å; T582-G584 PolarHBondContact O-N 2.86Å |
| 585 | H | 96.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 64.6 Ų | 64.6 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | trans | -66.3 | 142.8 | 175 | -172.2 | 79 | 0 | 0 | 0 | 111 | F569 M580 | F569-H585 AromaticContact CE1-CD2 3.85Å; M580-H585 HydrophobicContact CB-CB 3.97Å; M580-H585 WeakPolarHBondContact CE-CD2 3.5Å; M580-H585 WeakPolarHBondContact CE-NE2 3.2Å; M580-H585 WeakPolarHBondContact O-CB 3.25Å; M580-H585 PolarHBondContact O-N 2.99Å | ||
| 586 | R | 97.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | trans | -134.4 | 158.4 | 179.9 | -62.8 | -61.6 | -179.3 | -94.1 | 3.5 | 110.5 | V581 W605 N607 | V581-R586 PolarHBondContact O-NH1 3.2Å; V581-R586 VanDerWaalsContact O-NH1 3.11Å; R586-W605 HydrophobicContact CB-CE3 4.19Å; R586-W605 HydrophobicContact CG-CE3 4.47Å; R586-W605 PolarHBondContact NE-O 3.2Å; R586-W605 PolarHBondContact NH2-O 2.93Å; R586-N607 VanDerWaalsContact NH2-CG 3.35Å; R586-N607 PolarHBondContact NH2-OD1 3.36Å | ||
| 587 | L | 98.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 141.2 | 175.6 | -68.8 | 165.4 | 0 | 0 | 0 | 110.1 | V556 W559 P568 F569 Y598 W605 | V556-L587 HydrophobicContact CG1-CD1 4.12Å; V556-L587 HydrophobicContact CG2-CD1 4.32Å; W559-L587 HydrophobicContact CB-CD1 4.11Å; W559-L587 HydrophobicContact CD2-CB 4.34Å; W559-L587 HydrophobicContact CD2-CD1 3.85Å; W559-L587 HydrophobicContact CD2-CD2 4.36Å; W559-L587 HydrophobicContact CD2-CG 4.41Å; W559-L587 HydrophobicContact CE3-CD1 4.18Å; W559-L587 HydrophobicContact CG-CB 4.11Å; W559-L587 HydrophobicContact CG-CD1 3.81Å; W559-L587 HydrophobicContact CG-CG 4.48Å; W559-L587 HydrophobicContact CH2-CD2 4.48Å; W559-L587 HydrophobicContact CZ2-CD2 4.17Å; P568-L587 HydrophobicContact CB-CD1 4.16Å; P568-L587 HydrophobicContact CB-CD2 4.13Å; F569-L587 HydrophobicContact CD1-CD2 3.86Å; F569-L587 HydrophobicContact CD2-CD2 3.97Å; F569-L587 HydrophobicContact CE1-CD2 3.64Å; F569-L587 HydrophobicContact CE1-CG 4.01Å; F569-L587 HydrophobicContact CE2-CD1 4.34Å; F569-L587 HydrophobicContact CE2-CD2 3.77Å; F569-L587 HydrophobicContact CE2-CG 3.94Å; F569-L587 HydrophobicContact CG-CD2 4.02Å; F569-L587 HydrophobicContact CZ-CD1 4.42Å; F569-L587 HydrophobicContact CZ-CD2 3.62Å; F569-L587 HydrophobicContact CZ-CG 3.61Å; L587-Y598 WeakPolarHBondContact O-CE2 3.38Å; L587-Y598 PolarHBondContact O-OH 2.84Å; L587-W605 HydrophobicContact CB-CH2 3.81Å; L587-W605 HydrophobicContact CB-CZ2 4.4Å; L587-W605 HydrophobicContact CB-CZ3 4.21Å; L587-W605 HydrophobicContact CD1-CH2 4.13Å; L587-W605 HydrophobicContact CD1-CZ2 3.9Å; L587-W605 HydrophobicContact CG-CH2 4.5Å |
| 588 | F | 97.6 | Very high | 95.3 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 159.2 | 179.8 | 68.1 | -93.5 | 0 | 0 | 0 | 112.1 | W559 P590 | W559-F588 VanDerWaalsContact CD1-O 3.24Å; W559-F588 HydrophobicContact CZ2-CD1 4.23Å; W559-F588 AromaticContact CZ2-CE1 3.54Å; W559-F588 HydrophobicContact CZ2-CE1 3.54Å; W559-F588 HydrophobicContact CZ2-CE2 4.47Å; W559-F588 AromaticContact CZ2-CZ 3.66Å; W559-F588 HydrophobicContact CZ2-CZ 3.66Å; W559-F588 PolarHBondContact NE1-O 2.95Å; F588-P590 VanDerWaalsContact O-CD 3.31Å; F588-P590 WeakPolarHBondContact O-CD 3.27Å |
| 589 | R | 97.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 61 Ų | 61 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 119.5 | 175.5 | -176.5 | 171.7 | 71.7 | 82.2 | 2.1 | 112 | A593 Y598 | R589-A593 HydrophobicContact CG-CB 4.44Å; R589-A593 PolarHBondContact NH1-O 2.96Å; R589-Y598 VanDerWaalsContact CA-CE2 3.41Å; R589-Y598 HydrophobicContact CB-CD1 3.75Å; R589-Y598 HydrophobicContact CB-CD2 3.68Å; R589-Y598 HydrophobicContact CB-CE1 3.9Å; R589-Y598 HydrophobicContact CB-CE2 3.85Å; R589-Y598 HydrophobicContact CB-CG 3.62Å; R589-Y598 HydrophobicContact CG-CD1 4.03Å; R589-Y598 HydrophobicContact CG-CD2 3.86Å; R589-Y598 HydrophobicContact CG-CG 3.56Å |
| 590 | P | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 144.9 | 173.2 | -22.6 | 33.9 | 0 | 0 | 0 | 111.8 | W559 F562 T563 F588 M592 A593 | W559-P590 HydrophobicContact CG-CG 4.23Å; F562-P590 HydrophobicContact CB-CB 3.81Å; F562-P590 HydrophobicContact CB-CG 3.86Å; F562-P590 WeakPolarHBondContact O-CB 3.49Å; T563-P590 HydrophobicContact CG2-CB 3.83Å; T563-P590 HydrophobicContact CG2-CG 3.81Å; F588-P590 VanDerWaalsContact O-CD 3.31Å; F588-P590 WeakPolarHBondContact O-CD 3.27Å; P590-M592 PolarHBondContact O-N 2.93Å; P590-A593 HydrophobicContact CB-CB 3.99Å; P590-A593 HydrophobicContact CG-CB 4.17Å; P590-A593 PolarHBondContact O-N 3.27Å |
| 591 | K | 93.5 | Very high | 95.8 | Very high | 203 Ų | 203 | 56.3 Ų | 56.3 | 88% | 0.883 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -38.3 | -177.9 | -174.4 | -178.7 | 176.4 | -173.6 | 0 | 112.6 | A593 | K591-A593 VanDerWaalsContact C-N 3.33Š|
| 592 | M | 91.8 | Very high | 95.9 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.9 | -179.7 | -66 | 178.4 | 70 | 0 | 0 | 113.7 | F464 P466 L469 F562 E564 P590 P594 | F464-M592 WeakPolarHBondContact O-CE 3.31Å; P466-M592 HydrophobicContact CG-CE 4.17Å; L469-M592 HydrophobicContact CD1-CE 3.52Å; L469-M592 HydrophobicContact CD1-SD 4.04Å; F562-M592 HydrophobicContact CD1-CB 4.25Å; E564-M592 HydrophobicContact CG-SD 4.45Å; P590-M592 PolarHBondContact O-N 2.93Å; M592-P594 WeakPolarHBondContact O-CD 3.31Å |
| 593 | A | 94.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -85.8 | 120.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F562 R589 P590 K591 L597 M601 | F562-A593 HydrophobicContact CB-CB 4.28Å; F562-A593 HydrophobicContact CD1-CB 3.82Å; F562-A593 HydrophobicContact CG-CB 4.17Å; R589-A593 HydrophobicContact CG-CB 4.44Å; R589-A593 PolarHBondContact NH1-O 2.96Å; P590-A593 HydrophobicContact CB-CB 3.99Å; P590-A593 HydrophobicContact CG-CB 4.17Å; P590-A593 PolarHBondContact O-N 3.27Å; K591-A593 VanDerWaalsContact C-N 3.33Å; A593-L597 HydrophobicContact CB-CD2 4.16Å; A593-M601 HydrophobicContact CB-CE 4.19Å |
| 594 | P | 91.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | trans | -57.4 | 154.6 | 170.7 | -23.2 | 33.8 | 0 | 0 | 0 | 111.6 | M592 A596 L597 Y598 I631 | M592-P594 WeakPolarHBondContact O-CD 3.31Å; P594-A596 VanDerWaalsContact C-N 3.32Å; P594-A596 PolarHBondContact O-N 2.84Å; P594-L597 HydrophobicContact CB-CB 4.47Å; P594-L597 WeakPolarHBondContact O-CB 3.39Å; P594-L597 PolarHBondContact O-N 3.48Å; P594-L597 VanDerWaalsContact O-N 3.11Å; P594-Y598 PolarHBondContact O-N 3.35Å; P594-Y598 VanDerWaalsContact O-N 3.08Å; P594-I631 HydrophobicContact CG-CD1 3.91Å; P594-I631 HydrophobicContact CG-CG1 4.01Å | ||
| 595 | P | 93.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 52 Ų | 52 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.5 | -47.6 | 176.9 | -27.5 | 35.8 | 0 | 0 | 0 | 113.1 | L597 Y598 D599 | P595-L597 VanDerWaalsContact C-N 3.27Å; P595-L597 PolarHBondContact O-N 3.49Å; P595-Y598 WeakPolarHBondContact O-CA 3.3Å; P595-Y598 WeakPolarHBondContact O-CB 3.33Å; P595-Y598 PolarHBondContact O-N 3.2Å; P595-D599 PolarHBondContact O-N 2.8Å |
| 596 | A | 93.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 42% | 0.421 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.8 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P594 D599 I600 V625 | P594-A596 VanDerWaalsContact C-N 3.32Å; P594-A596 PolarHBondContact O-N 2.84Å; A596-D599 PolarHBondContact O-N 2.81Å; A596-I600 WeakPolarHBondContact O-CG1 3.36Å; A596-I600 PolarHBondContact O-N 3.35Å; A596-I600 VanDerWaalsContact O-N 3.16Å; A596-V625 HydrophobicContact CB-CG2 4.23Å |
| 597 | L | 95.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 177 | -173.8 | 66.7 | 0 | 0 | 0 | 112.1 | L470 M558 F562 A593 P594 P595 D599 I600 M601 L622 V625 | L470-L597 HydrophobicContact CD1-CD1 3.81Å; M558-L597 HydrophobicContact CE-CD1 3.42Å; M558-L597 VanDerWaalsContact CE-CD1 3.42Å; M558-L597 HydrophobicContact CE-CG 4.06Å; F562-L597 HydrophobicContact CD1-CD2 3.91Å; F562-L597 HydrophobicContact CD2-CD2 3.9Å; F562-L597 HydrophobicContact CE1-CD2 3.39Å; F562-L597 HydrophobicContact CE2-CD2 3.41Å; F562-L597 VanDerWaalsContact CE2-CD2 3.41Å; F562-L597 HydrophobicContact CG-CD2 4.14Å; F562-L597 HydrophobicContact CZ-CD2 3.13Å; A593-L597 HydrophobicContact CB-CD2 4.16Å; P594-L597 HydrophobicContact CB-CB 4.47Å; P594-L597 WeakPolarHBondContact O-CB 3.39Å; P594-L597 PolarHBondContact O-N 3.48Å; P594-L597 VanDerWaalsContact O-N 3.11Å; P595-L597 VanDerWaalsContact C-N 3.27Å; P595-L597 PolarHBondContact O-N 3.49Å; L597-D599 VanDerWaalsContact C-N 3.34Å; L597-I600 WeakPolarHBondContact O-CB 3.3Å; L597-I600 PolarHBondContact O-N 2.85Å; L597-M601 HydrophobicContact CD2-CE 4.14Å; L597-M601 HydrophobicContact CG-CE 4.08Å; L597-M601 WeakPolarHBondContact O-CG 3.47Å; L597-M601 PolarHBondContact O-N 2.94Å; L597-M601 VanDerWaalsContact O-N 3.09Å; L597-L622 HydrophobicContact CD1-CD2 3.39Å; L597-V625 HydrophobicContact CB-CG1 4.46Å |
| 598 | Y | 97.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 14% | 0.137 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.9 | -33.2 | 176.5 | -175.5 | -112.8 | 0 | 0 | 0 | 112.4 | L587 R589 P594 P595 I600 M601 Q602 W605 | L587-Y598 WeakPolarHBondContact O-CE2 3.38Å; L587-Y598 PolarHBondContact O-OH 2.84Å; R589-Y598 VanDerWaalsContact CA-CE2 3.41Å; R589-Y598 HydrophobicContact CB-CD1 3.75Å; R589-Y598 HydrophobicContact CB-CD2 3.68Å; R589-Y598 HydrophobicContact CB-CE1 3.9Å; R589-Y598 HydrophobicContact CB-CE2 3.85Å; R589-Y598 HydrophobicContact CB-CG 3.62Å; R589-Y598 HydrophobicContact CG-CD1 4.03Å; R589-Y598 HydrophobicContact CG-CD2 3.86Å; R589-Y598 HydrophobicContact CG-CG 3.56Å; P594-Y598 PolarHBondContact O-N 3.35Å; P594-Y598 VanDerWaalsContact O-N 3.08Å; P595-Y598 WeakPolarHBondContact O-CA 3.3Å; P595-Y598 WeakPolarHBondContact O-CB 3.33Å; P595-Y598 PolarHBondContact O-N 3.2Å; Y598-I600 VanDerWaalsContact C-N 3.29Å; Y598-I600 PolarHBondContact O-N 3.06Å; Y598-M601 HydrophobicContact CD2-CB 4.42Å; Y598-M601 HydrophobicContact CD2-SD 4.13Å; Y598-M601 WeakPolarHBondContact O-CB 3.49Å; Y598-M601 PolarHBondContact O-N 3.28Å; Y598-M601 VanDerWaalsContact O-N 3.16Å; Y598-Q602 HydrophobicContact CD1-CG 4.29Å; Y598-Q602 HydrophobicContact CE1-CG 3.96Å; Y598-Q602 VanDerWaalsContact CE1-NE2 3.32Å; Y598-Q602 WeakPolarHBondContact O-CG 3.43Å; Y598-Q602 PolarHBondContact O-N 2.74Å; Y598-W605 HydrophobicContact CE2-CZ3 4.1Å |
| 599 | D | 97.8 | Very high | 96.2 | Very high | 87 Ų | 87 | 53.9 Ų | 53.9 | 47% | 0.465 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 172.1 | -64.2 | -26.6 | 0 | 0 | 0 | 110.8 | P595 A596 L597 M601 Q602 L603 | P595-D599 PolarHBondContact O-N 2.8Å; A596-D599 PolarHBondContact O-N 2.81Å; L597-D599 VanDerWaalsContact C-N 3.34Å; D599-M601 PolarHBondContact O-N 3.09Å; D599-Q602 WeakPolarHBondContact O-CB 3.27Å; D599-Q602 PolarHBondContact O-N 3.09Å; D599-Q602 PolarHBondContact OD1-NE2 2.74Å; D599-L603 WeakPolarHBondContact O-CG 3.22Å; D599-L603 PolarHBondContact O-N 3.17Å |
| 600 | I | 98.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 54.7 Ų | 54.7 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 171.3 | -62.9 | 166.8 | 0 | 0 | 0 | 111.2 | M558 A596 L597 Y598 Q602 L603 C604 L618 M621 L622 V625 | M558-I600 HydrophobicContact CE-CG2 4.34Å; A596-I600 WeakPolarHBondContact O-CG1 3.36Å; A596-I600 PolarHBondContact O-N 3.35Å; A596-I600 VanDerWaalsContact O-N 3.16Å; L597-I600 WeakPolarHBondContact O-CB 3.3Å; L597-I600 PolarHBondContact O-N 2.85Å; Y598-I600 VanDerWaalsContact C-N 3.29Å; Y598-I600 PolarHBondContact O-N 3.06Å; I600-Q602 VanDerWaalsContact C-N 3.26Å; I600-Q602 PolarHBondContact O-N 2.94Å; I600-L603 WeakPolarHBondContact O-CB 3.46Å; I600-L603 PolarHBondContact O-N 3.17Å; I600-L603 VanDerWaalsContact O-N 3.17Å; I600-C604 PolarHBondContact O-N 3.11Å; I600-C604 VanDerWaalsContact O-N 3.15Å; I600-C604 PolarHBondContact O-SG 2.77Å; I600-L618 HydrophobicContact CG2-CD2 3.55Å; I600-M621 HydrophobicContact CD1-CB 3.8Å; I600-M621 HydrophobicContact CG1-CB 4.24Å; I600-L622 HydrophobicContact CD1-CD2 4Å; I600-L622 HydrophobicContact CG2-CD2 4.27Å; I600-V625 HydrophobicContact CD1-CG2 3.84Å |
| 601 | M | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -39.1 | 175.5 | -61.9 | -178.3 | -164.4 | 0 | 0 | 111.8 | M558 W559 F562 A593 L597 Y598 D599 C604 W605 | M558-M601 HydrophobicContact CB-CE 3.87Å; M558-M601 HydrophobicContact CB-CG 4.13Å; M558-M601 HydrophobicContact CB-SD 4.32Å; M558-M601 HydrophobicContact CE-CE 4.26Å; M558-M601 HydrophobicContact CE-CG 3.94Å; M558-M601 HydrophobicContact SD-CG 4.23Å; W559-M601 HydrophobicContact CB-SD 4.22Å; F562-M601 HydrophobicContact CB-CE 4.31Å; F562-M601 HydrophobicContact CD2-CE 4.13Å; F562-M601 HydrophobicContact CG-CE 4.26Å; A593-M601 HydrophobicContact CB-CE 4.19Å; L597-M601 HydrophobicContact CD2-CE 4.14Å; L597-M601 HydrophobicContact CG-CE 4.08Å; L597-M601 WeakPolarHBondContact O-CG 3.47Å; L597-M601 PolarHBondContact O-N 2.94Å; L597-M601 VanDerWaalsContact O-N 3.09Å; Y598-M601 HydrophobicContact CD2-CB 4.42Å; Y598-M601 HydrophobicContact CD2-SD 4.13Å; Y598-M601 WeakPolarHBondContact O-CB 3.49Å; Y598-M601 PolarHBondContact O-N 3.28Å; Y598-M601 VanDerWaalsContact O-N 3.16Å; D599-M601 PolarHBondContact O-N 3.09Å; M601-C604 WeakPolarHBondContact O-CB 3.46Å; M601-C604 PolarHBondContact O-N 2.9Å; M601-W605 HydrophobicContact CB-CE3 4.44Å; M601-W605 HydrophobicContact CB-CH2 3.83Å; M601-W605 HydrophobicContact CB-CZ2 4.27Å; M601-W605 HydrophobicContact CB-CZ3 3.93Å; M601-W605 PolarHBondContact O-N 3.1Å; M601-W605 HydrophobicContact SD-CH2 4.33Å |
| 602 | Q | 98.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 39% | 0.393 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.1 | -38 | 176.9 | -71.8 | -175.8 | 85.1 | 0 | 0 | 112.5 | Y598 D599 I600 C604 W605 D606 | Y598-Q602 HydrophobicContact CD1-CG 4.29Å; Y598-Q602 HydrophobicContact CE1-CG 3.96Å; Y598-Q602 VanDerWaalsContact CE1-NE2 3.32Å; Y598-Q602 WeakPolarHBondContact O-CG 3.43Å; Y598-Q602 PolarHBondContact O-N 2.74Å; D599-Q602 WeakPolarHBondContact O-CB 3.27Å; D599-Q602 PolarHBondContact O-N 3.09Å; D599-Q602 PolarHBondContact OD1-NE2 2.74Å; I600-Q602 VanDerWaalsContact C-N 3.26Å; I600-Q602 PolarHBondContact O-N 2.94Å; Q602-C604 VanDerWaalsContact C-N 3.28Å; Q602-C604 PolarHBondContact O-N 3.25Å; Q602-W605 CarbonylContact O-C 3.47Å; Q602-W605 WeakPolarHBondContact O-CA 3.16Å; Q602-W605 PolarHBondContact O-N 2.83Å; Q602-D606 PolarHBondContact O-N 3.17Å |
| 603 | L | 98.3 | Very high | 96.7 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -38.1 | 172.8 | -67.1 | 175.2 | 0 | 0 | 0 | 111.8 | D599 I600 W605 D606 P613 M621 | D599-L603 WeakPolarHBondContact O-CG 3.22Å; D599-L603 PolarHBondContact O-N 3.17Å; I600-L603 WeakPolarHBondContact O-CB 3.46Å; I600-L603 PolarHBondContact O-N 3.17Å; I600-L603 VanDerWaalsContact O-N 3.17Å; L603-W605 PolarHBondContact O-N 3.21Å; L603-D606 PolarHBondContact O-N 2.98Å; L603-P613 HydrophobicContact CB-CG 4.38Å; L603-M621 HydrophobicContact CD1-SD 4.27Å |
| 604 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -26.2 | 173.2 | -64 | 0 | 0 | 0 | 0 | 112.8 | V551 W552 I600 M601 Q602 R612 | V551-C604 HydrophobicContact CG1-CB 4.12Å; V551-C604 WeakPolarHBondContact O-CB 3.3Å; W552-C604 WeakPolarHBondContact CA-O 3.49Å; I600-C604 PolarHBondContact O-N 3.11Å; I600-C604 VanDerWaalsContact O-N 3.15Å; I600-C604 PolarHBondContact O-SG 2.77Å; M601-C604 WeakPolarHBondContact O-CB 3.46Å; M601-C604 PolarHBondContact O-N 2.9Å; Q602-C604 VanDerWaalsContact C-N 3.28Å; Q602-C604 PolarHBondContact O-N 3.25Å; C604-R612 VanDerWaalsContact O-CD 3.31Å; C604-R612 WeakPolarHBondContact O-CD 3.18Å |
| 605 | W | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 24.4 | -176.6 | -54.1 | -39.2 | 0 | 0 | 0 | 114.4 | W552 G555 V556 W559 R586 L587 Y598 M601 Q602 L603 | W552-W605 HydrophobicContact CD2-CB 4.47Å; W552-W605 AromaticContact CD2-CD1 3.72Å; W552-W605 HydrophobicContact CD2-CG 4.46Å; W552-W605 AromaticContact CE2-CD1 3.8Å; W552-W605 HydrophobicContact CE3-CB 4.12Å; W552-W605 AromaticContact CG-CD1 3.96Å; W552-W605 HydrophobicContact CH2-CB 4.09Å; W552-W605 HydrophobicContact CZ2-CB 4.44Å; W552-W605 HydrophobicContact CZ3-CB 3.92Å; W552-W605 VanDerWaalsContact CZ3-O 3.24Å; W552-W605 WeakPolarHBondContact CZ3-O 3.14Å; W552-W605 PolarHBondContact O-NE1 3.07Å; G555-W605 VanDerWaalsContact C-CZ2 3.42Å; G555-W605 VanDerWaalsContact O-CZ2 3.24Å; G555-W605 WeakPolarHBondContact O-CZ2 3.44Å; V556-W605 HydrophobicContact CG2-CZ2 4.33Å; W559-W605 HydrophobicContact CB-CH2 4.24Å; W559-W605 HydrophobicContact CB-CZ2 4.26Å; R586-W605 HydrophobicContact CB-CE3 4.19Å; R586-W605 HydrophobicContact CG-CE3 4.47Å; R586-W605 PolarHBondContact NE-O 3.2Å; R586-W605 PolarHBondContact NH2-O 2.93Å; L587-W605 HydrophobicContact CB-CH2 3.81Å; L587-W605 HydrophobicContact CB-CZ2 4.4Å; L587-W605 HydrophobicContact CB-CZ3 4.21Å; L587-W605 HydrophobicContact CD1-CH2 4.13Å; L587-W605 HydrophobicContact CD1-CZ2 3.9Å; L587-W605 HydrophobicContact CG-CH2 4.5Å; Y598-W605 HydrophobicContact CE2-CZ3 4.1Å; M601-W605 HydrophobicContact CB-CE3 4.44Å; M601-W605 HydrophobicContact CB-CH2 3.83Å; M601-W605 HydrophobicContact CB-CZ2 4.27Å; M601-W605 HydrophobicContact CB-CZ3 3.93Å; M601-W605 PolarHBondContact O-N 3.1Å; M601-W605 HydrophobicContact SD-CH2 4.33Å; Q602-W605 CarbonylContact O-C 3.47Å; Q602-W605 WeakPolarHBondContact O-CA 3.16Å; Q602-W605 PolarHBondContact O-N 2.83Å; L603-W605 PolarHBondContact O-N 3.21Å |
| 606 | D | 97.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 45 Ų | 45 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | trans | -61.3 | 140.2 | 169.4 | -160 | -63 | 0 | 0 | 0 | 110.3 | Q602 L603 R608 E611 R612 | Q602-D606 PolarHBondContact O-N 3.17Å; L603-D606 PolarHBondContact O-N 2.98Å; D606-R608 PolarHBondContact O-N 2.96Å; D606-R608 WeakPolarHBondContact OD1-CB 3.4Å; D606-R608 PolarHBondContact OD1-N 3.28Å; D606-E611 HydrophobicContact CB-CB 4.18Å; D606-R612 HydrophobicContact CB-CG 4.07Å; D606-R612 PolarHBondContact O-NE 3.01Å; D606-R612 PolarHBondContact O-NH2 3.05Å | ||
| 607 | N | 94.6 | Very high | 97.4 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -65.3 | -29.5 | 177.4 | -72.6 | -46.5 | 0 | 0 | 0 | 112 | R586 P609 | R586-N607 VanDerWaalsContact NH2-CG 3.35Å; R586-N607 PolarHBondContact NH2-OD1 3.36Å; N607-P609 WeakPolarHBondContact O-CD 3.47Å |
| 608 | R | 95.9 | Very high | 97.5 | Very high | 123 Ų | 123 | 47.2 Ų | 47.2 | 46% | 0.464 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -90.6 | 112.9 | 177.8 | -69.1 | -174.4 | -67.4 | 150.6 | 3.4 | 109.4 | D606 E610 E611 | D606-R608 PolarHBondContact O-N 2.96Å; D606-R608 WeakPolarHBondContact OD1-CB 3.4Å; D606-R608 PolarHBondContact OD1-N 3.28Å; R608-E610 HydrophobicContact CB-CG 4.43Å; R608-E610 PolarHBondContact O-N 3.38Å; R608-E610 VanDerWaalsContact O-N 3.17Å; R608-E611 HydrophobicContact CB-CB 4.26Å; R608-E611 HydrophobicContact CB-CG 3.68Å; R608-E611 VanDerWaalsContact CZ-CD 3.4Å; R608-E611 IonicContact CZ-OE1 2.78Å; R608-E611 IonicContact NH1-OE1 2.59Å; R608-E611 PolarHBondContact NH1-OE1 3.14Å; R608-E611 VanDerWaalsContact NH2-CG 3.27Å; R608-E611 IonicContact NH2-OE1 3.82Å; R608-E611 PolarHBondContact NH2-OE1 3.03Å; R608-E611 VanDerWaalsContact NH2-OE1 3.16Å; R608-E611 IonicContact NH2-OE2 3.01Å; R608-E611 PolarHBondContact O-N 3.11Å; R608-E611 VanDerWaalsContact O-N 3.09Å |
| 609 | P | 96.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 48.8 Ų | 48.8 | 21% | 0.208 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -56.1 | -33.8 | -178 | -26.2 | 35.3 | 0 | 0 | 0 | 113.9 | E538 K548 N607 E611 R612 | E538-P609 HydrophobicContact CG-CG 4.16Å; K548-P609 HydrophobicContact CB-CB 3.9Å; K548-P609 WeakPolarHBondContact CB-O 3.38Å; K548-P609 WeakPolarHBondContact CD-O 3.46Å; K548-P609 HydrophobicContact CG-CB 4.5Å; K548-P609 VanDerWaalsContact CG-O 3.26Å; K548-P609 WeakPolarHBondContact CG-O 3.37Å; N607-P609 WeakPolarHBondContact O-CD 3.47Å; P609-E611 VanDerWaalsContact C-N 3.29Å; P609-E611 PolarHBondContact O-N 3.39Å; P609-R612 WeakPolarHBondContact O-CB 3.38Å; P609-R612 PolarHBondContact O-N 3.45Å |
| 610 | E | 95.8 | Very high | 96.8 | Very high | 130 Ų | 130 | 49.7 Ų | 49.7 | 61% | 0.607 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -68.3 | -22.5 | 179.9 | 62.2 | -84.1 | -166.7 | 0 | 0 | 114.5 | R608 | R608-E610 HydrophobicContact CB-CG 4.43Å; R608-E610 PolarHBondContact O-N 3.38Å; R608-E610 VanDerWaalsContact O-N 3.17Å |
| 611 | E | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -87.1 | -15.5 | 178 | -59.2 | -69.7 | 159.3 | 0 | 0 | 112.3 | D606 R608 P609 | D606-E611 HydrophobicContact CB-CB 4.18Å; R608-E611 HydrophobicContact CB-CB 4.26Å; R608-E611 HydrophobicContact CB-CG 3.68Å; R608-E611 VanDerWaalsContact CZ-CD 3.4Å; R608-E611 IonicContact CZ-OE1 2.78Å; R608-E611 IonicContact NH1-OE1 2.59Å; R608-E611 PolarHBondContact NH1-OE1 3.14Å; R608-E611 VanDerWaalsContact NH2-CG 3.27Å; R608-E611 IonicContact NH2-OE1 3.82Å; R608-E611 PolarHBondContact NH2-OE1 3.03Å; R608-E611 VanDerWaalsContact NH2-OE1 3.16Å; R608-E611 IonicContact NH2-OE2 3.01Å; R608-E611 PolarHBondContact O-N 3.11Å; R608-E611 VanDerWaalsContact O-N 3.09Å; P609-E611 VanDerWaalsContact C-N 3.29Å; P609-E611 PolarHBondContact O-N 3.39Å |
| 612 | R | 98.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -68.9 | 140.2 | 175.8 | -57.2 | 176 | -164.7 | 148.5 | 9.6 | 108.9 | E538 K548 V551 C604 D606 P609 | E538-R612 IonicContact OE1-CZ 2.7Å; E538-R612 IonicContact OE1-NH1 3.94Å; E538-R612 PolarHBondContact OE1-NH1 3.24Å; E538-R612 IonicContact OE1-NH2 3.46Å; E538-R612 PolarHBondContact OE1-NH2 3.36Å; E538-R612 IonicContact OE2-CZ 2.7Å; E538-R612 IonicContact OE2-NH1 2.67Å; E538-R612 IonicContact OE2-NH2 2.67Å; E538-R612 PolarHBondContact OE2-NH2 3.34Å; K548-R612 HydrophobicContact CD-CB 4.31Å; K548-R612 PolarHBondContact NZ-O 3.31Å; K548-R612 WeakPolarHBondContact O-CD 3.38Å; K548-R612 PolarHBondContact O-NH1 2.87Å; V551-R612 HydrophobicContact CG1-CB 3.92Å; C604-R612 VanDerWaalsContact O-CD 3.31Å; C604-R612 WeakPolarHBondContact O-CD 3.18Å; D606-R612 HydrophobicContact CB-CG 4.07Å; D606-R612 PolarHBondContact O-NE 3.01Å; D606-R612 PolarHBondContact O-NH2 3.05Å; P609-R612 WeakPolarHBondContact O-CB 3.38Å; P609-R612 PolarHBondContact O-N 3.45Å |
| 613 | P | 98.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 161.6 | 178.9 | 26.8 | -35.1 | 0 | 0 | 0 | 112.2 | K548 V551 L603 Q617 L618 | K548-P613 PolarHBondContact NZ-O 3.5Å; V551-P613 HydrophobicContact CG1-CG 4.47Å; V551-P613 WeakPolarHBondContact CG2-O 3.49Å; L603-P613 HydrophobicContact CB-CG 4.38Å; P613-Q617 HydrophobicContact CB-CB 4Å; P613-L618 HydrophobicContact CB-CD2 4.21Å; P613-L618 HydrophobicContact CB-CG 4.05Å; P613-L618 HydrophobicContact CG-CD1 4.21Å; P613-L618 HydrophobicContact CG-CD2 3.46Å; P613-L618 VanDerWaalsContact CG-CD2 3.46Å; P613-L618 HydrophobicContact CG-CG 3.67Å |
| 614 | S | 98.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -76 | 164.6 | 164 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | E484 S616 Q617 L618 | E484-S614 WeakPolarHBondContact OE2-CB 3.44Å; S614-S616 PolarHBondContact O-N 2.69Å; S614-S616 PolarHBondContact OG-OG 3.32Å; S614-Q617 PolarHBondContact O-N 3.46Å; S614-Q617 VanDerWaalsContact OG-CG 3.28Å; S614-Q617 WeakPolarHBondContact OG-CG 3.33Å; S614-Q617 PolarHBondContact OG-N 2.59Å; S614-Q617 PolarHBondContact OG-OE1 3.12Å; S614-L618 WeakPolarHBondContact O-CG 3.26Å; S614-L618 PolarHBondContact O-N 2.68Å |
| 615 | F | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -33.5 | 174.5 | -79.9 | -73 | 0 | 0 | 0 | 112.1 | C477 M480 E481 E484 L493 D550 V551 Y554 Q617 L618 Y619 | C477-F615 PolarHBondContact SG-O 3.23Å; M480-F615 HydrophobicContact CB-CD1 3.45Å; M480-F615 VanDerWaalsContact CB-CD1 3.45Å; M480-F615 HydrophobicContact CB-CD2 3.95Å; M480-F615 HydrophobicContact CB-CE1 3.36Å; M480-F615 HydrophobicContact CB-CE2 3.86Å; M480-F615 HydrophobicContact CB-CG 3.75Å; M480-F615 HydrophobicContact CB-CZ 3.58Å; M480-F615 HydrophobicContact CE-CE2 3.76Å; M480-F615 HydrophobicContact CE-CZ 3.71Å; M480-F615 HydrophobicContact CG-CD1 4.42Å; M480-F615 HydrophobicContact CG-CE1 3.87Å; M480-F615 HydrophobicContact CG-CZ 3.95Å; E481-F615 HydrophobicContact CB-CB 3.89Å; E484-F615 HydrophobicContact CB-CD2 4.16Å; E484-F615 PolarHBondContact OE2-N 3.37Å; L493-F615 HydrophobicContact CD2-CZ 4.43Å; D550-F615 HydrophobicContact CB-CE2 4.04Å; D550-F615 HydrophobicContact CB-CZ 4.08Å; V551-F615 HydrophobicContact CG2-CD2 4.05Å; V551-F615 HydrophobicContact CG2-CE1 4.5Å; V551-F615 HydrophobicContact CG2-CE2 3.72Å; V551-F615 HydrophobicContact CG2-CZ 3.97Å; Y554-F615 HydrophobicContact CD1-CE1 4.16Å; Y554-F615 HydrophobicContact CD2-CE1 4.04Å; Y554-F615 AromaticContact CG-CE1 3.7Å; Y554-F615 HydrophobicContact CG-CE1 3.7Å; F615-Q617 PolarHBondContact O-N 2.82Å; F615-L618 HydrophobicContact CD1-CD1 4.16Å; F615-L618 HydrophobicContact CE1-CD1 4.45Å; F615-L618 PolarHBondContact O-N 3.21Å; F615-Y619 PolarHBondContact O-N 3.24Å |
| 616 | S | 95.3 | Very high | 93.1 | Very high | 46 Ų | 46 | 53.4 Ų | 53.4 | 32% | 0.322 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 172.8 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | E481 S614 L620 | E481-S616 VanDerWaalsContact OE1-CA 3.28Å; E481-S616 WeakPolarHBondContact OE1-CA 3.42Å; E481-S616 WeakPolarHBondContact OE1-CB 3.3Å; S614-S616 PolarHBondContact O-N 2.69Å; S614-S616 PolarHBondContact OG-OG 3.32Å; S616-L620 WeakPolarHBondContact O-CG 3.49Å; S616-L620 PolarHBondContact O-N 3Å |
| 617 | Q | 96.8 | Very high | 91.6 | Very high | 98 Ų | 98 | 54 Ų | 54 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.6 | -41.9 | 174.7 | -74 | 170.4 | -31.8 | 0 | 0 | 111.3 | P613 S614 F615 Y619 L620 M621 | P613-Q617 HydrophobicContact CB-CB 4Å; S614-Q617 PolarHBondContact O-N 3.46Å; S614-Q617 VanDerWaalsContact OG-CG 3.28Å; S614-Q617 WeakPolarHBondContact OG-CG 3.33Å; S614-Q617 PolarHBondContact OG-N 2.59Å; S614-Q617 PolarHBondContact OG-OE1 3.12Å; F615-Q617 PolarHBondContact O-N 2.82Å; Q617-Y619 VanDerWaalsContact C-N 3.32Å; Q617-Y619 PolarHBondContact O-N 2.94Å; Q617-L620 PolarHBondContact O-N 2.98Å; Q617-M621 VanDerWaalsContact O-CG 3.3Å; Q617-M621 WeakPolarHBondContact O-CG 3.49Å; Q617-M621 PolarHBondContact O-N 3.33Å |
| 618 | L | 97.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 176 | -73.9 | 170.9 | 0 | 0 | 0 | 111.8 | V551 Y554 I600 P613 S614 F615 L620 M621 L622 | V551-L618 HydrophobicContact CG1-CD1 4.06Å; Y554-L618 HydrophobicContact CD1-CD1 3.78Å; Y554-L618 HydrophobicContact CE1-CD1 4.07Å; I600-L618 HydrophobicContact CG2-CD2 3.55Å; P613-L618 HydrophobicContact CB-CD2 4.21Å; P613-L618 HydrophobicContact CB-CG 4.05Å; P613-L618 HydrophobicContact CG-CD1 4.21Å; P613-L618 HydrophobicContact CG-CD2 3.46Å; P613-L618 VanDerWaalsContact CG-CD2 3.46Å; P613-L618 HydrophobicContact CG-CG 3.67Å; S614-L618 WeakPolarHBondContact O-CG 3.26Å; S614-L618 PolarHBondContact O-N 2.68Å; F615-L618 HydrophobicContact CD1-CD1 4.16Å; F615-L618 HydrophobicContact CE1-CD1 4.45Å; F615-L618 PolarHBondContact O-N 3.21Å; L618-L620 VanDerWaalsContact C-N 3.33Å; L618-L620 PolarHBondContact O-N 2.81Å; L618-M621 PolarHBondContact O-N 2.83Å; L618-L622 WeakPolarHBondContact O-CB 3.4Å; L618-L622 WeakPolarHBondContact O-CG 3.4Å; L618-L622 PolarHBondContact O-N 3.33Å |
| 619 | Y | 92.8 | Very high | 88 | Confident | 68 Ų | 68 | 56.5 Ų | 56.5 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.4 | -46.5 | 178.2 | -176.2 | -101 | 0 | 0 | 0 | 111.9 | L474 C477 E478 F615 Q617 L622 S623 | L474-Y619 HydrophobicContact CD2-CD2 3.82Å; L474-Y619 HydrophobicContact CD2-CE2 3.83Å; C477-Y619 HydrophobicContact CB-CD2 4.48Å; E478-Y619 HydrophobicContact CG-CD2 3.71Å; E478-Y619 HydrophobicContact CG-CE2 3.23Å; E478-Y619 VanDerWaalsContact OE1-CE2 3.23Å; E478-Y619 WeakPolarHBondContact OE1-CE2 3.35Å; E478-Y619 PolarHBondContact OE1-OH 3.14Å; F615-Y619 PolarHBondContact O-N 3.24Å; Q617-Y619 VanDerWaalsContact C-N 3.32Å; Q617-Y619 PolarHBondContact O-N 2.94Å; Y619-L622 PolarHBondContact O-N 2.97Å; Y619-S623 WeakPolarHBondContact O-CB 3.27Å; Y619-S623 PolarHBondContact O-N 3.09Å; Y619-S623 PolarHBondContact O-OG 3.1Å |
| 620 | L | 88.9 | Confident | 85.6 | Confident | 106 Ų | 106 | 57.2 Ų | 57.2 | 56% | 0.555 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62 | -49.5 | 176.7 | -65.2 | 173 | 0 | 0 | 0 | 111.5 | S616 Q617 L618 L622 S623 D624 | S616-L620 WeakPolarHBondContact O-CG 3.49Å; S616-L620 PolarHBondContact O-N 3Å; Q617-L620 PolarHBondContact O-N 2.98Å; L618-L620 VanDerWaalsContact C-N 3.33Å; L618-L620 PolarHBondContact O-N 2.81Å; L620-L622 VanDerWaalsContact C-N 3.31Å; L620-L622 PolarHBondContact O-N 3.46Å; L620-S623 PolarHBondContact O-N 3.26Å; L620-D624 VanDerWaalsContact O-CG 3.31Å; L620-D624 PolarHBondContact O-N 3.44Å |
| 621 | M | 93 | Very high | 83.4 | Confident | 67 Ų | 67 | 52 Ų | 52 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 179.4 | -67.4 | 173.1 | -176.7 | 0 | 0 | 112.6 | I600 L603 Q617 L618 V625 | I600-M621 HydrophobicContact CD1-CB 3.8Å; I600-M621 HydrophobicContact CG1-CB 4.24Å; L603-M621 HydrophobicContact CD1-SD 4.27Å; Q617-M621 VanDerWaalsContact O-CG 3.3Å; Q617-M621 WeakPolarHBondContact O-CG 3.49Å; Q617-M621 PolarHBondContact O-N 3.33Å; L618-M621 PolarHBondContact O-N 2.83Å; M621-V625 WeakPolarHBondContact O-CG2 3.28Å; M621-V625 PolarHBondContact O-N 3.18Å |
| 622 | L | 90.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.4 | -35.2 | 179.1 | -67.6 | 170.9 | 0 | 0 | 0 | 112.3 | L470 L474 C477 Y554 M558 L597 I600 L618 Y619 L620 V625 L626 | L470-L622 HydrophobicContact CD1-CB 4.35Å; L470-L622 HydrophobicContact CD1-CD2 3.82Å; L474-L622 HydrophobicContact CD2-CB 3.57Å; L474-L622 HydrophobicContact CD2-CD1 4.44Å; L474-L622 HydrophobicContact CG-CB 4.24Å; C477-L622 HydrophobicContact CB-CD1 4.38Å; Y554-L622 HydrophobicContact CE1-CD1 4.1Å; Y554-L622 WeakPolarHBondContact OH-CD1 3.45Å; M558-L622 HydrophobicContact CE-CD2 3.53Å; L597-L622 HydrophobicContact CD1-CD2 3.39Å; I600-L622 HydrophobicContact CD1-CD2 4Å; I600-L622 HydrophobicContact CG2-CD2 4.27Å; L618-L622 WeakPolarHBondContact O-CB 3.4Å; L618-L622 WeakPolarHBondContact O-CG 3.4Å; L618-L622 PolarHBondContact O-N 3.33Å; Y619-L622 PolarHBondContact O-N 2.97Å; L620-L622 VanDerWaalsContact C-N 3.31Å; L620-L622 PolarHBondContact O-N 3.46Å; L622-V625 PolarHBondContact O-N 3.02Å; L622-L626 PolarHBondContact O-N 3.43Å; L622-L626 VanDerWaalsContact O-N 3.08Å |
| 623 | S | 84.8 | Confident | 77.5 | Confident | 20 Ų | 20 | 56.3 Ų | 56.3 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.8 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | Y619 L620 V625 L626 E627 | Y619-S623 WeakPolarHBondContact O-CB 3.27Å; Y619-S623 PolarHBondContact O-N 3.09Å; Y619-S623 PolarHBondContact O-OG 3.1Å; L620-S623 PolarHBondContact O-N 3.26Å; S623-V625 VanDerWaalsContact C-N 3.31Å; S623-V625 PolarHBondContact O-N 3.42Å; S623-L626 WeakPolarHBondContact O-CB 3.08Å; S623-L626 PolarHBondContact O-N 3.37Å; S623-L626 VanDerWaalsContact O-N 3.09Å; S623-E627 WeakPolarHBondContact O-CG 3.28Å; S623-E627 PolarHBondContact O-N 3.07Å; S623-E627 VanDerWaalsContact O-N 3.12Å |
| 624 | D | 83.4 | Confident | 74.4 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 57% | 0.572 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 175.8 | -67.2 | -16 | 0 | 0 | 0 | 111.6 | L620 L626 E627 D628 | L620-D624 VanDerWaalsContact O-CG 3.31Å; L620-D624 PolarHBondContact O-N 3.44Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 3.49Å; D624-E627 PolarHBondContact O-N 2.72Å; D624-D628 PolarHBondContact O-N 2.79Å |
| 625 | V | 84.4 | Confident | 73.2 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 12% | 0.121 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.4 | -32.5 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | L470 A596 L597 I600 M621 L622 S623 E627 I631 | L470-V625 HydrophobicContact CD2-CB 4.36Å; L470-V625 HydrophobicContact CD2-CG1 3.91Å; A596-V625 HydrophobicContact CB-CG2 4.23Å; L597-V625 HydrophobicContact CB-CG1 4.46Å; I600-V625 HydrophobicContact CD1-CG2 3.84Å; M621-V625 WeakPolarHBondContact O-CG2 3.28Å; M621-V625 PolarHBondContact O-N 3.18Å; L622-V625 PolarHBondContact O-N 3.02Å; S623-V625 VanDerWaalsContact C-N 3.31Å; S623-V625 PolarHBondContact O-N 3.42Å; V625-E627 VanDerWaalsContact C-N 3.33Å; V625-I631 HydrophobicContact CG1-CD1 3.68Å; V625-I631 VanDerWaalsContact O-CD1 3.28Å; V625-I631 WeakPolarHBondContact O-CD1 3.4Å |
| 626 | L | 76.1 | Confident | 71.9 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.4 | -31 | 176.6 | -174.1 | 67.6 | 0 | 0 | 0 | 112 | L470 L474 L622 S623 D624 | L470-L626 HydrophobicContact CB-CD1 4.43Å; L470-L626 HydrophobicContact CD2-CB 3.75Å; L470-L626 HydrophobicContact CD2-CD1 3.87Å; L470-L626 HydrophobicContact CD2-CG 4.42Å; L470-L626 HydrophobicContact CG-CB 4.49Å; L470-L626 HydrophobicContact CG-CD1 4.3Å; L474-L626 HydrophobicContact CD1-CD2 3.75Å; L622-L626 PolarHBondContact O-N 3.43Å; L622-L626 VanDerWaalsContact O-N 3.08Å; S623-L626 WeakPolarHBondContact O-CB 3.08Å; S623-L626 PolarHBondContact O-N 3.37Å; S623-L626 VanDerWaalsContact O-N 3.09Å; D624-L626 VanDerWaalsContact C-N 3.3Å; D624-L626 PolarHBondContact O-N 3.49Å |
| 627 | E | 66.4 | Low | 70.6 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -80.9 | -24.9 | -178.3 | -69.6 | -171.3 | 167.8 | 0 | 0 | 113.8 | S278 H279 S623 D624 V625 D629 | S278-E627 VanDerWaalsContact C-OE1 3.26Å; S278-E627 WeakPolarHBondContact CB-OE1 3.19Å; H279-E627 VanDerWaalsContact CE1-CD 3.43Å; H279-E627 IonicContact CE1-OE1 3.24Å; H279-E627 PolarHBondContact CE1-OE1 3.47Å; H279-E627 VanDerWaalsContact CE1-OE1 3.31Å; H279-E627 IonicContact CE1-OE2 3.98Å; H279-E627 PolarHBondContact CE1-OE2 3.11Å; H279-E627 IonicContact CG-OE1 3.87Å; H279-E627 IonicContact ND1-OE1 2.67Å; H279-E627 PolarHBondContact ND1-OE1 2.67Å; H279-E627 IonicContact ND1-OE2 3.33Å; H279-E627 PolarHBondContact ND1-OE2 3.48Å; S623-E627 WeakPolarHBondContact O-CG 3.28Å; S623-E627 PolarHBondContact O-N 3.07Å; S623-E627 VanDerWaalsContact O-N 3.12Å; D624-E627 PolarHBondContact O-N 2.72Å; V625-E627 VanDerWaalsContact C-N 3.33Å; E627-D629 PolarHBondContact O-N 2.95Å |
| 628 | D | 69.4 | Low | 69 | Low | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -67.8 | 116.1 | 175.9 | -152.7 | 9.9 | 0 | 0 | 0 | 109.5 | D624 G630 I631 | D624-D628 PolarHBondContact O-N 2.79Å; D628-G630 PolarHBondContact O-N 3.45Å; D628-I631 PolarHBondContact O-N 3.16Å |
| 629 | D | 47 | Very low | 67.2 | Low | 134 Ų | 134 | 73.1 Ų | 73.1 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -5.9 | -169.2 | -86.5 | -39.6 | 0 | 0 | 0 | 115.2 | E627 I631 | E627-D629 PolarHBondContact O-N 2.95Å; D629-I631 VanDerWaalsContact C-N 3.35Å; D629-I631 PolarHBondContact O-N 3.07Å |
| 630 | G | 45.5 | Very low | 65.5 | Low | 47 Ų | 47 | 73.4 Ų | 73.4 | 49% | 0.485 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -14.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | D628 | D628-G630 PolarHBondContact O-N 3.45Š|
| 631 | I | 48.4 | Very low | 63.9 | Low | 21 Ų | 21 | 71.1 Ų | 71.1 | 11% | 0.108 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -90.8 | -25.1 | 178.6 | -62.8 | -178.9 | 0 | 0 | 0 | 112.4 | P466 L470 P594 V625 D628 D629 S633 | P466-I631 HydrophobicContact CB-CG2 4.02Å; L470-I631 HydrophobicContact CD2-CD1 3.99Å; P594-I631 HydrophobicContact CG-CD1 3.91Å; P594-I631 HydrophobicContact CG-CG1 4.01Å; V625-I631 HydrophobicContact CG1-CD1 3.68Å; V625-I631 VanDerWaalsContact O-CD1 3.28Å; V625-I631 WeakPolarHBondContact O-CD1 3.4Å; D628-I631 PolarHBondContact O-N 3.16Å; D629-I631 VanDerWaalsContact C-N 3.35Å; D629-I631 PolarHBondContact O-N 3.07Å; I631-S633 VanDerWaalsContact C-N 3.31Å; I631-S633 PolarHBondContact O-N 3.29Å |
| 632 | S | 40.4 | Very low | 61.6 | Low | 93 Ų | 93 | 71.4 Ų | 71.4 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -9.4 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 633 | S | 32.4 | Very low | 59.2 | Low | 93 Ų | 93 | 77.3 Ų | 77.3 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 10.5 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 115.1 | I631 | I631-S633 VanDerWaalsContact C-N 3.31Å; I631-S633 PolarHBondContact O-N 3.29Å |
| 634 | C | 32.6 | Very low | 56.9 | Low | 158 Ų | 158 | 82.5 Ų | 82.5 | 100% | 1.068 | 51% | 0.507 | S | S | * | . | trans | -110 | 0 | -179.1 | -66.3 | 0 | 0 | 0 | 0 | 113 |
Retrieved 634 of 634 residues in 403.8 ms
(Link to these results)