| 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 | 39.5 | Very low | 42.5 | Very low | 239 Ų | 239 | 152.5 Ų | 152.5 | 100% | 1.177 | 84% | 0.838 | S | S | * | * | 0 | 92.4 | 0 | -64.1 | -151.8 | -68.4 | 0 | 0 | 108.1 | |||||
| 2 | G | 41.6 | Very low | 42.8 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | -114.9 | 96.3 | 174 | 0 | 0 | 0 | 0 | 0 | 107.3 | G4 | G2-G4 PolarHBondContact O-N 3.13Å; G2-G4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | C | 40.2 | Very low | 43.3 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | trans | -65.5 | 110.5 | -178.2 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | L5 | C3-L5 VanDerWaalsContact C-N 3.27Å; C3-L5 PolarHBondContact O-N 2.92Å | ||
| 4 | G | 48.4 | Very low | 43.4 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -68.8 | 85.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G2 R6 | G2-G4 PolarHBondContact O-N 3.13Å; G2-G4 VanDerWaalsContact O-N 3.13Å; G4-R6 PolarHBondContact O-N 3.26Å | ||
| 5 | L | 40.9 | Very low | 43.9 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 114.2 | 162.8 | -68.2 | 174.5 | 0 | 0 | 0 | 106.7 | C3 K7 | C3-L5 VanDerWaalsContact C-N 3.27Å; C3-L5 PolarHBondContact O-N 2.92Å; L5-K7 PolarHBondContact O-N 3.26Å | ||
| 6 | R | 43.5 | Very low | 44.6 | Very low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | -53.3 | 127.2 | 165.3 | -66.5 | -178.2 | 179.9 | 178.1 | -1.3 | 106.6 | G4 L8 | G4-R6 PolarHBondContact O-N 3.26Å; R6-L8 PolarHBondContact O-N 3.12Å; R6-L8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | K | 44.7 | Very low | 46.3 | Very low | 201 Ų | 201 | 125.6 Ų | 125.6 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | trans | -53 | 121.8 | 165.6 | -94.5 | 178.4 | 171 | 179.9 | 0 | 106.1 | L5 E9 | L5-K7 PolarHBondContact O-N 3.26Å; K7-E9 PolarHBondContact O-N 3.48Å | ||
| 8 | L | 41.8 | Very low | 48.6 | Very low | 171 Ų | 171 | 122.4 Ų | 122.4 | 90% | 0.895 | 69% | 0.686 | S | S | * | * | trans | -52.1 | 114.1 | 163 | -81.6 | 146.4 | 0 | 0 | 0 | 106 | R6 D10 | R6-L8 PolarHBondContact O-N 3.12Å; R6-L8 VanDerWaalsContact O-N 3.12Å; L8-D10 PolarHBondContact O-N 3.05Å | ||
| 9 | E | 43.9 | Very low | 50.7 | Low | 162 Ų | 162 | 120.3 Ų | 120.3 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | trans | -53.4 | 135.2 | 159.7 | -83.5 | 161.2 | 146.9 | 0 | 0 | 107.2 | K7 | K7-E9 PolarHBondContact O-N 3.48Š| ||
| 10 | D | 39.9 | Very low | 52.8 | Low | 115 Ų | 115 | 118 Ų | 118 | 62% | 0.615 | 65% | 0.653 | S | S | * | * | trans | -60.5 | 132.9 | 179.8 | -87.4 | -45.8 | 0 | 0 | 0 | 107.7 | L8 E12 D13 | L8-D10 PolarHBondContact O-N 3.05Å; D10-E12 PolarHBondContact O-N 2.97Å; D10-D13 VanDerWaalsContact O-CB 3.29Å; D10-D13 WeakPolarHBondContact O-CB 3.43Å; D10-D13 PolarHBondContact O-N 2.92Å | ||
| 11 | P | 43.3 | Very low | 54.6 | Low | 117 Ų | 117 | 114 Ų | 114 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -62.6 | -8 | -176.9 | 23 | -32.4 | 0 | 0 | 0 | 114.1 | D13 | P11-D13 VanDerWaalsContact C-N 3.27Š|
| 12 | E | 45.5 | Very low | 56.8 | Low | 124 Ų | 124 | 105.9 Ų | 105.9 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -74 | -13 | 168.6 | -66.3 | -152.1 | 130.1 | 0 | 0 | 113.8 | D10 K18 | D10-E12 PolarHBondContact O-N 2.97Å; E12-K18 WeakPolarHBondContact OE1-CE 3.29Å; E12-K18 IonicContact OE1-NZ 3.55Å; E12-K18 PolarHBondContact OE1-NZ 3.26Å; E12-K18 IonicContact OE2-NZ 3.17Å |
| 13 | D | 49.4 | Very low | 59 | Low | 74 Ų | 74 | 103.5 Ų | 103.5 | 40% | 0.396 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -83.8 | -6.1 | -172.3 | -79.1 | -29.8 | 0 | 0 | 0 | 114.4 | D10 P11 R340 | D10-D13 VanDerWaalsContact O-CB 3.29Å; D10-D13 WeakPolarHBondContact O-CB 3.43Å; D10-D13 PolarHBondContact O-N 2.92Å; P11-D13 VanDerWaalsContact C-N 3.27Å; D13-R340 IonicContact OD1-CZ 2.71Å; D13-R340 IonicContact OD1-NH1 2.67Å; D13-R340 PolarHBondContact OD1-NH1 3.49Å; D13-R340 IonicContact OD1-NH2 3.52Å; D13-R340 PolarHBondContact OD1-NH2 2.98Å |
| 14 | S | 45.4 | Very low | 61.3 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 74% | 0.741 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -111.3 | -6.6 | -175.7 | -28.1 | 0 | 0 | 0 | 0 | 115 | ||
| 15 | S | 49.9 | Very low | 63.1 | Low | 42 Ų | 42 | 110.4 Ų | 110.4 | 29% | 0.294 | 56% | 0.556 | S | S | . | * | trans | -83.1 | 132.9 | -177.5 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | G17 | S15-G17 PolarHBondContact O-N 2.87Š| ||
| 16 | P | 56.3 | Low | 65.4 | Low | 89 Ų | 89 | 107.2 Ų | 107.2 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -63.2 | -13.6 | -175.3 | 23.8 | -33.1 | 0 | 0 | 0 | 114.3 | Q303 | P16-Q303 PolarHBondContact O-NE2 3.48Å; P16-Q303 PolarHBondContact O-OE1 2.77Å |
| 17 | G | 72.3 | Confident | 67.5 | Low | 24 Ų | 24 | 100.3 Ų | 100.3 | 25% | 0.247 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 168.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S15 E302 | S15-G17 PolarHBondContact O-N 2.87Å; G17-E302 CarbonylContact C-O 3.55Å; G17-E302 WeakPolarHBondContact CA-O 3.29Å |
| 18 | K | 87.8 | Confident | 69.5 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 29% | 0.291 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.2 | 170.3 | -65.5 | -177.4 | 176.7 | -177.7 | 0 | 109.1 | E12 Y20 V301 E302 | E12-K18 WeakPolarHBondContact OE1-CE 3.29Å; E12-K18 IonicContact OE1-NZ 3.55Å; E12-K18 PolarHBondContact OE1-NZ 3.26Å; E12-K18 IonicContact OE2-NZ 3.17Å; K18-Y20 HydrophobicContact CB-CE2 3.94Å; K18-Y20 WeakPolarHBondContact CD-OH 3.5Å; K18-V301 CarbonylContact O-C 3.57Å; K18-V301 WeakPolarHBondContact O-CA 3.42Å; K18-E302 HydrophobicContact CB-CB 4.17Å; K18-E302 PolarHBondContact N-O 2.86Å; K18-E302 PolarHBondContact O-N 3.02Å |
| 19 | I | 89.6 | Confident | 71.9 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.7 | 177.2 | -57.7 | 174.5 | 0 | 0 | 0 | 108.6 | I299 V301 M438 | I19-I299 HydrophobicContact CG2-CG2 4Å; I19-V301 HydrophobicContact CG1-CG1 4.07Å; I19-V301 HydrophobicContact CG1-CG2 4.27Å; I19-V301 HydrophobicContact CG2-CG2 4.43Å; I19-M438 HydrophobicContact CD1-CE 4.43Å |
| 20 | Y | 91.8 | Very high | 74 | Confident | 74 Ų | 74 | 83 Ų | 83 | 29% | 0.29 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.9 | 172.7 | -47.6 | -87.7 | 0 | 0 | 0 | 108.2 | K18 W247 I299 V300 E302 | K18-Y20 HydrophobicContact CB-CE2 3.94Å; K18-Y20 WeakPolarHBondContact CD-OH 3.5Å; Y20-W247 AromaticContact CD2-CD1 3.89Å; Y20-W247 AromaticContact CE2-CD1 3.69Å; Y20-I299 WeakPolarHBondContact O-CA 3.39Å; Y20-V300 HydrophobicContact CD2-CB 4.38Å; Y20-V300 PolarHBondContact N-O 3.01Å; Y20-V300 PolarHBondContact O-N 2.77Å; Y20-E302 HydrophobicContact CE2-CG 3.94Å; Y20-E302 WeakPolarHBondContact CE2-OE1 3.31Å; Y20-E302 PolarHBondContact OH-OE1 3.17Å |
| 21 | S | 90.6 | Very high | 76.1 | Confident | 35 Ų | 35 | 86 Ų | 86 | 25% | 0.245 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.1 | 176 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | L23 T298 | S21-L23 PolarHBondContact O-N 3.01Å; S21-L23 PolarHBondContact OG-N 3.01Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; S21-L23 PolarHBondContact OG-O 3.47Å; S21-T298 WeakPolarHBondContact CA-O 3.22Å; S21-T298 PolarHBondContact OG-O 2.86Å; S21-T298 VanDerWaalsContact OG-O 3.11Å |
| 22 | T | 85.8 | Confident | 78 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -73.2 | -3.4 | 166.3 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | L248 N296 T298 | T22-L248 HydrophobicContact CG2-CD1 4.48Å; T22-L248 HydrophobicContact CG2-CD2 4.38Å; T22-N296 PolarHBondContact OG1-O 2.67Å; T22-T298 HydrophobicContact CG2-CG2 3.55Å; T22-T298 PolarHBondContact N-O 3.49Å; T22-T298 PolarHBondContact OG1-N 2.71Å |
| 23 | L | 88.1 | Confident | 79.7 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 15% | 0.152 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -124 | 150 | -170.7 | -61.1 | 178.6 | 0 | 0 | 0 | 112.2 | S21 Q27 V28 D297 W328 | S21-L23 PolarHBondContact O-N 3.01Å; S21-L23 PolarHBondContact OG-N 3.01Å; S21-L23 VanDerWaalsContact OG-N 3.08Å; S21-L23 PolarHBondContact OG-O 3.47Å; L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.38Å; L23-Q27 HydrophobicContact CD2-CB 4.15Å; L23-Q27 HydrophobicContact CG-CB 4.42Å; L23-V28 HydrophobicContact CB-CG2 3.87Å; L23-D297 HydrophobicContact CD1-CB 3.93Å; L23-W328 HydrophobicContact CD1-CH2 3.72Å; L23-W328 HydrophobicContact CD1-CZ2 3.72Å |
| 24 | K | 88.6 | Confident | 81.3 | Confident | 160 Ų | 160 | 80 Ų | 80 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | trans | -78.3 | 155.9 | 167.7 | -61.4 | -173.6 | -179.8 | -175.5 | 0 | 110.2 | P26 Q27 V28 | K24-P26 VanDerWaalsContact C-CD 3.47Å; K24-P26 VanDerWaalsContact O-N 3.14Å; K24-Q27 WeakPolarHBondContact O-CA 3.46Å; K24-Q27 VanDerWaalsContact O-CB 3.31Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 2.96Å; K24-V28 PolarHBondContact O-N 3.47Å | ||
| 25 | R | 86.8 | Confident | 83.5 | Confident | 179 Ų | 179 | 76.1 Ų | 76.1 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -46.2 | -46.2 | -178.4 | -176.6 | 175.6 | -176.8 | 161.4 | 4.6 | 115.2 | Q27 V28 E29 | R25-Q27 PolarHBondContact O-N 3.21Å; R25-V28 WeakPolarHBondContact O-CB 3.35Å; R25-V28 PolarHBondContact O-N 2.82Å; R25-V28 VanDerWaalsContact O-N 3.1Å; R25-E29 HydrophobicContact CG-CG 4.48Å; R25-E29 WeakPolarHBondContact CG-OE1 3.39Å; R25-E29 IonicContact CZ-OE1 3.47Å; R25-E29 IonicContact NE-OE1 3.47Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 IonicContact NH2-OE1 3.49Å; R25-E29 PolarHBondContact NH2-OE1 2.84Å; R25-E29 PolarHBondContact O-N 2.96Å |
| 26 | P | 87.6 | Confident | 85.5 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 62% | 0.623 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.2 | -30.5 | 177.7 | -23.1 | 34.9 | 0 | 0 | 0 | 113.9 | K24 T30 | K24-P26 VanDerWaalsContact C-CD 3.47Å; K24-P26 VanDerWaalsContact O-N 3.14Å; P26-T30 PolarHBondContact O-N 3.21Å; P26-T30 PolarHBondContact O-OG1 2.92Å |
| 27 | Q | 87.9 | Confident | 87.3 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 43% | 0.425 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -78.5 | -30.7 | 177.1 | -61.7 | 170.1 | -46.8 | 0 | 0 | 111.5 | L23 K24 R25 T30 R357 | L23-Q27 HydrophobicContact CB-CB 3.98Å; L23-Q27 HydrophobicContact CD1-CB 4.38Å; L23-Q27 HydrophobicContact CD2-CB 4.15Å; L23-Q27 HydrophobicContact CG-CB 4.42Å; K24-Q27 WeakPolarHBondContact O-CA 3.46Å; K24-Q27 VanDerWaalsContact O-CB 3.31Å; K24-Q27 WeakPolarHBondContact O-CB 3.49Å; K24-Q27 PolarHBondContact O-N 2.96Å; R25-Q27 PolarHBondContact O-N 3.21Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.36Å; Q27-T30 PolarHBondContact O-OG1 3.3Å; Q27-R357 PolarHBondContact O-NH1 2.86Å; Q27-R357 PolarHBondContact O-NH2 2.8Å; Q27-R357 VanDerWaalsContact O-NH2 3.12Å |
| 28 | V | 88.2 | Confident | 88.5 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 12% | 0.121 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 171.5 | 171 | 0 | 0 | 0 | 0 | 110.6 | L23 K24 R25 T30 I299 L323 W328 R357 | L23-V28 HydrophobicContact CB-CG2 3.87Å; K24-V28 PolarHBondContact O-N 3.47Å; R25-V28 WeakPolarHBondContact O-CB 3.35Å; R25-V28 PolarHBondContact O-N 2.82Å; R25-V28 VanDerWaalsContact O-N 3.1Å; V28-T30 PolarHBondContact O-N 2.63Å; V28-I299 HydrophobicContact CB-CD1 4.45Å; V28-I299 HydrophobicContact CG1-CD1 3.65Å; V28-I299 HydrophobicContact CG2-CD1 4.04Å; V28-L323 HydrophobicContact CG1-CD2 3.93Å; V28-W328 HydrophobicContact CG1-CZ2 4.4Å; V28-W328 HydrophobicContact CG2-CZ2 4.41Å; V28-W328 PolarHBondContact O-NE1 3.32Å; V28-R357 PolarHBondContact O-NH1 3.19Å |
| 29 | E | 90.7 | Very high | 88.8 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 13.4 | -177.9 | -62.8 | 174.4 | -173 | 0 | 0 | 113.3 | R25 K31 F326 | R25-E29 HydrophobicContact CG-CG 4.48Å; R25-E29 WeakPolarHBondContact CG-OE1 3.39Å; R25-E29 IonicContact CZ-OE1 3.47Å; R25-E29 IonicContact NE-OE1 3.47Å; R25-E29 PolarHBondContact NE-OE1 3.46Å; R25-E29 IonicContact NH2-OE1 3.49Å; R25-E29 PolarHBondContact NH2-OE1 2.84Å; R25-E29 PolarHBondContact O-N 2.96Å; E29-K31 PolarHBondContact O-N 2.88Å; E29-F326 VanDerWaalsContact CA-CD1 3.5Å; E29-F326 HydrophobicContact CB-CD1 4.12Å; E29-F326 HydrophobicContact CB-CE1 3.79Å; E29-F326 HydrophobicContact CB-CE2 4.42Å; E29-F326 HydrophobicContact CB-CZ 3.95Å; E29-F326 HydrophobicContact CG-CE1 4.36Å; E29-F326 HydrophobicContact CG-CE2 4.16Å; E29-F326 HydrophobicContact CG-CZ 4.01Å; E29-F326 WeakPolarHBondContact O-CD1 3.41Å; E29-F326 VanDerWaalsContact O-CE1 3.23Å; E29-F326 WeakPolarHBondContact O-CE1 3.39Å |
| 30 | T | 88.4 | Confident | 89.1 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 34% | 0.34 | S | S | . | . | trans | -69.7 | 118.8 | 175.6 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | P26 Q27 V28 T32 | P26-T30 PolarHBondContact O-N 3.21Å; P26-T30 PolarHBondContact O-OG1 2.92Å; Q27-T30 WeakPolarHBondContact CA-OG1 3.36Å; Q27-T30 PolarHBondContact O-OG1 3.3Å; V28-T30 PolarHBondContact O-N 2.63Å; T30-T32 PolarHBondContact O-N 2.92Å | ||
| 31 | K | 84.5 | Confident | 89.2 | Confident | 179 Ų | 179 | 65.8 Ų | 65.8 | 78% | 0.778 | 33% | 0.333 | S | S | * | . | trans | -61.9 | 130.9 | 178.5 | -70 | -173.9 | 172.4 | -179 | 0 | 110.9 | E29 F326 | E29-K31 PolarHBondContact O-N 2.88Å; K31-F326 HydrophobicContact CG-CD1 4.48Å | ||
| 32 | T | 82.9 | Confident | 89.3 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | trans | -110.1 | 167.3 | 174.2 | 59.8 | 0 | 0 | 0 | 0 | 110.2 | T30 T34 F326 G327 | T30-T32 PolarHBondContact O-N 2.92Å; T32-T34 PolarHBondContact O-N 2.91Å; T32-T34 PolarHBondContact OG1-O 3.28Å; T32-T34 VanDerWaalsContact OG1-O 3.04Å; T32-F326 WeakPolarHBondContact CG2-O 3.38Å; T32-F326 PolarHBondContact OG1-O 3.19Å; T32-G327 VanDerWaalsContact OG1-CA 3.28Å; T32-G327 WeakPolarHBondContact OG1-CA 3.47Å | ||
| 33 | D | 80.3 | Confident | 89.5 | Confident | 103 Ų | 103 | 62.3 Ų | 62.3 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -73.8 | -10.3 | 178.9 | -80.4 | -29.3 | 0 | 0 | 0 | 113.6 | R360 | D33-R360 IonicContact OD2-CZ 2.94Å; D33-R360 IonicContact OD2-NH1 2.73Å; D33-R360 PolarHBondContact OD2-NH1 2.83Å |
| 34 | T | 83.9 | Confident | 89.5 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | trans | -122.1 | 122.4 | -177.3 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | T32 Y36 P104 G327 R360 | T32-T34 PolarHBondContact O-N 2.91Å; T32-T34 PolarHBondContact OG1-O 3.28Å; T32-T34 VanDerWaalsContact OG1-O 3.04Å; T34-Y36 HydrophobicContact CG2-CE1 4.09Å; T34-Y36 HydrophobicContact CG2-CE2 3.88Å; T34-Y36 WeakPolarHBondContact CG2-OH 3.35Å; T34-P104 HydrophobicContact CG2-CB 4.05Å; T34-G327 WeakPolarHBondContact O-CA 3.31Å; T34-R360 PolarHBondContact OG1-NH2 2.86Å | ||
| 35 | V | 90.7 | Very high | 89.4 | Confident | 26 Ų | 26 | 54.2 Ų | 54.2 | 16% | 0.158 | 27% | 0.274 | C | S | . | . | trans | -110.7 | 149.8 | 171.3 | 172.9 | 0 | 0 | 0 | 0 | 107.9 | P104 R105 A324 | V35-P104 CarbonylContact O-C 3.56Å; V35-P104 WeakPolarHBondContact O-CA 3.24Å; V35-R105 HydrophobicContact CB-CB 4.36Å; V35-R105 VanDerWaalsContact CG1-CZ 3.47Å; V35-R105 PolarHBondContact O-N 3.37Å; V35-A324 WeakPolarHBondContact CA-O 3.37Å; V35-A324 WeakPolarHBondContact CG1-O 2.89Å | ||
| 36 | Y | 92.7 | Very high | 89 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 144.3 | 179.7 | -63.4 | -85.4 | 0 | 0 | 0 | 111.5 | T34 R103 P104 A324 L329 P358 | T34-Y36 HydrophobicContact CG2-CE1 4.09Å; T34-Y36 HydrophobicContact CG2-CE2 3.88Å; T34-Y36 WeakPolarHBondContact CG2-OH 3.35Å; Y36-R103 CarbonylContact C-O 3.58Å; Y36-R103 WeakPolarHBondContact CA-O 3.15Å; Y36-P104 HydrophobicContact CD1-CB 4.43Å; Y36-P104 HydrophobicContact CD1-CG 4.35Å; Y36-P104 HydrophobicContact CE1-CB 4.2Å; Y36-P104 HydrophobicContact CE1-CG 3.94Å; Y36-A324 PolarHBondContact N-O 2.77Å; Y36-A324 WeakPolarHBondContact O-CB 3.41Å; Y36-L329 HydrophobicContact CD1-CD1 3.95Å; Y36-L329 HydrophobicContact CE1-CD1 3.95Å; Y36-L329 HydrophobicContact CE2-CB 4.28Å; Y36-L329 HydrophobicContact CG-CD1 4.3Å; Y36-P358 HydrophobicContact CE2-CG 4.36Å; Y36-P358 VanDerWaalsContact OH-CG 3.31Å; Y36-P358 WeakPolarHBondContact OH-CG 3.44Å |
| 37 | D | 95 | Very high | 88.4 | Confident | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.2 | 162.6 | -59.8 | -29.6 | 0 | 0 | 0 | 107.6 | Y73 A102 R103 R105 | D37-Y73 HydrophobicContact CB-CE1 4.07Å; D37-A102 CarbonylContact O-C 3.58Å; D37-A102 WeakPolarHBondContact O-CA 3.43Å; D37-R103 PolarHBondContact N-O 3.01Å; D37-R103 PolarHBondContact O-N 3.27Å; D37-R103 IonicContact OD2-CZ 2.99Å; D37-R103 IonicContact OD2-NE 2.91Å; D37-R103 IonicContact OD2-NH2 2.74Å; D37-R103 PolarHBondContact OD2-NH2 3.35Å; D37-R105 IonicContact OD1-CZ 2.86Å; D37-R105 IonicContact OD1-NE 3.43Å; D37-R105 PolarHBondContact OD1-NE 3.11Å; D37-R105 IonicContact OD1-NH2 3.31Å; D37-R105 PolarHBondContact OD1-NH2 3.08Å |
| 38 | Y | 96.3 | Very high | 87.5 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 149.6 | 175.2 | -72.8 | -80.5 | 0 | 0 | 0 | 111.6 | V76 V100 L101 A102 L320 H321 A324 W328 L329 L330 | Y38-V76 HydrophobicContact CE1-CG2 4.36Å; Y38-V100 HydrophobicContact CD1-CG1 3.85Å; Y38-V100 HydrophobicContact CE1-CG1 4.41Å; Y38-L101 CarbonylContact C-O 3.51Å; Y38-L101 VanDerWaalsContact CA-O 3.32Å; Y38-L101 WeakPolarHBondContact CA-O 3.21Å; Y38-A102 HydrophobicContact CD1-CB 3.86Å; Y38-A102 HydrophobicContact CE1-CB 3.6Å; Y38-L320 HydrophobicContact CD2-CB 4.2Å; Y38-L320 HydrophobicContact CE2-CB 4.39Å; Y38-L320 HydrophobicContact CG-CB 4.49Å; Y38-H321 PolarHBondContact O-CE1 3.17Å; Y38-H321 VanDerWaalsContact O-CE1 3.25Å; Y38-A324 HydrophobicContact CD2-CB 3.79Å; Y38-A324 HydrophobicContact CE2-CB 3.56Å; Y38-W328 PolarHBondContact OH-O 3.34Å; Y38-L329 WeakPolarHBondContact OH-CA 3.24Å; Y38-L330 HydrophobicContact CE1-CB 3.96Å; Y38-L330 PolarHBondContact OH-N 3.05Å |
| 39 | V | 95.6 | Very high | 86.9 | Confident | 32 Ų | 32 | 49.4 Ų | 49.4 | 19% | 0.194 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 126 | 165.3 | 179 | 0 | 0 | 0 | 0 | 107.4 | L41 F68 Y73 L101 | V39-L41 HydrophobicContact CG1-CD2 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.92Å; V39-F68 HydrophobicContact CG1-CD1 4.42Å; V39-F68 HydrophobicContact CG1-CE1 3.92Å; V39-Y73 HydrophobicContact CB-CE1 4.46Å; V39-Y73 HydrophobicContact CG2-CD1 4.15Å; V39-Y73 HydrophobicContact CG2-CE1 3.57Å; V39-Y73 HydrophobicContact CG2-CE2 4.42Å; V39-L101 HydrophobicContact CB-CB 4.28Å; V39-L101 HydrophobicContact CB-CD1 4.42Å; V39-L101 PolarHBondContact N-O 2.83Å; V39-L101 PolarHBondContact O-N 2.93Å |
| 40 | L | 95 | Very high | 86.1 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.8 | 175.3 | -72.6 | 70.4 | 0 | 0 | 0 | 107.3 | V100 Y316 | L40-V100 HydrophobicContact CD1-CG1 4.32Å; L40-V100 HydrophobicContact CG-CG1 4.36Å; L40-V100 HydrophobicContact CG-CG2 4.33Å; L40-Y316 HydrophobicContact CD2-CD2 4.38Å; L40-Y316 HydrophobicContact CD2-CE2 3.92Å |
| 41 | L | 93.5 | Very high | 85.6 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.5 | 179.9 | -61.8 | 173.5 | 0 | 0 | 0 | 109.2 | V39 F43 L65 F68 R98 A99 L101 | V39-L41 HydrophobicContact CG1-CD2 3.8Å; V39-L41 HydrophobicContact CG1-CG 3.92Å; L41-F43 HydrophobicContact CB-CD2 4.44Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 3.87Å; L41-F43 HydrophobicContact CD1-CZ 4.22Å; L41-L65 HydrophobicContact CD1-CD2 3.46Å; L41-L65 VanDerWaalsContact CD1-CD2 3.46Å; L41-F68 HydrophobicContact CD1-CD2 3.85Å; L41-F68 HydrophobicContact CD1-CE1 4.36Å; L41-F68 HydrophobicContact CD1-CE2 3.48Å; L41-F68 VanDerWaalsContact CD1-CE2 3.48Å; L41-F68 HydrophobicContact CD1-CG 4.43Å; L41-F68 HydrophobicContact CD1-CZ 3.76Å; L41-F68 HydrophobicContact CD2-CE1 4.45Å; L41-F68 HydrophobicContact CD2-CE2 4.27Å; L41-F68 HydrophobicContact CD2-CZ 3.81Å; L41-F68 HydrophobicContact CG-CZ 4.37Å; L41-R98 WeakPolarHBondContact O-CA 3.5Å; L41-A99 PolarHBondContact N-O 2.98Å; L41-A99 PolarHBondContact O-N 3.35Å; L41-L101 HydrophobicContact CD1-CD1 3.55Å; L41-L101 HydrophobicContact CG-CD1 4.35Å |
| 42 | D | 92.3 | Very high | 85.6 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.4 | 178.1 | -64.6 | -21.8 | 0 | 0 | 0 | 110 | I52 Q53 I81 Y97 R98 V312 | D42-I52 HydrophobicContact CB-CG1 4.33Å; D42-I52 HydrophobicContact CB-CG2 4.26Å; D42-I52 VanDerWaalsContact O-CG2 3.23Å; D42-I52 WeakPolarHBondContact O-CG2 3.33Å; D42-Q53 PolarHBondContact O-N 2.99Å; D42-Q53 VanDerWaalsContact O-N 3.15Å; D42-I81 HydrophobicContact CB-CD1 4.25Å; D42-Y97 CarbonylContact C-O 3.6Å; D42-Y97 WeakPolarHBondContact CA-O 3.39Å; D42-R98 IonicContact OD1-CZ 2.63Å; D42-R98 IonicContact OD1-NE 3.75Å; D42-R98 PolarHBondContact OD1-NE 3.35Å; D42-R98 IonicContact OD1-NH2 2.96Å; D42-R98 PolarHBondContact OD1-NH2 3.33Å; D42-R98 IonicContact OD2-CZ 3.6Å; D42-R98 IonicContact OD2-NE 2.64Å; D42-R98 IonicContact OD2-NH2 3.13Å; D42-R98 PolarHBondContact OD2-NH2 3.32Å; D42-V312 WeakPolarHBondContact OD2-CG2 3.15Å |
| 43 | F | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.5 | -177.3 | -63 | -86.5 | 0 | 0 | 0 | 110.9 | L41 I52 Q53 V55 L61 A64 L65 L96 Y97 A99 | L41-F43 HydrophobicContact CB-CD2 4.44Å; L41-F43 HydrophobicContact CB-CE2 3.53Å; L41-F43 HydrophobicContact CB-CZ 3.87Å; L41-F43 HydrophobicContact CD1-CZ 4.22Å; F43-I52 VanDerWaalsContact C-CG2 3.48Å; F43-Q53 CarbonylContact C-O 3.55Å; F43-Q53 VanDerWaalsContact CA-O 3.27Å; F43-Q53 WeakPolarHBondContact CA-O 3.26Å; F43-Q53 HydrophobicContact CD1-CB 3.91Å; F43-Q53 HydrophobicContact CD1-CG 4.19Å; F43-Q53 HydrophobicContact CE1-CB 4.04Å; F43-Q53 HydrophobicContact CE1-CG 4.12Å; F43-Q53 VanDerWaalsContact CE1-OE1 3.23Å; F43-V55 HydrophobicContact CB-CG2 4.1Å; F43-V55 HydrophobicContact CD1-CG1 3.84Å; F43-V55 HydrophobicContact CD1-CG2 4.16Å; F43-V55 HydrophobicContact CE1-CG1 4.28Å; F43-V55 HydrophobicContact CG-CG2 4.47Å; F43-L61 HydrophobicContact CD1-CD2 3.92Å; F43-L61 HydrophobicContact CD2-CD2 3.86Å; F43-L61 HydrophobicContact CE1-CD2 3.84Å; F43-L61 HydrophobicContact CE2-CD2 3.8Å; F43-L61 HydrophobicContact CG-CD2 3.92Å; F43-L61 HydrophobicContact CZ-CD2 3.8Å; F43-A64 HydrophobicContact CE1-CB 4.06Å; F43-L65 HydrophobicContact CE2-CD2 4.23Å; F43-L65 HydrophobicContact CZ-CD2 3.76Å; F43-L96 CarbonylContact O-C 3.59Å; F43-L96 VanDerWaalsContact O-CA 3.3Å; F43-L96 WeakPolarHBondContact O-CA 3.42Å; F43-Y97 PolarHBondContact N-O 3.31Å; F43-Y97 PolarHBondContact O-N 2.86Å; F43-A99 HydrophobicContact CD2-CB 4.2Å; F43-A99 HydrophobicContact CE2-CB 3.64Å |
| 44 | S | 88.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.4 | 176.3 | 169.1 | 0 | 0 | 0 | 0 | 110 | E46 G47 Q53 Y54 V55 | S44-E46 PolarHBondContact OG-N 3.46Å; S44-G47 WeakPolarHBondContact CB-O 3.22Å; S44-G47 PolarHBondContact OG-N 2.87Å; S44-G47 PolarHBondContact OG-O 3.08Å; S44-Q53 PolarHBondContact N-O 3.47Å; S44-Y54 WeakPolarHBondContact O-CA 2.83Å; S44-Y54 VanDerWaalsContact O-CD2 3.29Å; S44-Y54 WeakPolarHBondContact O-CD2 3.35Å; S44-V55 PolarHBondContact O-N 3.38Å; S44-V55 VanDerWaalsContact O-N 3.12Å |
| 45 | L | 85.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -91.2 | -2.4 | 171.5 | -46.3 | -178.9 | 0 | 0 | 0 | 113.6 | V55 L58 L95 Y97 Q160 | L45-V55 WeakPolarHBondContact CA-O 3.06Å; L45-V55 HydrophobicContact CD2-CG2 3.59Å; L45-V55 WeakPolarHBondContact CD2-O 3.39Å; L45-L58 HydrophobicContact CD1-CG 4.34Å; L45-L58 HydrophobicContact CD2-CD2 4.07Å; L45-L58 HydrophobicContact CD2-CG 4.31Å; L45-L95 HydrophobicContact CB-CB 4.05Å; L45-L95 HydrophobicContact CB-CD1 4.29Å; L45-L95 HydrophobicContact CG-CB 4.47Å; L45-L95 PolarHBondContact N-O 2.64Å; L45-L95 VanDerWaalsContact N-O 3.11Å; L45-Y97 HydrophobicContact CD1-CD2 4.2Å; L45-Y97 HydrophobicContact CD1-CE2 3.55Å; L45-Y97 HydrophobicContact CG-CD2 4.15Å; L45-Y97 HydrophobicContact CG-CE2 3.93Å; L45-Q160 HydrophobicContact CD1-CG 3.77Å |
| 46 | E | 79.3 | Confident | 86 | Confident | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -108.2 | 0.7 | -174.6 | -70.1 | -179.7 | 154.6 | 0 | 0 | 114.2 | S44 L95 | S44-E46 PolarHBondContact OG-N 3.46Å; E46-L95 HydrophobicContact CG-CB 3.79Å; E46-L95 HydrophobicContact CG-CD1 3.34Å; E46-L95 HydrophobicContact CG-CG 3.92Å; E46-L95 WeakPolarHBondContact OE1-CD1 3.43Å |
| 47 | G | 73.4 | Confident | 85.8 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | trans | 140.4 | 164.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S44 Y54 | S44-G47 WeakPolarHBondContact CB-O 3.22Å; S44-G47 PolarHBondContact OG-N 2.87Å; S44-G47 PolarHBondContact OG-O 3.08Å; G47-Y54 VanDerWaalsContact N-CE2 3.27Å | ||
| 48 | S | 69.9 | Low | 85.6 | Confident | 99 Ų | 99 | 46.2 Ų | 46.2 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | trans | -76.6 | 137.6 | 179.1 | 60.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 49 | R | 75.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 23% | 0.234 | 28% | 0.276 | C | S | . | . | trans | -126.2 | 163.7 | 176.3 | -64.1 | 156 | 171 | -143.2 | 1.3 | 108.8 | T51 I52 P310 | R49-T51 PolarHBondContact O-N 3.16Å; R49-T51 VanDerWaalsContact O-N 3.13Å; R49-I52 HydrophobicContact CB-CB 4.13Å; R49-I52 PolarHBondContact N-O 3.28Å; R49-I52 PolarHBondContact O-N 3.34Å; R49-I52 VanDerWaalsContact O-O 3.09Å; R49-P310 HydrophobicContact CB-CB 4.1Å; R49-P310 HydrophobicContact CG-CB 4.09Å; R49-P310 VanDerWaalsContact NH1-CA 3.27Å | ||
| 50 | P | 73 | Confident | 85.2 | Confident | 128 Ų | 128 | 50.4 Ų | 50.4 | 83% | 0.831 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -57.4 | -32.6 | -171.9 | -25.7 | 35.1 | 0 | 0 | 0 | 114.5 | ||
| 51 | T | 77.9 | Confident | 85.2 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -116.1 | -14.8 | -173.1 | 49 | 0 | 0 | 0 | 0 | 113.3 | R49 D311 | R49-T51 PolarHBondContact O-N 3.16Å; R49-T51 VanDerWaalsContact O-N 3.13Å; T51-D311 WeakPolarHBondContact CB-OD1 3.39Å; T51-D311 VanDerWaalsContact CG2-OD1 3.22Å; T51-D311 WeakPolarHBondContact CG2-OD1 3.42Å; T51-D311 PolarHBondContact OG1-OD1 2.77Å |
| 52 | I | 84.3 | Confident | 85.2 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -111.6 | 129.3 | -176.2 | -54.8 | 170.6 | 0 | 0 | 0 | 109.7 | D42 F43 R49 L96 P310 | D42-I52 HydrophobicContact CB-CG1 4.33Å; D42-I52 HydrophobicContact CB-CG2 4.26Å; D42-I52 VanDerWaalsContact O-CG2 3.23Å; D42-I52 WeakPolarHBondContact O-CG2 3.33Å; F43-I52 VanDerWaalsContact C-CG2 3.48Å; R49-I52 HydrophobicContact CB-CB 4.13Å; R49-I52 PolarHBondContact N-O 3.28Å; R49-I52 PolarHBondContact O-N 3.34Å; R49-I52 VanDerWaalsContact O-O 3.09Å; I52-L96 HydrophobicContact CD1-CD1 3.86Å; I52-L96 HydrophobicContact CD1-CD2 3.75Å; I52-L96 HydrophobicContact CD1-CG 4.5Å; I52-L96 HydrophobicContact CG2-CD2 4.2Å; I52-P310 HydrophobicContact CD1-CB 4.1Å; I52-P310 WeakPolarHBondContact CD1-O 3.39Å |
| 53 | Q | 86.4 | Confident | 85.3 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.9 | 176.8 | -171.9 | 169.6 | 8.3 | 0 | 0 | 111 | D42 F43 S44 | D42-Q53 PolarHBondContact O-N 2.99Å; D42-Q53 VanDerWaalsContact O-N 3.15Å; F43-Q53 CarbonylContact C-O 3.55Å; F43-Q53 VanDerWaalsContact CA-O 3.27Å; F43-Q53 WeakPolarHBondContact CA-O 3.26Å; F43-Q53 HydrophobicContact CD1-CB 3.91Å; F43-Q53 HydrophobicContact CD1-CG 4.19Å; F43-Q53 HydrophobicContact CE1-CB 4.04Å; F43-Q53 HydrophobicContact CE1-CG 4.12Å; F43-Q53 VanDerWaalsContact CE1-OE1 3.23Å; S44-Q53 PolarHBondContact N-O 3.47Å |
| 54 | Y | 88.1 | Confident | 85.4 | Confident | 110 Ų | 110 | 55.4 Ų | 55.4 | 43% | 0.431 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.3 | 170.3 | 177.1 | -113.5 | 0 | 0 | 0 | 111.1 | S44 G47 | S44-Y54 WeakPolarHBondContact O-CA 2.83Å; S44-Y54 VanDerWaalsContact O-CD2 3.29Å; S44-Y54 WeakPolarHBondContact O-CD2 3.35Å; G47-Y54 VanDerWaalsContact N-CE2 3.27Å |
| 55 | V | 88.4 | Confident | 85.7 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | trans | -136.2 | 138.7 | 166.8 | -67.5 | 0 | 0 | 0 | 0 | 108.2 | F43 S44 L45 S57 E60 A64 | F43-V55 HydrophobicContact CB-CG2 4.1Å; F43-V55 HydrophobicContact CD1-CG1 3.84Å; F43-V55 HydrophobicContact CD1-CG2 4.16Å; F43-V55 HydrophobicContact CE1-CG1 4.28Å; F43-V55 HydrophobicContact CG-CG2 4.47Å; S44-V55 PolarHBondContact O-N 3.38Å; S44-V55 VanDerWaalsContact O-N 3.12Å; L45-V55 WeakPolarHBondContact CA-O 3.06Å; L45-V55 HydrophobicContact CD2-CG2 3.59Å; L45-V55 WeakPolarHBondContact CD2-O 3.39Å; V55-S57 PolarHBondContact O-N 2.81Å; V55-E60 HydrophobicContact CB-CB 4.45Å; V55-A64 HydrophobicContact CG1-CB 4.31Å | ||
| 56 | S | 84.1 | Confident | 86 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -70.2 | -25.3 | -177.7 | -6.1 | 0 | 0 | 0 | 0 | 112.2 | E60 | S56-E60 WeakPolarHBondContact CB-OE1 3.44Å; S56-E60 PolarHBondContact N-OE2 3.45Å; S56-E60 PolarHBondContact OG-OE1 3.01Å; S56-E60 PolarHBondContact OG-OE2 2.84Å; S56-E60 VanDerWaalsContact OG-OE2 3.08Å |
| 57 | S | 88.1 | Confident | 86.7 | Confident | 28 Ų | 28 | 58.4 Ų | 58.4 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | trans | -157 | 151.1 | -178.6 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | V55 C59 E60 | V55-S57 PolarHBondContact O-N 2.81Å; S57-C59 PolarHBondContact O-N 3.1Å; S57-C59 VanDerWaalsContact O-N 3.1Å; S57-C59 PolarHBondContact OG-N 2.85Å; S57-E60 WeakPolarHBondContact O-CB 3.42Å; S57-E60 PolarHBondContact O-N 3.01Å | ||
| 58 | L | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -64.8 | -13.7 | 172 | -57.9 | 173.9 | 0 | 0 | 0 | 112.1 | L45 E60 L61 Y97 V158 Q160 L204 F206 | L45-L58 HydrophobicContact CD1-CG 4.34Å; L45-L58 HydrophobicContact CD2-CD2 4.07Å; L45-L58 HydrophobicContact CD2-CG 4.31Å; L58-E60 PolarHBondContact O-N 3.23Å; L58-L61 HydrophobicContact CB-CD1 4.08Å; L58-L61 HydrophobicContact CB-CG 4.42Å; L58-L61 HydrophobicContact CD2-CD1 3.9Å; L58-L61 HydrophobicContact CD2-CG 4.34Å; L58-L61 VanDerWaalsContact O-CB 3.31Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 3.04Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L58-Y97 HydrophobicContact CD1-CD1 3.82Å; L58-Y97 HydrophobicContact CD1-CD2 4.43Å; L58-Y97 HydrophobicContact CD1-CE1 3.7Å; L58-Y97 HydrophobicContact CD1-CE2 4.34Å; L58-Y97 HydrophobicContact CD1-CG 4.2Å; L58-Y97 HydrophobicContact CD2-CD1 4.25Å; L58-Y97 HydrophobicContact CD2-CD2 3.93Å; L58-Y97 HydrophobicContact CD2-CE2 4.47Å; L58-Y97 HydrophobicContact CD2-CG 3.81Å; L58-V158 HydrophobicContact CD1-CG1 4.02Å; L58-Q160 VanDerWaalsContact CB-OE1 3.26Å; L58-Q160 HydrophobicContact CD1-CB 4.16Å; L58-Q160 HydrophobicContact CD1-CG 4.02Å; L58-Q160 HydrophobicContact CG-CG 4.36Å; L58-L204 HydrophobicContact CB-CD1 3.69Å; L58-L204 HydrophobicContact CD1-CD1 4.27Å; L58-L204 HydrophobicContact CG-CD1 4.47Å; L58-F206 HydrophobicContact CB-CZ 4.17Å |
| 59 | C | 91.7 | Very high | 88.8 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 37% | 0.365 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -62.2 | -18 | 169.8 | -62 | 0 | 0 | 0 | 0 | 113.6 | S57 P62 V122 | S57-C59 PolarHBondContact O-N 3.1Å; S57-C59 VanDerWaalsContact O-N 3.1Å; S57-C59 PolarHBondContact OG-N 2.85Å; C59-P62 WeakPolarHBondContact O-CD 3.4Å; C59-V122 HydrophobicContact CB-CG1 4.2Å |
| 60 | E | 92.1 | Very high | 89.5 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 35% | 0.346 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -88.3 | -8.3 | 178 | -64.3 | 173.2 | -176.7 | 0 | 0 | 112.8 | V55 S56 S57 L58 P62 Q63 A64 | V55-E60 HydrophobicContact CB-CB 4.45Å; S56-E60 WeakPolarHBondContact CB-OE1 3.44Å; S56-E60 PolarHBondContact N-OE2 3.45Å; S56-E60 PolarHBondContact OG-OE1 3.01Å; S56-E60 PolarHBondContact OG-OE2 2.84Å; S56-E60 VanDerWaalsContact OG-OE2 3.08Å; S57-E60 WeakPolarHBondContact O-CB 3.42Å; S57-E60 PolarHBondContact O-N 3.01Å; L58-E60 PolarHBondContact O-N 3.23Å; E60-P62 VanDerWaalsContact C-CD 3.44Å; E60-P62 VanDerWaalsContact C-N 3.35Å; E60-Q63 PolarHBondContact O-N 2.78Å; E60-A64 PolarHBondContact O-N 2.79Å |
| 61 | L | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.7 | -39.8 | 178.6 | -73 | 179.1 | 0 | 0 | 0 | 114 | F43 L58 Q63 A64 L65 L78 L120 F206 | F43-L61 HydrophobicContact CD1-CD2 3.92Å; F43-L61 HydrophobicContact CD2-CD2 3.86Å; F43-L61 HydrophobicContact CE1-CD2 3.84Å; F43-L61 HydrophobicContact CE2-CD2 3.8Å; F43-L61 HydrophobicContact CG-CD2 3.92Å; F43-L61 HydrophobicContact CZ-CD2 3.8Å; L58-L61 HydrophobicContact CB-CD1 4.08Å; L58-L61 HydrophobicContact CB-CG 4.42Å; L58-L61 HydrophobicContact CD2-CD1 3.9Å; L58-L61 HydrophobicContact CD2-CG 4.34Å; L58-L61 VanDerWaalsContact O-CB 3.31Å; L58-L61 WeakPolarHBondContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CG 3.31Å; L58-L61 PolarHBondContact O-N 3.04Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L61-Q63 PolarHBondContact O-N 3.5Å; L61-A64 PolarHBondContact O-N 2.82Å; L61-L65 HydrophobicContact CB-CD1 4.33Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 2.78Å; L61-L78 HydrophobicContact CD1-CD1 3.77Å; L61-L78 HydrophobicContact CD1-CD2 3.55Å; L61-L78 HydrophobicContact CD1-CG 4.35Å; L61-L120 HydrophobicContact CB-CD2 4.44Å; L61-F206 HydrophobicContact CB-CE1 4.41Å; L61-F206 HydrophobicContact CD1-CE1 4Å; L61-F206 HydrophobicContact CD1-CZ 4.1Å |
| 62 | P | 94.6 | Very high | 90.9 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 21% | 0.214 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.1 | -38.6 | 174 | -30.4 | 38.2 | 0 | 0 | 0 | 114.1 | C59 E60 Q66 L120 V122 | C59-P62 WeakPolarHBondContact O-CD 3.4Å; E60-P62 VanDerWaalsContact C-CD 3.44Å; E60-P62 VanDerWaalsContact C-N 3.35Å; P62-Q66 PolarHBondContact O-N 2.84Å; P62-L120 HydrophobicContact CB-CB 4.38Å; P62-L120 WeakPolarHBondContact CB-O 3.44Å; P62-L120 HydrophobicContact CG-CB 4.47Å; P62-L120 HydrophobicContact CG-CD2 4.37Å; P62-L120 HydrophobicContact CG-CG 4.24Å; P62-V122 HydrophobicContact CG-CB 4.35Å; P62-V122 HydrophobicContact CG-CG1 3.92Å |
| 63 | Q | 93.1 | Very high | 91.3 | Very high | 153 Ų | 153 | 54.6 Ų | 54.6 | 72% | 0.715 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -78.6 | -43.4 | 178.1 | -172.6 | 175.6 | 7.6 | 0 | 0 | 111.2 | E60 L61 L65 Q66 | E60-Q63 PolarHBondContact O-N 2.78Å; L61-Q63 PolarHBondContact O-N 3.5Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.49Å; Q63-Q66 WeakPolarHBondContact O-CB 3.39Å; Q63-Q66 PolarHBondContact O-N 2.85Å |
| 64 | A | 93.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 V55 E60 L61 | F43-A64 HydrophobicContact CE1-CB 4.06Å; V55-A64 HydrophobicContact CG1-CB 4.31Å; E60-A64 PolarHBondContact O-N 2.79Å; L61-A64 PolarHBondContact O-N 2.82Å |
| 65 | L | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.9 | -177.9 | -59.7 | 177.6 | 0 | 0 | 0 | 113.5 | L41 F43 L61 Q63 S67 F68 Y69 L75 L101 L120 | L41-L65 HydrophobicContact CD1-CD2 3.46Å; L41-L65 VanDerWaalsContact CD1-CD2 3.46Å; F43-L65 HydrophobicContact CE2-CD2 4.23Å; F43-L65 HydrophobicContact CZ-CD2 3.76Å; L61-L65 HydrophobicContact CB-CD1 4.33Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.26Å; L61-L65 WeakPolarHBondContact O-CG 3.48Å; L61-L65 PolarHBondContact O-N 2.78Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.49Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.6Å; L65-S67 VanDerWaalsContact O-N 3.16Å; L65-F68 WeakPolarHBondContact O-CB 3.43Å; L65-F68 PolarHBondContact O-N 3.42Å; L65-Y69 HydrophobicContact CB-CD2 4.01Å; L65-Y69 HydrophobicContact CB-CE2 3.95Å; L65-Y69 HydrophobicContact CD1-CE2 4.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.34Å; L65-Y69 VanDerWaalsContact O-N 3.16Å; L65-L75 HydrophobicContact CD1-CD1 4.27Å; L65-L101 HydrophobicContact CD1-CD2 4.43Å; L65-L101 HydrophobicContact CD2-CD1 4.19Å; L65-L120 HydrophobicContact CD1-CD2 3.81Å |
| 66 | Q | 93.2 | Very high | 92.4 | Very high | 121 Ų | 121 | 47.4 Ų | 47.4 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -55 | -40.6 | -171 | -171.8 | 177.6 | 20.1 | 0 | 0 | 113.4 | P62 Q63 F68 Y69 T70 | P62-Q66 PolarHBondContact O-N 2.84Å; Q63-Q66 WeakPolarHBondContact O-CB 3.39Å; Q63-Q66 PolarHBondContact O-N 2.85Å; Q66-F68 VanDerWaalsContact C-N 3.26Å; Q66-F68 PolarHBondContact O-N 3.13Å; Q66-Y69 PolarHBondContact O-N 3.36Å; Q66-T70 WeakPolarHBondContact O-CG2 3.33Å; Q66-T70 PolarHBondContact O-N 3.05Å; Q66-T70 VanDerWaalsContact O-N 3.08Å |
| 67 | S | 93.4 | Very high | 93 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 43% | 0.434 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -26 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 113.5 | L65 T70 Q71 | L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.6Å; L65-S67 VanDerWaalsContact O-N 3.16Å; S67-T70 PolarHBondContact O-OG1 3.33Å; S67-Q71 WeakPolarHBondContact O-CG 3.34Å; S67-Q71 PolarHBondContact O-NE2 2.81Å |
| 68 | F | 94.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.189 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -80.1 | -38.9 | 175.2 | -65.4 | -84.9 | 0 | 0 | 0 | 110.8 | V39 L41 L65 Q66 T70 Q71 G72 Y73 L101 | V39-F68 HydrophobicContact CG1-CD1 4.42Å; V39-F68 HydrophobicContact CG1-CE1 3.92Å; L41-F68 HydrophobicContact CD1-CD2 3.85Å; L41-F68 HydrophobicContact CD1-CE1 4.36Å; L41-F68 HydrophobicContact CD1-CE2 3.48Å; L41-F68 VanDerWaalsContact CD1-CE2 3.48Å; L41-F68 HydrophobicContact CD1-CG 4.43Å; L41-F68 HydrophobicContact CD1-CZ 3.76Å; L41-F68 HydrophobicContact CD2-CE1 4.45Å; L41-F68 HydrophobicContact CD2-CE2 4.27Å; L41-F68 HydrophobicContact CD2-CZ 3.81Å; L41-F68 HydrophobicContact CG-CZ 4.37Å; L65-F68 WeakPolarHBondContact O-CB 3.43Å; L65-F68 PolarHBondContact O-N 3.42Å; Q66-F68 VanDerWaalsContact C-N 3.26Å; Q66-F68 PolarHBondContact O-N 3.13Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.28Å; F68-Q71 CarbonylContact O-C 3.38Å; F68-Q71 WeakPolarHBondContact O-CA 3.31Å; F68-Q71 WeakPolarHBondContact O-CB 3.44Å; F68-Q71 PolarHBondContact O-N 3.12Å; F68-G72 PolarHBondContact O-N 2.83Å; F68-Y73 HydrophobicContact CB-CD2 4.47Å; F68-Y73 HydrophobicContact CD1-CD2 4.48Å; F68-Y73 WeakPolarHBondContact O-CB 3.36Å; F68-Y73 PolarHBondContact O-N 2.68Å; F68-L101 HydrophobicContact CB-CD1 3.58Å; F68-L101 HydrophobicContact CD1-CD1 3.84Å; F68-L101 HydrophobicContact CD2-CD1 4.05Å; F68-L101 HydrophobicContact CG-CD1 3.55Å |
| 69 | Y | 92.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 4% | 0.043 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 174.2 | -84.1 | -94.7 | 0 | 0 | 0 | 112.5 | L65 Q66 Q71 G72 Y73 A74 L75 L101 A117 P118 L120 H208 | L65-Y69 HydrophobicContact CB-CD2 4.01Å; L65-Y69 HydrophobicContact CB-CE2 3.95Å; L65-Y69 HydrophobicContact CD1-CE2 4.49Å; L65-Y69 WeakPolarHBondContact O-CD2 3.4Å; L65-Y69 PolarHBondContact O-N 3.34Å; L65-Y69 VanDerWaalsContact O-N 3.16Å; Q66-Y69 PolarHBondContact O-N 3.36Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Y69-G72 PolarHBondContact O-N 3.34Å; Y69-Y73 WeakPolarHBondContact CA-O 3.47Å; Y69-Y73 WeakPolarHBondContact CD1-O 3.32Å; Y69-A74 HydrophobicContact CE1-CB 4.26Å; Y69-L75 VanDerWaalsContact OH-CB 3.24Å; Y69-L75 WeakPolarHBondContact OH-CB 3.4Å; Y69-L75 PolarHBondContact OH-N 2.46Å; Y69-L75 VanDerWaalsContact OH-N 3.12Å; Y69-L101 HydrophobicContact CE2-CD2 4.3Å; Y69-A117 WeakPolarHBondContact O-CB 3.36Å; Y69-P118 HydrophobicContact CD1-CG 4.13Å; Y69-P118 WeakPolarHBondContact CD1-O 3.37Å; Y69-P118 HydrophobicContact CE1-CB 4.25Å; Y69-P118 HydrophobicContact CE1-CG 3.92Å; Y69-L120 HydrophobicContact CE2-CB 4.08Å; Y69-H208 AromaticContact CZ-NE2 3.89Å; Y69-H208 PolarHBondContact OH-CD2 2.84Å; Y69-H208 VanDerWaalsContact OH-CD2 3.23Å; Y69-H208 PolarHBondContact OH-NE2 3.45Å |
| 70 | T | 90.7 | Very high | 93.4 | Very high | 111 Ų | 111 | 42.6 Ų | 42.6 | 68% | 0.681 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.6 | 173.9 | 57.8 | 0 | 0 | 0 | 0 | 113.3 | Q66 S67 F68 G72 | Q66-T70 WeakPolarHBondContact O-CG2 3.33Å; Q66-T70 PolarHBondContact O-N 3.05Å; Q66-T70 VanDerWaalsContact O-N 3.08Å; S67-T70 PolarHBondContact O-OG1 3.33Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.28Å; T70-G72 VanDerWaalsContact C-N 3.29Å |
| 71 | Q | 90.5 | Very high | 93.3 | Very high | 102 Ų | 102 | 39.1 Ų | 39.1 | 48% | 0.477 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.6 | 172.4 | -67.1 | 171.8 | 57.1 | 0 | 0 | 113.1 | S67 F68 Y69 Y73 R103 | S67-Q71 WeakPolarHBondContact O-CG 3.34Å; S67-Q71 PolarHBondContact O-NE2 2.81Å; F68-Q71 CarbonylContact O-C 3.38Å; F68-Q71 WeakPolarHBondContact O-CA 3.31Å; F68-Q71 WeakPolarHBondContact O-CB 3.44Å; F68-Q71 PolarHBondContact O-N 3.12Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Q71-Y73 HydrophobicContact CB-CD2 3.96Å; Q71-Y73 HydrophobicContact CB-CE2 4.24Å; Q71-R103 WeakPolarHBondContact O-CD 3.37Å; Q71-R103 PolarHBondContact O-NH1 3.07Å |
| 72 | G | 90 | Very high | 92.9 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 38% | 0.381 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 6.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | F68 Y69 T70 R103 | F68-G72 PolarHBondContact O-N 2.83Å; Y69-G72 PolarHBondContact O-N 3.34Å; T70-G72 VanDerWaalsContact C-N 3.29Å; G72-R103 VanDerWaalsContact O-CG 3.27Å; G72-R103 WeakPolarHBondContact O-CG 3.38Å |
| 73 | Y | 93.4 | Very high | 92.4 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | trans | -76.4 | 147.4 | 171.2 | -70 | -88.2 | 0 | 0 | 0 | 111 | D37 V39 F68 Y69 Q71 L101 R103 | D37-Y73 HydrophobicContact CB-CE1 4.07Å; V39-Y73 HydrophobicContact CB-CE1 4.46Å; V39-Y73 HydrophobicContact CG2-CD1 4.15Å; V39-Y73 HydrophobicContact CG2-CE1 3.57Å; V39-Y73 HydrophobicContact CG2-CE2 4.42Å; F68-Y73 HydrophobicContact CB-CD2 4.47Å; F68-Y73 HydrophobicContact CD1-CD2 4.48Å; F68-Y73 WeakPolarHBondContact O-CB 3.36Å; F68-Y73 PolarHBondContact O-N 2.68Å; Y69-Y73 WeakPolarHBondContact CA-O 3.47Å; Y69-Y73 WeakPolarHBondContact CD1-O 3.32Å; Q71-Y73 HydrophobicContact CB-CD2 3.96Å; Q71-Y73 HydrophobicContact CB-CE2 4.24Å; Y73-L101 HydrophobicContact CD1-CB 4.18Å; Y73-L101 HydrophobicContact CG-CB 4.5Å; Y73-R103 HydrophobicContact CD1-CB 3.55Å; Y73-R103 HydrophobicContact CD2-CB 4.45Å; Y73-R103 HydrophobicContact CE1-CB 3.73Å; Y73-R103 HydrophobicContact CG-CB 3.93Å; Y73-R103 PolarHBondContact OH-NH2 3.23Å | ||
| 74 | A | 93.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | Y69 V76 L101 A102 P118 | Y69-A74 HydrophobicContact CE1-CB 4.26Å; A74-V76 PolarHBondContact O-N 3Å; A74-L101 CarbonylContact O-C 3.47Å; A74-L101 WeakPolarHBondContact O-CA 3.47Å; A74-A102 PolarHBondContact N-O 3.28Å; A74-A102 PolarHBondContact O-N 2.85Å; A74-P118 HydrophobicContact CB-CG 4.23Å |
| 75 | L | 96.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 125.1 | 175 | -173.6 | 70.2 | 0 | 0 | 0 | 110.2 | L65 Y69 A77 L78 A99 L101 L120 V155 H208 | L65-L75 HydrophobicContact CD1-CD1 4.27Å; Y69-L75 VanDerWaalsContact OH-CB 3.24Å; Y69-L75 WeakPolarHBondContact OH-CB 3.4Å; Y69-L75 PolarHBondContact OH-N 2.46Å; Y69-L75 VanDerWaalsContact OH-N 3.12Å; L75-A77 WeakPolarHBondContact CD1-O 3.45Å; L75-L78 HydrophobicContact CD2-CB 4.34Å; L75-A99 HydrophobicContact CD1-CB 3.71Å; L75-L101 HydrophobicContact CB-CD2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.38Å; L75-L120 HydrophobicContact CD2-CD1 3.94Å; L75-L120 HydrophobicContact CD2-CD2 3.94Å; L75-V155 HydrophobicContact CB-CG1 4.3Å; L75-V155 HydrophobicContact CD2-CG1 4.05Å; L75-V155 HydrophobicContact CG-CG1 4.05Å; L75-V155 WeakPolarHBondContact O-CG1 3.36Å; L75-H208 PolarHBondContact O-CE1 2.89Å; L75-H208 PolarHBondContact O-NE2 2.83Å |
| 76 | V | 95.1 | Very high | 88.8 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | -23.3 | 177.6 | -65.9 | 0 | 0 | 0 | 0 | 113.3 | Y38 A74 V100 A102 L329 L330 | Y38-V76 HydrophobicContact CE1-CG2 4.36Å; A74-V76 PolarHBondContact O-N 3Å; V76-V100 HydrophobicContact CG2-CB 4.18Å; V76-V100 HydrophobicContact CG2-CG1 4.04Å; V76-V100 VanDerWaalsContact CG2-O 3.22Å; V76-V100 WeakPolarHBondContact CG2-O 3.33Å; V76-V100 PolarHBondContact N-O 3.45Å; V76-A102 HydrophobicContact CB-CB 4.45Å; V76-A102 HydrophobicContact CG1-CB 3.61Å; V76-A102 HydrophobicContact CG2-CB 3.95Å; V76-L329 HydrophobicContact CG1-CD1 4.37Å; V76-L330 HydrophobicContact CG2-CB 4.38Å; V76-L330 HydrophobicContact CG2-CD2 4.17Å |
| 77 | A | 95.9 | Very high | 86.7 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 144.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L75 V100 L330 V333 | L75-A77 WeakPolarHBondContact CD1-O 3.45Å; A77-V100 HydrophobicContact CB-CB 4.25Å; A77-V100 HydrophobicContact CB-CG2 4.36Å; A77-V100 PolarHBondContact N-O 3.13Å; A77-V100 PolarHBondContact O-N 2.96Å; A77-L330 HydrophobicContact CB-CD2 3.76Å; A77-L330 HydrophobicContact CB-CG 4.39Å; A77-V333 HydrophobicContact CB-CG2 4.04Å |
| 78 | L | 96 | Very high | 84.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.9 | 169.9 | 179 | 71.1 | 0 | 0 | 0 | 107.9 | L61 L75 R98 A99 V158 F206 | L61-L78 HydrophobicContact CD1-CD1 3.77Å; L61-L78 HydrophobicContact CD1-CD2 3.55Å; L61-L78 HydrophobicContact CD1-CG 4.35Å; L75-L78 HydrophobicContact CD2-CB 4.34Å; L78-R98 WeakPolarHBondContact CA-O 3.45Å; L78-A99 HydrophobicContact CD1-CB 3.9Å; L78-V158 HydrophobicContact CB-CG2 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.81Å; L78-V158 HydrophobicContact CG-CG2 3.88Å; L78-V158 WeakPolarHBondContact O-CG2 3.35Å; L78-F206 HydrophobicContact CD2-CD2 3.91Å; L78-F206 HydrophobicContact CD2-CE1 4.03Å; L78-F206 HydrophobicContact CD2-CE2 3.37Å; L78-F206 HydrophobicContact CD2-CG 4.47Å; L78-F206 HydrophobicContact CD2-CZ 3.43Å; L78-F206 VanDerWaalsContact CD2-CZ 3.43Å |
| 79 | H | 93.8 | Very high | 82.8 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.8 | -179.4 | 64.8 | 88.5 | 0 | 0 | 0 | 111.4 | Y97 R98 Y316 P335 Q351 | H79-Y97 WeakPolarHBondContact O-CA 3.47Å; H79-R98 PolarHBondContact N-O 2.94Å; H79-R98 VanDerWaalsContact N-O 3.09Å; H79-R98 PolarHBondContact O-N 2.73Å; H79-Y316 AromaticContact NE2-CE1 3.91Å; H79-Y316 AromaticContact NE2-CZ 3.71Å; H79-Y316 PolarHBondContact NE2-OH 2.87Å; H79-P335 HydrophobicContact CB-CG 4.46Å; H79-Q351 PolarHBondContact CE1-NE2 2.97Å |
| 80 | P | 90.8 | Very high | 81.1 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 140.7 | 166.1 | 27.2 | -34.2 | 0 | 0 | 0 | 109.7 | L83 L96 Y97 P335 | P80-L83 HydrophobicContact CG-CD1 4.03Å; P80-L96 WeakPolarHBondContact CA-O 3.45Å; P80-Y97 HydrophobicContact CB-CD1 4.16Å; P80-Y97 HydrophobicContact CB-CE1 3.98Å; P80-P335 HydrophobicContact CG-CB 4.05Å; P80-P335 HydrophobicContact CG-CG 4.05Å |
| 81 | I | 88.9 | Confident | 79.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -71.6 | -50.4 | 174 | -60.5 | -175.6 | 0 | 0 | 0 | 108.5 | D42 L96 R98 T305 T307 V312 T349 Q351 | D42-I81 HydrophobicContact CB-CD1 4.25Å; I81-L96 HydrophobicContact CB-CB 4.15Å; I81-L96 HydrophobicContact CD1-CB 4.02Å; I81-L96 HydrophobicContact CG1-CB 4.23Å; I81-L96 PolarHBondContact N-O 3.13Å; I81-R98 HydrophobicContact CD1-CB 4.21Å; I81-R98 HydrophobicContact CG1-CB 3.87Å; I81-T305 HydrophobicContact CG2-CG2 4.19Å; I81-T307 HydrophobicContact CG2-CG2 4.23Å; I81-V312 HydrophobicContact CD1-CG2 4Å; I81-T349 VanDerWaalsContact O-CG2 3.3Å; I81-T349 WeakPolarHBondContact O-CG2 3.26Å; I81-Q351 PolarHBondContact O-NE2 3.23Å; I81-Q351 VanDerWaalsContact O-NE2 3.13Å |
| 82 | I | 85.6 | Confident | 78.1 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -110.7 | 123.8 | 175.8 | -53.7 | -162.5 | 0 | 0 | 0 | 109.5 | F93 I339 L347 T349 | I82-F93 HydrophobicContact CD1-CB 3.73Å; I82-F93 HydrophobicContact CD1-CD2 4.08Å; I82-F93 HydrophobicContact CD1-CG 4.37Å; I82-F93 HydrophobicContact CG1-CB 4.24Å; I82-I339 HydrophobicContact CG2-CD1 3.81Å; I82-I339 HydrophobicContact CG2-CG1 4.5Å; I82-L347 HydrophobicContact CD1-CB 4.4Å; I82-L347 HydrophobicContact CD1-CD1 4.16Å; I82-T349 HydrophobicContact CG1-CG2 4.41Å |
| 83 | L | 83.9 | Confident | 76.8 | Confident | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | trans | -100.7 | 101.9 | 175 | -173.1 | 73 | 0 | 0 | 0 | 110.5 | P80 W268 P335 P337 | P80-L83 HydrophobicContact CG-CD1 4.03Å; L83-W268 HydrophobicContact CD2-CD2 4.2Å; L83-W268 HydrophobicContact CD2-CG 3.81Å; L83-W268 VanDerWaalsContact CD2-NE1 3.33Å; L83-P335 HydrophobicContact CB-CB 4.43Å; L83-P335 HydrophobicContact CD2-CB 4.47Å; L83-P337 HydrophobicContact CD2-CB 4.33Å; L83-P337 WeakPolarHBondContact O-CA 3.39Å | ||
| 84 | S | 74.1 | Confident | 75.5 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -93.8 | 132.9 | -178.2 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | L91 | S84-L91 WeakPolarHBondContact OG-CD1 3.08Š| ||
| 85 | L | 71 | Confident | 74.9 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 19% | 0.188 | 22% | 0.215 | C | C | . | . | trans | -108.4 | 149.1 | 179.3 | -54 | -173.5 | 0 | 0 | 0 | 113.8 | S88 V240 W268 V276 P337 | L85-S88 WeakPolarHBondContact O-CB 3.21Å; L85-S88 PolarHBondContact O-N 3.24Å; L85-V240 HydrophobicContact CD1-CG2 4.42Å; L85-W268 HydrophobicContact CD1-CB 3.96Å; L85-W268 HydrophobicContact CD2-CB 3.18Å; L85-W268 HydrophobicContact CD2-CG 4.17Å; L85-W268 HydrophobicContact CG-CB 4.2Å; L85-V276 HydrophobicContact CD1-CG2 3.9Å; L85-P337 HydrophobicContact CD1-CB 3.37Å; L85-P337 HydrophobicContact CD1-CG 3.74Å; L85-P337 HydrophobicContact CD2-CB 4.08Å; L85-P337 HydrophobicContact CG-CB 3.53Å; L85-P337 HydrophobicContact CG-CG 4.41Å | ||
| 86 | G | 60.9 | Low | 74.5 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | 59.1 | -138.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | S88 R89 D269 | G86-S88 PolarHBondContact O-N 3.43Å; G86-R89 WeakPolarHBondContact O-CD 3.22Å; G86-R89 WeakPolarHBondContact O-CG 3.41Å; G86-R89 PolarHBondContact O-N 3.41Å; G86-D269 PolarHBondContact N-OD1 3.13Å |
| 87 | R | 49.4 | Very low | 74.3 | Confident | 261 Ų | 261 | 38.5 Ų | 38.5 | 99% | 0.985 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -66.2 | -5.2 | 179.6 | -71.7 | -175 | 176.5 | -175.3 | -0.6 | 114.2 | R89 | R87-R89 VanDerWaalsContact C-N 3.32Š|
| 88 | S | 49.8 | Very low | 74.2 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 39% | 0.385 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -91.9 | 14.4 | 177 | -159.2 | 0 | 0 | 0 | 0 | 113.1 | L85 G86 S90 L91 | L85-S88 WeakPolarHBondContact O-CB 3.21Å; L85-S88 PolarHBondContact O-N 3.24Å; G86-S88 PolarHBondContact O-N 3.43Å; S88-S90 PolarHBondContact O-N 2.92Å; S88-L91 WeakPolarHBondContact O-CG 2.85Å; S88-L91 PolarHBondContact O-N 3.34Å; S88-L91 VanDerWaalsContact O-N 3.13Å; S88-L91 WeakPolarHBondContact OG-CD1 3.4Å; S88-L91 WeakPolarHBondContact OG-CG 3.23Å |
| 89 | R | 56.1 | Low | 74.3 | Confident | 73 Ų | 73 | 37.1 Ų | 37.1 | 28% | 0.275 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -17.2 | 177.6 | -81.7 | 166 | -176.9 | -154.9 | 3.5 | 114.6 | G86 R87 S94 D200 D269 | G86-R89 WeakPolarHBondContact O-CD 3.22Å; G86-R89 WeakPolarHBondContact O-CG 3.41Å; G86-R89 PolarHBondContact O-N 3.41Å; R87-R89 VanDerWaalsContact C-N 3.32Å; R89-S94 PolarHBondContact O-OG 2.9Å; R89-D200 IonicContact NH1-OD2 3.29Å; R89-D200 PolarHBondContact NH1-OD2 3.3Å; R89-D269 IonicContact CZ-OD2 3.56Å; R89-D269 IonicContact NE-OD2 2.89Å; R89-D269 IonicContact NH2-OD2 2.7Å; R89-D269 PolarHBondContact NH2-OD2 3.23Å |
| 90 | S | 56.8 | Low | 74.4 | Confident | 109 Ų | 109 | 37 Ų | 37 | 76% | 0.762 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95 | 22 | 177.6 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | S88 | S88-S90 PolarHBondContact O-N 2.92Š|
| 91 | L | 60.6 | Low | 74.7 | Confident | 39 Ų | 39 | 36.3 Ų | 36.3 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | trans | -61.4 | 138.4 | 171.1 | -77.7 | 166.5 | 0 | 0 | 0 | 108.9 | S84 S88 F93 S94 I339 | S84-L91 WeakPolarHBondContact OG-CD1 3.08Å; S88-L91 WeakPolarHBondContact O-CG 2.85Å; S88-L91 PolarHBondContact O-N 3.34Å; S88-L91 VanDerWaalsContact O-N 3.13Å; S88-L91 WeakPolarHBondContact OG-CD1 3.4Å; S88-L91 WeakPolarHBondContact OG-CG 3.23Å; L91-F93 PolarHBondContact O-N 3.47Å; L91-S94 PolarHBondContact O-N 3.11Å; L91-S94 PolarHBondContact O-OG 2.96Å; L91-I339 HydrophobicContact CD1-CD1 3.57Å | ||
| 92 | P | 57.5 | Low | 75 | Confident | 69 Ų | 69 | 36.6 Ų | 36.6 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 139.8 | 169 | 27.7 | -33.7 | 0 | 0 | 0 | 107.7 | S94 L347 | P92-S94 PolarHBondContact O-N 3.2Å; P92-L347 HydrophobicContact CG-CD1 4.16Å |
| 93 | F | 62.2 | Low | 75.3 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 10% | 0.096 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 7.3 | 177.5 | -34 | -57.7 | 0 | 0 | 0 | 116.8 | I82 L91 L95 L96 G309 L347 | I82-F93 HydrophobicContact CD1-CB 3.73Å; I82-F93 HydrophobicContact CD1-CD2 4.08Å; I82-F93 HydrophobicContact CD1-CG 4.37Å; I82-F93 HydrophobicContact CG1-CB 4.24Å; L91-F93 PolarHBondContact O-N 3.47Å; F93-L95 PolarHBondContact O-N 2.99Å; F93-L95 VanDerWaalsContact O-N 3.07Å; F93-L96 HydrophobicContact CB-CB 4.45Å; F93-L96 HydrophobicContact CB-CD1 3.66Å; F93-L96 HydrophobicContact CB-CG 3.79Å; F93-L96 HydrophobicContact CD1-CD1 3.86Å; F93-L96 HydrophobicContact CD1-CG 4.34Å; F93-L96 HydrophobicContact CG-CD1 4.04Å; F93-L96 WeakPolarHBondContact O-CB 3.5Å; F93-L96 PolarHBondContact O-N 2.83Å; F93-G309 WeakPolarHBondContact CE1-O 3.3Å; F93-G309 WeakPolarHBondContact CE2-O 3.2Å; F93-G309 WeakPolarHBondContact CZ-O 3.42Å; F93-L347 HydrophobicContact CD2-CD1 3.77Å; F93-L347 HydrophobicContact CE2-CD1 3.95Å |
| 94 | S | 67.3 | Low | 75.6 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -18.5 | 172.4 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | R89 L91 P92 | R89-S94 PolarHBondContact O-OG 2.9Å; L91-S94 PolarHBondContact O-N 3.11Å; L91-S94 PolarHBondContact O-OG 2.96Å; P92-S94 PolarHBondContact O-N 3.2Å |
| 95 | L | 80.9 | Confident | 76.2 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 21.4 | 177.2 | -60 | -169.3 | 0 | 0 | 0 | 113.6 | L45 E46 F93 Y97 Q161 | L45-L95 HydrophobicContact CB-CB 4.05Å; L45-L95 HydrophobicContact CB-CD1 4.29Å; L45-L95 HydrophobicContact CG-CB 4.47Å; L45-L95 PolarHBondContact N-O 2.64Å; L45-L95 VanDerWaalsContact N-O 3.11Å; E46-L95 HydrophobicContact CG-CB 3.79Å; E46-L95 HydrophobicContact CG-CD1 3.34Å; E46-L95 HydrophobicContact CG-CG 3.92Å; E46-L95 WeakPolarHBondContact OE1-CD1 3.43Å; F93-L95 PolarHBondContact O-N 2.99Å; F93-L95 VanDerWaalsContact O-N 3.07Å; L95-Y97 WeakPolarHBondContact O-CD2 3.27Å; L95-Q161 HydrophobicContact CD2-CB 3.88Å; L95-Q161 HydrophobicContact CD2-CG 4.44Å |
| 96 | L | 87.9 | Confident | 76.2 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 131.3 | 166.8 | -65.3 | -169.6 | 0 | 0 | 0 | 111.1 | F43 I52 P80 I81 F93 | F43-L96 CarbonylContact O-C 3.59Å; F43-L96 VanDerWaalsContact O-CA 3.3Å; F43-L96 WeakPolarHBondContact O-CA 3.42Å; I52-L96 HydrophobicContact CD1-CD1 3.86Å; I52-L96 HydrophobicContact CD1-CD2 3.75Å; I52-L96 HydrophobicContact CD1-CG 4.5Å; I52-L96 HydrophobicContact CG2-CD2 4.2Å; P80-L96 WeakPolarHBondContact CA-O 3.45Å; I81-L96 HydrophobicContact CB-CB 4.15Å; I81-L96 HydrophobicContact CD1-CB 4.02Å; I81-L96 HydrophobicContact CG1-CB 4.23Å; I81-L96 PolarHBondContact N-O 3.13Å; F93-L96 HydrophobicContact CB-CB 4.45Å; F93-L96 HydrophobicContact CB-CD1 3.66Å; F93-L96 HydrophobicContact CB-CG 3.79Å; F93-L96 HydrophobicContact CD1-CD1 3.86Å; F93-L96 HydrophobicContact CD1-CG 4.34Å; F93-L96 HydrophobicContact CG-CD1 4.04Å; F93-L96 WeakPolarHBondContact O-CB 3.5Å; F93-L96 PolarHBondContact O-N 2.83Å |
| 97 | Y | 91.9 | Very high | 76.3 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.2 | 178.3 | -65.8 | -96.6 | 0 | 0 | 0 | 109.9 | D42 F43 L45 L58 H79 P80 L95 V158 | D42-Y97 CarbonylContact C-O 3.6Å; D42-Y97 WeakPolarHBondContact CA-O 3.39Å; F43-Y97 PolarHBondContact N-O 3.31Å; F43-Y97 PolarHBondContact O-N 2.86Å; L45-Y97 HydrophobicContact CD1-CD2 4.2Å; L45-Y97 HydrophobicContact CD1-CE2 3.55Å; L45-Y97 HydrophobicContact CG-CD2 4.15Å; L45-Y97 HydrophobicContact CG-CE2 3.93Å; L58-Y97 HydrophobicContact CD1-CD1 3.82Å; L58-Y97 HydrophobicContact CD1-CD2 4.43Å; L58-Y97 HydrophobicContact CD1-CE1 3.7Å; L58-Y97 HydrophobicContact CD1-CE2 4.34Å; L58-Y97 HydrophobicContact CD1-CG 4.2Å; L58-Y97 HydrophobicContact CD2-CD1 4.25Å; L58-Y97 HydrophobicContact CD2-CD2 3.93Å; L58-Y97 HydrophobicContact CD2-CE2 4.47Å; L58-Y97 HydrophobicContact CD2-CG 3.81Å; H79-Y97 WeakPolarHBondContact O-CA 3.47Å; P80-Y97 HydrophobicContact CB-CD1 4.16Å; P80-Y97 HydrophobicContact CB-CE1 3.98Å; L95-Y97 WeakPolarHBondContact O-CD2 3.27Å; Y97-V158 HydrophobicContact CD1-CG1 4.06Å; Y97-V158 HydrophobicContact CE1-CG1 3.62Å |
| 98 | R | 93.9 | Very high | 76.5 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.011 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.3 | 174.9 | 175.4 | 162.4 | -70.1 | -178.1 | -11 | 110.1 | L41 D42 L78 H79 I81 V100 D315 Y316 | L41-R98 WeakPolarHBondContact O-CA 3.5Å; D42-R98 IonicContact OD1-CZ 2.63Å; D42-R98 IonicContact OD1-NE 3.75Å; D42-R98 PolarHBondContact OD1-NE 3.35Å; D42-R98 IonicContact OD1-NH2 2.96Å; D42-R98 PolarHBondContact OD1-NH2 3.33Å; D42-R98 IonicContact OD2-CZ 3.6Å; D42-R98 IonicContact OD2-NE 2.64Å; D42-R98 IonicContact OD2-NH2 3.13Å; D42-R98 PolarHBondContact OD2-NH2 3.32Å; L78-R98 WeakPolarHBondContact CA-O 3.45Å; H79-R98 PolarHBondContact N-O 2.94Å; H79-R98 VanDerWaalsContact N-O 3.09Å; H79-R98 PolarHBondContact O-N 2.73Å; I81-R98 HydrophobicContact CD1-CB 4.21Å; I81-R98 HydrophobicContact CG1-CB 3.87Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-D315 IonicContact CZ-OD2 2.93Å; R98-D315 VanDerWaalsContact NH1-CB 3.31Å; R98-D315 VanDerWaalsContact NH1-CG 3.3Å; R98-D315 IonicContact NH1-OD2 3.7Å; R98-D315 PolarHBondContact NH1-OD2 2.75Å; R98-D315 IonicContact NH2-OD2 3.77Å; R98-D315 PolarHBondContact NH2-OD2 2.74Å; R98-Y316 WeakPolarHBondContact CD-OH 3.43Å |
| 99 | A | 96.1 | Very high | 76.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L41 F43 L75 L78 | L41-A99 PolarHBondContact N-O 2.98Å; L41-A99 PolarHBondContact O-N 3.35Å; F43-A99 HydrophobicContact CD2-CB 4.2Å; F43-A99 HydrophobicContact CE2-CB 3.64Å; L75-A99 HydrophobicContact CD1-CB 3.71Å; L78-A99 HydrophobicContact CD1-CB 3.9Å |
| 100 | V | 97.1 | Very high | 75.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.7 | 173 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | Y38 L40 V76 A77 R98 Y316 L320 L330 | Y38-V100 HydrophobicContact CD1-CG1 3.85Å; Y38-V100 HydrophobicContact CE1-CG1 4.41Å; L40-V100 HydrophobicContact CD1-CG1 4.32Å; L40-V100 HydrophobicContact CG-CG1 4.36Å; L40-V100 HydrophobicContact CG-CG2 4.33Å; V76-V100 HydrophobicContact CG2-CB 4.18Å; V76-V100 HydrophobicContact CG2-CG1 4.04Å; V76-V100 VanDerWaalsContact CG2-O 3.22Å; V76-V100 WeakPolarHBondContact CG2-O 3.33Å; V76-V100 PolarHBondContact N-O 3.45Å; A77-V100 HydrophobicContact CB-CB 4.25Å; A77-V100 HydrophobicContact CB-CG2 4.36Å; A77-V100 PolarHBondContact N-O 3.13Å; A77-V100 PolarHBondContact O-N 2.96Å; R98-V100 HydrophobicContact CG-CG2 4Å; V100-Y316 HydrophobicContact CG2-CE2 4.19Å; V100-Y316 VanDerWaalsContact CG2-OH 3.24Å; V100-Y316 WeakPolarHBondContact CG2-OH 3.47Å; V100-L320 HydrophobicContact CG1-CD1 4.28Å; V100-L330 HydrophobicContact CB-CD2 3.8Å; V100-L330 HydrophobicContact CG1-CD2 3.63Å; V100-L330 HydrophobicContact CG2-CD2 3.95Å |
| 101 | L | 96.7 | Very high | 75.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.9 | 176.4 | -66.6 | 167.5 | 0 | 0 | 0 | 109.4 | Y38 V39 L41 L65 F68 Y69 Y73 A74 L75 | Y38-L101 CarbonylContact C-O 3.51Å; Y38-L101 VanDerWaalsContact CA-O 3.32Å; Y38-L101 WeakPolarHBondContact CA-O 3.21Å; V39-L101 HydrophobicContact CB-CB 4.28Å; V39-L101 HydrophobicContact CB-CD1 4.42Å; V39-L101 PolarHBondContact N-O 2.83Å; V39-L101 PolarHBondContact O-N 2.93Å; L41-L101 HydrophobicContact CD1-CD1 3.55Å; L41-L101 HydrophobicContact CG-CD1 4.35Å; L65-L101 HydrophobicContact CD1-CD2 4.43Å; L65-L101 HydrophobicContact CD2-CD1 4.19Å; F68-L101 HydrophobicContact CB-CD1 3.58Å; F68-L101 HydrophobicContact CD1-CD1 3.84Å; F68-L101 HydrophobicContact CD2-CD1 4.05Å; F68-L101 HydrophobicContact CG-CD1 3.55Å; Y69-L101 HydrophobicContact CE2-CD2 4.3Å; Y73-L101 HydrophobicContact CD1-CB 4.18Å; Y73-L101 HydrophobicContact CG-CB 4.5Å; A74-L101 CarbonylContact O-C 3.47Å; A74-L101 WeakPolarHBondContact O-CA 3.47Å; L75-L101 HydrophobicContact CB-CD2 4.2Å; L75-L101 HydrophobicContact CD1-CD2 4.38Å |
| 102 | A | 95.1 | Very high | 74.4 | Confident | 7 Ų | 7 | 58 Ų | 58 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | D37 Y38 A74 V76 L329 | D37-A102 CarbonylContact O-C 3.58Å; D37-A102 WeakPolarHBondContact O-CA 3.43Å; Y38-A102 HydrophobicContact CD1-CB 3.86Å; Y38-A102 HydrophobicContact CE1-CB 3.6Å; A74-A102 PolarHBondContact N-O 3.28Å; A74-A102 PolarHBondContact O-N 2.85Å; V76-A102 HydrophobicContact CB-CB 4.45Å; V76-A102 HydrophobicContact CG1-CB 3.61Å; V76-A102 HydrophobicContact CG2-CB 3.95Å; A102-L329 HydrophobicContact CB-CD1 4.05Å |
| 103 | R | 92.7 | Very high | 73.8 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 22% | 0.219 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.6 | 171.3 | -180 | 178.1 | 70.2 | -166.3 | -5.5 | 109.8 | Y36 D37 Q71 G72 Y73 R105 | Y36-R103 CarbonylContact C-O 3.58Å; Y36-R103 WeakPolarHBondContact CA-O 3.15Å; D37-R103 PolarHBondContact N-O 3.01Å; D37-R103 PolarHBondContact O-N 3.27Å; D37-R103 IonicContact OD2-CZ 2.99Å; D37-R103 IonicContact OD2-NE 2.91Å; D37-R103 IonicContact OD2-NH2 2.74Å; D37-R103 PolarHBondContact OD2-NH2 3.35Å; Q71-R103 WeakPolarHBondContact O-CD 3.37Å; Q71-R103 PolarHBondContact O-NH1 3.07Å; G72-R103 VanDerWaalsContact O-CG 3.27Å; G72-R103 WeakPolarHBondContact O-CG 3.38Å; Y73-R103 HydrophobicContact CD1-CB 3.55Å; Y73-R103 HydrophobicContact CD2-CB 4.45Å; Y73-R103 HydrophobicContact CE1-CB 3.73Å; Y73-R103 HydrophobicContact CG-CB 3.93Å; Y73-R103 PolarHBondContact OH-NH2 3.23Å; R103-R105 PolarHBondContact O-N 3.12Å |
| 104 | P | 89.6 | Confident | 72.8 | Confident | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126.8 | 166.8 | -14.8 | 27.2 | 0 | 0 | 0 | 110.2 | T34 V35 Y36 | T34-P104 HydrophobicContact CG2-CB 4.05Å; V35-P104 CarbonylContact O-C 3.56Å; V35-P104 WeakPolarHBondContact O-CA 3.24Å; Y36-P104 HydrophobicContact CD1-CB 4.43Å; Y36-P104 HydrophobicContact CD1-CG 4.35Å; Y36-P104 HydrophobicContact CE1-CB 4.2Å; Y36-P104 HydrophobicContact CE1-CG 3.94Å |
| 105 | R | 86.8 | Confident | 72.4 | Confident | 100 Ų | 100 | 69.2 Ų | 69.2 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 127.1 | 176.7 | -164.9 | 178.4 | -67 | 154.6 | 2.1 | 108.8 | V35 D37 R103 S107 E325 | V35-R105 HydrophobicContact CB-CB 4.36Å; V35-R105 VanDerWaalsContact CG1-CZ 3.47Å; V35-R105 PolarHBondContact O-N 3.37Å; D37-R105 IonicContact OD1-CZ 2.86Å; D37-R105 IonicContact OD1-NE 3.43Å; D37-R105 PolarHBondContact OD1-NE 3.11Å; D37-R105 IonicContact OD1-NH2 3.31Å; D37-R105 PolarHBondContact OD1-NH2 3.08Å; R103-R105 PolarHBondContact O-N 3.12Å; R105-S107 PolarHBondContact O-N 2.82Å; R105-E325 IonicContact CZ-OE1 2.81Å; R105-E325 VanDerWaalsContact CZ-OE1 3.29Å; R105-E325 IonicContact NH1-OE1 3.13Å; R105-E325 PolarHBondContact NH1-OE1 2.83Å; R105-E325 IonicContact NH1-OE2 3.85Å; R105-E325 PolarHBondContact NH1-OE2 3.37Å; R105-E325 VanDerWaalsContact NH1-OE2 3.08Å; R105-E325 IonicContact NH2-OE1 3.73Å; R105-E325 PolarHBondContact NH2-OE1 2.85Å |
| 106 | P | 70.8 | Confident | 71.8 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 124.8 | -178.1 | 23.1 | -31.9 | 0 | 0 | 0 | 110 | ||
| 107 | S | 63.5 | Low | 71.5 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 139.4 | 175 | -170 | 0 | 0 | 0 | 0 | 109.7 | R105 K109 | R105-S107 PolarHBondContact O-N 2.82Å; S107-K109 PolarHBondContact O-N 2.84Å |
| 108 | N | 54.4 | Low | 71.4 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 92% | 0.92 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -63.1 | -1.9 | 173.6 | -74.4 | -20.6 | 0 | 0 | 0 | 113.9 | ||
| 109 | K | 50.7 | Low | 71.3 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 63% | 0.63 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -78.5 | 122.1 | 173.8 | -65.9 | 179 | -176.8 | 170.2 | 0 | 108.5 | S107 A111 | S107-K109 PolarHBondContact O-N 2.84Å; K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.99Å |
| 110 | I | 42.6 | Very low | 71.2 | Confident | 178 Ų | 178 | 77.4 Ų | 77.4 | 91% | 0.913 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -57.1 | 88.2 | 176.8 | -57.5 | 160.4 | 0 | 0 | 0 | 109.4 | ||
| 111 | A | 42 | Very low | 71.1 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 66% | 0.661 | 48% | 0.475 | S | S | * | . | trans | -147.3 | 75 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | K109 T113 | K109-A111 VanDerWaalsContact C-N 3.29Å; K109-A111 PolarHBondContact O-N 2.99Å; A111-T113 PolarHBondContact O-N 2.84Å | ||
| 112 | S | 43.2 | Very low | 71.1 | Confident | 112 Ų | 112 | 85.9 Ų | 85.9 | 78% | 0.783 | 49% | 0.486 | S | S | * | . | trans | -69.5 | 84.1 | 164.1 | 174.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 113 | T | 43.9 | Very low | 71 | Confident | 99 Ų | 99 | 89 Ų | 89 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | trans | -87.7 | 92.9 | 147 | 22.9 | 0 | 0 | 0 | 0 | 106 | A111 H115 | A111-T113 PolarHBondContact O-N 2.84Å; T113-H115 WeakPolarHBondContact CB-NE2 3.48Å; T113-H115 PolarHBondContact O-CD2 2.98Å; T113-H115 PolarHBondContact O-N 2.82Å; T113-H115 PolarHBondContact OG1-NE2 3.02Å | ||
| 114 | C | 42.6 | Very low | 71 | Confident | 118 Ų | 118 | 91.1 Ų | 91.1 | 80% | 0.797 | 51% | 0.512 | S | S | * | . | trans | -67.1 | 76 | 170 | -157.3 | 0 | 0 | 0 | 0 | 107.8 | S116 | C114-S116 PolarHBondContact O-N 3.28Š| ||
| 115 | H | 57.6 | Low | 71.1 | Confident | 115 Ų | 115 | 88 Ų | 88 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -67 | 121.8 | 166.9 | -61.1 | -61.4 | 0 | 0 | 0 | 105.9 | T113 A117 | T113-H115 WeakPolarHBondContact CB-NE2 3.48Å; T113-H115 PolarHBondContact O-CD2 2.98Å; T113-H115 PolarHBondContact O-N 2.82Å; T113-H115 PolarHBondContact OG1-NE2 3.02Å; H115-A117 PolarHBondContact O-N 3.22Å |
| 116 | S | 69.1 | Low | 70.9 | Confident | 32 Ų | 32 | 87.9 Ų | 87.9 | 22% | 0.224 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -55 | 133.1 | 172.9 | 61.1 | 0 | 0 | 0 | 0 | 108 | C114 W210 C214 | C114-S116 PolarHBondContact O-N 3.28Å; S116-W210 VanDerWaalsContact O-CD1 3.24Å; S116-W210 PolarHBondContact O-NE1 3.47Å; S116-C214 WeakPolarHBondContact OG-CB 3.11Å; S116-C214 PolarHBondContact OG-O 3.34Å |
| 117 | A | 80.9 | Confident | 71.3 | Confident | 42 Ų | 42 | 85.3 Ų | 85.3 | 35% | 0.347 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 135.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y69 H115 | Y69-A117 WeakPolarHBondContact O-CB 3.36Å; H115-A117 PolarHBondContact O-N 3.22Å |
| 118 | P | 89.8 | Confident | 71.5 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 14% | 0.143 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -60 | 161.8 | 172.7 | 19.2 | -25.9 | 0 | 0 | 0 | 111.2 | Y69 A74 H208 S209 W210 | Y69-P118 HydrophobicContact CD1-CG 4.13Å; Y69-P118 WeakPolarHBondContact CD1-O 3.37Å; Y69-P118 HydrophobicContact CE1-CB 4.25Å; Y69-P118 HydrophobicContact CE1-CG 3.92Å; A74-P118 HydrophobicContact CB-CG 4.23Å; P118-H208 HydrophobicContact CB-CB 3.71Å; P118-S209 CarbonylContact C-O 3.48Å; P118-S209 WeakPolarHBondContact CA-O 3.35Å; P118-W210 HydrophobicContact CB-CD2 4.38Å; P118-W210 HydrophobicContact CB-CH2 4.47Å; P118-W210 HydrophobicContact CB-CZ2 3.74Å; P118-W210 HydrophobicContact CG-CZ2 4.16Å |
| 119 | V | 91.5 | Very high | 72.3 | Confident | 82 Ų | 82 | 76 Ų | 76 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.1 | 167.7 | -179 | 0 | 0 | 0 | 0 | 107.7 | S209 | V119-S209 PolarHBondContact N-O 3.36Å; V119-S209 PolarHBondContact O-N 3.29Å; V119-S209 PolarHBondContact O-OG 3.02Å |
| 120 | L | 95.8 | Very high | 73 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 133.4 | 174.9 | -170.8 | 63 | 0 | 0 | 0 | 110.3 | L61 P62 L65 Y69 L75 F206 F207 | L61-L120 HydrophobicContact CB-CD2 4.44Å; P62-L120 HydrophobicContact CB-CB 4.38Å; P62-L120 WeakPolarHBondContact CB-O 3.44Å; P62-L120 HydrophobicContact CG-CB 4.47Å; P62-L120 HydrophobicContact CG-CD2 4.37Å; P62-L120 HydrophobicContact CG-CG 4.24Å; L65-L120 HydrophobicContact CD1-CD2 3.81Å; Y69-L120 HydrophobicContact CE2-CB 4.08Å; L75-L120 HydrophobicContact CD2-CD1 3.94Å; L75-L120 HydrophobicContact CD2-CD2 3.94Å; L120-F206 HydrophobicContact CD1-CB 4.12Å; L120-F206 HydrophobicContact CD1-CD1 4.14Å; L120-F206 HydrophobicContact CD2-CD1 4.22Å; L120-F206 HydrophobicContact CG-CD1 4.29Å; L120-F207 CarbonylContact C-O 3.58Å; L120-F207 WeakPolarHBondContact CA-O 3.24Å |
| 121 | R | 94.4 | Very high | 74.4 | Confident | 142 Ų | 142 | 67.8 Ų | 67.8 | 54% | 0.536 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.8 | 170.1 | -63.1 | -166.6 | -175.4 | -167.1 | 1.5 | 109.1 | F206 F207 S209 | R121-F206 CarbonylContact O-C 3.59Å; R121-F206 WeakPolarHBondContact O-CA 3.33Å; R121-F207 PolarHBondContact N-O 3.35Å; R121-F207 PolarHBondContact O-N 2.89Å; R121-S209 WeakPolarHBondContact CG-OG 3.38Å; R121-S209 PolarHBondContact NE-OG 3.36Å |
| 122 | V | 95.9 | Very high | 76.2 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.5 | 179.2 | 61 | 0 | 0 | 0 | 0 | 108.6 | C59 P62 L204 V205 F206 | C59-V122 HydrophobicContact CB-CG1 4.2Å; P62-V122 HydrophobicContact CG-CB 4.35Å; P62-V122 HydrophobicContact CG-CG1 3.92Å; V122-L204 HydrophobicContact CG2-CB 4.31Å; V122-L204 HydrophobicContact CG2-CD2 4.49Å; V122-V205 CarbonylContact C-O 3.48Å; V122-V205 WeakPolarHBondContact CA-O 3.47Å; V122-F206 HydrophobicContact CB-CD1 4.06Å; V122-F206 HydrophobicContact CB-CE1 3.88Å; V122-F206 HydrophobicContact CG2-CD1 4.07Å; V122-F206 HydrophobicContact CG2-CE1 3.6Å; V122-F206 HydrophobicContact CG2-CE2 4.39Å; V122-F206 HydrophobicContact CG2-CZ 3.77Å |
| 123 | E | 94.3 | Very high | 78.2 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.3 | 176.1 | -65.4 | -173.5 | -174.2 | 0 | 0 | 110.1 | W125 L204 V205 F207 | E123-W125 PolarHBondContact OE2-NE1 2.94Å; E123-L204 WeakPolarHBondContact O-CA 3.46Å; E123-V205 PolarHBondContact N-O 3.12Å; E123-V205 PolarHBondContact O-N 2.88Å; E123-F207 HydrophobicContact CB-CE2 4.5Å; E123-F207 HydrophobicContact CG-CD2 4.42Å; E123-F207 HydrophobicContact CG-CE2 4.32Å |
| 124 | E | 92.4 | Very high | 80.3 | Confident | 104 Ų | 104 | 62.3 Ų | 62.3 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.6 | 170.6 | -172.7 | 174.1 | 157.2 | 0 | 0 | 108.9 | K202 L204 | E124-K202 VanDerWaalsContact CD-NZ 3.33Å; E124-K202 VanDerWaalsContact OE1-CD 3.32Å; E124-K202 WeakPolarHBondContact OE1-CD 3.28Å; E124-K202 WeakPolarHBondContact OE1-CE 3.36Å; E124-K202 IonicContact OE1-NZ 3.97Å; E124-K202 PolarHBondContact OE1-NZ 3.34Å; E124-K202 IonicContact OE2-NZ 3.76Å; E124-K202 PolarHBondContact OE2-NZ 2.9Å; E124-L204 HydrophobicContact CB-CD2 4.01Å; E124-L204 HydrophobicContact CG-CD2 4.18Å |
| 125 | W | 90.6 | Very high | 82.5 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 3% | 0.034 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.5 | 179.4 | -74.7 | 19.7 | 0 | 0 | 0 | 110 | E123 L127 L140 R143 V144 L203 V205 F207 | E123-W125 PolarHBondContact OE2-NE1 2.94Å; W125-L127 PolarHBondContact O-N 3.28Å; W125-L140 HydrophobicContact CE3-CD2 3.76Å; W125-L140 HydrophobicContact CZ3-CD2 4.06Å; W125-R143 VanDerWaalsContact CD1-CZ 3.43Å; W125-R143 VanDerWaalsContact CD1-NH2 3.26Å; W125-R143 HydrophobicContact CE3-CG 4.41Å; W125-R143 HydrophobicContact CH2-CB 3.66Å; W125-R143 HydrophobicContact CH2-CG 3.43Å; W125-R143 VanDerWaalsContact CH2-CG 3.43Å; W125-R143 HydrophobicContact CZ2-CB 4.31Å; W125-R143 HydrophobicContact CZ2-CG 3.56Å; W125-R143 HydrophobicContact CZ3-CB 3.83Å; W125-R143 HydrophobicContact CZ3-CG 3.89Å; W125-V144 HydrophobicContact CH2-CB 4.45Å; W125-V144 HydrophobicContact CH2-CG2 3.64Å; W125-V144 HydrophobicContact CZ3-CG2 3.88Å; W125-L203 HydrophobicContact CB-CD2 4.17Å; W125-L203 HydrophobicContact CB-CG 4.42Å; W125-L203 PolarHBondContact N-O 2.8Å; W125-V205 HydrophobicContact CB-CG2 4.19Å; W125-V205 HydrophobicContact CD2-CB 4.27Å; W125-V205 HydrophobicContact CD2-CG2 3.61Å; W125-V205 HydrophobicContact CE3-CG2 3.8Å; W125-V205 HydrophobicContact CG-CB 4.5Å; W125-V205 HydrophobicContact CG-CG2 3.8Å; W125-V205 HydrophobicContact CZ2-CG1 4.38Å; W125-V205 HydrophobicContact CZ3-CG2 4.38Å; W125-F207 HydrophobicContact CH2-CZ 4.08Å; W125-F207 HydrophobicContact CZ2-CE2 4.03Å; W125-F207 AromaticContact CZ2-CZ 3.63Å; W125-F207 HydrophobicContact CZ2-CZ 3.63Å |
| 126 | P | 83.8 | Confident | 84 | Confident | 97 Ų | 97 | 57.9 Ų | 57.9 | 63% | 0.63 | 33% | 0.334 | S | S | * | . | trans | -61.4 | 138.6 | 173.6 | 27.6 | -32.5 | 0 | 0 | 0 | 109.1 | R143 | P126-R143 VanDerWaalsContact CD-NH1 3.35Š| ||
| 127 | L | 78.8 | Confident | 85 | Confident | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | trans | -60.6 | 136 | 174.1 | -70 | 170.2 | 0 | 0 | 0 | 109.2 | W125 G129 L159 L201 L203 | W125-L127 PolarHBondContact O-N 3.28Å; L127-G129 PolarHBondContact O-N 2.84Å; L127-L159 HydrophobicContact CD2-CD2 3.34Å; L127-L201 HydrophobicContact CD1-CB 3.9Å; L127-L201 VanDerWaalsContact CD1-O 3.3Å; L127-L201 WeakPolarHBondContact CD1-O 3.37Å; L127-L201 HydrophobicContact CD2-CB 4.45Å; L127-L203 HydrophobicContact CD2-CB 3.94Å | ||
| 128 | P | 67.9 | Low | 85.6 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -65.5 | 25.8 | 174.9 | 20.8 | -30.7 | 0 | 0 | 0 | 115.7 | T136 L140 F265 Y267 | P128-T136 HydrophobicContact CB-CG2 4.07Å; P128-T136 WeakPolarHBondContact O-CG2 3.19Å; P128-L140 HydrophobicContact CB-CD1 4.29Å; P128-L140 HydrophobicContact CG-CD1 3.94Å; P128-F265 HydrophobicContact CG-CZ 4.49Å; P128-Y267 WeakPolarHBondContact CD-OH 3.27Å; P128-Y267 HydrophobicContact CG-CE2 3.89Å; P128-Y267 WeakPolarHBondContact CG-OH 3.43Å | ||
| 129 | G | 69.6 | Low | 85.7 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | trans | 77.1 | -163.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L127 S131 Y267 | L127-G129 PolarHBondContact O-N 2.84Å; G129-S131 VanDerWaalsContact C-N 3.28Å; G129-S131 PolarHBondContact O-N 3.27Å; G129-Y267 PolarHBondContact O-OH 3.38Å | ||
| 130 | D | 66.7 | Low | 85.7 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -81.7 | -2.8 | -174.4 | -62.6 | -25 | 0 | 0 | 0 | 113.8 | P271 | D130-P271 HydrophobicContact CB-CG 4.43Š|
| 131 | S | 72.1 | Confident | 85.7 | Confident | 64 Ų | 64 | 60 Ų | 60 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -153.6 | 150.6 | -178.2 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | G129 T133 | G129-S131 VanDerWaalsContact C-N 3.28Å; G129-S131 PolarHBondContact O-N 3.27Å; S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 PolarHBondContact O-N 3.35Å |
| 132 | L | 80.1 | Confident | 85.7 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | trans | -78.1 | 74.8 | 174.2 | -71.7 | 167.7 | 0 | 0 | 0 | 111 | V137 F265 Y267 L283 | L132-V137 HydrophobicContact CB-CG2 3.93Å; L132-V137 HydrophobicContact CD2-CG2 4Å; L132-V137 HydrophobicContact CG-CG2 4.5Å; L132-F265 HydrophobicContact CD1-CD1 3.85Å; L132-F265 HydrophobicContact CD1-CE1 4.22Å; L132-F265 HydrophobicContact CD2-CD1 3.61Å; L132-F265 HydrophobicContact CD2-CE1 3.55Å; L132-F265 HydrophobicContact CG-CD1 4.16Å; L132-F265 HydrophobicContact CG-CE1 4.11Å; L132-Y267 HydrophobicContact CD2-CD2 4.29Å; L132-Y267 HydrophobicContact CD2-CE2 4.14Å; L132-Y267 HydrophobicContact CG-CD2 3.86Å; L132-Y267 HydrophobicContact CG-CE2 4.21Å; L132-L283 HydrophobicContact CD1-CB 4.17Å | ||
| 133 | T | 85.6 | Confident | 85.6 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | trans | -67.9 | 154.1 | 171.4 | 65.2 | 0 | 0 | 0 | 0 | 111 | S131 D135 T136 V137 | S131-T133 VanDerWaalsContact C-N 3.3Å; S131-T133 PolarHBondContact O-N 3.35Å; T133-D135 PolarHBondContact O-N 3.27Å; T133-D135 VanDerWaalsContact O-N 3.15Å; T133-T136 PolarHBondContact N-OG1 3.37Å; T133-T136 PolarHBondContact O-N 2.8Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-T136 PolarHBondContact O-OG1 3.42Å; T133-T136 WeakPolarHBondContact OG1-CB 3.45Å; T133-T136 WeakPolarHBondContact OG1-CG2 3.32Å; T133-T136 PolarHBondContact OG1-N 2.96Å; T133-T136 PolarHBondContact OG1-OG1 2.63Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.88Å | ||
| 134 | S | 86.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 51% | 0.51 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53.9 | -37.6 | 178.8 | -175 | 0 | 0 | 0 | 0 | 113 | R138 | S134-R138 WeakPolarHBondContact O-CB 3.33Å; S134-R138 PolarHBondContact O-N 2.51Å; S134-R138 PolarHBondContact OG-NH2 2.94Å |
| 135 | D | 89.4 | Confident | 85.7 | Confident | 107 Ų | 107 | 53.5 Ų | 53.5 | 57% | 0.572 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -72.9 | -36.9 | 179.6 | -62.5 | -36 | 0 | 0 | 0 | 112.7 | T133 R138 A139 | T133-D135 PolarHBondContact O-N 3.27Å; T133-D135 VanDerWaalsContact O-N 3.15Å; D135-R138 PolarHBondContact O-N 3.35Å; D135-R138 IonicContact OD1-CZ 2.86Å; D135-R138 IonicContact OD1-NH1 2.69Å; D135-R138 PolarHBondContact OD1-NH1 3.48Å; D135-R138 IonicContact OD1-NH2 3.51Å; D135-A139 WeakPolarHBondContact O-CB 3.37Å; D135-A139 PolarHBondContact O-N 2.92Å |
| 136 | T | 88.3 | Confident | 85.9 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 20% | 0.202 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -41.7 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | P128 T133 A139 L140 | P128-T136 HydrophobicContact CB-CG2 4.07Å; P128-T136 WeakPolarHBondContact O-CG2 3.19Å; T133-T136 PolarHBondContact N-OG1 3.37Å; T133-T136 PolarHBondContact O-N 2.8Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-T136 PolarHBondContact O-OG1 3.42Å; T133-T136 WeakPolarHBondContact OG1-CB 3.45Å; T133-T136 WeakPolarHBondContact OG1-CG2 3.32Å; T133-T136 PolarHBondContact OG1-N 2.96Å; T133-T136 PolarHBondContact OG1-OG1 2.63Å; T136-A139 PolarHBondContact O-N 3.49Å; T136-L140 WeakPolarHBondContact O-CG 3.05Å; T136-L140 PolarHBondContact O-N 2.74Å |
| 137 | V | 90.7 | Very high | 86.2 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 9% | 0.085 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 173.4 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | L132 T133 A139 L140 I141 Q226 L283 | L132-V137 HydrophobicContact CB-CG2 3.93Å; L132-V137 HydrophobicContact CD2-CG2 4Å; L132-V137 HydrophobicContact CG-CG2 4.5Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 2.88Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.36Å; V137-L140 PolarHBondContact O-N 2.94Å; V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 2.92Å; V137-Q226 HydrophobicContact CG1-CB 4.06Å; V137-L283 HydrophobicContact CG1-CD1 3.53Å; V137-L283 HydrophobicContact CG1-CD2 3.93Å; V137-L283 HydrophobicContact CG1-CG 4.32Å |
| 138 | R | 92.2 | Very high | 86.8 | Confident | 118 Ų | 118 | 50 Ų | 50 | 45% | 0.445 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 177.6 | -169.7 | -174.2 | -58.5 | 114.6 | 8 | 111.3 | S134 D135 L140 I141 D142 | S134-R138 WeakPolarHBondContact O-CB 3.33Å; S134-R138 PolarHBondContact O-N 2.51Å; S134-R138 PolarHBondContact OG-NH2 2.94Å; D135-R138 PolarHBondContact O-N 3.35Å; D135-R138 IonicContact OD1-CZ 2.86Å; D135-R138 IonicContact OD1-NH1 2.69Å; D135-R138 PolarHBondContact OD1-NH1 3.48Å; D135-R138 IonicContact OD1-NH2 3.51Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 2.88Å; R138-I141 PolarHBondContact O-N 2.85Å; R138-D142 WeakPolarHBondContact O-CB 3.28Å; R138-D142 VanDerWaalsContact O-CG 3.25Å; R138-D142 PolarHBondContact O-N 2.89Å |
| 139 | A | 92 | Very high | 87.7 | Confident | 59 Ų | 59 | 57.8 Ų | 57.8 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D135 T136 V137 R143 | D135-A139 WeakPolarHBondContact O-CB 3.37Å; D135-A139 PolarHBondContact O-N 2.92Å; T136-A139 PolarHBondContact O-N 3.49Å; V137-A139 VanDerWaalsContact C-N 3.34Å; V137-A139 PolarHBondContact O-N 3.36Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.49Å; A139-R143 PolarHBondContact O-N 3.08Å |
| 140 | L | 92.3 | Very high | 88.5 | Confident | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 174.8 | -76 | 173.4 | 0 | 0 | 0 | 111.3 | W125 P128 T136 V137 R138 R143 V144 L203 | W125-L140 HydrophobicContact CE3-CD2 3.76Å; W125-L140 HydrophobicContact CZ3-CD2 4.06Å; P128-L140 HydrophobicContact CB-CD1 4.29Å; P128-L140 HydrophobicContact CG-CD1 3.94Å; T136-L140 WeakPolarHBondContact O-CG 3.05Å; T136-L140 PolarHBondContact O-N 2.74Å; V137-L140 PolarHBondContact O-N 2.94Å; R138-L140 VanDerWaalsContact C-N 3.33Å; R138-L140 PolarHBondContact O-N 2.88Å; L140-R143 PolarHBondContact O-N 3.25Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.4Å; L140-L203 HydrophobicContact CD2-CD2 4.04Å |
| 141 | I | 94.9 | Very high | 89.4 | Confident | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -41.5 | -179.2 | -63.9 | -63 | 0 | 0 | 0 | 111.4 | V137 R138 R143 V144 N145 Y224 Q226 V285 | V137-I141 WeakPolarHBondContact O-CG1 3.48Å; V137-I141 PolarHBondContact O-N 2.92Å; R138-I141 PolarHBondContact O-N 2.85Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.91Å; I141-V144 PolarHBondContact O-N 2.92Å; I141-N145 WeakPolarHBondContact CG2-ND2 3.41Å; I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 3.15Å; I141-N145 PolarHBondContact O-ND2 3.3Å; I141-Y224 VanDerWaalsContact CG2-O 3.31Å; I141-Y224 WeakPolarHBondContact CG2-O 3.44Å; I141-Q226 HydrophobicContact CG1-CB 4.13Å; I141-V285 HydrophobicContact CD1-CG1 4.04Å; I141-V285 HydrophobicContact CD1-CG2 4.15Å |
| 142 | D | 94.9 | Very high | 90.3 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 175.6 | -76 | -19.9 | 0 | 0 | 0 | 111.4 | R138 S146 | R138-D142 WeakPolarHBondContact O-CB 3.28Å; R138-D142 VanDerWaalsContact O-CG 3.25Å; R138-D142 PolarHBondContact O-N 2.89Å; D142-S146 VanDerWaalsContact O-CB 3.31Å; D142-S146 WeakPolarHBondContact O-CB 3.2Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 3.47Å |
| 143 | R | 94.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 53 Ų | 53 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 175.5 | -167.4 | 176.8 | 175.5 | 176.1 | -3.3 | 111.7 | W125 P126 A139 L140 I141 N145 S146 S147 | W125-R143 VanDerWaalsContact CD1-CZ 3.43Å; W125-R143 VanDerWaalsContact CD1-NH2 3.26Å; W125-R143 HydrophobicContact CE3-CG 4.41Å; W125-R143 HydrophobicContact CH2-CB 3.66Å; W125-R143 HydrophobicContact CH2-CG 3.43Å; W125-R143 VanDerWaalsContact CH2-CG 3.43Å; W125-R143 HydrophobicContact CZ2-CB 4.31Å; W125-R143 HydrophobicContact CZ2-CG 3.56Å; W125-R143 HydrophobicContact CZ3-CB 3.83Å; W125-R143 HydrophobicContact CZ3-CG 3.89Å; P126-R143 VanDerWaalsContact CD-NH1 3.35Å; A139-R143 VanDerWaalsContact O-CB 3.31Å; A139-R143 WeakPolarHBondContact O-CB 3.49Å; A139-R143 PolarHBondContact O-N 3.08Å; L140-R143 PolarHBondContact O-N 3.25Å; I141-R143 VanDerWaalsContact C-N 3.26Å; I141-R143 PolarHBondContact O-N 2.91Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.04Å; R143-S146 WeakPolarHBondContact O-CB 3.24Å; R143-S146 PolarHBondContact O-N 3.04Å; R143-S146 VanDerWaalsContact O-N 3.13Å; R143-S147 PolarHBondContact O-N 3.23Å; R143-S147 PolarHBondContact O-OG 2.84Å |
| 144 | V | 94.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 174.5 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | W125 L140 I141 S146 S147 A148 F154 Y224 | W125-V144 HydrophobicContact CH2-CB 4.45Å; W125-V144 HydrophobicContact CH2-CG2 3.64Å; W125-V144 HydrophobicContact CZ3-CG2 3.88Å; L140-V144 WeakPolarHBondContact O-CG2 3.34Å; L140-V144 PolarHBondContact O-N 3.4Å; I141-V144 PolarHBondContact O-N 2.92Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.39Å; V144-S147 PolarHBondContact O-N 2.84Å; V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.79Å; V144-F154 HydrophobicContact CG1-CB 3.72Å; V144-F154 HydrophobicContact CG1-CD1 4.44Å; V144-F154 HydrophobicContact CG1-CD2 4.01Å; V144-F154 HydrophobicContact CG1-CG 3.83Å; V144-F154 HydrophobicContact CG2-CD2 3.87Å; V144-F154 HydrophobicContact CG2-CE2 3.96Å; V144-F154 HydrophobicContact CG2-CG 4.46Å; V144-Y224 HydrophobicContact CG1-CD1 4.03Å; V144-Y224 HydrophobicContact CG1-CD2 3.58Å; V144-Y224 HydrophobicContact CG1-CE1 4.49Å; V144-Y224 HydrophobicContact CG1-CE2 4.11Å; V144-Y224 HydrophobicContact CG1-CG 3.54Å |
| 145 | N | 94.6 | Very high | 91.7 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 176.4 | -80.2 | -45.6 | 0 | 0 | 0 | 112.8 | I141 R143 A148 R149 Y224 | I141-N145 WeakPolarHBondContact CG2-ND2 3.41Å; I141-N145 WeakPolarHBondContact O-CB 3.5Å; I141-N145 PolarHBondContact O-N 3.15Å; I141-N145 PolarHBondContact O-ND2 3.3Å; R143-N145 VanDerWaalsContact C-N 3.34Å; R143-N145 PolarHBondContact O-N 3.04Å; N145-A148 WeakPolarHBondContact O-CB 3.33Å; N145-A148 PolarHBondContact O-N 2.86Å; N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.19Å; N145-R149 PolarHBondContact O-NH1 3.02Å; N145-Y224 PolarHBondContact ND2-O 2.87Å; N145-Y224 PolarHBondContact OD1-N 3.35Å |
| 146 | S | 93.3 | Very high | 92 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | D142 R143 V144 A148 R149 G150 | D142-S146 VanDerWaalsContact O-CB 3.31Å; D142-S146 WeakPolarHBondContact O-CB 3.2Å; D142-S146 PolarHBondContact O-N 3.36Å; D142-S146 PolarHBondContact O-OG 3.47Å; R143-S146 WeakPolarHBondContact O-CB 3.24Å; R143-S146 PolarHBondContact O-N 3.04Å; R143-S146 VanDerWaalsContact O-N 3.13Å; V144-S146 VanDerWaalsContact C-N 3.29Å; V144-S146 PolarHBondContact O-N 3.39Å; S146-A148 VanDerWaalsContact C-N 3.34Å; S146-R149 PolarHBondContact O-N 2.86Å; S146-R149 PolarHBondContact OG-NH2 2.96Å; S146-G150 PolarHBondContact O-N 3.44Å |
| 147 | S | 91.5 | Very high | 92.2 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 170.9 | -61.8 | 0 | 0 | 0 | 0 | 111.3 | R143 V144 R149 G150 V152 | R143-S147 PolarHBondContact O-N 3.23Å; R143-S147 PolarHBondContact O-OG 2.84Å; V144-S147 PolarHBondContact O-N 2.84Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 3.03Å; S147-G150 VanDerWaalsContact O-CA 3.26Å; S147-G150 WeakPolarHBondContact O-CA 3.3Å; S147-G150 PolarHBondContact O-N 2.84Å; S147-V152 VanDerWaalsContact O-CG2 3.23Å; S147-V152 WeakPolarHBondContact O-CG2 3.22Å |
| 148 | A | 90.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -42.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V144 N145 S146 G150 G151 V152 Y224 | V144-A148 WeakPolarHBondContact O-CB 3.47Å; V144-A148 PolarHBondContact O-N 2.79Å; N145-A148 WeakPolarHBondContact O-CB 3.33Å; N145-A148 PolarHBondContact O-N 2.86Å; S146-A148 VanDerWaalsContact C-N 3.34Å; A148-G150 PolarHBondContact O-N 3.11Å; A148-G150 VanDerWaalsContact O-N 3.17Å; A148-G151 PolarHBondContact O-N 3.26Å; A148-V152 WeakPolarHBondContact CA-O 3.45Å; A148-Y224 HydrophobicContact CB-CD2 4.09Å; A148-Y224 HydrophobicContact CB-CE2 3.68Å |
| 149 | R | 87.9 | Confident | 92 | Very high | 182 Ų | 182 | 38.6 Ų | 38.6 | 69% | 0.687 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -61.9 | -21.2 | 172.4 | -69.2 | -171.7 | -58.1 | -86.6 | 5.7 | 113.5 | N145 S146 S147 G151 | N145-R149 WeakPolarHBondContact O-CG 3.46Å; N145-R149 PolarHBondContact O-N 3.19Å; N145-R149 PolarHBondContact O-NH1 3.02Å; S146-R149 PolarHBondContact O-N 2.86Å; S146-R149 PolarHBondContact OG-NH2 2.96Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 3.03Å; R149-G151 VanDerWaalsContact C-N 3.26Å |
| 150 | G | 85.4 | Confident | 91.6 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 67% | 0.67 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | 1.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S146 S147 A148 | S146-G150 PolarHBondContact O-N 3.44Å; S147-G150 VanDerWaalsContact O-CA 3.26Å; S147-G150 WeakPolarHBondContact O-CA 3.3Å; S147-G150 PolarHBondContact O-N 2.84Å; A148-G150 PolarHBondContact O-N 3.11Å; A148-G150 VanDerWaalsContact O-N 3.17Å |
| 151 | G | 86.1 | Confident | 90.8 | Very high | 17 Ų | 17 | 37.1 Ų | 37.1 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 23 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A148 R149 | A148-G151 PolarHBondContact O-N 3.26Å; R149-G151 VanDerWaalsContact C-N 3.26Å |
| 152 | V | 90.8 | Very high | 89.3 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 151.8 | 170.6 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | S147 A148 F207 H208 | S147-V152 VanDerWaalsContact O-CG2 3.23Å; S147-V152 WeakPolarHBondContact O-CG2 3.22Å; A148-V152 WeakPolarHBondContact CA-O 3.45Å; V152-F207 HydrophobicContact CB-CB 4.15Å; V152-F207 HydrophobicContact CB-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CB 4.22Å; V152-F207 HydrophobicContact CG2-CD1 3.78Å; V152-F207 HydrophobicContact CG2-CE1 4.42Å; V152-F207 HydrophobicContact CG2-CG 4.1Å; V152-H208 CarbonylContact C-O 3.58Å; V152-H208 VanDerWaalsContact CA-O 3.26Å; V152-H208 WeakPolarHBondContact CA-O 3.33Å; V152-H208 WeakPolarHBondContact CB-O 3.38Å |
| 153 | Q | 92.4 | Very high | 87.3 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.7 | 177.3 | -178.9 | 176.2 | 42.5 | 0 | 0 | 109.3 | F207 H208 W210 Y224 E287 | Q153-F207 CarbonylContact O-C 3.55Å; Q153-F207 WeakPolarHBondContact O-CA 3.43Å; Q153-H208 HydrophobicContact CB-CB 4.32Å; Q153-H208 PolarHBondContact N-O 3.35Å; Q153-H208 PolarHBondContact O-N 2.87Å; Q153-W210 HydrophobicContact CB-CH2 3.64Å; Q153-W210 HydrophobicContact CB-CZ3 3.69Å; Q153-Y224 WeakPolarHBondContact CG-OH 3.34Å; Q153-E287 PolarHBondContact NE2-OE1 2.89Å |
| 154 | F | 94.8 | Very high | 85 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 4% | 0.044 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 136 | 176 | 172.4 | -95.2 | 0 | 0 | 0 | 110.3 | V144 V205 F207 Y224 V262 D263 V285 | V144-F154 HydrophobicContact CG1-CB 3.72Å; V144-F154 HydrophobicContact CG1-CD1 4.44Å; V144-F154 HydrophobicContact CG1-CD2 4.01Å; V144-F154 HydrophobicContact CG1-CG 3.83Å; V144-F154 HydrophobicContact CG2-CD2 3.87Å; V144-F154 HydrophobicContact CG2-CE2 3.96Å; V144-F154 HydrophobicContact CG2-CG 4.46Å; F154-V205 HydrophobicContact CD2-CG1 3.71Å; F154-V205 HydrophobicContact CE2-CG1 3.5Å; F154-V205 VanDerWaalsContact CE2-CG1 3.5Å; F154-F207 HydrophobicContact CB-CD1 4.04Å; F154-F207 HydrophobicContact CB-CE1 3.9Å; F154-F207 HydrophobicContact CD2-CD1 4.44Å; F154-F207 AromaticContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CZ 4.21Å; F154-F207 HydrophobicContact CG-CE1 4.38Å; F154-Y224 HydrophobicContact CB-CD1 4.31Å; F154-Y224 HydrophobicContact CB-CE1 3.64Å; F154-Y224 HydrophobicContact CB-CE2 4.31Å; F154-Y224 HydrophobicContact CD1-CD1 4.24Å; F154-Y224 HydrophobicContact CD1-CE1 4.02Å; F154-Y224 HydrophobicContact CG-CE1 4.29Å; F154-Y224 PolarHBondContact N-OH 2.8Å; F154-V262 HydrophobicContact CD1-CG2 3.99Å; F154-V262 HydrophobicContact CE1-CG2 4.1Å; F154-D263 HydrophobicContact CE1-CB 3.63Å; F154-D263 HydrophobicContact CZ-CB 3.99Å; F154-V285 HydrophobicContact CD1-CG1 4.34Å; F154-V285 HydrophobicContact CE1-CB 4.29Å; F154-V285 HydrophobicContact CE1-CG1 3.93Å |
| 155 | V | 94.8 | Very high | 82.4 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.103 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -41.9 | -178.4 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L75 F206 H208 | L75-V155 HydrophobicContact CB-CG1 4.3Å; L75-V155 HydrophobicContact CD2-CG1 4.05Å; L75-V155 HydrophobicContact CG-CG1 4.05Å; L75-V155 WeakPolarHBondContact O-CG1 3.36Å; V155-F206 HydrophobicContact CB-CB 4.16Å; V155-F206 PolarHBondContact N-O 2.89Å; V155-H208 HydrophobicContact CG2-CB 4.43Å; V155-H208 WeakPolarHBondContact CG2-CD2 3.41Å; V155-H208 VanDerWaalsContact CG2-NE2 3.33Å; V155-H208 WeakPolarHBondContact CG2-NE2 3.49Å |
| 156 | G | 94.8 | Very high | 79.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F206 | G156-F206 PolarHBondContact O-N 2.71Å |
| 157 | S | 93.7 | Very high | 76.6 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.8 | -178.5 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | L204 D263 | S157-L204 CarbonylContact C-O 3.52Å; S157-L204 VanDerWaalsContact CA-O 3.31Å; S157-L204 WeakPolarHBondContact CA-O 3.45Å; S157-D263 WeakPolarHBondContact CB-OD2 3.33Å; S157-D263 PolarHBondContact N-OD2 3.09Å; S157-D263 PolarHBondContact OG-OD2 3Å |
| 158 | V | 91.3 | Very high | 73.6 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 132 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | L58 L78 Y97 Q160 L204 F206 | L58-V158 HydrophobicContact CD1-CG1 4.02Å; L78-V158 HydrophobicContact CB-CG2 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.81Å; L78-V158 HydrophobicContact CG-CG2 3.88Å; L78-V158 WeakPolarHBondContact O-CG2 3.35Å; Y97-V158 HydrophobicContact CD1-CG1 4.06Å; Y97-V158 HydrophobicContact CE1-CG1 3.62Å; V158-Q160 PolarHBondContact O-N 2.86Å; V158-L204 PolarHBondContact N-O 2.68Å; V158-L204 PolarHBondContact O-N 3.49Å; V158-F206 HydrophobicContact CB-CE2 4.46Å; V158-F206 HydrophobicContact CG2-CE2 4.38Å |
| 159 | L | 87.1 | Confident | 70.8 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.4 | 167.9 | -68.8 | 173.9 | 0 | 0 | 0 | 108.9 | L127 K202 L203 F265 Y267 | L127-L159 HydrophobicContact CD2-CD2 3.34Å; L159-K202 WeakPolarHBondContact CA-O 3.45Å; L159-L203 HydrophobicContact CD2-CB 4.3Å; L159-L203 HydrophobicContact CD2-CD1 4Å; L159-F265 HydrophobicContact CD1-CE2 3.86Å; L159-F265 HydrophobicContact CD1-CZ 3.91Å; L159-F265 HydrophobicContact CD2-CE2 3.92Å; L159-F265 HydrophobicContact CD2-CZ 4.13Å; L159-F265 HydrophobicContact CG-CE2 3.71Å; L159-F265 HydrophobicContact CG-CZ 4.16Å; L159-Y267 HydrophobicContact CD1-CD1 4.15Å; L159-Y267 HydrophobicContact CD1-CE1 3.96Å |
| 160 | Q | 83.9 | Confident | 68 | Low | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.075 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132 | 175 | -168.1 | -172.3 | -68.1 | 0 | 0 | 110 | L45 L58 V158 L201 K202 L204 | L45-Q160 HydrophobicContact CD1-CG 3.77Å; L58-Q160 VanDerWaalsContact CB-OE1 3.26Å; L58-Q160 HydrophobicContact CD1-CB 4.16Å; L58-Q160 HydrophobicContact CD1-CG 4.02Å; L58-Q160 HydrophobicContact CG-CG 4.36Å; V158-Q160 PolarHBondContact O-N 2.86Å; Q160-L201 WeakPolarHBondContact O-CA 3.25Å; Q160-K202 PolarHBondContact N-O 3.32Å; Q160-K202 PolarHBondContact O-N 2.95Å; Q160-L204 HydrophobicContact CB-CD1 4.01Å; Q160-L204 HydrophobicContact CB-CG 4.42Å |
| 161 | Q | 74.6 | Confident | 65.5 | Low | 36 Ų | 36 | 62.7 Ų | 62.7 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.9 | 167.8 | -50.3 | -158.7 | -37 | 0 | 0 | 111 | L95 D200 L201 | L95-Q161 HydrophobicContact CD2-CB 3.88Å; L95-Q161 HydrophobicContact CD2-CG 4.44Å; Q161-D200 CarbonylContact C-O 3.58Å; Q161-D200 WeakPolarHBondContact CA-O 3.29Å; Q161-L201 HydrophobicContact CB-CD2 4.19Å; Q161-L201 HydrophobicContact CG-CD2 3.67Å |
| 162 | V | 63.6 | Low | 63 | Low | 55 Ų | 55 | 67.6 Ų | 67.6 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | trans | -90.3 | 104.1 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | G164 D200 K202 | V162-G164 PolarHBondContact O-N 2.88Å; V162-G164 VanDerWaalsContact O-N 3.09Å; V162-D200 PolarHBondContact N-O 2.77Å; V162-K202 HydrophobicContact CG2-CD 3.59Å; V162-K202 HydrophobicContact CG2-CG 3.65Å | ||
| 163 | S | 53.5 | Low | 60.3 | Low | 70 Ų | 70 | 78.6 Ų | 78.6 | 49% | 0.49 | 46% | 0.464 | S | S | . | . | trans | -71.3 | 105.2 | 178.7 | -149 | 0 | 0 | 0 | 0 | 109.5 | V165 | S163-V165 PolarHBondContact O-N 3.31Š| ||
| 164 | G | 45.6 | Very low | 57.2 | Low | 69 Ų | 69 | 80.5 Ų | 80.5 | 71% | 0.711 | 49% | 0.49 | S | S | * | . | trans | -74.4 | 38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V162 T166 | V162-G164 PolarHBondContact O-N 2.88Å; V162-G164 VanDerWaalsContact O-N 3.09Å; G164-T166 PolarHBondContact O-N 3.37Å; G164-T166 VanDerWaalsContact O-N 3.15Å | ||
| 165 | V | 40.2 | Very low | 54.2 | Low | 98 Ų | 98 | 86.1 Ų | 86.1 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | trans | -88.7 | 75.1 | -179.6 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | S163 F167 | S163-V165 PolarHBondContact O-N 3.31Å; V165-F167 HydrophobicContact CG1-CD2 3.27Å; V165-F167 HydrophobicContact CG1-CE2 3.56Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 PolarHBondContact O-N 2.86Å | ||
| 166 | T | 30.1 | Very low | 51.2 | Low | 138 Ų | 138 | 96.3 Ų | 96.3 | 85% | 0.847 | 57% | 0.565 | S | S | * | * | trans | -84.7 | 85.3 | 157.2 | 21.4 | 0 | 0 | 0 | 0 | 109 | G164 G168 | G164-T166 PolarHBondContact O-N 3.37Å; G164-T166 VanDerWaalsContact O-N 3.15Å; T166-G168 PolarHBondContact O-N 2.69Å | ||
| 167 | F | 36.8 | Very low | 48.1 | Very low | 203 Ų | 203 | 101 Ų | 101 | 89% | 0.89 | 60% | 0.596 | S | S | * | * | trans | -72.9 | 100 | 155 | -83.6 | -76.8 | 0 | 0 | 0 | 107.9 | V165 | V165-F167 HydrophobicContact CG1-CD2 3.27Å; V165-F167 HydrophobicContact CG1-CE2 3.56Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 PolarHBondContact O-N 2.86Å | ||
| 168 | G | 28.1 | Very low | 45.7 | Very low | 60 Ų | 60 | 105.7 Ų | 105.7 | 62% | 0.619 | 63% | 0.627 | S | S | * | * | trans | -170.5 | 72.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T166 S170 | T166-G168 PolarHBondContact O-N 2.69Å; G168-S170 PolarHBondContact O-N 3.17Å | ||
| 169 | L | 31.5 | Very low | 43.5 | Very low | 169 Ų | 169 | 111.1 Ų | 111.1 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | trans | 37.4 | 86.7 | 137.8 | -60.1 | 166.7 | 0 | 0 | 0 | 116.3 | P171 | L169-P171 WeakPolarHBondContact O-CD 3.37Š| ||
| 170 | S | 29.4 | Very low | 41 | Very low | 119 Ų | 119 | 120.9 Ų | 120.9 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | trans | -56.2 | 121.2 | 154 | -50.1 | 0 | 0 | 0 | 0 | 108.1 | G168 S172 | G168-S170 PolarHBondContact O-N 3.17Å; S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 VanDerWaalsContact O-N 3.14Å | ||
| 171 | P | 32.8 | Very low | 38.7 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -65.8 | 122 | 174.6 | -6.9 | 20 | 0 | 0 | 0 | 107.5 | L169 R173 | L169-P171 WeakPolarHBondContact O-CD 3.37Å; P171-R173 PolarHBondContact O-N 3.07Å | ||
| 172 | S | 32.9 | Very low | 38 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -50 | 99.8 | 164 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | S170 G174 | S170-S172 PolarHBondContact O-N 3.21Å; S170-S172 VanDerWaalsContact O-N 3.14Å; S172-G174 PolarHBondContact O-N 3.49Å | ||
| 173 | R | 34.3 | Very low | 37.2 | Very low | 254 Ų | 254 | 133.7 Ų | 133.7 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | trans | -87.8 | 93.4 | 160.4 | -110.6 | -173.7 | 178.6 | -153.4 | 1 | 107.7 | P171 | P171-R173 PolarHBondContact O-N 3.07Š| ||
| 174 | G | 28.2 | Very low | 36.2 | Very low | 61 Ų | 61 | 138.9 Ų | 138.9 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -71.3 | 150.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S172 | S172-G174 PolarHBondContact O-N 3.49Š| ||
| 175 | C | 30.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | trans | 104.4 | 106.6 | 144.2 | -59.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 176 | R | 31.4 | Very low | 35.9 | Very low | 230 Ų | 230 | 142.9 Ų | 142.9 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 88.3 | 100.5 | 134.7 | -76.8 | -175.4 | -176.1 | -120.2 | -0.3 | 122.9 | ||||
| 177 | S | 30.9 | Very low | 36.3 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | 63.6 | 160 | 121.4 | -43.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 178 | P | 42.3 | Very low | 36.1 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | cis | -130.2 | -176.4 | -14.5 | 30.8 | -7.1 | 0 | 0 | 0 | 114.4 | ||||
| 179 | P | 45.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -97.6 | 147.4 | -166.6 | 36.7 | -29.8 | 0 | 0 | 0 | 114.5 | ||||
| 180 | R | 34.8 | Very low | 36.9 | Very low | 246 Ų | 246 | 143.9 Ų | 143.9 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -146.9 | 123.8 | 159.4 | -78.4 | -164.1 | 170.6 | -162.2 | -3.3 | 112.9 | ||||
| 181 | T | 36.1 | Very low | 37.1 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -0.2 | 154.1 | 162.7 | 37.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 182 | P | 59.4 | Low | 37.1 | Very low | 115 Ų | 115 | 150 Ų | 150 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | trans | -95 | 176 | -169.9 | 41.6 | -35.5 | 0 | 0 | 0 | 113.9 | ||||
| 183 | P | 46.1 | Very low | 37.1 | Very low | 128 Ų | 128 | 152 Ų | 152 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | -149.4 | 171.5 | 100.8 | 35.9 | -15.9 | 0 | 0 | 0 | 117.4 | |||||
| 184 | Q | 32.5 | Very low | 37 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -56.8 | 151.7 | -175.3 | -64.2 | 169.6 | -25.4 | 0 | 0 | 118.3 | ||||
| 185 | T | 37.3 | Very low | 37.1 | Very low | 141 Ų | 141 | 151 Ų | 151 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | -174.5 | 158.2 | 126 | 18.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 186 | P | 42.6 | Very low | 37.2 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 162.6 | -148.7 | 34.5 | -35.7 | 0 | 0 | 0 | 114.6 | G188 | P186-G188 PolarHBondContact O-N 3.34Š|
| 187 | P | 39.3 | Very low | 37.6 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 117 | 177.8 | 30.8 | -29 | 0 | 0 | 0 | 109.4 | ||
| 188 | G | 31.9 | Very low | 38.3 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 132.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P186 R190 | P186-G188 PolarHBondContact O-N 3.34Å; G188-R190 PolarHBondContact O-N 2.97Å |
| 189 | D | 39.7 | Very low | 38.6 | Very low | 164 Ų | 164 | 143.5 Ų | 143.5 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -44.5 | 107.5 | 176.2 | -62.8 | -48.3 | 0 | 0 | 0 | 111.3 | ||||
| 190 | R | 36.4 | Very low | 39.6 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | trans | -112.6 | 98.1 | 151.5 | -73.9 | -171.9 | 172 | 177.4 | -1.9 | 104.9 | G188 Q192 | G188-R190 PolarHBondContact O-N 2.97Å; R190-Q192 PolarHBondContact O-N 3.07Å | ||
| 191 | E | 34.3 | Very low | 41.7 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | trans | -56.1 | 88.3 | 154.8 | -68.1 | 179.8 | 144.3 | 0 | 0 | 106.2 | E193 | E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.24Å; E191-E193 VanDerWaalsContact O-N 3.13Å | ||
| 192 | Q | 32 | Very low | 44 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -72.8 | 100.6 | 167.4 | -172.1 | 147 | 26.4 | 0 | 0 | 103.8 | R190 E194 | R190-Q192 PolarHBondContact O-N 3.07Å; Q192-E194 PolarHBondContact O-N 3.21Å | ||
| 193 | E | 32.6 | Very low | 45.4 | Very low | 162 Ų | 162 | 122.1 Ų | 122.1 | 76% | 0.757 | 64% | 0.642 | S | S | * | * | trans | -53.6 | 91.5 | 164.6 | -80.3 | 177.8 | 145.6 | 0 | 0 | 107.3 | E191 H195 | E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.24Å; E191-E193 VanDerWaalsContact O-N 3.13Å; E193-H195 PolarHBondContact O-N 3.46Å | ||
| 194 | E | 32.1 | Very low | 47.7 | Very low | 166 Ų | 166 | 116.1 Ų | 116.1 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | trans | -72.7 | 80.4 | 171.3 | -154.5 | 176.3 | -161.1 | 0 | 0 | 105.2 | Q192 T196 | Q192-E194 PolarHBondContact O-N 3.21Å; E194-T196 PolarHBondContact O-N 2.72Å; E194-T196 PolarHBondContact O-OG1 3.14Å | ||
| 195 | H | 30.8 | Very low | 50.7 | Low | 129 Ų | 129 | 107.7 Ų | 107.7 | 60% | 0.597 | 56% | 0.563 | S | S | * | * | trans | -62.5 | 82 | 158.9 | -75.9 | -67.2 | 0 | 0 | 0 | 107 | E193 Y197 | E193-H195 PolarHBondContact O-N 3.46Å; H195-Y197 HydrophobicContact CB-CD2 3.93Å; H195-Y197 HydrophobicContact CB-CE2 3.71Å; H195-Y197 WeakPolarHBondContact O-CD2 3.45Å; H195-Y197 PolarHBondContact O-N 3.41Å | ||
| 196 | T | 33.8 | Very low | 53.5 | Low | 104 Ų | 104 | 101 Ų | 101 | 64% | 0.638 | 52% | 0.522 | S | S | * | . | trans | -71.4 | 73.7 | 170.2 | -46.5 | 0 | 0 | 0 | 0 | 108 | E194 S198 | E194-T196 PolarHBondContact O-N 2.72Å; E194-T196 PolarHBondContact O-OG1 3.14Å; T196-S198 PolarHBondContact O-N 2.93Å | ||
| 197 | Y | 39 | Very low | 56 | Low | 173 Ų | 173 | 96 Ų | 96 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | trans | -54.3 | 130.8 | 158.9 | -73.6 | -86 | 0 | 0 | 0 | 107.3 | H195 P199 | H195-Y197 HydrophobicContact CB-CD2 3.93Å; H195-Y197 HydrophobicContact CB-CE2 3.71Å; H195-Y197 WeakPolarHBondContact O-CD2 3.45Å; H195-Y197 PolarHBondContact O-N 3.41Å; Y197-P199 WeakPolarHBondContact O-CD 3.43Å; Y197-P199 WeakPolarHBondContact O-CG 3.29Å | ||
| 198 | S | 46.3 | Very low | 58.6 | Low | 46 Ų | 46 | 90.3 Ų | 90.3 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | trans | -74.1 | 98.1 | 167.6 | 38.5 | 0 | 0 | 0 | 0 | 107.6 | T196 D200 | T196-S198 PolarHBondContact O-N 2.93Å; S198-D200 PolarHBondContact O-N 3.29Å | ||
| 199 | P | 48.1 | Very low | 61.5 | Low | 106 Ų | 106 | 87.5 Ų | 87.5 | 69% | 0.688 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 4.8 | -168.2 | 6.2 | 12.3 | 0 | 0 | 0 | 112.8 | Y197 | Y197-P199 WeakPolarHBondContact O-CD 3.43Å; Y197-P199 WeakPolarHBondContact O-CG 3.29Å |
| 200 | D | 67.7 | Low | 63.8 | Low | 68 Ų | 68 | 81 Ų | 81 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 0.7 | -164.3 | -53.4 | -29.1 | 0 | 0 | 0 | 113.3 | R89 Q161 V162 S198 | R89-D200 IonicContact NH1-OD2 3.29Å; R89-D200 PolarHBondContact NH1-OD2 3.3Å; Q161-D200 CarbonylContact C-O 3.58Å; Q161-D200 WeakPolarHBondContact CA-O 3.29Å; V162-D200 PolarHBondContact N-O 2.77Å; S198-D200 PolarHBondContact O-N 3.29Å |
| 201 | L | 77 | Confident | 66 | Low | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.8 | -178.6 | -64 | -179.7 | 0 | 0 | 0 | 111.4 | L127 Q160 Q161 | L127-L201 HydrophobicContact CD1-CB 3.9Å; L127-L201 VanDerWaalsContact CD1-O 3.3Å; L127-L201 WeakPolarHBondContact CD1-O 3.37Å; L127-L201 HydrophobicContact CD2-CB 4.45Å; Q160-L201 WeakPolarHBondContact O-CA 3.25Å; Q161-L201 HydrophobicContact CB-CD2 4.19Å; Q161-L201 HydrophobicContact CG-CD2 3.67Å |
| 202 | K | 84.8 | Confident | 68 | Low | 71 Ų | 71 | 70.1 Ų | 70.1 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.5 | 173.2 | -69.9 | 178.4 | 168 | -138.8 | 0 | 110 | E124 L159 Q160 V162 | E124-K202 VanDerWaalsContact CD-NZ 3.33Å; E124-K202 VanDerWaalsContact OE1-CD 3.32Å; E124-K202 WeakPolarHBondContact OE1-CD 3.28Å; E124-K202 WeakPolarHBondContact OE1-CE 3.36Å; E124-K202 IonicContact OE1-NZ 3.97Å; E124-K202 PolarHBondContact OE1-NZ 3.34Å; E124-K202 IonicContact OE2-NZ 3.76Å; E124-K202 PolarHBondContact OE2-NZ 2.9Å; L159-K202 WeakPolarHBondContact CA-O 3.45Å; Q160-K202 PolarHBondContact N-O 3.32Å; Q160-K202 PolarHBondContact O-N 2.95Å; V162-K202 HydrophobicContact CG2-CD 3.59Å; V162-K202 HydrophobicContact CG2-CG 3.65Å |
| 203 | L | 90.1 | Very high | 69.9 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.3 | 171.1 | -177.3 | 61.7 | 0 | 0 | 0 | 108.9 | W125 L127 L140 L159 V205 F265 | W125-L203 HydrophobicContact CB-CD2 4.17Å; W125-L203 HydrophobicContact CB-CG 4.42Å; W125-L203 PolarHBondContact N-O 2.8Å; L127-L203 HydrophobicContact CD2-CB 3.94Å; L140-L203 HydrophobicContact CD2-CD2 4.04Å; L159-L203 HydrophobicContact CD2-CB 4.3Å; L159-L203 HydrophobicContact CD2-CD1 4Å; L203-V205 HydrophobicContact CD2-CG2 4.45Å; L203-V205 HydrophobicContact CG-CG2 4.12Å; L203-F265 HydrophobicContact CD1-CD2 4.33Å; L203-F265 HydrophobicContact CD1-CE2 3.72Å |
| 204 | L | 93.3 | Very high | 71.9 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.6 | 172.6 | -61.7 | -178.5 | 0 | 0 | 0 | 109.3 | L58 V122 E123 E124 S157 V158 Q160 F206 | L58-L204 HydrophobicContact CB-CD1 3.69Å; L58-L204 HydrophobicContact CD1-CD1 4.27Å; L58-L204 HydrophobicContact CG-CD1 4.47Å; V122-L204 HydrophobicContact CG2-CB 4.31Å; V122-L204 HydrophobicContact CG2-CD2 4.49Å; E123-L204 WeakPolarHBondContact O-CA 3.46Å; E124-L204 HydrophobicContact CB-CD2 4.01Å; E124-L204 HydrophobicContact CG-CD2 4.18Å; S157-L204 CarbonylContact C-O 3.52Å; S157-L204 VanDerWaalsContact CA-O 3.31Å; S157-L204 WeakPolarHBondContact CA-O 3.45Å; V158-L204 PolarHBondContact N-O 2.68Å; V158-L204 PolarHBondContact O-N 3.49Å; Q160-L204 HydrophobicContact CB-CD1 4.01Å; Q160-L204 HydrophobicContact CB-CG 4.42Å; L204-F206 HydrophobicContact CB-CE2 3.91Å; L204-F206 HydrophobicContact CB-CZ 4.28Å |
| 205 | V | 95.7 | Very high | 73.8 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.4 | -178.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V122 E123 W125 F154 L203 F207 | V122-V205 CarbonylContact C-O 3.48Å; V122-V205 WeakPolarHBondContact CA-O 3.47Å; E123-V205 PolarHBondContact N-O 3.12Å; E123-V205 PolarHBondContact O-N 2.88Å; W125-V205 HydrophobicContact CB-CG2 4.19Å; W125-V205 HydrophobicContact CD2-CB 4.27Å; W125-V205 HydrophobicContact CD2-CG2 3.61Å; W125-V205 HydrophobicContact CE3-CG2 3.8Å; W125-V205 HydrophobicContact CG-CB 4.5Å; W125-V205 HydrophobicContact CG-CG2 3.8Å; W125-V205 HydrophobicContact CZ2-CG1 4.38Å; W125-V205 HydrophobicContact CZ3-CG2 4.38Å; F154-V205 HydrophobicContact CD2-CG1 3.71Å; F154-V205 HydrophobicContact CE2-CG1 3.5Å; F154-V205 VanDerWaalsContact CE2-CG1 3.5Å; L203-V205 HydrophobicContact CD2-CG2 4.45Å; L203-V205 HydrophobicContact CG-CG2 4.12Å; V205-F207 HydrophobicContact CB-CE2 4.06Å; V205-F207 HydrophobicContact CB-CZ 4.47Å; V205-F207 HydrophobicContact CG1-CD2 4.24Å; V205-F207 HydrophobicContact CG1-CE1 4.32Å; V205-F207 HydrophobicContact CG1-CE2 3.44Å; V205-F207 VanDerWaalsContact CG1-CE2 3.44Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å |
| 206 | F | 96.6 | Very high | 75.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.1 | -174.4 | -65.8 | -92.4 | 0 | 0 | 0 | 111.2 | L58 L61 L78 L120 R121 V122 V155 G156 V158 L204 | L58-F206 HydrophobicContact CB-CZ 4.17Å; L61-F206 HydrophobicContact CB-CE1 4.41Å; L61-F206 HydrophobicContact CD1-CE1 4Å; L61-F206 HydrophobicContact CD1-CZ 4.1Å; L78-F206 HydrophobicContact CD2-CD2 3.91Å; L78-F206 HydrophobicContact CD2-CE1 4.03Å; L78-F206 HydrophobicContact CD2-CE2 3.37Å; L78-F206 HydrophobicContact CD2-CG 4.47Å; L78-F206 HydrophobicContact CD2-CZ 3.43Å; L78-F206 VanDerWaalsContact CD2-CZ 3.43Å; L120-F206 HydrophobicContact CD1-CB 4.12Å; L120-F206 HydrophobicContact CD1-CD1 4.14Å; L120-F206 HydrophobicContact CD2-CD1 4.22Å; L120-F206 HydrophobicContact CG-CD1 4.29Å; R121-F206 CarbonylContact O-C 3.59Å; R121-F206 WeakPolarHBondContact O-CA 3.33Å; V122-F206 HydrophobicContact CB-CD1 4.06Å; V122-F206 HydrophobicContact CB-CE1 3.88Å; V122-F206 HydrophobicContact CG2-CD1 4.07Å; V122-F206 HydrophobicContact CG2-CE1 3.6Å; V122-F206 HydrophobicContact CG2-CE2 4.39Å; V122-F206 HydrophobicContact CG2-CZ 3.77Å; V155-F206 HydrophobicContact CB-CB 4.16Å; V155-F206 PolarHBondContact N-O 2.89Å; G156-F206 PolarHBondContact O-N 2.71Å; V158-F206 HydrophobicContact CB-CE2 4.46Å; V158-F206 HydrophobicContact CG2-CE2 4.38Å; L204-F206 HydrophobicContact CB-CE2 3.91Å; L204-F206 HydrophobicContact CB-CZ 4.28Å |
| 207 | F | 95.3 | Very high | 77.2 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.7 | 178.7 | -61.5 | -84.5 | 0 | 0 | 0 | 111.3 | L120 R121 E123 W125 V152 Q153 F154 V205 | L120-F207 CarbonylContact C-O 3.58Å; L120-F207 WeakPolarHBondContact CA-O 3.24Å; R121-F207 PolarHBondContact N-O 3.35Å; R121-F207 PolarHBondContact O-N 2.89Å; E123-F207 HydrophobicContact CB-CE2 4.5Å; E123-F207 HydrophobicContact CG-CD2 4.42Å; E123-F207 HydrophobicContact CG-CE2 4.32Å; W125-F207 HydrophobicContact CH2-CZ 4.08Å; W125-F207 HydrophobicContact CZ2-CE2 4.03Å; W125-F207 AromaticContact CZ2-CZ 3.63Å; W125-F207 HydrophobicContact CZ2-CZ 3.63Å; V152-F207 HydrophobicContact CB-CB 4.15Å; V152-F207 HydrophobicContact CB-CD1 4.46Å; V152-F207 HydrophobicContact CG2-CB 4.22Å; V152-F207 HydrophobicContact CG2-CD1 3.78Å; V152-F207 HydrophobicContact CG2-CE1 4.42Å; V152-F207 HydrophobicContact CG2-CG 4.1Å; Q153-F207 CarbonylContact O-C 3.55Å; Q153-F207 WeakPolarHBondContact O-CA 3.43Å; F154-F207 HydrophobicContact CB-CD1 4.04Å; F154-F207 HydrophobicContact CB-CE1 3.9Å; F154-F207 HydrophobicContact CD2-CD1 4.44Å; F154-F207 AromaticContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CE1 3.85Å; F154-F207 HydrophobicContact CD2-CZ 4.21Å; F154-F207 HydrophobicContact CG-CE1 4.38Å; V205-F207 HydrophobicContact CB-CE2 4.06Å; V205-F207 HydrophobicContact CB-CZ 4.47Å; V205-F207 HydrophobicContact CG1-CD2 4.24Å; V205-F207 HydrophobicContact CG1-CE1 4.32Å; V205-F207 HydrophobicContact CG1-CE2 3.44Å; V205-F207 VanDerWaalsContact CG1-CE2 3.44Å; V205-F207 HydrophobicContact CG1-CZ 3.48Å; V205-F207 VanDerWaalsContact CG1-CZ 3.48Å |
| 208 | H | 93.9 | Very high | 78.4 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 134.8 | 159.7 | -69.5 | 163 | 0 | 0 | 0 | 109.5 | Y69 L75 P118 V152 Q153 V155 W210 | Y69-H208 AromaticContact CZ-NE2 3.89Å; Y69-H208 PolarHBondContact OH-CD2 2.84Å; Y69-H208 VanDerWaalsContact OH-CD2 3.23Å; Y69-H208 PolarHBondContact OH-NE2 3.45Å; L75-H208 PolarHBondContact O-CE1 2.89Å; L75-H208 PolarHBondContact O-NE2 2.83Å; P118-H208 HydrophobicContact CB-CB 3.71Å; V152-H208 CarbonylContact C-O 3.58Å; V152-H208 VanDerWaalsContact CA-O 3.26Å; V152-H208 WeakPolarHBondContact CA-O 3.33Å; V152-H208 WeakPolarHBondContact CB-O 3.38Å; Q153-H208 HydrophobicContact CB-CB 4.32Å; Q153-H208 PolarHBondContact N-O 3.35Å; Q153-H208 PolarHBondContact O-N 2.87Å; V155-H208 HydrophobicContact CG2-CB 4.43Å; V155-H208 WeakPolarHBondContact CG2-CD2 3.41Å; V155-H208 VanDerWaalsContact CG2-NE2 3.33Å; V155-H208 WeakPolarHBondContact CG2-NE2 3.49Å; H208-W210 HydrophobicContact CB-CH2 3.64Å; H208-W210 HydrophobicContact CB-CZ2 4.16Å; H208-W210 HydrophobicContact CB-CZ3 4.02Å; H208-W210 WeakPolarHBondContact O-CZ3 3.38Å |
| 209 | S | 91.3 | Very high | 79.2 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.2 | 175.8 | 65.3 | 0 | 0 | 0 | 0 | 109.7 | P118 V119 R121 | P118-S209 CarbonylContact C-O 3.48Å; P118-S209 WeakPolarHBondContact CA-O 3.35Å; V119-S209 PolarHBondContact N-O 3.36Å; V119-S209 PolarHBondContact O-N 3.29Å; V119-S209 PolarHBondContact O-OG 3.02Å; R121-S209 WeakPolarHBondContact CG-OG 3.38Å; R121-S209 PolarHBondContact NE-OG 3.36Å |
| 210 | W | 88.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 11% | 0.11 | 28% | 0.276 | C | S | . | . | trans | -116 | 153.6 | 177.2 | -68.9 | -94.2 | 0 | 0 | 0 | 110.8 | S116 P118 Q153 H208 A215 P216 | S116-W210 VanDerWaalsContact O-CD1 3.24Å; S116-W210 PolarHBondContact O-NE1 3.47Å; P118-W210 HydrophobicContact CB-CD2 4.38Å; P118-W210 HydrophobicContact CB-CH2 4.47Å; P118-W210 HydrophobicContact CB-CZ2 3.74Å; P118-W210 HydrophobicContact CG-CZ2 4.16Å; Q153-W210 HydrophobicContact CB-CH2 3.64Å; Q153-W210 HydrophobicContact CB-CZ3 3.69Å; H208-W210 HydrophobicContact CB-CH2 3.64Å; H208-W210 HydrophobicContact CB-CZ2 4.16Å; H208-W210 HydrophobicContact CB-CZ3 4.02Å; H208-W210 WeakPolarHBondContact O-CZ3 3.38Å; W210-A215 HydrophobicContact CB-CB 3.95Å; W210-A215 HydrophobicContact CD2-CB 4.35Å; W210-A215 HydrophobicContact CE3-CB 4.3Å; W210-A215 HydrophobicContact CG-CB 4.22Å; W210-P216 HydrophobicContact CZ2-CG 4.04Å | ||
| 211 | P | 82.2 | Confident | 79.8 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | trans | -53 | 147.5 | 165 | -23.2 | 33.7 | 0 | 0 | 0 | 110.8 | G213 C214 | P211-G213 PolarHBondContact O-N 3.21Å; P211-C214 HydrophobicContact CB-CB 4.34Å; P211-C214 PolarHBondContact O-N 3.14Å | ||
| 212 | P | 76.8 | Confident | 79.9 | Confident | 136 Ų | 136 | 44 Ų | 44 | 88% | 0.883 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 127.4 | 179.3 | -26.9 | 34.5 | 0 | 0 | 0 | 111.9 | C214 | P212-C214 VanDerWaalsContact C-N 3.31Å; P212-C214 PolarHBondContact O-N 2.94Å |
| 213 | G | 72.3 | Confident | 80.2 | Confident | 88 Ų | 88 | 45.8 Ų | 45.8 | 91% | 0.907 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 1.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | P211 | P211-G213 PolarHBondContact O-N 3.21Š|
| 214 | C | 74.9 | Confident | 80.4 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | trans | -113 | 1.5 | -179.8 | -49.1 | 0 | 0 | 0 | 0 | 114.1 | S116 P211 P212 | S116-C214 WeakPolarHBondContact OG-CB 3.11Å; S116-C214 PolarHBondContact OG-O 3.34Å; P211-C214 HydrophobicContact CB-CB 4.34Å; P211-C214 PolarHBondContact O-N 3.14Å; P212-C214 VanDerWaalsContact C-N 3.31Å; P212-C214 PolarHBondContact O-N 2.94Å | ||
| 215 | A | 71.6 | Confident | 80.5 | Confident | 23 Ų | 23 | 47.7 Ų | 47.7 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -62.2 | 136.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W210 L220 | W210-A215 HydrophobicContact CB-CB 3.95Å; W210-A215 HydrophobicContact CD2-CB 4.35Å; W210-A215 HydrophobicContact CE3-CB 4.3Å; W210-A215 HydrophobicContact CG-CB 4.22Å; A215-L220 HydrophobicContact CB-CD1 4.14Å; A215-L220 HydrophobicContact CB-CD2 4.36Å; A215-L220 HydrophobicContact CB-CG 4.02Å |
| 216 | P | 70.8 | Confident | 80.5 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | trans | -55.2 | 142.9 | 170.4 | -22.1 | 31.7 | 0 | 0 | 0 | 110.7 | W210 D218 S219 L220 | W210-P216 HydrophobicContact CZ2-CG 4.04Å; P216-D218 PolarHBondContact O-N 3.09Å; P216-S219 WeakPolarHBondContact CG-OG 3.27Å; P216-S219 WeakPolarHBondContact O-CB 3.49Å; P216-S219 PolarHBondContact O-N 3.15Å; P216-L220 PolarHBondContact O-N 3.44Å | ||
| 217 | L | 65.1 | Low | 80.3 | Confident | 156 Ų | 156 | 52.3 Ų | 52.3 | 82% | 0.817 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -37.7 | 175.7 | -79.7 | 157.8 | 0 | 0 | 0 | 111.4 | S219 L220 | L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 2.98Å; L217-L220 PolarHBondContact O-N 2.9Å |
| 218 | D | 64.1 | Low | 80.1 | Confident | 82 Ų | 82 | 54.8 Ų | 54.8 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -63.4 | -38.1 | 177.2 | -56.8 | -18.7 | 0 | 0 | 0 | 111.3 | P216 L220 G221 C222 | P216-D218 PolarHBondContact O-N 3.09Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.41Å; D218-G221 PolarHBondContact O-N 2.85Å; D218-C222 PolarHBondContact O-SG 2.85Å |
| 219 | S | 61.8 | Low | 80.1 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -71.8 | -23.5 | -179.5 | -54.3 | 0 | 0 | 0 | 0 | 114 | P216 L217 G221 | P216-S219 WeakPolarHBondContact CG-OG 3.27Å; P216-S219 WeakPolarHBondContact O-CB 3.49Å; P216-S219 PolarHBondContact O-N 3.15Å; L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 2.98Å; S219-G221 VanDerWaalsContact C-N 3.27Å; S219-G221 PolarHBondContact O-N 2.9Å |
| 220 | L | 63.6 | Low | 80.2 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 56% | 0.56 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -79.1 | -8.8 | -179.7 | -76.2 | 155.4 | 0 | 0 | 0 | 113.2 | A215 P216 L217 D218 | A215-L220 HydrophobicContact CB-CD1 4.14Å; A215-L220 HydrophobicContact CB-CD2 4.36Å; A215-L220 HydrophobicContact CB-CG 4.02Å; P216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 2.9Å; D218-L220 VanDerWaalsContact C-N 3.34Å; D218-L220 PolarHBondContact O-N 3.41Å |
| 221 | G | 66.1 | Low | 80.4 | Confident | 55 Ų | 55 | 54.9 Ų | 54.9 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -124 | 3.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D218 S219 Q223 | D218-G221 PolarHBondContact O-N 2.85Å; S219-G221 VanDerWaalsContact C-N 3.27Å; S219-G221 PolarHBondContact O-N 2.9Å; G221-Q223 PolarHBondContact O-N 2.9Å |
| 222 | C | 79.7 | Confident | 81 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 5% | 0.054 | 36% | 0.361 | C | S | . | . | trans | -61.7 | 126.6 | -176.9 | -65.1 | 0 | 0 | 0 | 0 | 111.7 | D218 Y224 E287 | D218-C222 PolarHBondContact O-SG 2.85Å; C222-Y224 HydrophobicContact CB-CE2 3.93Å; C222-E287 HydrophobicContact CB-CG 4.25Å; C222-E287 PolarHBondContact SG-OE1 2.76Å | ||
| 223 | Q | 90.8 | Very high | 81.7 | Confident | 109 Ų | 109 | 53.6 Ų | 53.6 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.2 | 166.9 | -67.7 | -172.3 | 0.9 | 0 | 0 | 109.7 | G221 E288 | G221-Q223 PolarHBondContact O-N 2.9Å; Q223-E288 HydrophobicContact CB-CB 4.43Å; Q223-E288 PolarHBondContact N-O 3.46Å; Q223-E288 WeakPolarHBondContact O-CB 3.29Å; Q223-E288 PolarHBondContact O-N 2.77Å |
| 224 | Y | 94.6 | Very high | 82.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.4 | -179.6 | -61.7 | -93.6 | 0 | 0 | 0 | 110.2 | I141 V144 N145 A148 Q153 F154 C222 V262 V285 Y286 E287 | I141-Y224 VanDerWaalsContact CG2-O 3.31Å; I141-Y224 WeakPolarHBondContact CG2-O 3.44Å; V144-Y224 HydrophobicContact CG1-CD1 4.03Å; V144-Y224 HydrophobicContact CG1-CD2 3.58Å; V144-Y224 HydrophobicContact CG1-CE1 4.49Å; V144-Y224 HydrophobicContact CG1-CE2 4.11Å; V144-Y224 HydrophobicContact CG1-CG 3.54Å; N145-Y224 PolarHBondContact ND2-O 2.87Å; N145-Y224 PolarHBondContact OD1-N 3.35Å; A148-Y224 HydrophobicContact CB-CD2 4.09Å; A148-Y224 HydrophobicContact CB-CE2 3.68Å; Q153-Y224 WeakPolarHBondContact CG-OH 3.34Å; F154-Y224 HydrophobicContact CB-CD1 4.31Å; F154-Y224 HydrophobicContact CB-CE1 3.64Å; F154-Y224 HydrophobicContact CB-CE2 4.31Å; F154-Y224 HydrophobicContact CD1-CD1 4.24Å; F154-Y224 HydrophobicContact CD1-CE1 4.02Å; F154-Y224 HydrophobicContact CG-CE1 4.29Å; F154-Y224 PolarHBondContact N-OH 2.8Å; C222-Y224 HydrophobicContact CB-CE2 3.93Å; Y224-V262 HydrophobicContact CD1-CG2 4.25Å; Y224-V262 HydrophobicContact CE1-CG2 4.28Å; Y224-V285 HydrophobicContact CD1-CG1 4.18Å; Y224-Y286 CarbonylContact C-O 3.57Å; Y224-Y286 WeakPolarHBondContact CA-O 3.33Å; Y224-E287 HydrophobicContact CD1-CB 4.06Å; Y224-E287 HydrophobicContact CD1-CG 4.29Å; Y224-E287 HydrophobicContact CE1-CB 3.81Å; Y224-E287 HydrophobicContact CE1-CG 3.71Å |
| 225 | H | 94.9 | Very high | 83.3 | Confident | 43 Ų | 43 | 53.2 Ų | 53.2 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.8 | -174.6 | -59.9 | -79.9 | 0 | 0 | 0 | 110.4 | W259 Y286 E288 | H225-W259 HydrophobicContact CB-CD2 4.46Å; H225-W259 HydrophobicContact CB-CE3 3.8Å; H225-W259 HydrophobicContact CB-CH2 3.91Å; H225-W259 HydrophobicContact CB-CZ3 3.5Å; H225-W259 VanDerWaalsContact CB-CZ3 3.5Å; H225-W259 AromaticContact CD2-CD2 3.83Å; H225-W259 AromaticContact CD2-CE2 3.64Å; H225-W259 AromaticContact CD2-CH2 3.96Å; H225-W259 AromaticContact CD2-CZ2 3.72Å; H225-W259 AromaticContact CE1-CZ2 3.91Å; H225-W259 AromaticContact CG-CH2 3.61Å; H225-W259 AromaticContact CG-CZ2 3.84Å; H225-W259 AromaticContact CG-CZ3 3.7Å; H225-W259 AromaticContact ND1-CH2 3.77Å; H225-W259 AromaticContact ND1-CZ2 3.97Å; H225-W259 AromaticContact NE2-CE2 3.87Å; H225-W259 AromaticContact NE2-CZ2 3.76Å; H225-Y286 PolarHBondContact N-O 2.77Å; H225-Y286 PolarHBondContact O-N 2.89Å; H225-E288 IonicContact CD2-OE2 2.77Å; H225-E288 IonicContact CE1-OE2 3.99Å; H225-E288 IonicContact NE2-OE2 3.78Å; H225-E288 PolarHBondContact NE2-OE2 2.85Å |
| 226 | Q | 94.8 | Very high | 84 | Confident | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 142.4 | 169.1 | 61.8 | -179 | 33.2 | 0 | 0 | 110.9 | V137 I141 L283 | V137-Q226 HydrophobicContact CG1-CB 4.06Å; I141-Q226 HydrophobicContact CG1-CB 4.13Å; Q226-L283 HydrophobicContact CB-CD1 3.7Å |
| 227 | G | 93.4 | Very high | 84.5 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y254 F284 | G227-Y254 VanDerWaalsContact CA-OH 3.28Å; G227-Y254 WeakPolarHBondContact CA-OH 3.39Å; G227-F284 PolarHBondContact N-O 3.34Å; G227-F284 PolarHBondContact O-N 3.06Å |
| 228 | A | 90.8 | Very high | 85.2 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y254 | A228-Y254 PolarHBondContact N-OH 3.35Å |
| 229 | L | 94 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 106 | 167.6 | 166.6 | 55.3 | 0 | 0 | 0 | 107.7 | M231 W247 L250 V266 E281 G282 F284 L334 | L229-M231 HydrophobicContact CD1-CG 3.52Å; L229-M231 HydrophobicContact CD1-SD 3.72Å; L229-M231 HydrophobicContact CD2-SD 4.3Å; L229-M231 HydrophobicContact CG-CG 4.12Å; L229-M231 HydrophobicContact CG-SD 4.15Å; L229-W247 HydrophobicContact CD1-CZ3 4Å; L229-L250 HydrophobicContact CD1-CD1 4.17Å; L229-V266 HydrophobicContact CD2-CG2 3.57Å; L229-E281 CarbonylContact O-C 3.58Å; L229-E281 WeakPolarHBondContact O-CA 3.22Å; L229-G282 PolarHBondContact N-O 2.66Å; L229-G282 VanDerWaalsContact N-O 3.14Å; L229-G282 PolarHBondContact O-N 3.03Å; L229-F284 HydrophobicContact CB-CD1 4.39Å; L229-F284 HydrophobicContact CB-CD2 3.87Å; L229-F284 HydrophobicContact CB-CE1 4.43Å; L229-F284 HydrophobicContact CB-CE2 3.93Å; L229-F284 HydrophobicContact CB-CG 4.13Å; L229-F284 HydrophobicContact CB-CZ 4.22Å; L229-F284 HydrophobicContact CD1-CE1 4.28Å; L229-F284 HydrophobicContact CD1-CE2 3.73Å; L229-F284 HydrophobicContact CD1-CZ 3.59Å; L229-F284 HydrophobicContact CD2-CD1 4.24Å; L229-F284 HydrophobicContact CD2-CE1 3.82Å; L229-F284 HydrophobicContact CD2-CZ 4.01Å; L229-F284 HydrophobicContact CG-CE1 4.4Å; L229-F284 HydrophobicContact CG-CE2 4.27Å; L229-F284 HydrophobicContact CG-CZ 4.14Å; L229-L334 HydrophobicContact CD2-CD1 4.41Å; L229-L334 HydrophobicContact CD2-CD2 4.16Å |
| 230 | S | 92.5 | Very high | 87.3 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.9 | 175.4 | -171 | 0 | 0 | 0 | 0 | 109.6 | E281 | S230-E281 WeakPolarHBondContact CB-OE1 3.37Å; S230-E281 WeakPolarHBondContact CB-OE2 3.33Å; S230-E281 PolarHBondContact OG-OE1 3.08Å |
| 231 | M | 94.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146.5 | -177.2 | -48.8 | 179.3 | -63.1 | 0 | 0 | 111.2 | L229 L243 A245 W247 V266 W268 S279 L280 L334 | L229-M231 HydrophobicContact CD1-CG 3.52Å; L229-M231 HydrophobicContact CD1-SD 3.72Å; L229-M231 HydrophobicContact CD2-SD 4.3Å; L229-M231 HydrophobicContact CG-CG 4.12Å; L229-M231 HydrophobicContact CG-SD 4.15Å; M231-L243 HydrophobicContact CB-CD1 3.6Å; M231-L243 HydrophobicContact CB-CG 4.31Å; M231-L243 HydrophobicContact CE-CD1 3.76Å; M231-L243 HydrophobicContact CE-CD2 4.16Å; M231-L243 HydrophobicContact CE-CG 4.46Å; M231-L243 HydrophobicContact CG-CD1 4.27Å; M231-L243 HydrophobicContact SD-CD1 3.76Å; M231-L243 HydrophobicContact SD-CD2 3.63Å; M231-L243 HydrophobicContact SD-CG 3.92Å; M231-A245 HydrophobicContact CB-CB 4.31Å; M231-A245 HydrophobicContact CG-CB 3.99Å; M231-W247 HydrophobicContact CG-CH2 4.19Å; M231-W247 HydrophobicContact CG-CZ3 4.25Å; M231-W247 HydrophobicContact SD-CH2 3.54Å; M231-W247 VanDerWaalsContact SD-CH2 3.54Å; M231-W247 HydrophobicContact SD-CZ3 3.79Å; M231-V266 HydrophobicContact CE-CG1 4.35Å; M231-V266 HydrophobicContact CE-CG2 4.39Å; M231-W268 HydrophobicContact CE-CH2 3.59Å; M231-W268 HydrophobicContact CE-CZ2 3.98Å; M231-W268 HydrophobicContact CE-CZ3 4.35Å; M231-S279 WeakPolarHBondContact O-CA 3.47Å; M231-L280 HydrophobicContact CE-CD2 4.15Å; M231-L280 PolarHBondContact N-O 2.84Å; M231-L280 PolarHBondContact O-N 3.21Å; M231-L334 HydrophobicContact SD-CD2 3.98Å |
| 232 | R | 93.9 | Very high | 89.6 | Confident | 164 Ų | 164 | 55.8 Ų | 55.8 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.9 | 170.3 | -177.7 | -178.3 | -61.1 | -157.1 | 2.2 | 109.9 | L243 E244 R278 | R232-L243 WeakPolarHBondContact O-CA 3.35Å; R232-E244 HydrophobicContact CB-CB 4.26Å; R232-E244 PolarHBondContact N-O 2.82Å; R232-E244 PolarHBondContact O-N 2.86Å; R232-R278 WeakPolarHBondContact CA-O 3.43Å |
| 233 | V | 92.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.5 | -179 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | V240 L243 V276 P277 R278 L280 | V233-V240 HydrophobicContact CG1-CB 4.41Å; V233-V240 HydrophobicContact CG1-CG1 3.7Å; V233-V240 HydrophobicContact CG1-CG2 3.95Å; V233-L243 HydrophobicContact CG2-CD1 4.04Å; V233-V276 HydrophobicContact CG1-CG1 4.18Å; V233-V276 HydrophobicContact CG2-CG1 4.43Å; V233-P277 WeakPolarHBondContact CB-O 3.44Å; V233-R278 PolarHBondContact N-O 3.12Å; V233-L280 HydrophobicContact CG2-CB 3.73Å; V233-L280 HydrophobicContact CG2-CD2 4.42Å |
| 234 | S | 91.3 | Very high | 90.3 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.2 | 171 | -73.1 | 0 | 0 | 0 | 0 | 109.5 | T241 A242 | S234-T241 PolarHBondContact O-N 2.8Å; S234-T241 PolarHBondContact O-OG1 3.22Å; S234-A242 PolarHBondContact N-O 2.8Å; S234-A242 PolarHBondContact O-N 3.43Å |
| 235 | R | 88 | Confident | 90.2 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.5 | -174.8 | 69.5 | -174 | -171.4 | -165.3 | 7.9 | 113 | V239 P275 V276 | R235-V239 CarbonylContact C-O 3.58Å; R235-V239 VanDerWaalsContact CA-O 3.24Å; R235-V239 WeakPolarHBondContact CA-O 3.31Å; R235-V239 WeakPolarHBondContact CB-O 3.2Å; R235-P275 VanDerWaalsContact CZ-CB 3.5Å; R235-P275 VanDerWaalsContact CZ-CG 3.44Å; R235-P275 VanDerWaalsContact NH1-CB 3.27Å; R235-P275 VanDerWaalsContact NH1-CG 3.34Å; R235-P275 PolarHBondContact NH1-O 3.1Å; R235-V276 PolarHBondContact NH1-O 3.4Å |
| 236 | K | 86 | Confident | 90.1 | Very high | 165 Ų | 165 | 59.1 Ų | 59.1 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 98.8 | 166.6 | -69.6 | -178.8 | -171.4 | 169.7 | 0 | 108.2 | Q238 V239 T241 | K236-Q238 PolarHBondContact O-N 3.02Å; K236-V239 PolarHBondContact N-O 3.13Å; K236-V239 PolarHBondContact O-N 3.39Å; K236-T241 HydrophobicContact CB-CG2 3.9Å; K236-T241 HydrophobicContact CD-CG2 3.95Å; K236-T241 HydrophobicContact CG-CG2 3.77Å |
| 237 | G | 83.2 | Confident | 90 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | -120.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 238 | Q | 78.4 | Confident | 89.9 | Confident | 122 Ų | 122 | 56 Ų | 56 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -9.9 | 178.1 | -64.7 | -64.6 | -23.7 | 0 | 0 | 113.3 | K236 | K236-Q238 PolarHBondContact O-N 3.02Š|
| 239 | V | 82.5 | Confident | 89.9 | Confident | 86 Ų | 86 | 60.1 Ų | 60.1 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 127 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 110.1 | R235 K236 | R235-V239 CarbonylContact C-O 3.58Å; R235-V239 VanDerWaalsContact CA-O 3.24Å; R235-V239 WeakPolarHBondContact CA-O 3.31Å; R235-V239 WeakPolarHBondContact CB-O 3.2Å; K236-V239 PolarHBondContact N-O 3.13Å; K236-V239 PolarHBondContact O-N 3.39Å |
| 240 | V | 87.8 | Confident | 89.8 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.7 | 171.1 | 179 | 0 | 0 | 0 | 0 | 108.8 | L85 V233 V276 P337 I338 | L85-V240 HydrophobicContact CD1-CG2 4.42Å; V233-V240 HydrophobicContact CG1-CB 4.41Å; V233-V240 HydrophobicContact CG1-CG1 3.7Å; V233-V240 HydrophobicContact CG1-CG2 3.95Å; V240-V276 HydrophobicContact CG2-CB 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.07Å; V240-P337 HydrophobicContact CB-CG 4.06Å; V240-P337 HydrophobicContact CG1-CG 4.15Å; V240-P337 HydrophobicContact CG2-CG 4.1Å; V240-I338 HydrophobicContact CG1-CG1 4.04Å |
| 241 | T | 88.1 | Confident | 89.7 | Confident | 38 Ų | 38 | 60 Ų | 60 | 23% | 0.233 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -26.9 | -174 | 55.8 | 0 | 0 | 0 | 0 | 114 | S234 K236 | S234-T241 PolarHBondContact O-N 2.8Å; S234-T241 PolarHBondContact O-OG1 3.22Å; K236-T241 HydrophobicContact CB-CG2 3.9Å; K236-T241 HydrophobicContact CD-CG2 3.95Å; K236-T241 HydrophobicContact CG-CG2 3.77Å |
| 242 | A | 90.2 | Very high | 89.4 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 26% | 0.264 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 155.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | S234 | S234-A242 PolarHBondContact N-O 2.8Å; S234-A242 PolarHBondContact O-N 3.43Å |
| 243 | L | 92.6 | Very high | 89.1 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 127.9 | 179.1 | -175 | 69.6 | 0 | 0 | 0 | 107.6 | M231 R232 V233 W247 W268 T336 I338 | M231-L243 HydrophobicContact CB-CD1 3.6Å; M231-L243 HydrophobicContact CB-CG 4.31Å; M231-L243 HydrophobicContact CE-CD1 3.76Å; M231-L243 HydrophobicContact CE-CD2 4.16Å; M231-L243 HydrophobicContact CE-CG 4.46Å; M231-L243 HydrophobicContact CG-CD1 4.27Å; M231-L243 HydrophobicContact SD-CD1 3.76Å; M231-L243 HydrophobicContact SD-CD2 3.63Å; M231-L243 HydrophobicContact SD-CG 3.92Å; R232-L243 WeakPolarHBondContact O-CA 3.35Å; V233-L243 HydrophobicContact CG2-CD1 4.04Å; L243-W247 HydrophobicContact CD2-CH2 3.89Å; L243-W247 HydrophobicContact CD2-CZ2 4.27Å; L243-W247 HydrophobicContact CG-CH2 4.28Å; L243-W247 HydrophobicContact CG-CZ2 4.46Å; L243-W268 HydrophobicContact CD1-CH2 4.06Å; L243-W268 HydrophobicContact CD1-CZ3 4.45Å; L243-W268 HydrophobicContact CD2-CH2 3.98Å; L243-T336 HydrophobicContact CD2-CG2 3.79Å; L243-I338 HydrophobicContact CB-CD1 3.83Å |
| 244 | E | 91.8 | Very high | 88.9 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129 | -177.4 | -68 | 168.9 | -165.5 | 0 | 0 | 109.7 | R232 | R232-E244 HydrophobicContact CB-CB 4.26Å; R232-E244 PolarHBondContact N-O 2.82Å; R232-E244 PolarHBondContact O-N 2.86Å |
| 245 | A | 92.9 | Very high | 88.8 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | trans | -154.5 | 151.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | M231 W247 L250 | M231-A245 HydrophobicContact CB-CB 4.31Å; M231-A245 HydrophobicContact CG-CB 3.99Å; A245-W247 VanDerWaalsContact C-N 3.32Å; A245-W247 HydrophobicContact CB-CD2 3.95Å; A245-W247 HydrophobicContact CB-CE3 3.81Å; A245-W247 HydrophobicContact CB-CH2 3.79Å; A245-W247 HydrophobicContact CB-CZ2 3.91Å; A245-W247 HydrophobicContact CB-CZ3 3.74Å; A245-W247 PolarHBondContact O-N 3.23Å; A245-W247 VanDerWaalsContact O-N 3.12Å; A245-L250 HydrophobicContact CB-CD1 3.92Å | ||
| 246 | D | 92.3 | Very high | 88.6 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | trans | -82.7 | 84.6 | 167.6 | -165.6 | -34.8 | 0 | 0 | 0 | 108.9 | L248 E249 L250 | D246-L248 PolarHBondContact O-N 3.43Å; D246-L248 PolarHBondContact OD1-N 3Å; D246-E249 HydrophobicContact CB-CB 3.86Å; D246-E249 PolarHBondContact O-N 2.95Å; D246-E249 WeakPolarHBondContact OD1-CB 3.4Å; D246-E249 PolarHBondContact OD1-N 2.83Å; D246-L250 WeakPolarHBondContact O-CB 3.47Å; D246-L250 VanDerWaalsContact O-CG 3.24Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 3.4Å | ||
| 247 | W | 93.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.1 | -35.2 | -174.6 | -51 | 113.7 | 0 | 0 | 0 | 113.1 | Y20 L229 M231 L243 A245 T251 V300 E302 L334 V352 F354 | Y20-W247 AromaticContact CD2-CD1 3.89Å; Y20-W247 AromaticContact CE2-CD1 3.69Å; L229-W247 HydrophobicContact CD1-CZ3 4Å; M231-W247 HydrophobicContact CG-CH2 4.19Å; M231-W247 HydrophobicContact CG-CZ3 4.25Å; M231-W247 HydrophobicContact SD-CH2 3.54Å; M231-W247 VanDerWaalsContact SD-CH2 3.54Å; M231-W247 HydrophobicContact SD-CZ3 3.79Å; L243-W247 HydrophobicContact CD2-CH2 3.89Å; L243-W247 HydrophobicContact CD2-CZ2 4.27Å; L243-W247 HydrophobicContact CG-CH2 4.28Å; L243-W247 HydrophobicContact CG-CZ2 4.46Å; A245-W247 VanDerWaalsContact C-N 3.32Å; A245-W247 HydrophobicContact CB-CD2 3.95Å; A245-W247 HydrophobicContact CB-CE3 3.81Å; A245-W247 HydrophobicContact CB-CH2 3.79Å; A245-W247 HydrophobicContact CB-CZ2 3.91Å; A245-W247 HydrophobicContact CB-CZ3 3.74Å; A245-W247 PolarHBondContact O-N 3.23Å; A245-W247 VanDerWaalsContact O-N 3.12Å; W247-T251 WeakPolarHBondContact O-CG2 3.22Å; W247-T251 PolarHBondContact O-N 3.39Å; W247-T251 PolarHBondContact O-OG1 2.83Å; W247-V300 HydrophobicContact CB-CB 4.14Å; W247-V300 HydrophobicContact CB-CG1 3.74Å; W247-V300 HydrophobicContact CB-CG2 4.02Å; W247-V300 HydrophobicContact CG-CG1 3.88Å; W247-E302 PolarHBondContact NE1-OE1 3.08Å; W247-L334 HydrophobicContact CH2-CD2 4.03Å; W247-L334 HydrophobicContact CZ3-CD2 3.9Å; W247-V352 HydrophobicContact CD2-CG1 4.12Å; W247-V352 HydrophobicContact CE3-CG1 4.42Å; W247-V352 HydrophobicContact CG-CG1 4.5Å; W247-V352 HydrophobicContact CH2-CG2 4.06Å; W247-V352 HydrophobicContact CZ2-CG1 4.4Å; W247-V352 HydrophobicContact CZ2-CG2 3.82Å; W247-F354 HydrophobicContact CB-CE1 4.36Å; W247-F354 AromaticContact CE3-CZ 3.96Å; W247-F354 HydrophobicContact CE3-CZ 3.96Å |
| 248 | L | 91.8 | Very high | 88.6 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.5 | -45 | 179.8 | -65.3 | -176 | 0 | 0 | 0 | 110.4 | T22 D246 T251 A252 T298 V300 | T22-L248 HydrophobicContact CG2-CD1 4.48Å; T22-L248 HydrophobicContact CG2-CD2 4.38Å; D246-L248 PolarHBondContact O-N 3.43Å; D246-L248 PolarHBondContact OD1-N 3Å; L248-T251 PolarHBondContact O-N 3.01Å; L248-T251 PolarHBondContact O-OG1 3.47Å; L248-A252 WeakPolarHBondContact O-CA 3.19Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 2.78Å; L248-T298 HydrophobicContact CD2-CG2 3.71Å; L248-V300 HydrophobicContact CD2-CG2 3.88Å |
| 249 | E | 91.5 | Very high | 89.1 | Confident | 141 Ų | 141 | 50 Ų | 50 | 66% | 0.659 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 178.2 | -172.1 | 176.6 | -165.5 | 0 | 0 | 111.9 | D246 T251 A252 | D246-E249 HydrophobicContact CB-CB 3.86Å; D246-E249 PolarHBondContact O-N 2.95Å; D246-E249 WeakPolarHBondContact OD1-CB 3.4Å; D246-E249 PolarHBondContact OD1-N 2.83Å; E249-T251 PolarHBondContact O-N 2.88Å; E249-A252 PolarHBondContact O-N 3.21Å |
| 250 | L | 90.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.2 | -34.7 | 178.8 | -76 | 173.4 | 0 | 0 | 0 | 112.7 | L229 A245 D246 Y254 F284 | L229-L250 HydrophobicContact CD1-CD1 4.17Å; A245-L250 HydrophobicContact CB-CD1 3.92Å; D246-L250 WeakPolarHBondContact O-CB 3.47Å; D246-L250 VanDerWaalsContact O-CG 3.24Å; D246-L250 WeakPolarHBondContact O-CG 3.4Å; D246-L250 PolarHBondContact O-N 3.4Å; L250-Y254 WeakPolarHBondContact O-CD2 3.41Å; L250-Y254 WeakPolarHBondContact O-CE2 3.38Å; L250-F284 HydrophobicContact CB-CE2 4.49Å |
| 251 | T | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -97.4 | -24.3 | -176 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | W247 L248 E249 A253 Y254 Y255 F284 F354 | W247-T251 WeakPolarHBondContact O-CG2 3.22Å; W247-T251 PolarHBondContact O-N 3.39Å; W247-T251 PolarHBondContact O-OG1 2.83Å; L248-T251 PolarHBondContact O-N 3.01Å; L248-T251 PolarHBondContact O-OG1 3.47Å; E249-T251 PolarHBondContact O-N 2.88Å; T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 3.36Å; T251-Y254 PolarHBondContact O-N 2.94Å; T251-Y255 HydrophobicContact CG2-CE2 4.25Å; T251-Y255 PolarHBondContact O-N 2.92Å; T251-Y255 VanDerWaalsContact OG1-CE2 3.29Å; T251-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; T251-F284 HydrophobicContact CG2-CE2 4.21Å; T251-F354 HydrophobicContact CG2-CD1 4.49Å; T251-F354 HydrophobicContact CG2-CE1 4.21Å |
| 252 | A | 88.3 | Confident | 90 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 26% | 0.264 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.4 | -37.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L248 E249 Y254 R256 | L248-A252 WeakPolarHBondContact O-CA 3.19Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 2.78Å; E249-A252 PolarHBondContact O-N 3.21Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.03Å; A252-R256 WeakPolarHBondContact O-CB 3.03Å; A252-R256 VanDerWaalsContact O-CG 3.28Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 3Å; A252-R256 PolarHBondContact O-NE 3.26Å |
| 253 | A | 87.7 | Confident | 90.3 | Very high | 38 Ų | 38 | 45 Ų | 45 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.3 | -34.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T251 K257 | T251-A253 VanDerWaalsContact C-N 3.34Å; T251-A253 PolarHBondContact O-N 3.36Å; A253-K257 WeakPolarHBondContact O-CG 3.18Å |
| 254 | Y | 88.9 | Confident | 90.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -80.4 | -41 | -179.6 | -59.8 | -76.9 | 0 | 0 | 0 | 111.5 | G227 A228 L250 T251 A252 R256 K257 G258 W259 Y286 | G227-Y254 VanDerWaalsContact CA-OH 3.28Å; G227-Y254 WeakPolarHBondContact CA-OH 3.39Å; A228-Y254 PolarHBondContact N-OH 3.35Å; L250-Y254 WeakPolarHBondContact O-CD2 3.41Å; L250-Y254 WeakPolarHBondContact O-CE2 3.38Å; T251-Y254 PolarHBondContact O-N 2.94Å; A252-Y254 VanDerWaalsContact C-N 3.31Å; A252-Y254 PolarHBondContact O-N 3.03Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.21Å; Y254-K257 WeakPolarHBondContact O-CB 3.37Å; Y254-K257 PolarHBondContact O-N 3.01Å; Y254-G258 PolarHBondContact O-N 3.16Å; Y254-W259 AromaticContact CD1-CE3 3.58Å; Y254-W259 HydrophobicContact CD1-CE3 3.58Å; Y254-W259 AromaticContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CE1-CE3 4.42Å; Y254-W259 HydrophobicContact CE1-CZ3 4.05Å; Y254-W259 HydrophobicContact CG-CE3 4.43Å; Y254-W259 PolarHBondContact O-N 2.87Å; Y254-Y286 VanDerWaalsContact CB-CE1 3.44Å; Y254-Y286 HydrophobicContact CD1-CD2 4.15Å; Y254-Y286 HydrophobicContact CD1-CE2 4.09Å; Y254-Y286 HydrophobicContact CD2-CD2 4.5Å; Y254-Y286 HydrophobicContact CD2-CE1 4.21Å; Y254-Y286 AromaticContact CD2-CE2 3.67Å; Y254-Y286 HydrophobicContact CD2-CE2 3.67Å; Y254-Y286 AromaticContact CD2-CZ 3.49Å; Y254-Y286 VanDerWaalsContact CD2-CZ 3.49Å; Y254-Y286 WeakPolarHBondContact CD2-OH 3.24Å; Y254-Y286 HydrophobicContact CE1-CE2 4.42Å; Y254-Y286 HydrophobicContact CE2-CE2 4.05Å; Y254-Y286 HydrophobicContact CG-CD1 4.33Å; Y254-Y286 HydrophobicContact CG-CD2 4.09Å; Y254-Y286 AromaticContact CG-CE1 3.95Å; Y254-Y286 HydrophobicContact CG-CE1 3.95Å; Y254-Y286 AromaticContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CG 4.39Å; Y254-Y286 AromaticContact CG-CZ 3.61Å |
| 255 | Y | 87.9 | Confident | 90.3 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.7 | -63.5 | -14.1 | 0 | 0 | 0 | 111.4 | T251 K257 G258 W259 L261 Y286 N296 T298 Q356 | T251-Y255 HydrophobicContact CG2-CE2 4.25Å; T251-Y255 PolarHBondContact O-N 2.92Å; T251-Y255 VanDerWaalsContact OG1-CE2 3.29Å; T251-Y255 WeakPolarHBondContact OG1-CE2 3.11Å; Y255-K257 PolarHBondContact O-N 2.96Å; Y255-K257 VanDerWaalsContact O-N 3.13Å; Y255-G258 WeakPolarHBondContact O-CA 3.35Å; Y255-G258 PolarHBondContact O-N 3Å; Y255-W259 WeakPolarHBondContact CD1-O 3.5Å; Y255-L261 HydrophobicContact CE1-CB 4.01Å; Y255-L261 WeakPolarHBondContact OH-CB 3.2Å; Y255-Y286 HydrophobicContact CD1-CE1 4.15Å; Y255-Y286 HydrophobicContact CE1-CD1 4.32Å; Y255-Y286 AromaticContact CE1-CE1 3.73Å; Y255-Y286 HydrophobicContact CE1-CE1 3.73Å; Y255-N296 PolarHBondContact O-OD1 3.08Å; Y255-T298 HydrophobicContact CD2-CG2 3.92Å; Y255-T298 HydrophobicContact CE2-CG2 3.9Å; Y255-T298 WeakPolarHBondContact CE2-OG1 3.33Å; Y255-Q356 VanDerWaalsContact CE1-CD 3.43Å; Y255-Q356 VanDerWaalsContact CZ-CD 3.46Å |
| 256 | R | 84.4 | Confident | 90.2 | Very high | 158 Ų | 158 | 39.8 Ų | 39.8 | 60% | 0.596 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -25.8 | 173.8 | -82.1 | -176.5 | -65.8 | 148.7 | -7.1 | 114.3 | A252 Y254 G258 N296 | A252-R256 WeakPolarHBondContact O-CB 3.03Å; A252-R256 VanDerWaalsContact O-CG 3.28Å; A252-R256 WeakPolarHBondContact O-CG 3.49Å; A252-R256 PolarHBondContact O-N 3Å; A252-R256 PolarHBondContact O-NE 3.26Å; Y254-R256 VanDerWaalsContact C-N 3.3Å; Y254-R256 PolarHBondContact O-N 3.21Å; R256-G258 VanDerWaalsContact C-N 3.29Å; R256-N296 WeakPolarHBondContact CA-OD1 3.38Å; R256-N296 VanDerWaalsContact CG-ND2 3.29Å; R256-N296 WeakPolarHBondContact CG-ND2 3.44Å; R256-N296 PolarHBondContact N-OD1 2.98Å; R256-N296 VanDerWaalsContact N-OD1 3.08Å |
| 257 | K | 84.9 | Confident | 89.8 | Confident | 115 Ų | 115 | 36.9 Ų | 36.9 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7 | 174.2 | -65.8 | 177.1 | -179.7 | -178.4 | 0 | 113.2 | A253 Y254 Y255 W259 | A253-K257 WeakPolarHBondContact O-CG 3.18Å; Y254-K257 WeakPolarHBondContact O-CB 3.37Å; Y254-K257 PolarHBondContact O-N 3.01Å; Y255-K257 PolarHBondContact O-N 2.96Å; Y255-K257 VanDerWaalsContact O-N 3.13Å; K257-W259 HydrophobicContact CB-CD2 4.16Å; K257-W259 HydrophobicContact CB-CG 4.26Å; K257-W259 HydrophobicContact CD-CD2 4.4Å; K257-W259 HydrophobicContact CD-CE3 4.43Å; K257-W259 HydrophobicContact CD-CH2 3.98Å; K257-W259 HydrophobicContact CD-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CZ3 4.23Å |
| 258 | G | 83.3 | Confident | 89.2 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 13% | 0.134 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 16.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y254 Y255 R256 P294 | Y254-G258 PolarHBondContact O-N 3.16Å; Y255-G258 WeakPolarHBondContact O-CA 3.35Å; Y255-G258 PolarHBondContact O-N 3Å; R256-G258 VanDerWaalsContact C-N 3.29Å; G258-P294 VanDerWaalsContact CA-CG 3.45Å |
| 259 | W | 88.7 | Confident | 88.4 | Confident | 34 Ų | 34 | 37.9 Ų | 37.9 | 13% | 0.129 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 141 | 177.2 | -51.9 | -15.9 | 0 | 0 | 0 | 110.3 | H225 Y254 Y255 K257 Y286 E287 E288 | H225-W259 HydrophobicContact CB-CD2 4.46Å; H225-W259 HydrophobicContact CB-CE3 3.8Å; H225-W259 HydrophobicContact CB-CH2 3.91Å; H225-W259 HydrophobicContact CB-CZ3 3.5Å; H225-W259 VanDerWaalsContact CB-CZ3 3.5Å; H225-W259 AromaticContact CD2-CD2 3.83Å; H225-W259 AromaticContact CD2-CE2 3.64Å; H225-W259 AromaticContact CD2-CH2 3.96Å; H225-W259 AromaticContact CD2-CZ2 3.72Å; H225-W259 AromaticContact CE1-CZ2 3.91Å; H225-W259 AromaticContact CG-CH2 3.61Å; H225-W259 AromaticContact CG-CZ2 3.84Å; H225-W259 AromaticContact CG-CZ3 3.7Å; H225-W259 AromaticContact ND1-CH2 3.77Å; H225-W259 AromaticContact ND1-CZ2 3.97Å; H225-W259 AromaticContact NE2-CE2 3.87Å; H225-W259 AromaticContact NE2-CZ2 3.76Å; Y254-W259 AromaticContact CD1-CE3 3.58Å; Y254-W259 HydrophobicContact CD1-CE3 3.58Å; Y254-W259 AromaticContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CD1-CZ3 3.62Å; Y254-W259 HydrophobicContact CE1-CE3 4.42Å; Y254-W259 HydrophobicContact CE1-CZ3 4.05Å; Y254-W259 HydrophobicContact CG-CE3 4.43Å; Y254-W259 PolarHBondContact O-N 2.87Å; Y255-W259 WeakPolarHBondContact CD1-O 3.5Å; K257-W259 HydrophobicContact CB-CD2 4.16Å; K257-W259 HydrophobicContact CB-CG 4.26Å; K257-W259 HydrophobicContact CD-CD2 4.4Å; K257-W259 HydrophobicContact CD-CE3 4.43Å; K257-W259 HydrophobicContact CD-CH2 3.98Å; K257-W259 HydrophobicContact CD-CZ2 3.94Å; K257-W259 HydrophobicContact CD-CZ3 4.23Å; W259-Y286 HydrophobicContact CB-CD1 4.25Å; W259-Y286 HydrophobicContact CB-CG 4.43Å; W259-E287 CarbonylContact C-O 3.58Å; W259-E287 WeakPolarHBondContact CA-O 3.35Å; W259-E288 HydrophobicContact CG-CB 4.39Å; W259-E288 PolarHBondContact NE1-OE1 3.08Å |
| 260 | S | 90.2 | Very high | 87.2 | Confident | 29 Ų | 29 | 33 Ų | 33 | 20% | 0.203 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 136.1 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | Y286 E287 Q356 | S260-Y286 CarbonylContact O-C 3.6Å; S260-Y286 VanDerWaalsContact O-CA 3.24Å; S260-Y286 WeakPolarHBondContact O-CA 3.4Å; S260-E287 PolarHBondContact N-O 2.84Å; S260-E287 PolarHBondContact O-N 2.91Å; S260-Q356 PolarHBondContact OG-OE1 2.6Å |
| 261 | L | 93.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 137.8 | 169.8 | -179.1 | 65 | 0 | 0 | 0 | 107.9 | Y255 D263 F284 Y286 T331 C332 F354 | Y255-L261 HydrophobicContact CE1-CB 4.01Å; Y255-L261 WeakPolarHBondContact OH-CB 3.2Å; L261-D263 WeakPolarHBondContact CD1-O 3.28Å; L261-F284 HydrophobicContact CD1-CB 3.69Å; L261-F284 HydrophobicContact CD1-CD1 3.54Å; L261-F284 HydrophobicContact CD1-CE1 4.27Å; L261-F284 HydrophobicContact CD1-CG 3.73Å; L261-F284 HydrophobicContact CD2-CD1 4.21Å; L261-F284 HydrophobicContact CD2-CE1 4.11Å; L261-Y286 HydrophobicContact CB-CD1 4.21Å; L261-Y286 HydrophobicContact CB-CE1 3.97Å; L261-Y286 HydrophobicContact CD1-CD1 4.4Å; L261-Y286 HydrophobicContact CD1-CE1 4.07Å; L261-Y286 HydrophobicContact CD1-CE2 4.35Å; L261-T331 WeakPolarHBondContact O-CB 3.32Å; L261-C332 HydrophobicContact CD2-CB 3.66Å; L261-C332 HydrophobicContact CG-CB 3.77Å; L261-F354 HydrophobicContact CD2-CB 3.99Å; L261-F354 HydrophobicContact CD2-CD1 3.77Å; L261-F354 HydrophobicContact CD2-CD2 3.99Å; L261-F354 HydrophobicContact CD2-CE1 4.26Å; L261-F354 HydrophobicContact CD2-CE2 4.44Å; L261-F354 HydrophobicContact CD2-CG 3.64Å |
| 262 | V | 94.1 | Very high | 84.4 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | -29.2 | 177.5 | -68.3 | 0 | 0 | 0 | 0 | 113.3 | F154 Y224 V285 E287 | F154-V262 HydrophobicContact CD1-CG2 3.99Å; F154-V262 HydrophobicContact CE1-CG2 4.1Å; Y224-V262 HydrophobicContact CD1-CG2 4.25Å; Y224-V262 HydrophobicContact CE1-CG2 4.28Å; V262-V285 HydrophobicContact CG2-CB 4.13Å; V262-V285 HydrophobicContact CG2-CG1 3.89Å; V262-V285 WeakPolarHBondContact CG2-O 3.26Å; V262-V285 PolarHBondContact N-O 2.7Å; V262-E287 HydrophobicContact CG1-CB 3.48Å; V262-E287 VanDerWaalsContact CG1-CB 3.48Å; V262-E287 HydrophobicContact CG1-CG 4.46Å; V262-E287 WeakPolarHBondContact CG1-OE2 3.31Å; V262-E287 HydrophobicContact CG2-CB 4.23Å |
| 263 | D | 95.7 | Very high | 83.3 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.4 | 179.2 | -165.7 | 22.2 | 0 | 0 | 0 | 111.6 | F154 S157 L261 V285 | F154-D263 HydrophobicContact CE1-CB 3.63Å; F154-D263 HydrophobicContact CZ-CB 3.99Å; S157-D263 WeakPolarHBondContact CB-OD2 3.33Å; S157-D263 PolarHBondContact N-OD2 3.09Å; S157-D263 PolarHBondContact OG-OD2 3Å; L261-D263 WeakPolarHBondContact CD1-O 3.28Å; D263-V285 HydrophobicContact CB-CB 4.11Å; D263-V285 HydrophobicContact CB-CG2 4.28Å; D263-V285 PolarHBondContact N-O 2.89Å; D263-V285 PolarHBondContact O-N 2.81Å |
| 264 | S | 94.9 | Very high | 82.6 | Confident | 10 Ų | 10 | 49.4 Ų | 49.4 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.5 | 174.3 | 68.6 | 0 | 0 | 0 | 0 | 109.2 | L283 L334 | S264-L283 CarbonylContact C-O 3.53Å; S264-L283 WeakPolarHBondContact CA-O 3.15Å; S264-L334 WeakPolarHBondContact OG-CD1 3.4Å |
| 265 | F | 91.2 | Very high | 82.1 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.9 | -177.2 | -176.8 | -87.8 | 0 | 0 | 0 | 110.3 | P128 L132 L159 L203 Y267 G282 L283 | P128-F265 HydrophobicContact CG-CZ 4.49Å; L132-F265 HydrophobicContact CD1-CD1 3.85Å; L132-F265 HydrophobicContact CD1-CE1 4.22Å; L132-F265 HydrophobicContact CD2-CD1 3.61Å; L132-F265 HydrophobicContact CD2-CE1 3.55Å; L132-F265 HydrophobicContact CG-CD1 4.16Å; L132-F265 HydrophobicContact CG-CE1 4.11Å; L159-F265 HydrophobicContact CD1-CE2 3.86Å; L159-F265 HydrophobicContact CD1-CZ 3.91Å; L159-F265 HydrophobicContact CD2-CE2 3.92Å; L159-F265 HydrophobicContact CD2-CZ 4.13Å; L159-F265 HydrophobicContact CG-CE2 3.71Å; L159-F265 HydrophobicContact CG-CZ 4.16Å; L203-F265 HydrophobicContact CD1-CD2 4.33Å; L203-F265 HydrophobicContact CD1-CE2 3.72Å; F265-Y267 AromaticContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CE1 4.41Å; F265-Y267 AromaticContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CE2 3.45Å; F265-Y267 VanDerWaalsContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CG 4.29Å; F265-Y267 AromaticContact CE1-CZ 3.83Å; F265-Y267 HydrophobicContact CZ-CD1 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.27Å; F265-Y267 HydrophobicContact CZ-CE1 4.01Å; F265-Y267 AromaticContact CZ-CE2 3.76Å; F265-Y267 HydrophobicContact CZ-CE2 3.76Å; F265-Y267 AromaticContact CZ-CZ 3.6Å; F265-G282 WeakPolarHBondContact O-CA 3.44Å; F265-L283 HydrophobicContact CB-CB 4.37Å; F265-L283 PolarHBondContact N-O 2.89Å; F265-L283 PolarHBondContact O-N 2.87Å |
| 266 | V | 89.4 | Confident | 81.8 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | trans | -137.5 | 129.5 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | L229 M231 W268 L280 L334 | L229-V266 HydrophobicContact CD2-CG2 3.57Å; M231-V266 HydrophobicContact CE-CG1 4.35Å; M231-V266 HydrophobicContact CE-CG2 4.39Å; V266-W268 HydrophobicContact CB-CZ2 4.34Å; V266-W268 HydrophobicContact CG1-CD2 3.84Å; V266-W268 HydrophobicContact CG1-CE3 4.41Å; V266-W268 HydrophobicContact CG1-CG 4.13Å; V266-W268 HydrophobicContact CG1-CZ2 3.97Å; V266-W268 VanDerWaalsContact O-CD1 3.28Å; V266-W268 PolarHBondContact O-N 3.12Å; V266-L280 HydrophobicContact CG1-CD2 3.53Å; V266-L280 HydrophobicContact CG1-CG 4.12Å; V266-L334 HydrophobicContact CG2-CD1 3.81Å | ||
| 267 | Y | 83.3 | Confident | 81.9 | Confident | 30 Ų | 30 | 44.2 Ų | 44.2 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | trans | -85.2 | 107.5 | 167.6 | -83.6 | -63.7 | 0 | 0 | 0 | 110.1 | P128 G129 L132 L159 F265 | P128-Y267 WeakPolarHBondContact CD-OH 3.27Å; P128-Y267 HydrophobicContact CG-CE2 3.89Å; P128-Y267 WeakPolarHBondContact CG-OH 3.43Å; G129-Y267 PolarHBondContact O-OH 3.38Å; L132-Y267 HydrophobicContact CD2-CD2 4.29Å; L132-Y267 HydrophobicContact CD2-CE2 4.14Å; L132-Y267 HydrophobicContact CG-CD2 3.86Å; L132-Y267 HydrophobicContact CG-CE2 4.21Å; L159-Y267 HydrophobicContact CD1-CD1 4.15Å; L159-Y267 HydrophobicContact CD1-CE1 3.96Å; F265-Y267 AromaticContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CD2 3.72Å; F265-Y267 HydrophobicContact CE1-CE1 4.41Å; F265-Y267 AromaticContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CE2 3.45Å; F265-Y267 VanDerWaalsContact CE1-CE2 3.45Å; F265-Y267 HydrophobicContact CE1-CG 4.29Å; F265-Y267 AromaticContact CE1-CZ 3.83Å; F265-Y267 HydrophobicContact CZ-CD1 4.49Å; F265-Y267 HydrophobicContact CZ-CD2 4.27Å; F265-Y267 HydrophobicContact CZ-CE1 4.01Å; F265-Y267 AromaticContact CZ-CE2 3.76Å; F265-Y267 HydrophobicContact CZ-CE2 3.76Å; F265-Y267 AromaticContact CZ-CZ 3.6Å | ||
| 268 | W | 80.9 | Confident | 82 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | trans | -93.3 | -22.6 | 179.6 | -63.9 | 96.6 | 0 | 0 | 0 | 113.6 | L83 L85 M231 L243 V266 L280 P337 | L83-W268 HydrophobicContact CD2-CD2 4.2Å; L83-W268 HydrophobicContact CD2-CG 3.81Å; L83-W268 VanDerWaalsContact CD2-NE1 3.33Å; L85-W268 HydrophobicContact CD1-CB 3.96Å; L85-W268 HydrophobicContact CD2-CB 3.18Å; L85-W268 HydrophobicContact CD2-CG 4.17Å; L85-W268 HydrophobicContact CG-CB 4.2Å; M231-W268 HydrophobicContact CE-CH2 3.59Å; M231-W268 HydrophobicContact CE-CZ2 3.98Å; M231-W268 HydrophobicContact CE-CZ3 4.35Å; L243-W268 HydrophobicContact CD1-CH2 4.06Å; L243-W268 HydrophobicContact CD1-CZ3 4.45Å; L243-W268 HydrophobicContact CD2-CH2 3.98Å; V266-W268 HydrophobicContact CB-CZ2 4.34Å; V266-W268 HydrophobicContact CG1-CD2 3.84Å; V266-W268 HydrophobicContact CG1-CE3 4.41Å; V266-W268 HydrophobicContact CG1-CG 4.13Å; V266-W268 HydrophobicContact CG1-CZ2 3.97Å; V266-W268 VanDerWaalsContact O-CD1 3.28Å; V266-W268 PolarHBondContact O-N 3.12Å; W268-L280 HydrophobicContact CD2-CD2 4.04Å; W268-L280 HydrophobicContact CE3-CD2 3.38Å; W268-L280 HydrophobicContact CH2-CD2 4.04Å; W268-L280 HydrophobicContact CZ3-CD2 3.38Å; W268-P337 HydrophobicContact CD2-CG 3.92Å; W268-P337 HydrophobicContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CH2-CD 3.47Å; W268-P337 HydrophobicContact CH2-CG 4.18Å; W268-P337 VanDerWaalsContact CZ3-CD 3.44Å; W268-P337 HydrophobicContact CZ3-CG 3.61Å | ||
| 269 | D | 74.7 | Confident | 82.3 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 134.2 | 174.5 | -90.8 | -16.6 | 0 | 0 | 0 | 110.4 | G86 R89 | G86-D269 PolarHBondContact N-OD1 3.13Å; R89-D269 IonicContact CZ-OD2 3.56Å; R89-D269 IonicContact NE-OD2 2.89Å; R89-D269 IonicContact NH2-OD2 2.7Å; R89-D269 PolarHBondContact NH2-OD2 3.23Å |
| 270 | T | 67.8 | Low | 82.4 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 135.4 | 176.5 | 45.1 | 0 | 0 | 0 | 0 | 110.1 | K272 G273 E274 | T270-K272 PolarHBondContact O-N 3.15Å; T270-G273 PolarHBondContact O-N 3.2Å; T270-E274 WeakPolarHBondContact CB-O 3.33Å; T270-E274 PolarHBondContact OG1-O 2.84Å |
| 271 | P | 59.3 | Low | 82.5 | Confident | 71 Ų | 71 | 53.5 Ų | 53.5 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -61.1 | 138.1 | 172 | 24.4 | -31 | 0 | 0 | 0 | 109.2 | D130 | D130-P271 HydrophobicContact CB-CG 4.43Š|
| 272 | K | 63.4 | Low | 82.4 | Confident | 205 Ų | 205 | 54 Ų | 54 | 89% | 0.891 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | 75.8 | 9.9 | 177.3 | -48.5 | 179 | -179.5 | -178.4 | 0 | 117.1 | T270 E274 | T270-K272 PolarHBondContact O-N 3.15Å; K272-E274 PolarHBondContact O-N 3.01Å |
| 273 | G | 65.3 | Low | 82.4 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 58% | 0.577 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | 71.1 | 18.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | T270 | T270-G273 PolarHBondContact O-N 3.2Š|
| 274 | E | 73.3 | Confident | 82.4 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 58% | 0.579 | 28% | 0.282 | S | S | * | . | trans | -64.4 | 149.9 | 169.2 | -73.1 | -63.5 | 149.1 | 0 | 0 | 110.3 | T270 K272 | T270-E274 WeakPolarHBondContact CB-O 3.33Å; T270-E274 PolarHBondContact OG1-O 2.84Å; K272-E274 PolarHBondContact O-N 3.01Å | ||
| 275 | P | 76.8 | Confident | 82.5 | Confident | 27 Ų | 27 | 53 Ų | 53 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | trans | -68.5 | 140.9 | 178.6 | 29.2 | -33.7 | 0 | 0 | 0 | 111.4 | R235 | R235-P275 VanDerWaalsContact CZ-CB 3.5Å; R235-P275 VanDerWaalsContact CZ-CG 3.44Å; R235-P275 VanDerWaalsContact NH1-CB 3.27Å; R235-P275 VanDerWaalsContact NH1-CG 3.34Å; R235-P275 PolarHBondContact NH1-O 3.1Å | ||
| 276 | V | 82.6 | Confident | 82.6 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -45.3 | 128.1 | 178.3 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | L85 V233 R235 V240 L280 | L85-V276 HydrophobicContact CD1-CG2 3.9Å; V233-V276 HydrophobicContact CG1-CG1 4.18Å; V233-V276 HydrophobicContact CG2-CG1 4.43Å; R235-V276 PolarHBondContact NH1-O 3.4Å; V240-V276 HydrophobicContact CG2-CB 4.2Å; V240-V276 HydrophobicContact CG2-CG2 4.07Å; V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 HydrophobicContact CG1-CD2 4.38Å | ||
| 277 | P | 85.8 | Confident | 82.7 | Confident | 61 Ų | 61 | 52 Ų | 52 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | trans | -52.7 | 150 | -179.3 | -27.8 | 35.4 | 0 | 0 | 0 | 113.3 | V233 S279 | V233-P277 WeakPolarHBondContact CB-O 3.44Å; P277-S279 WeakPolarHBondContact CB-O 3.43Å; P277-S279 PolarHBondContact O-N 3.31Å | ||
| 278 | R | 88.2 | Confident | 83 | Confident | 190 Ų | 190 | 52.6 Ų | 52.6 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -67.6 | -22.6 | 177.4 | -71.1 | -174.6 | 180 | 167.9 | 0.2 | 113.6 | R232 V233 | R232-R278 WeakPolarHBondContact CA-O 3.43Å; V233-R278 PolarHBondContact N-O 3.12Å |
| 279 | S | 90.1 | Very high | 82.6 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.4 | 171.8 | -161.3 | 0 | 0 | 0 | 0 | 106.2 | M231 P277 | M231-S279 WeakPolarHBondContact O-CA 3.47Å; P277-S279 WeakPolarHBondContact CB-O 3.43Å; P277-S279 PolarHBondContact O-N 3.31Å |
| 280 | L | 90.4 | Very high | 82.1 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130 | -177.7 | -172.3 | 67.8 | 0 | 0 | 0 | 109.1 | M231 V233 V266 W268 V276 | M231-L280 HydrophobicContact CE-CD2 4.15Å; M231-L280 PolarHBondContact N-O 2.84Å; M231-L280 PolarHBondContact O-N 3.21Å; V233-L280 HydrophobicContact CG2-CB 3.73Å; V233-L280 HydrophobicContact CG2-CD2 4.42Å; V266-L280 HydrophobicContact CG1-CD2 3.53Å; V266-L280 HydrophobicContact CG1-CG 4.12Å; W268-L280 HydrophobicContact CD2-CD2 4.04Å; W268-L280 HydrophobicContact CE3-CD2 3.38Å; W268-L280 HydrophobicContact CH2-CD2 4.04Å; W268-L280 HydrophobicContact CZ3-CD2 3.38Å; V276-L280 HydrophobicContact CG1-CD1 4.43Å; V276-L280 HydrophobicContact CG1-CD2 4.38Å |
| 281 | E | 90.8 | Very high | 81.5 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.9 | 175.3 | -61.5 | -59.8 | 138.7 | 0 | 0 | 109.8 | L229 S230 | L229-E281 CarbonylContact O-C 3.58Å; L229-E281 WeakPolarHBondContact O-CA 3.22Å; S230-E281 WeakPolarHBondContact CB-OE1 3.37Å; S230-E281 WeakPolarHBondContact CB-OE2 3.33Å; S230-E281 PolarHBondContact OG-OE1 3.08Å |
| 282 | G | 91.9 | Very high | 81.4 | Confident | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -178.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L229 F265 | L229-G282 PolarHBondContact N-O 2.66Å; L229-G282 VanDerWaalsContact N-O 3.14Å; L229-G282 PolarHBondContact O-N 3.03Å; F265-G282 WeakPolarHBondContact O-CA 3.44Å |
| 283 | L | 94.1 | Very high | 81 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.1 | 180 | 174.9 | 64.2 | 0 | 0 | 0 | 109.6 | L132 V137 Q226 S264 F265 V285 | L132-L283 HydrophobicContact CD1-CB 4.17Å; V137-L283 HydrophobicContact CG1-CD1 3.53Å; V137-L283 HydrophobicContact CG1-CD2 3.93Å; V137-L283 HydrophobicContact CG1-CG 4.32Å; Q226-L283 HydrophobicContact CB-CD1 3.7Å; S264-L283 CarbonylContact C-O 3.53Å; S264-L283 WeakPolarHBondContact CA-O 3.15Å; F265-L283 HydrophobicContact CB-CB 4.37Å; F265-L283 PolarHBondContact N-O 2.89Å; F265-L283 PolarHBondContact O-N 2.87Å; L283-V285 HydrophobicContact CD2-CG2 4.18Å; L283-V285 HydrophobicContact CG-CG2 4.2Å |
| 284 | F | 96.3 | Very high | 80.7 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 138.4 | 158.1 | -76.4 | -41.4 | 0 | 0 | 0 | 110 | G227 L229 L250 T251 L261 Y286 F354 | G227-F284 PolarHBondContact N-O 3.34Å; G227-F284 PolarHBondContact O-N 3.06Å; L229-F284 HydrophobicContact CB-CD1 4.39Å; L229-F284 HydrophobicContact CB-CD2 3.87Å; L229-F284 HydrophobicContact CB-CE1 4.43Å; L229-F284 HydrophobicContact CB-CE2 3.93Å; L229-F284 HydrophobicContact CB-CG 4.13Å; L229-F284 HydrophobicContact CB-CZ 4.22Å; L229-F284 HydrophobicContact CD1-CE1 4.28Å; L229-F284 HydrophobicContact CD1-CE2 3.73Å; L229-F284 HydrophobicContact CD1-CZ 3.59Å; L229-F284 HydrophobicContact CD2-CD1 4.24Å; L229-F284 HydrophobicContact CD2-CE1 3.82Å; L229-F284 HydrophobicContact CD2-CZ 4.01Å; L229-F284 HydrophobicContact CG-CE1 4.4Å; L229-F284 HydrophobicContact CG-CE2 4.27Å; L229-F284 HydrophobicContact CG-CZ 4.14Å; L250-F284 HydrophobicContact CB-CE2 4.49Å; T251-F284 HydrophobicContact CG2-CE2 4.21Å; L261-F284 HydrophobicContact CD1-CB 3.69Å; L261-F284 HydrophobicContact CD1-CD1 3.54Å; L261-F284 HydrophobicContact CD1-CE1 4.27Å; L261-F284 HydrophobicContact CD1-CG 3.73Å; L261-F284 HydrophobicContact CD2-CD1 4.21Å; L261-F284 HydrophobicContact CD2-CE1 4.11Å; F284-Y286 HydrophobicContact CB-CD2 4.12Å; F284-Y286 HydrophobicContact CB-CE2 3.43Å; F284-Y286 VanDerWaalsContact CB-CE2 3.43Å; F284-Y286 HydrophobicContact CD2-CE2 4.42Å; F284-Y286 HydrophobicContact CG-CE2 4.3Å; F284-F354 HydrophobicContact CE1-CZ 4.3Å; F284-F354 HydrophobicContact CZ-CE1 4.35Å; F284-F354 AromaticContact CZ-CZ 3.94Å; F284-F354 HydrophobicContact CZ-CZ 3.94Å |
| 285 | V | 96.4 | Very high | 80.2 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.9 | 172.6 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | I141 F154 Y224 V262 D263 L283 | I141-V285 HydrophobicContact CD1-CG1 4.04Å; I141-V285 HydrophobicContact CD1-CG2 4.15Å; F154-V285 HydrophobicContact CD1-CG1 4.34Å; F154-V285 HydrophobicContact CE1-CB 4.29Å; F154-V285 HydrophobicContact CE1-CG1 3.93Å; Y224-V285 HydrophobicContact CD1-CG1 4.18Å; V262-V285 HydrophobicContact CG2-CB 4.13Å; V262-V285 HydrophobicContact CG2-CG1 3.89Å; V262-V285 WeakPolarHBondContact CG2-O 3.26Å; V262-V285 PolarHBondContact N-O 2.7Å; D263-V285 HydrophobicContact CB-CB 4.11Å; D263-V285 HydrophobicContact CB-CG2 4.28Å; D263-V285 PolarHBondContact N-O 2.89Å; D263-V285 PolarHBondContact O-N 2.81Å; L283-V285 HydrophobicContact CD2-CG2 4.18Å; L283-V285 HydrophobicContact CG-CG2 4.2Å |
| 286 | Y | 94.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142 | 179 | -69.4 | -90 | 0 | 0 | 0 | 110.6 | Y224 H225 Y254 Y255 W259 S260 L261 F284 | Y224-Y286 CarbonylContact C-O 3.57Å; Y224-Y286 WeakPolarHBondContact CA-O 3.33Å; H225-Y286 PolarHBondContact N-O 2.77Å; H225-Y286 PolarHBondContact O-N 2.89Å; Y254-Y286 VanDerWaalsContact CB-CE1 3.44Å; Y254-Y286 HydrophobicContact CD1-CD2 4.15Å; Y254-Y286 HydrophobicContact CD1-CE2 4.09Å; Y254-Y286 HydrophobicContact CD2-CD2 4.5Å; Y254-Y286 HydrophobicContact CD2-CE1 4.21Å; Y254-Y286 AromaticContact CD2-CE2 3.67Å; Y254-Y286 HydrophobicContact CD2-CE2 3.67Å; Y254-Y286 AromaticContact CD2-CZ 3.49Å; Y254-Y286 VanDerWaalsContact CD2-CZ 3.49Å; Y254-Y286 WeakPolarHBondContact CD2-OH 3.24Å; Y254-Y286 HydrophobicContact CE1-CE2 4.42Å; Y254-Y286 HydrophobicContact CE2-CE2 4.05Å; Y254-Y286 HydrophobicContact CG-CD1 4.33Å; Y254-Y286 HydrophobicContact CG-CD2 4.09Å; Y254-Y286 AromaticContact CG-CE1 3.95Å; Y254-Y286 HydrophobicContact CG-CE1 3.95Å; Y254-Y286 AromaticContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CE2 3.68Å; Y254-Y286 HydrophobicContact CG-CG 4.39Å; Y254-Y286 AromaticContact CG-CZ 3.61Å; Y255-Y286 HydrophobicContact CD1-CE1 4.15Å; Y255-Y286 HydrophobicContact CE1-CD1 4.32Å; Y255-Y286 AromaticContact CE1-CE1 3.73Å; Y255-Y286 HydrophobicContact CE1-CE1 3.73Å; W259-Y286 HydrophobicContact CB-CD1 4.25Å; W259-Y286 HydrophobicContact CB-CG 4.43Å; S260-Y286 CarbonylContact O-C 3.6Å; S260-Y286 VanDerWaalsContact O-CA 3.24Å; S260-Y286 WeakPolarHBondContact O-CA 3.4Å; L261-Y286 HydrophobicContact CB-CD1 4.21Å; L261-Y286 HydrophobicContact CB-CE1 3.97Å; L261-Y286 HydrophobicContact CD1-CD1 4.4Å; L261-Y286 HydrophobicContact CD1-CE1 4.07Å; L261-Y286 HydrophobicContact CD1-CE2 4.35Å; F284-Y286 HydrophobicContact CB-CD2 4.12Å; F284-Y286 HydrophobicContact CB-CE2 3.43Å; F284-Y286 VanDerWaalsContact CB-CE2 3.43Å; F284-Y286 HydrophobicContact CD2-CE2 4.42Å; F284-Y286 HydrophobicContact CG-CE2 4.3Å |
| 287 | E | 92.1 | Very high | 80 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.7 | 174.8 | -175.3 | -172.8 | -169.4 | 0 | 0 | 110.2 | Q153 C222 Y224 W259 S260 V262 R289 | Q153-E287 PolarHBondContact NE2-OE1 2.89Å; C222-E287 HydrophobicContact CB-CG 4.25Å; C222-E287 PolarHBondContact SG-OE1 2.76Å; Y224-E287 HydrophobicContact CD1-CB 4.06Å; Y224-E287 HydrophobicContact CD1-CG 4.29Å; Y224-E287 HydrophobicContact CE1-CB 3.81Å; Y224-E287 HydrophobicContact CE1-CG 3.71Å; W259-E287 CarbonylContact C-O 3.58Å; W259-E287 WeakPolarHBondContact CA-O 3.35Å; S260-E287 PolarHBondContact N-O 2.84Å; S260-E287 PolarHBondContact O-N 2.91Å; V262-E287 HydrophobicContact CG1-CB 3.48Å; V262-E287 VanDerWaalsContact CG1-CB 3.48Å; V262-E287 HydrophobicContact CG1-CG 4.46Å; V262-E287 WeakPolarHBondContact CG1-OE2 3.31Å; V262-E287 HydrophobicContact CG2-CB 4.23Å; E287-R289 HydrophobicContact CG-CG 3.96Å; E287-R289 IonicContact OE1-CZ 2.94Å; E287-R289 IonicContact OE1-NE 2.68Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 IonicContact OE1-NH2 2.88Å; E287-R289 IonicContact OE2-CZ 3.34Å; E287-R289 IonicContact OE2-NE 3.58Å; E287-R289 PolarHBondContact OE2-NE 2.85Å; E287-R289 IonicContact OE2-NH2 3.18Å; E287-R289 PolarHBondContact OE2-NH2 2.79Å |
| 288 | E | 88.9 | Confident | 80.2 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 107.9 | 172.3 | -178.3 | 173.6 | -154.8 | 0 | 0 | 109.5 | Q223 H225 W259 | Q223-E288 HydrophobicContact CB-CB 4.43Å; Q223-E288 PolarHBondContact N-O 3.46Å; Q223-E288 WeakPolarHBondContact O-CB 3.29Å; Q223-E288 PolarHBondContact O-N 2.77Å; H225-E288 IonicContact CD2-OE2 2.77Å; H225-E288 IonicContact CE1-OE2 3.99Å; H225-E288 IonicContact NE2-OE2 3.78Å; H225-E288 PolarHBondContact NE2-OE2 2.85Å; W259-E288 HydrophobicContact CG-CB 4.39Å; W259-E288 PolarHBondContact NE1-OE1 3.08Å |
| 289 | R | 72.4 | Confident | 80.5 | Confident | 116 Ų | 116 | 43 Ų | 43 | 44% | 0.438 | 25% | 0.248 | S | C | . | . | trans | -101.4 | -19.5 | 177.9 | -67.6 | -170.8 | -178.8 | 159.3 | 9.4 | 114.2 | E287 | E287-R289 HydrophobicContact CG-CG 3.96Å; E287-R289 IonicContact OE1-CZ 2.94Å; E287-R289 IonicContact OE1-NE 2.68Å; E287-R289 PolarHBondContact OE1-NE 2.89Å; E287-R289 IonicContact OE1-NH2 2.88Å; E287-R289 IonicContact OE2-CZ 3.34Å; E287-R289 IonicContact OE2-NE 3.58Å; E287-R289 PolarHBondContact OE2-NE 2.85Å; E287-R289 IonicContact OE2-NH2 3.18Å; E287-R289 PolarHBondContact OE2-NH2 2.79Å | ||
| 290 | S | 63.4 | Low | 80.7 | Confident | 41 Ų | 41 | 39.4 Ų | 39.4 | 29% | 0.287 | 22% | 0.223 | S | C | . | . | trans | -156.1 | 149.3 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 111 | S292 | S290-S292 VanDerWaalsContact C-N 3.34Å; S290-S292 PolarHBondContact OG-N 2.97Å; S290-S292 VanDerWaalsContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.15Å | ||
| 291 | T | 56.7 | Low | 81 | Confident | 132 Ų | 132 | 38.8 Ų | 38.8 | 81% | 0.81 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -84.7 | -7.2 | 173.2 | 57 | 0 | 0 | 0 | 0 | 113.2 | ||
| 292 | S | 56.4 | Low | 81.1 | Confident | 52 Ų | 52 | 34 Ų | 34 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -79.8 | 124.8 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 110.3 | S290 P294 | S290-S292 VanDerWaalsContact C-N 3.34Å; S290-S292 PolarHBondContact OG-N 2.97Å; S290-S292 VanDerWaalsContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.15Å; S292-P294 VanDerWaalsContact O-CD 3.26Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å |
| 293 | P | 55.7 | Low | 81.1 | Confident | 106 Ų | 106 | 34.6 Ų | 34.6 | 69% | 0.688 | 20% | 0.197 | S | C | * | . | P | Polyproline II helix | trans | -65.1 | 118.8 | -178.1 | 24.2 | -31.3 | 0 | 0 | 0 | 110.1 | ||
| 294 | P | 58.8 | Low | 81 | Confident | 22 Ų | 22 | 36.2 Ų | 36.2 | 14% | 0.143 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 164.1 | 176.6 | 30.8 | -35.2 | 0 | 0 | 0 | 112.3 | G258 S292 N296 V359 | G258-P294 VanDerWaalsContact CA-CG 3.45Å; S292-P294 VanDerWaalsContact O-CD 3.26Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å; P294-N296 PolarHBondContact O-N 2.79Å; P294-V359 HydrophobicContact CB-CB 3.71Å; P294-V359 HydrophobicContact CB-CG1 3.71Å; P294-V359 HydrophobicContact CB-CG2 3.01Å; P294-V359 HydrophobicContact CG-CG2 4.21Å |
| 295 | P | 62.1 | Low | 80.7 | Confident | 77 Ų | 77 | 36.2 Ų | 36.2 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 125.1 | 153.7 | 24.4 | -35 | 0 | 0 | 0 | 110.1 | D297 V359 | P295-D297 PolarHBondContact O-N 3.33Å; P295-V359 HydrophobicContact CG-CG2 4.25Å |
| 296 | N | 68.2 | Low | 80.3 | Confident | 60 Ų | 60 | 37 Ų | 37 | 32% | 0.321 | 21% | 0.208 | S | C | . | . | trans | -78 | 48.8 | -178.8 | -60.9 | -49.3 | 0 | 0 | 0 | 112 | T22 Y255 R256 P294 T298 | T22-N296 PolarHBondContact OG1-O 2.67Å; Y255-N296 PolarHBondContact O-OD1 3.08Å; R256-N296 WeakPolarHBondContact CA-OD1 3.38Å; R256-N296 VanDerWaalsContact CG-ND2 3.29Å; R256-N296 WeakPolarHBondContact CG-ND2 3.44Å; R256-N296 PolarHBondContact N-OD1 2.98Å; R256-N296 VanDerWaalsContact N-OD1 3.08Å; P294-N296 PolarHBondContact O-N 2.79Å; N296-T298 PolarHBondContact O-N 2.86Å | ||
| 297 | D | 87.1 | Confident | 79.9 | Confident | 26 Ų | 26 | 37.2 Ų | 37.2 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | trans | -82.8 | 111.5 | -174.7 | -66.2 | -9.9 | 0 | 0 | 0 | 108.7 | L23 P295 W328 R357 | L23-D297 HydrophobicContact CD1-CB 3.93Å; P295-D297 PolarHBondContact O-N 3.33Å; D297-W328 HydrophobicContact CB-CH2 3.92Å; D297-W328 HydrophobicContact CB-CZ3 4.37Å; D297-R357 HydrophobicContact CB-CB 4.36Å; D297-R357 VanDerWaalsContact CG-NH2 3.34Å; D297-R357 IonicContact OD1-NH2 2.92Å; D297-R357 IonicContact OD2-CZ 3.81Å; D297-R357 IonicContact OD2-NE 3.08Å; D297-R357 PolarHBondContact OD2-NE 3.17Å; D297-R357 IonicContact OD2-NH2 2.73Å; D297-R357 PolarHBondContact OD2-NH2 3.37Å | ||
| 298 | T | 90.4 | Very high | 79.5 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.9 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | S21 T22 L248 Y255 N296 L355 | S21-T298 WeakPolarHBondContact CA-O 3.22Å; S21-T298 PolarHBondContact OG-O 2.86Å; S21-T298 VanDerWaalsContact OG-O 3.11Å; T22-T298 HydrophobicContact CG2-CG2 3.55Å; T22-T298 PolarHBondContact N-O 3.49Å; T22-T298 PolarHBondContact OG1-N 2.71Å; L248-T298 HydrophobicContact CD2-CG2 3.71Å; Y255-T298 HydrophobicContact CD2-CG2 3.92Å; Y255-T298 HydrophobicContact CE2-CG2 3.9Å; Y255-T298 WeakPolarHBondContact CE2-OG1 3.33Å; N296-T298 PolarHBondContact O-N 2.86Å; T298-L355 WeakPolarHBondContact CA-O 3.41Å |
| 299 | I | 93.8 | Very high | 78.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.5 | 167.8 | -66.6 | 172.1 | 0 | 0 | 0 | 107 | I19 Y20 V28 V301 L323 W328 L355 | I19-I299 HydrophobicContact CG2-CG2 4Å; Y20-I299 WeakPolarHBondContact O-CA 3.39Å; V28-I299 HydrophobicContact CB-CD1 4.45Å; V28-I299 HydrophobicContact CG1-CD1 3.65Å; V28-I299 HydrophobicContact CG2-CD1 4.04Å; I299-V301 HydrophobicContact CG2-CG2 3.71Å; I299-L323 HydrophobicContact CD1-CD1 4.39Å; I299-L323 HydrophobicContact CD1-CD2 4.24Å; I299-W328 HydrophobicContact CB-CE3 4.44Å; I299-W328 HydrophobicContact CB-CZ3 4.2Å; I299-W328 HydrophobicContact CD1-CD2 3.66Å; I299-W328 HydrophobicContact CD1-CE3 3.89Å; I299-W328 HydrophobicContact CD1-CG 4.38Å; I299-W328 HydrophobicContact CD1-CH2 3.64Å; I299-W328 HydrophobicContact CD1-CZ2 3.4Å; I299-W328 HydrophobicContact CD1-CZ3 3.88Å; I299-W328 HydrophobicContact CG1-CD2 4.4Å; I299-W328 HydrophobicContact CG1-CE3 4.13Å; I299-W328 HydrophobicContact CG1-CH2 3.56Å; I299-W328 HydrophobicContact CG1-CZ2 3.86Å; I299-W328 HydrophobicContact CG1-CZ3 3.7Å; I299-L355 HydrophobicContact CB-CB 4.36Å; I299-L355 HydrophobicContact CB-CD1 4.46Å; I299-L355 HydrophobicContact CG2-CD1 4.25Å; I299-L355 PolarHBondContact N-O 2.72Å; I299-L355 PolarHBondContact O-N 3.13Å |
| 300 | V | 95.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.8 | 171.4 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | Y20 W247 L248 V352 V353 F354 | Y20-V300 HydrophobicContact CD2-CB 4.38Å; Y20-V300 PolarHBondContact N-O 3.01Å; Y20-V300 PolarHBondContact O-N 2.77Å; W247-V300 HydrophobicContact CB-CB 4.14Å; W247-V300 HydrophobicContact CB-CG1 3.74Å; W247-V300 HydrophobicContact CB-CG2 4.02Å; W247-V300 HydrophobicContact CG-CG1 3.88Å; L248-V300 HydrophobicContact CD2-CG2 3.88Å; V300-V352 HydrophobicContact CG1-CG1 3.42Å; V300-V352 VanDerWaalsContact CG1-CG1 3.42Å; V300-V353 CarbonylContact C-O 3.51Å; V300-V353 WeakPolarHBondContact CA-O 3.49Å; V300-F354 HydrophobicContact CB-CD1 4.44Å; V300-F354 HydrophobicContact CB-CE1 4.48Å; V300-F354 HydrophobicContact CG1-CD1 4.08Å; V300-F354 HydrophobicContact CG1-CE1 3.82Å; V300-F354 HydrophobicContact CG1-CZ 4.17Å; V300-F354 HydrophobicContact CG2-CD1 3.62Å; V300-F354 HydrophobicContact CG2-CE1 3.79Å |
| 301 | V | 95 | Very high | 79 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 119.9 | -178.6 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | K18 I19 I299 Q303 L319 V352 V353 L355 | K18-V301 CarbonylContact O-C 3.57Å; K18-V301 WeakPolarHBondContact O-CA 3.42Å; I19-V301 HydrophobicContact CG1-CG1 4.07Å; I19-V301 HydrophobicContact CG1-CG2 4.27Å; I19-V301 HydrophobicContact CG2-CG2 4.43Å; I299-V301 HydrophobicContact CG2-CG2 3.71Å; V301-Q303 HydrophobicContact CG1-CB 4.4Å; V301-Q303 PolarHBondContact O-N 3.28Å; V301-L319 HydrophobicContact CB-CD2 4.27Å; V301-L319 HydrophobicContact CG1-CD2 3.76Å; V301-L319 HydrophobicContact CG2-CD2 3.86Å; V301-V352 CarbonylContact O-C 3.57Å; V301-V352 WeakPolarHBondContact O-CA 3.46Å; V301-V353 HydrophobicContact CB-CB 4.31Å; V301-V353 PolarHBondContact N-O 3.44Å; V301-V353 PolarHBondContact O-N 3.31Å; V301-L355 HydrophobicContact CG2-CD1 4.23Å |
| 302 | E | 94.1 | Very high | 80.2 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 107.8 | 163.8 | -77.3 | 174.7 | -159.8 | 0 | 0 | 108.7 | G17 K18 Y20 W247 K350 Q351 V352 | G17-E302 CarbonylContact C-O 3.55Å; G17-E302 WeakPolarHBondContact CA-O 3.29Å; K18-E302 HydrophobicContact CB-CB 4.17Å; K18-E302 PolarHBondContact N-O 2.86Å; K18-E302 PolarHBondContact O-N 3.02Å; Y20-E302 HydrophobicContact CE2-CG 3.94Å; Y20-E302 WeakPolarHBondContact CE2-OE1 3.31Å; Y20-E302 PolarHBondContact OH-OE1 3.17Å; W247-E302 PolarHBondContact NE1-OE1 3.08Å; E302-K350 WeakPolarHBondContact OE2-CE 3.49Å; E302-K350 IonicContact OE2-NZ 2.82Å; E302-K350 PolarHBondContact OE2-NZ 2.65Å; E302-Q351 WeakPolarHBondContact CA-O 3.26Å; E302-V352 HydrophobicContact CG-CG2 4.2Å |
| 303 | Q | 92.3 | Very high | 81.4 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.8 | -175 | -177.8 | 62.4 | 44.5 | 0 | 0 | 111.3 | P16 V301 K350 Q351 | P16-Q303 PolarHBondContact O-NE2 3.48Å; P16-Q303 PolarHBondContact O-OE1 2.77Å; V301-Q303 HydrophobicContact CG1-CB 4.4Å; V301-Q303 PolarHBondContact O-N 3.28Å; Q303-K350 CarbonylContact O-C 3.56Å; Q303-K350 WeakPolarHBondContact O-CA 3.22Å; Q303-Q351 PolarHBondContact N-O 3.3Å; Q303-Q351 PolarHBondContact O-N 3.42Å |
| 304 | W | 90.9 | Very high | 82.6 | Confident | 43 Ų | 43 | 34.6 Ų | 34.6 | 16% | 0.163 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.8 | 164.3 | -69.8 | 99.6 | 0 | 0 | 0 | 111 | I338 R340 A348 T349 K350 | W304-I338 HydrophobicContact CH2-CG2 3.65Å; W304-I338 HydrophobicContact CZ3-CG2 4.14Å; W304-R340 HydrophobicContact CH2-CG 3.75Å; W304-R340 HydrophobicContact CZ3-CB 4.27Å; W304-R340 HydrophobicContact CZ3-CG 3.92Å; W304-A348 HydrophobicContact CE3-CB 4.07Å; W304-A348 HydrophobicContact CZ3-CB 4.49Å; W304-T349 CarbonylContact C-O 3.54Å; W304-T349 WeakPolarHBondContact CA-O 3.32Å; W304-K350 HydrophobicContact CD2-CB 4.28Å; W304-K350 HydrophobicContact CE3-CB 4.04Å; W304-K350 HydrophobicContact CH2-CB 4.08Å; W304-K350 HydrophobicContact CZ2-CB 4.35Å; W304-K350 HydrophobicContact CZ2-CD 4.14Å; W304-K350 HydrophobicContact CZ3-CB 3.94Å |
| 305 | T | 89.9 | Confident | 84 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.4 | 172.5 | -62.8 | 0 | 0 | 0 | 0 | 108.2 | I81 V312 T314 D315 A348 T349 Q351 | I81-T305 HydrophobicContact CG2-CG2 4.19Å; T305-V312 HydrophobicContact CG2-CG1 3.62Å; T305-T314 CarbonylContact C-O 3.38Å; T305-T314 VanDerWaalsContact CA-O 3.26Å; T305-T314 WeakPolarHBondContact CA-O 3.33Å; T305-D315 HydrophobicContact CG2-CB 4.11Å; T305-A348 CarbonylContact O-C 3.56Å; T305-A348 WeakPolarHBondContact O-CA 3.39Å; T305-T349 PolarHBondContact N-O 3.28Å; T305-T349 PolarHBondContact O-N 3.04Å; T305-Q351 PolarHBondContact OG1-OE1 3.16Å |
| 306 | V | 89.3 | Confident | 85.4 | Confident | 24 Ų | 24 | 31.6 Ų | 31.6 | 15% | 0.145 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.7 | -176.9 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | I313 T314 N346 L347 A348 | V306-I313 HydrophobicContact CG1-CD1 3.92Å; V306-I313 PolarHBondContact O-N 3.46Å; V306-T314 WeakPolarHBondContact CB-OG1 3.49Å; V306-T314 WeakPolarHBondContact CG2-OG1 3.44Å; V306-T314 PolarHBondContact N-O 3.05Å; V306-T314 PolarHBondContact O-N 2.97Å; V306-N346 HydrophobicContact CG1-CB 3.81Å; V306-L347 CarbonylContact C-O 3.55Å; V306-L347 WeakPolarHBondContact CA-O 3.26Å; V306-A348 HydrophobicContact CG2-CB 3.97Å |
| 307 | T | 85.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.4 | -179.1 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | I81 D311 V312 N346 L347 | I81-T307 HydrophobicContact CG2-CG2 4.23Å; T307-D311 CarbonylContact C-O 3.56Å; T307-D311 WeakPolarHBondContact CA-O 3.41Å; T307-V312 HydrophobicContact CG2-CG2 4.04Å; T307-N346 WeakPolarHBondContact O-CB 3.49Å; T307-L347 PolarHBondContact N-O 2.97Å; T307-L347 PolarHBondContact O-N 2.75Å; T307-L347 PolarHBondContact OG1-O 3.46Å |
| 308 | E | 83.2 | Confident | 86.9 | Confident | 117 Ų | 117 | 31.8 Ų | 31.8 | 55% | 0.547 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 112.8 | 172.6 | 172.2 | 176.5 | -164.1 | 0 | 0 | 108.7 | D311 I313 N346 | E308-D311 PolarHBondContact N-O 3.26Å; E308-D311 PolarHBondContact O-N 3.27Å; E308-I313 HydrophobicContact CB-CD1 3.25Å; E308-I313 HydrophobicContact CB-CG1 3.62Å; E308-I313 HydrophobicContact CG-CD1 4.45Å; E308-N346 WeakPolarHBondContact CB-OD1 3.41Å; E308-N346 WeakPolarHBondContact CG-OD1 3.24Å |
| 309 | G | 72.9 | Confident | 87 | Confident | 37 Ų | 37 | 33.1 Ų | 33.1 | 38% | 0.381 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -129.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F93 D311 | F93-G309 WeakPolarHBondContact CE1-O 3.3Å; F93-G309 WeakPolarHBondContact CE2-O 3.2Å; F93-G309 WeakPolarHBondContact CZ-O 3.42Å; G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.21Å |
| 310 | P | 65.1 | Low | 87.1 | Confident | 37 Ų | 37 | 33 Ų | 33 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -17.3 | 179 | 33.6 | -34.9 | 0 | 0 | 0 | 114.3 | R49 I52 | R49-P310 HydrophobicContact CB-CB 4.1Å; R49-P310 HydrophobicContact CG-CB 4.09Å; R49-P310 VanDerWaalsContact NH1-CA 3.27Å; I52-P310 HydrophobicContact CD1-CB 4.1Å; I52-P310 WeakPolarHBondContact CD1-O 3.39Å |
| 311 | D | 76.6 | Confident | 87 | Confident | 65 Ų | 65 | 37.2 Ų | 37.2 | 35% | 0.348 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139.1 | -166 | -65.7 | -54.1 | 0 | 0 | 0 | 112 | T51 T307 E308 G309 | T51-D311 WeakPolarHBondContact CB-OD1 3.39Å; T51-D311 VanDerWaalsContact CG2-OD1 3.22Å; T51-D311 WeakPolarHBondContact CG2-OD1 3.42Å; T51-D311 PolarHBondContact OG1-OD1 2.77Å; T307-D311 CarbonylContact C-O 3.56Å; T307-D311 WeakPolarHBondContact CA-O 3.41Å; E308-D311 PolarHBondContact N-O 3.26Å; E308-D311 PolarHBondContact O-N 3.27Å; G309-D311 VanDerWaalsContact C-N 3.3Å; G309-D311 PolarHBondContact O-N 3.21Å |
| 312 | V | 82.4 | Confident | 87 | Confident | 33 Ų | 33 | 41.2 Ų | 41.2 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.6 | 168.6 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | D42 I81 T305 T307 D315 | D42-V312 WeakPolarHBondContact OD2-CG2 3.15Å; I81-V312 HydrophobicContact CD1-CG2 4Å; T305-V312 HydrophobicContact CG2-CG1 3.62Å; T307-V312 HydrophobicContact CG2-CG2 4.04Å; V312-D315 HydrophobicContact CG1-CB 4.06Å |
| 313 | I | 80.6 | Confident | 87 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 41% | 0.405 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -45.1 | -175.5 | -45.8 | 170.8 | 0 | 0 | 0 | 110.5 | V306 E308 | V306-I313 HydrophobicContact CG1-CD1 3.92Å; V306-I313 PolarHBondContact O-N 3.46Å; E308-I313 HydrophobicContact CB-CD1 3.25Å; E308-I313 HydrophobicContact CB-CG1 3.62Å; E308-I313 HydrophobicContact CG-CD1 4.45Å |
| 314 | T | 82.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 41% | 0.411 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.8 | -175.9 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | T305 V306 | T305-T314 CarbonylContact C-O 3.38Å; T305-T314 VanDerWaalsContact CA-O 3.26Å; T305-T314 WeakPolarHBondContact CA-O 3.33Å; V306-T314 WeakPolarHBondContact CB-OG1 3.49Å; V306-T314 WeakPolarHBondContact CG2-OG1 3.44Å; V306-T314 PolarHBondContact N-O 3.05Å; V306-T314 PolarHBondContact O-N 2.97Å |
| 315 | D | 87.5 | Confident | 87.2 | Confident | 35 Ų | 35 | 42.7 Ų | 42.7 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | trans | -157.9 | -172.1 | 178.4 | 62.1 | 24 | 0 | 0 | 0 | 112.3 | R98 T305 V312 G317 P318 | R98-D315 IonicContact CZ-OD2 2.93Å; R98-D315 VanDerWaalsContact NH1-CB 3.31Å; R98-D315 VanDerWaalsContact NH1-CG 3.3Å; R98-D315 IonicContact NH1-OD2 3.7Å; R98-D315 PolarHBondContact NH1-OD2 2.75Å; R98-D315 IonicContact NH2-OD2 3.77Å; R98-D315 PolarHBondContact NH2-OD2 2.74Å; T305-D315 HydrophobicContact CG2-CB 4.11Å; V312-D315 HydrophobicContact CG1-CB 4.06Å; D315-G317 PolarHBondContact O-N 2.93Å; D315-G317 WeakPolarHBondContact OD1-CA 3.49Å; D315-G317 PolarHBondContact OD1-N 2.97Å; D315-P318 WeakPolarHBondContact OD1-CD 3.32Å | ||
| 316 | Y | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -73.2 | -4.7 | 176.4 | 55.4 | -106.6 | 0 | 0 | 0 | 114.1 | L40 H79 R98 V100 L319 L320 V333 Q351 V353 | L40-Y316 HydrophobicContact CD2-CD2 4.38Å; L40-Y316 HydrophobicContact CD2-CE2 3.92Å; H79-Y316 AromaticContact NE2-CE1 3.91Å; H79-Y316 AromaticContact NE2-CZ 3.71Å; H79-Y316 PolarHBondContact NE2-OH 2.87Å; R98-Y316 WeakPolarHBondContact CD-OH 3.43Å; V100-Y316 HydrophobicContact CG2-CE2 4.19Å; V100-Y316 VanDerWaalsContact CG2-OH 3.24Å; V100-Y316 WeakPolarHBondContact CG2-OH 3.47Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.09Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; Y316-L320 HydrophobicContact CD2-CD1 3.36Å; Y316-L320 HydrophobicContact CD2-CD2 4.5Å; Y316-L320 HydrophobicContact CD2-CG 3.68Å; Y316-L320 HydrophobicContact CE2-CD1 3.43Å; Y316-L320 VanDerWaalsContact CE2-CD1 3.43Å; Y316-L320 HydrophobicContact CE2-CG 4.26Å; Y316-L320 WeakPolarHBondContact O-CG 3.35Å; Y316-L320 PolarHBondContact O-N 2.76Å; Y316-V333 HydrophobicContact CE1-CG1 4.38Å; Y316-Q351 VanDerWaalsContact CE1-OE1 3.28Å; Y316-V353 HydrophobicContact CD1-CG2 3.61Å; Y316-V353 HydrophobicContact CE1-CG2 4.14Å; Y316-V353 HydrophobicContact CG-CG2 3.91Å |
| 317 | G | 93.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.1 | -53.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D315 L319 L320 H321 | D315-G317 PolarHBondContact O-N 2.93Å; D315-G317 WeakPolarHBondContact OD1-CA 3.49Å; D315-G317 PolarHBondContact OD1-N 2.97Å; G317-L319 VanDerWaalsContact C-N 3.25Å; G317-L319 PolarHBondContact O-N 3.07Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 2.93Å; G317-L320 VanDerWaalsContact O-N 3.11Å; G317-H321 PolarHBondContact O-CD2 2.86Å; G317-H321 PolarHBondContact O-N 2.91Å |
| 318 | P | 93.6 | Very high | 87.8 | Confident | 87 Ų | 87 | 43.5 Ų | 43.5 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -57.8 | -36.5 | 176.1 | -26.2 | 35.6 | 0 | 0 | 0 | 113.6 | D315 T322 | D315-P318 WeakPolarHBondContact OD1-CD 3.32Å; P318-T322 PolarHBondContact O-N 2.99Å; P318-T322 VanDerWaalsContact O-N 3.08Å; P318-T322 PolarHBondContact O-OG1 3.24Å |
| 319 | L | 92.9 | Very high | 88.3 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -45 | 175.4 | 179.1 | 64.8 | 0 | 0 | 0 | 111 | V301 Y316 G317 H321 T322 L323 M438 | V301-L319 HydrophobicContact CB-CD2 4.27Å; V301-L319 HydrophobicContact CG1-CD2 3.76Å; V301-L319 HydrophobicContact CG2-CD2 3.86Å; Y316-L319 WeakPolarHBondContact O-CB 3.35Å; Y316-L319 PolarHBondContact O-N 3.09Å; Y316-L319 VanDerWaalsContact O-N 3.16Å; G317-L319 VanDerWaalsContact C-N 3.25Å; G317-L319 PolarHBondContact O-N 3.07Å; L319-H321 PolarHBondContact O-N 2.94Å; L319-T322 PolarHBondContact O-N 3.38Å; L319-L323 HydrophobicContact CD1-CD1 4.01Å; L319-L323 HydrophobicContact CD1-CG 4.11Å; L319-L323 HydrophobicContact CG-CD1 3.97Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CG 2.98Å; L319-L323 PolarHBondContact O-N 3.44Å; L319-M438 HydrophobicContact CD1-CE 4.47Å |
| 320 | L | 94.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.6 | -70.6 | -173.8 | 0 | 0 | 0 | 111.5 | Y38 V100 Y316 G317 T322 L323 A324 L330 V353 L355 | Y38-L320 HydrophobicContact CD2-CB 4.2Å; Y38-L320 HydrophobicContact CE2-CB 4.39Å; Y38-L320 HydrophobicContact CG-CB 4.49Å; V100-L320 HydrophobicContact CG1-CD1 4.28Å; Y316-L320 HydrophobicContact CD2-CD1 3.36Å; Y316-L320 HydrophobicContact CD2-CD2 4.5Å; Y316-L320 HydrophobicContact CD2-CG 3.68Å; Y316-L320 HydrophobicContact CE2-CD1 3.43Å; Y316-L320 VanDerWaalsContact CE2-CD1 3.43Å; Y316-L320 HydrophobicContact CE2-CG 4.26Å; Y316-L320 WeakPolarHBondContact O-CG 3.35Å; Y316-L320 PolarHBondContact O-N 2.76Å; G317-L320 WeakPolarHBondContact O-CB 3.41Å; G317-L320 PolarHBondContact O-N 2.93Å; G317-L320 VanDerWaalsContact O-N 3.11Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.79Å; L320-L323 PolarHBondContact O-N 2.73Å; L320-A324 VanDerWaalsContact O-CB 3.27Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.87Å; L320-L330 HydrophobicContact CD1-CD2 4.04Å; L320-L330 HydrophobicContact CD2-CB 4.29Å; L320-L330 HydrophobicContact CD2-CD1 4.37Å; L320-V353 HydrophobicContact CD2-CG1 4.32Å; L320-L355 HydrophobicContact CD2-CD1 4.48Å; L320-L355 HydrophobicContact CD2-CD2 3.67Å; L320-L355 HydrophobicContact CD2-CG 4.27Å |
| 321 | H | 94.4 | Very high | 90.7 | Very high | 89 Ų | 89 | 36.2 Ų | 36.2 | 41% | 0.412 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.9 | -39.2 | 177.5 | -74.7 | -67.3 | 0 | 0 | 0 | 112.5 | Y38 G317 L319 A324 | Y38-H321 PolarHBondContact O-CE1 3.17Å; Y38-H321 VanDerWaalsContact O-CE1 3.25Å; G317-H321 PolarHBondContact O-CD2 2.86Å; G317-H321 PolarHBondContact O-N 2.91Å; L319-H321 PolarHBondContact O-N 2.94Å; H321-A324 WeakPolarHBondContact O-CB 3.11Å |
| 322 | T | 94.4 | Very high | 91.6 | Very high | 85 Ų | 85 | 33.3 Ų | 33.3 | 52% | 0.521 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.2 | -47.9 | 177.7 | -57 | 0 | 0 | 0 | 0 | 111.6 | P318 L319 L320 A324 E325 F326 | P318-T322 PolarHBondContact O-N 2.99Å; P318-T322 VanDerWaalsContact O-N 3.08Å; P318-T322 PolarHBondContact O-OG1 3.24Å; L319-T322 PolarHBondContact O-N 3.38Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.79Å; T322-A324 VanDerWaalsContact C-N 3.27Å; T322-A324 PolarHBondContact O-N 3.31Å; T322-E325 PolarHBondContact O-N 2.9Å; T322-F326 WeakPolarHBondContact O-CD2 3.47Å |
| 323 | L | 94.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.9 | -27.6 | 179.6 | -67.1 | 177.5 | 0 | 0 | 0 | 112.1 | V28 I299 L319 L320 E325 F326 G327 W328 L355 | V28-L323 HydrophobicContact CG1-CD2 3.93Å; I299-L323 HydrophobicContact CD1-CD1 4.39Å; I299-L323 HydrophobicContact CD1-CD2 4.24Å; L319-L323 HydrophobicContact CD1-CD1 4.01Å; L319-L323 HydrophobicContact CD1-CG 4.11Å; L319-L323 HydrophobicContact CG-CD1 3.97Å; L319-L323 HydrophobicContact CG-CG 4.42Å; L319-L323 WeakPolarHBondContact O-CG 2.98Å; L319-L323 PolarHBondContact O-N 3.44Å; L320-L323 PolarHBondContact O-N 2.73Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.19Å; L323-F326 PolarHBondContact O-N 3.29Å; L323-G327 PolarHBondContact O-N 3.21Å; L323-W328 HydrophobicContact CB-CB 3.79Å; L323-W328 HydrophobicContact CB-CG 4.07Å; L323-W328 WeakPolarHBondContact O-CB 3.35Å; L323-W328 PolarHBondContact O-N 2.88Å; L323-L355 HydrophobicContact CB-CD2 4.28Å; L323-L355 HydrophobicContact CD1-CD1 4.3Å; L323-L355 HydrophobicContact CD1-CD2 3.8Å |
| 324 | A | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.4 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V35 Y36 Y38 L320 H321 T322 F326 G327 | V35-A324 WeakPolarHBondContact CA-O 3.37Å; V35-A324 WeakPolarHBondContact CG1-O 2.89Å; Y36-A324 PolarHBondContact N-O 2.77Å; Y36-A324 WeakPolarHBondContact O-CB 3.41Å; Y38-A324 HydrophobicContact CD2-CB 3.79Å; Y38-A324 HydrophobicContact CE2-CB 3.56Å; L320-A324 VanDerWaalsContact O-CB 3.27Å; L320-A324 WeakPolarHBondContact O-CB 3.46Å; L320-A324 PolarHBondContact O-N 2.87Å; H321-A324 WeakPolarHBondContact O-CB 3.11Å; T322-A324 VanDerWaalsContact C-N 3.27Å; T322-A324 PolarHBondContact O-N 3.31Å; A324-F326 PolarHBondContact O-N 3.04Å; A324-G327 WeakPolarHBondContact O-CA 3.44Å; A324-G327 PolarHBondContact O-N 3.4Å |
| 325 | E | 93.1 | Very high | 93.5 | Very high | 87 Ų | 87 | 26.2 Ų | 26.2 | 41% | 0.407 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -17.9 | 177.7 | -65.9 | -61.3 | 144 | 0 | 0 | 113 | R105 T322 L323 | R105-E325 IonicContact CZ-OE1 2.81Å; R105-E325 VanDerWaalsContact CZ-OE1 3.29Å; R105-E325 IonicContact NH1-OE1 3.13Å; R105-E325 PolarHBondContact NH1-OE1 2.83Å; R105-E325 IonicContact NH1-OE2 3.85Å; R105-E325 PolarHBondContact NH1-OE2 3.37Å; R105-E325 VanDerWaalsContact NH1-OE2 3.08Å; R105-E325 IonicContact NH2-OE1 3.73Å; R105-E325 PolarHBondContact NH2-OE1 2.85Å; T322-E325 PolarHBondContact O-N 2.9Å; L323-E325 VanDerWaalsContact C-N 3.26Å; L323-E325 PolarHBondContact O-N 3.19Å |
| 326 | F | 91.9 | Very high | 93.7 | Very high | 41 Ų | 41 | 24.6 Ų | 24.6 | 18% | 0.18 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 7.1 | 174.1 | -52.3 | -73.1 | 0 | 0 | 0 | 112.5 | E29 K31 T32 T322 L323 A324 | E29-F326 VanDerWaalsContact CA-CD1 3.5Å; E29-F326 HydrophobicContact CB-CD1 4.12Å; E29-F326 HydrophobicContact CB-CE1 3.79Å; E29-F326 HydrophobicContact CB-CE2 4.42Å; E29-F326 HydrophobicContact CB-CZ 3.95Å; E29-F326 HydrophobicContact CG-CE1 4.36Å; E29-F326 HydrophobicContact CG-CE2 4.16Å; E29-F326 HydrophobicContact CG-CZ 4.01Å; E29-F326 WeakPolarHBondContact O-CD1 3.41Å; E29-F326 VanDerWaalsContact O-CE1 3.23Å; E29-F326 WeakPolarHBondContact O-CE1 3.39Å; K31-F326 HydrophobicContact CG-CD1 4.48Å; T32-F326 WeakPolarHBondContact CG2-O 3.38Å; T32-F326 PolarHBondContact OG1-O 3.19Å; T322-F326 WeakPolarHBondContact O-CD2 3.47Å; L323-F326 PolarHBondContact O-N 3.29Å; A324-F326 PolarHBondContact O-N 3.04Å |
| 327 | G | 91.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 22.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | T32 T34 L323 A324 P358 | T32-G327 VanDerWaalsContact OG1-CA 3.28Å; T32-G327 WeakPolarHBondContact OG1-CA 3.47Å; T34-G327 WeakPolarHBondContact O-CA 3.31Å; L323-G327 PolarHBondContact O-N 3.21Å; A324-G327 WeakPolarHBondContact O-CA 3.44Å; A324-G327 PolarHBondContact O-N 3.4Å; G327-P358 WeakPolarHBondContact O-CD 3.39Å |
| 328 | W | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 128.1 | 169.6 | -68.9 | 95.8 | 0 | 0 | 0 | 110.7 | L23 V28 Y38 D297 I299 L323 L355 R357 | L23-W328 HydrophobicContact CD1-CH2 3.72Å; L23-W328 HydrophobicContact CD1-CZ2 3.72Å; V28-W328 HydrophobicContact CG1-CZ2 4.4Å; V28-W328 HydrophobicContact CG2-CZ2 4.41Å; V28-W328 PolarHBondContact O-NE1 3.32Å; Y38-W328 PolarHBondContact OH-O 3.34Å; D297-W328 HydrophobicContact CB-CH2 3.92Å; D297-W328 HydrophobicContact CB-CZ3 4.37Å; I299-W328 HydrophobicContact CB-CE3 4.44Å; I299-W328 HydrophobicContact CB-CZ3 4.2Å; I299-W328 HydrophobicContact CD1-CD2 3.66Å; I299-W328 HydrophobicContact CD1-CE3 3.89Å; I299-W328 HydrophobicContact CD1-CG 4.38Å; I299-W328 HydrophobicContact CD1-CH2 3.64Å; I299-W328 HydrophobicContact CD1-CZ2 3.4Å; I299-W328 HydrophobicContact CD1-CZ3 3.88Å; I299-W328 HydrophobicContact CG1-CD2 4.4Å; I299-W328 HydrophobicContact CG1-CE3 4.13Å; I299-W328 HydrophobicContact CG1-CH2 3.56Å; I299-W328 HydrophobicContact CG1-CZ2 3.86Å; I299-W328 HydrophobicContact CG1-CZ3 3.7Å; L323-W328 HydrophobicContact CB-CB 3.79Å; L323-W328 HydrophobicContact CB-CG 4.07Å; L323-W328 WeakPolarHBondContact O-CB 3.35Å; L323-W328 PolarHBondContact O-N 2.88Å; W328-L355 HydrophobicContact CB-CB 4.48Å; W328-L355 HydrophobicContact CB-CD2 3.89Å; W328-L355 HydrophobicContact CE3-CB 3.97Å; W328-R357 HydrophobicContact CD2-CG 3.93Å; W328-R357 HydrophobicContact CE3-CG 3.99Å; W328-R357 HydrophobicContact CG-CG 4.47Å; W328-R357 HydrophobicContact CH2-CG 4.34Å; W328-R357 HydrophobicContact CZ2-CG 4.28Å; W328-R357 VanDerWaalsContact CZ2-NH1 3.31Å; W328-R357 HydrophobicContact CZ3-CG 4.2Å |
| 329 | L | 93.5 | Very high | 93.1 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 13% | 0.131 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.7 | 175.9 | -174.8 | 61.7 | 0 | 0 | 0 | 109.7 | Y36 Y38 V76 A102 T331 L355 Q356 P358 | Y36-L329 HydrophobicContact CD1-CD1 3.95Å; Y36-L329 HydrophobicContact CE1-CD1 3.95Å; Y36-L329 HydrophobicContact CE2-CB 4.28Å; Y36-L329 HydrophobicContact CG-CD1 4.3Å; Y38-L329 WeakPolarHBondContact OH-CA 3.24Å; V76-L329 HydrophobicContact CG1-CD1 4.37Å; A102-L329 HydrophobicContact CB-CD1 4.05Å; L329-T331 PolarHBondContact O-N 2.97Å; L329-L355 CarbonylContact O-C 3.56Å; L329-L355 VanDerWaalsContact O-CA 3.22Å; L329-L355 WeakPolarHBondContact O-CA 3.31Å; L329-Q356 PolarHBondContact N-O 3.24Å; L329-Q356 PolarHBondContact O-N 3.01Å; L329-P358 HydrophobicContact CB-CG 3.61Å; L329-P358 HydrophobicContact CD2-CG 3.64Å; L329-P358 HydrophobicContact CG-CG 4.28Å |
| 330 | L | 95.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 125.5 | 165.5 | 175.9 | 67.7 | 0 | 0 | 0 | 108.7 | Y38 V76 A77 V100 L320 V333 V353 | Y38-L330 HydrophobicContact CE1-CB 3.96Å; Y38-L330 PolarHBondContact OH-N 3.05Å; V76-L330 HydrophobicContact CG2-CB 4.38Å; V76-L330 HydrophobicContact CG2-CD2 4.17Å; A77-L330 HydrophobicContact CB-CD2 3.76Å; A77-L330 HydrophobicContact CB-CG 4.39Å; V100-L330 HydrophobicContact CB-CD2 3.8Å; V100-L330 HydrophobicContact CG1-CD2 3.63Å; V100-L330 HydrophobicContact CG2-CD2 3.95Å; L320-L330 HydrophobicContact CD1-CD2 4.04Å; L320-L330 HydrophobicContact CD2-CB 4.29Å; L320-L330 HydrophobicContact CD2-CD1 4.37Å; L330-V333 HydrophobicContact CD1-CG2 3.8Å; L330-V333 HydrophobicContact CD2-CG2 4.05Å; L330-V333 HydrophobicContact CG-CG2 4.4Å; L330-V353 HydrophobicContact CD1-CG1 3.36Å |
| 331 | T | 93.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -28.9 | -178.5 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | L261 L329 F354 Q356 | L261-T331 WeakPolarHBondContact O-CB 3.32Å; L329-T331 PolarHBondContact O-N 2.97Å; T331-F354 PolarHBondContact N-O 3.43Å; T331-F354 PolarHBondContact OG1-O 3.35Å; T331-Q356 HydrophobicContact CG2-CB 3.91Å; T331-Q356 HydrophobicContact CG2-CG 4.06Å |
| 332 | C | 95.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 147.6 | 177.7 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | L261 F354 | L261-C332 HydrophobicContact CD2-CB 3.66Å; L261-C332 HydrophobicContact CG-CB 3.77Å; C332-F354 HydrophobicContact CB-CB 4.19Å; C332-F354 HydrophobicContact CB-CD2 4.19Å; C332-F354 HydrophobicContact CB-CG 4.49Å; C332-F354 PolarHBondContact N-O 3.45Å; C332-F354 PolarHBondContact O-N 3.47Å |
| 333 | V | 96.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.2 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | A77 Y316 L330 P335 Q351 V352 | A77-V333 HydrophobicContact CB-CG2 4.04Å; Y316-V333 HydrophobicContact CE1-CG1 4.38Å; L330-V333 HydrophobicContact CD1-CG2 3.8Å; L330-V333 HydrophobicContact CD2-CG2 4.05Å; L330-V333 HydrophobicContact CG-CG2 4.4Å; V333-P335 VanDerWaalsContact O-CD 3.25Å; V333-P335 WeakPolarHBondContact O-CD 3.32Å; V333-Q351 HydrophobicContact CG1-CB 4.26Å; V333-V352 WeakPolarHBondContact CA-O 3.5Å |
| 334 | L | 95.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 108.1 | 173 | 173.2 | 63.9 | 0 | 0 | 0 | 109.2 | L229 M231 W247 S264 V266 V352 F354 | L229-L334 HydrophobicContact CD2-CD1 4.41Å; L229-L334 HydrophobicContact CD2-CD2 4.16Å; M231-L334 HydrophobicContact SD-CD2 3.98Å; W247-L334 HydrophobicContact CH2-CD2 4.03Å; W247-L334 HydrophobicContact CZ3-CD2 3.9Å; S264-L334 WeakPolarHBondContact OG-CD1 3.4Å; V266-L334 HydrophobicContact CG2-CD1 3.81Å; L334-V352 HydrophobicContact CB-CB 4.2Å; L334-V352 PolarHBondContact N-O 2.79Å; L334-V352 PolarHBondContact O-N 2.87Å; L334-F354 HydrophobicContact CB-CE2 4.13Å |
| 335 | P | 92.8 | Very high | 90.1 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 141.8 | 171 | 30 | -35.3 | 0 | 0 | 0 | 110.4 | H79 P80 L83 V333 | H79-P335 HydrophobicContact CB-CG 4.46Å; P80-P335 HydrophobicContact CG-CB 4.05Å; P80-P335 HydrophobicContact CG-CG 4.05Å; L83-P335 HydrophobicContact CB-CB 4.43Å; L83-P335 HydrophobicContact CD2-CB 4.47Å; V333-P335 VanDerWaalsContact O-CD 3.25Å; V333-P335 WeakPolarHBondContact O-CD 3.32Å |
| 336 | T | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 151 | 176.8 | 86 | 0 | 0 | 0 | 0 | 111.2 | L243 I338 K350 V352 | L243-T336 HydrophobicContact CD2-CG2 3.79Å; T336-I338 PolarHBondContact O-N 3.42Å; T336-I338 PolarHBondContact OG1-N 3.35Å; T336-K350 WeakPolarHBondContact CB-O 3.23Å; T336-K350 WeakPolarHBondContact CG2-O 3.32Å; T336-K350 PolarHBondContact N-O 2.89Å; T336-K350 PolarHBondContact OG1-O 3.28Å; T336-V352 HydrophobicContact CG2-CG2 4.2Å |
| 337 | P | 88.6 | Confident | 89.5 | Confident | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.071 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 13.5 | 179.1 | 37.7 | -40.7 | 0 | 0 | 0 | 112.9 | L83 L85 V240 W268 I339 | L83-P337 HydrophobicContact CD2-CB 4.33Å; L83-P337 WeakPolarHBondContact O-CA 3.39Å; L85-P337 HydrophobicContact CD1-CB 3.37Å; L85-P337 HydrophobicContact CD1-CG 3.74Å; L85-P337 HydrophobicContact CD2-CB 4.08Å; L85-P337 HydrophobicContact CG-CB 3.53Å; L85-P337 HydrophobicContact CG-CG 4.41Å; V240-P337 HydrophobicContact CB-CG 4.06Å; V240-P337 HydrophobicContact CG1-CG 4.15Å; V240-P337 HydrophobicContact CG2-CG 4.1Å; W268-P337 HydrophobicContact CD2-CG 3.92Å; W268-P337 HydrophobicContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CE3-CG 3.46Å; W268-P337 VanDerWaalsContact CH2-CD 3.47Å; W268-P337 HydrophobicContact CH2-CG 4.18Å; W268-P337 VanDerWaalsContact CZ3-CD 3.44Å; W268-P337 HydrophobicContact CZ3-CG 3.61Å; P337-I339 PolarHBondContact O-N 2.92Å |
| 338 | I | 89.6 | Confident | 89.4 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.8 | 179.3 | -59.3 | 167.6 | 0 | 0 | 0 | 107.4 | V240 L243 W304 T336 T349 K350 | V240-I338 HydrophobicContact CG1-CG1 4.04Å; L243-I338 HydrophobicContact CB-CD1 3.83Å; W304-I338 HydrophobicContact CH2-CG2 3.65Å; W304-I338 HydrophobicContact CZ3-CG2 4.14Å; T336-I338 PolarHBondContact O-N 3.42Å; T336-I338 PolarHBondContact OG1-N 3.35Å; I338-T349 VanDerWaalsContact O-CA 3.31Å; I338-T349 WeakPolarHBondContact O-CA 3.37Å; I338-T349 PolarHBondContact O-OG1 2.85Å; I338-K350 HydrophobicContact CB-CB 4.18Å; I338-K350 HydrophobicContact CD1-CB 4.42Å; I338-K350 HydrophobicContact CD1-CD 4.09Å; I338-K350 HydrophobicContact CG2-CB 4.47Å; I338-K350 PolarHBondContact O-N 2.88Å |
| 339 | I | 87.4 | Confident | 89.3 | Confident | 40 Ų | 40 | 35.9 Ų | 35.9 | 21% | 0.205 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.8 | 179.7 | -56.2 | 175 | 0 | 0 | 0 | 108.7 | I82 L91 P337 L347 A348 | I82-I339 HydrophobicContact CG2-CD1 3.81Å; I82-I339 HydrophobicContact CG2-CG1 4.5Å; L91-I339 HydrophobicContact CD1-CD1 3.57Å; P337-I339 PolarHBondContact O-N 2.92Å; I339-L347 HydrophobicContact CG2-CD2 3.85Å; I339-A348 CarbonylContact C-O 3.59Å; I339-A348 WeakPolarHBondContact CA-O 3.49Å |
| 340 | R | 87.7 | Confident | 89.2 | Confident | 93 Ų | 93 | 36.1 Ų | 36.1 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 164.6 | 174.5 | -63.9 | -173.1 | -179.1 | -173.7 | -2.6 | 109.5 | D13 W304 A348 | D13-R340 IonicContact OD1-CZ 2.71Å; D13-R340 IonicContact OD1-NH1 2.67Å; D13-R340 PolarHBondContact OD1-NH1 3.49Å; D13-R340 IonicContact OD1-NH2 3.52Å; D13-R340 PolarHBondContact OD1-NH2 2.98Å; W304-R340 HydrophobicContact CH2-CG 3.75Å; W304-R340 HydrophobicContact CZ3-CB 4.27Å; W304-R340 HydrophobicContact CZ3-CG 3.92Å; R340-A348 HydrophobicContact CB-CB 4.42Å; R340-A348 PolarHBondContact N-O 2.76Å; R340-A348 PolarHBondContact O-N 3.28Å |
| 341 | H | 85.8 | Confident | 89.1 | Confident | 129 Ų | 129 | 36 Ų | 36 | 60% | 0.597 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.8 | 166.8 | -63.2 | 73.8 | 0 | 0 | 0 | 107.9 | N346 L347 | H341-N346 CarbonylContact C-O 3.56Å; H341-N346 VanDerWaalsContact CA-O 3.22Å; H341-N346 WeakPolarHBondContact CA-O 3.32Å; H341-L347 WeakPolarHBondContact NE2-CD2 3.43Å |
| 342 | D | 81 | Confident | 89.2 | Confident | 53 Ų | 53 | 35.6 Ų | 35.6 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | trans | -78.8 | -179 | 172 | 71.8 | 9 | 0 | 0 | 0 | 111.5 | D344 G345 N346 | D342-D344 PolarHBondContact O-N 3.49Å; D342-D344 WeakPolarHBondContact OD1-CA 2.96Å; D342-D344 PolarHBondContact OD1-N 2.79Å; D342-G345 PolarHBondContact O-N 3.3Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.41Å; D342-N346 PolarHBondContact N-O 2.77Å; D342-N346 WeakPolarHBondContact OD1-CB 3.36Å; D342-N346 PolarHBondContact OD1-N 3.28Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å; D342-N346 VanDerWaalsContact OD2-CB 3.29Å; D342-N346 WeakPolarHBondContact OD2-CB 3.46Å; D342-N346 PolarHBondContact OD2-ND2 3.34Å | ||
| 343 | S | 80.6 | Confident | 89.2 | Confident | 118 Ų | 118 | 35.5 Ų | 35.5 | 83% | 0.825 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.6 | 178.9 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||
| 344 | D | 82.6 | Confident | 89.2 | Confident | 132 Ų | 132 | 35 Ų | 35 | 71% | 0.706 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6 | -178.4 | -59.4 | -50.6 | 0 | 0 | 0 | 111.8 | D342 | D342-D344 PolarHBondContact O-N 3.49Å; D342-D344 WeakPolarHBondContact OD1-CA 2.96Å; D342-D344 PolarHBondContact OD1-N 2.79Å |
| 345 | G | 83 | Confident | 89.1 | Confident | 47 Ų | 47 | 35 Ų | 35 | 49% | 0.485 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 90.3 | 8.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D342 | D342-G345 PolarHBondContact O-N 3.3Å; D342-G345 VanDerWaalsContact O-N 3.17Å; D342-G345 PolarHBondContact OD1-N 3.41Å |
| 346 | N | 86.3 | Confident | 89 | Confident | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | trans | -72 | 150.2 | 175.9 | -53.2 | -52.3 | 0 | 0 | 0 | 110.9 | V306 T307 E308 H341 D342 | V306-N346 HydrophobicContact CG1-CB 3.81Å; T307-N346 WeakPolarHBondContact O-CB 3.49Å; E308-N346 WeakPolarHBondContact CB-OD1 3.41Å; E308-N346 WeakPolarHBondContact CG-OD1 3.24Å; H341-N346 CarbonylContact C-O 3.56Å; H341-N346 VanDerWaalsContact CA-O 3.22Å; H341-N346 WeakPolarHBondContact CA-O 3.32Å; D342-N346 PolarHBondContact N-O 2.77Å; D342-N346 WeakPolarHBondContact OD1-CB 3.36Å; D342-N346 PolarHBondContact OD1-N 3.28Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å; D342-N346 VanDerWaalsContact OD2-CB 3.29Å; D342-N346 WeakPolarHBondContact OD2-CB 3.46Å; D342-N346 PolarHBondContact OD2-ND2 3.34Å | ||
| 347 | L | 87.1 | Confident | 88.7 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 9% | 0.094 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.7 | 177.9 | -72.6 | 167.7 | 0 | 0 | 0 | 109.9 | I82 P92 F93 V306 T307 I339 H341 | I82-L347 HydrophobicContact CD1-CB 4.4Å; I82-L347 HydrophobicContact CD1-CD1 4.16Å; P92-L347 HydrophobicContact CG-CD1 4.16Å; F93-L347 HydrophobicContact CD2-CD1 3.77Å; F93-L347 HydrophobicContact CE2-CD1 3.95Å; V306-L347 CarbonylContact C-O 3.55Å; V306-L347 WeakPolarHBondContact CA-O 3.26Å; T307-L347 PolarHBondContact N-O 2.97Å; T307-L347 PolarHBondContact O-N 2.75Å; T307-L347 PolarHBondContact OG1-O 3.46Å; I339-L347 HydrophobicContact CG2-CD2 3.85Å; H341-L347 WeakPolarHBondContact NE2-CD2 3.43Å |
| 348 | A | 88.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 38.6 Ų | 38.6 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | W304 T305 V306 I339 R340 | W304-A348 HydrophobicContact CE3-CB 4.07Å; W304-A348 HydrophobicContact CZ3-CB 4.49Å; T305-A348 CarbonylContact O-C 3.56Å; T305-A348 WeakPolarHBondContact O-CA 3.39Å; V306-A348 HydrophobicContact CG2-CB 3.97Å; I339-A348 CarbonylContact C-O 3.59Å; I339-A348 WeakPolarHBondContact CA-O 3.49Å; R340-A348 HydrophobicContact CB-CB 4.42Å; R340-A348 PolarHBondContact N-O 2.76Å; R340-A348 PolarHBondContact O-N 3.28Å |
| 349 | T | 90.3 | Very high | 86.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.1 | 178.5 | 176.4 | 0 | 0 | 0 | 0 | 111 | I81 I82 W304 T305 I338 | I81-T349 VanDerWaalsContact O-CG2 3.3Å; I81-T349 WeakPolarHBondContact O-CG2 3.26Å; I82-T349 HydrophobicContact CG1-CG2 4.41Å; W304-T349 CarbonylContact C-O 3.54Å; W304-T349 WeakPolarHBondContact CA-O 3.32Å; T305-T349 PolarHBondContact N-O 3.28Å; T305-T349 PolarHBondContact O-N 3.04Å; I338-T349 VanDerWaalsContact O-CA 3.31Å; I338-T349 WeakPolarHBondContact O-CA 3.37Å; I338-T349 PolarHBondContact O-OG1 2.85Å |
| 350 | K | 91.8 | Very high | 85.3 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 13% | 0.13 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.4 | -179.8 | -165.4 | 177.3 | -178.6 | -177.4 | 0 | 110.8 | E302 Q303 W304 T336 I338 | E302-K350 WeakPolarHBondContact OE2-CE 3.49Å; E302-K350 IonicContact OE2-NZ 2.82Å; E302-K350 PolarHBondContact OE2-NZ 2.65Å; Q303-K350 CarbonylContact O-C 3.56Å; Q303-K350 WeakPolarHBondContact O-CA 3.22Å; W304-K350 HydrophobicContact CD2-CB 4.28Å; W304-K350 HydrophobicContact CE3-CB 4.04Å; W304-K350 HydrophobicContact CH2-CB 4.08Å; W304-K350 HydrophobicContact CZ2-CB 4.35Å; W304-K350 HydrophobicContact CZ2-CD 4.14Å; W304-K350 HydrophobicContact CZ3-CB 3.94Å; T336-K350 WeakPolarHBondContact CB-O 3.23Å; T336-K350 WeakPolarHBondContact CG2-O 3.32Å; T336-K350 PolarHBondContact N-O 2.89Å; T336-K350 PolarHBondContact OG1-O 3.28Å; I338-K350 HydrophobicContact CB-CB 4.18Å; I338-K350 HydrophobicContact CD1-CB 4.42Å; I338-K350 HydrophobicContact CD1-CD 4.09Å; I338-K350 HydrophobicContact CG2-CB 4.47Å; I338-K350 PolarHBondContact O-N 2.88Å |
| 351 | Q | 93.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.7 | 176.1 | -68.4 | 162.6 | -9.6 | 0 | 0 | 109.1 | H79 I81 E302 Q303 T305 Y316 V333 | H79-Q351 PolarHBondContact CE1-NE2 2.97Å; I81-Q351 PolarHBondContact O-NE2 3.23Å; I81-Q351 VanDerWaalsContact O-NE2 3.13Å; E302-Q351 WeakPolarHBondContact CA-O 3.26Å; Q303-Q351 PolarHBondContact N-O 3.3Å; Q303-Q351 PolarHBondContact O-N 3.42Å; T305-Q351 PolarHBondContact OG1-OE1 3.16Å; Y316-Q351 VanDerWaalsContact CE1-OE1 3.28Å; V333-Q351 HydrophobicContact CG1-CB 4.26Å |
| 352 | V | 95.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.4 | 173.6 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | W247 V300 V301 E302 V333 L334 T336 F354 | W247-V352 HydrophobicContact CD2-CG1 4.12Å; W247-V352 HydrophobicContact CE3-CG1 4.42Å; W247-V352 HydrophobicContact CG-CG1 4.5Å; W247-V352 HydrophobicContact CH2-CG2 4.06Å; W247-V352 HydrophobicContact CZ2-CG1 4.4Å; W247-V352 HydrophobicContact CZ2-CG2 3.82Å; V300-V352 HydrophobicContact CG1-CG1 3.42Å; V300-V352 VanDerWaalsContact CG1-CG1 3.42Å; V301-V352 CarbonylContact O-C 3.57Å; V301-V352 WeakPolarHBondContact O-CA 3.46Å; E302-V352 HydrophobicContact CG-CG2 4.2Å; V333-V352 WeakPolarHBondContact CA-O 3.5Å; L334-V352 HydrophobicContact CB-CB 4.2Å; L334-V352 PolarHBondContact N-O 2.79Å; L334-V352 PolarHBondContact O-N 2.87Å; T336-V352 HydrophobicContact CG2-CG2 4.2Å; V352-F354 HydrophobicContact CB-CE2 4.12Å; V352-F354 HydrophobicContact CG1-CD2 4.49Å; V352-F354 HydrophobicContact CG1-CE2 3.72Å; V352-F354 HydrophobicContact CG1-CZ 3.75Å |
| 353 | V | 96.3 | Very high | 78.1 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.6 | -171.9 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | V300 V301 Y316 L320 L330 L355 | V300-V353 CarbonylContact C-O 3.51Å; V300-V353 WeakPolarHBondContact CA-O 3.49Å; V301-V353 HydrophobicContact CB-CB 4.31Å; V301-V353 PolarHBondContact N-O 3.44Å; V301-V353 PolarHBondContact O-N 3.31Å; Y316-V353 HydrophobicContact CD1-CG2 3.61Å; Y316-V353 HydrophobicContact CE1-CG2 4.14Å; Y316-V353 HydrophobicContact CG-CG2 3.91Å; L320-V353 HydrophobicContact CD2-CG1 4.32Å; L330-V353 HydrophobicContact CD1-CG1 3.36Å; V353-L355 HydrophobicContact CG1-CD1 3.92Å |
| 354 | F | 96.3 | Very high | 75.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.5 | -179.5 | -62.2 | -96.9 | 0 | 0 | 0 | 110 | W247 T251 L261 F284 V300 T331 C332 L334 V352 | W247-F354 HydrophobicContact CB-CE1 4.36Å; W247-F354 AromaticContact CE3-CZ 3.96Å; W247-F354 HydrophobicContact CE3-CZ 3.96Å; T251-F354 HydrophobicContact CG2-CD1 4.49Å; T251-F354 HydrophobicContact CG2-CE1 4.21Å; L261-F354 HydrophobicContact CD2-CB 3.99Å; L261-F354 HydrophobicContact CD2-CD1 3.77Å; L261-F354 HydrophobicContact CD2-CD2 3.99Å; L261-F354 HydrophobicContact CD2-CE1 4.26Å; L261-F354 HydrophobicContact CD2-CE2 4.44Å; L261-F354 HydrophobicContact CD2-CG 3.64Å; F284-F354 HydrophobicContact CE1-CZ 4.3Å; F284-F354 HydrophobicContact CZ-CE1 4.35Å; F284-F354 AromaticContact CZ-CZ 3.94Å; F284-F354 HydrophobicContact CZ-CZ 3.94Å; V300-F354 HydrophobicContact CB-CD1 4.44Å; V300-F354 HydrophobicContact CB-CE1 4.48Å; V300-F354 HydrophobicContact CG1-CD1 4.08Å; V300-F354 HydrophobicContact CG1-CE1 3.82Å; V300-F354 HydrophobicContact CG1-CZ 4.17Å; V300-F354 HydrophobicContact CG2-CD1 3.62Å; V300-F354 HydrophobicContact CG2-CE1 3.79Å; T331-F354 PolarHBondContact N-O 3.43Å; T331-F354 PolarHBondContact OG1-O 3.35Å; C332-F354 HydrophobicContact CB-CB 4.19Å; C332-F354 HydrophobicContact CB-CD2 4.19Å; C332-F354 HydrophobicContact CB-CG 4.49Å; C332-F354 PolarHBondContact N-O 3.45Å; C332-F354 PolarHBondContact O-N 3.47Å; L334-F354 HydrophobicContact CB-CE2 4.13Å; V352-F354 HydrophobicContact CB-CE2 4.12Å; V352-F354 HydrophobicContact CG1-CD2 4.49Å; V352-F354 HydrophobicContact CG1-CE2 3.72Å; V352-F354 HydrophobicContact CG1-CZ 3.75Å |
| 355 | L | 94.4 | Very high | 73.3 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.2 | 175.5 | -58.3 | 95.5 | 0 | 0 | 0 | 111.1 | T298 I299 V301 L320 L323 W328 L329 V353 | T298-L355 WeakPolarHBondContact CA-O 3.41Å; I299-L355 HydrophobicContact CB-CB 4.36Å; I299-L355 HydrophobicContact CB-CD1 4.46Å; I299-L355 HydrophobicContact CG2-CD1 4.25Å; I299-L355 PolarHBondContact N-O 2.72Å; I299-L355 PolarHBondContact O-N 3.13Å; V301-L355 HydrophobicContact CG2-CD1 4.23Å; L320-L355 HydrophobicContact CD2-CD1 4.48Å; L320-L355 HydrophobicContact CD2-CD2 3.67Å; L320-L355 HydrophobicContact CD2-CG 4.27Å; L323-L355 HydrophobicContact CB-CD2 4.28Å; L323-L355 HydrophobicContact CD1-CD1 4.3Å; L323-L355 HydrophobicContact CD1-CD2 3.8Å; W328-L355 HydrophobicContact CB-CB 4.48Å; W328-L355 HydrophobicContact CB-CD2 3.89Å; W328-L355 HydrophobicContact CE3-CB 3.97Å; L329-L355 CarbonylContact O-C 3.56Å; L329-L355 VanDerWaalsContact O-CA 3.22Å; L329-L355 WeakPolarHBondContact O-CA 3.31Å; V353-L355 HydrophobicContact CG1-CD1 3.92Å |
| 356 | Q | 91 | Very high | 70.7 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 154.5 | 174.2 | -58.7 | -171.6 | -91.9 | 0 | 0 | 110.2 | Y255 S260 L329 T331 P358 | Y255-Q356 VanDerWaalsContact CE1-CD 3.43Å; Y255-Q356 VanDerWaalsContact CZ-CD 3.46Å; S260-Q356 PolarHBondContact OG-OE1 2.6Å; L329-Q356 PolarHBondContact N-O 3.24Å; L329-Q356 PolarHBondContact O-N 3.01Å; T331-Q356 HydrophobicContact CG2-CB 3.91Å; T331-Q356 HydrophobicContact CG2-CG 4.06Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å |
| 357 | R | 85.3 | Confident | 68.1 | Low | 32 Ų | 32 | 56.2 Ų | 56.2 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 123.4 | 168 | -79.6 | -164.3 | -79.6 | -117.6 | 9.2 | 109.9 | Q27 V28 D297 W328 V359 | Q27-R357 PolarHBondContact O-NH1 2.86Å; Q27-R357 PolarHBondContact O-NH2 2.8Å; Q27-R357 VanDerWaalsContact O-NH2 3.12Å; V28-R357 PolarHBondContact O-NH1 3.19Å; D297-R357 HydrophobicContact CB-CB 4.36Å; D297-R357 VanDerWaalsContact CG-NH2 3.34Å; D297-R357 IonicContact OD1-NH2 2.92Å; D297-R357 IonicContact OD2-CZ 3.81Å; D297-R357 IonicContact OD2-NE 3.08Å; D297-R357 PolarHBondContact OD2-NE 3.17Å; D297-R357 IonicContact OD2-NH2 2.73Å; D297-R357 PolarHBondContact OD2-NH2 3.37Å; W328-R357 HydrophobicContact CD2-CG 3.93Å; W328-R357 HydrophobicContact CE3-CG 3.99Å; W328-R357 HydrophobicContact CG-CG 4.47Å; W328-R357 HydrophobicContact CH2-CG 4.34Å; W328-R357 HydrophobicContact CZ2-CG 4.28Å; W328-R357 VanDerWaalsContact CZ2-NH1 3.31Å; W328-R357 HydrophobicContact CZ3-CG 4.2Å; R357-V359 PolarHBondContact O-N 2.91Å |
| 358 | P | 75.4 | Confident | 65.4 | Low | 56 Ų | 56 | 64.9 Ų | 64.9 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 135.9 | 178.4 | -29.2 | 42.6 | 0 | 0 | 0 | 111.4 | Y36 G327 L329 Q356 | Y36-P358 HydrophobicContact CE2-CG 4.36Å; Y36-P358 VanDerWaalsContact OH-CG 3.31Å; Y36-P358 WeakPolarHBondContact OH-CG 3.44Å; G327-P358 WeakPolarHBondContact O-CD 3.39Å; L329-P358 HydrophobicContact CB-CG 3.61Å; L329-P358 HydrophobicContact CD2-CG 3.64Å; L329-P358 HydrophobicContact CG-CG 4.28Å; Q356-P358 WeakPolarHBondContact O-CD 3.31Å |
| 359 | V | 63.1 | Low | 62.5 | Low | 65 Ų | 65 | 71 Ų | 71 | 39% | 0.394 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 121.1 | -174.4 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | P294 P295 R357 S361 | P294-V359 HydrophobicContact CB-CB 3.71Å; P294-V359 HydrophobicContact CB-CG1 3.71Å; P294-V359 HydrophobicContact CB-CG2 3.01Å; P294-V359 HydrophobicContact CG-CG2 4.21Å; P295-V359 HydrophobicContact CG-CG2 4.25Å; R357-V359 PolarHBondContact O-N 2.91Å; V359-S361 PolarHBondContact O-N 2.86Å |
| 360 | R | 56.3 | Low | 59.7 | Low | 146 Ų | 146 | 80.2 Ų | 80.2 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 123.8 | 176 | -71.1 | -173.1 | 169.6 | 163.9 | 3 | 108.7 | D33 T34 S362 | D33-R360 IonicContact OD2-CZ 2.94Å; D33-R360 IonicContact OD2-NH1 2.73Å; D33-R360 PolarHBondContact OD2-NH1 2.83Å; T34-R360 PolarHBondContact OG1-NH2 2.86Å; R360-S362 PolarHBondContact O-N 3.35Å |
| 361 | S | 40.4 | Very low | 56.6 | Low | 59 Ų | 59 | 85.4 Ų | 85.4 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | trans | -59.6 | 108.8 | 151.7 | 51.2 | 0 | 0 | 0 | 0 | 106.2 | V359 T363 | V359-S361 PolarHBondContact O-N 2.86Å; S361-T363 PolarHBondContact O-N 3.24Å | ||
| 362 | S | 33.7 | Very low | 53.7 | Low | 106 Ų | 106 | 91.2 Ų | 91.2 | 74% | 0.741 | 50% | 0.5 | S | S | * | . | trans | -62 | 109.8 | 166.8 | 59.3 | 0 | 0 | 0 | 0 | 106 | R360 | R360-S362 PolarHBondContact O-N 3.35Š| ||
| 363 | T | 28.7 | Very low | 50.6 | Low | 122 Ų | 122 | 96.3 Ų | 96.3 | 75% | 0.748 | 54% | 0.536 | S | S | * | . | trans | -50.2 | 132 | 159.8 | -31.7 | 0 | 0 | 0 | 0 | 106 | S361 G365 | S361-T363 PolarHBondContact O-N 3.24Å; T363-G365 PolarHBondContact O-N 2.93Å | ||
| 364 | P | 30.9 | Very low | 47.3 | Very low | 121 Ų | 121 | 100.3 Ų | 100.3 | 79% | 0.786 | 57% | 0.569 | S | S | * | * | trans | -64.7 | 87.4 | 177.8 | 24.8 | -30.7 | 0 | 0 | 0 | 107.9 | Y366 | P364-Y366 PolarHBondContact O-N 3.04Š| ||
| 365 | G | 31.4 | Very low | 44.1 | Very low | 65 Ų | 65 | 109.4 Ų | 109.4 | 67% | 0.67 | 61% | 0.611 | S | S | * | * | trans | -69.3 | 117.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 107 | T363 | T363-G365 PolarHBondContact O-N 2.93Š| ||
| 366 | Y | 28.6 | Very low | 40.9 | Very low | 218 Ų | 218 | 114.9 Ų | 114.9 | 86% | 0.855 | 65% | 0.65 | S | S | * | * | trans | -29 | 131 | 160.9 | -80.3 | -96.6 | 0 | 0 | 0 | 111.2 | P364 K368 | P364-Y366 PolarHBondContact O-N 3.04Å; Y366-K368 PolarHBondContact O-N 3.28Å | ||
| 367 | P | 31.4 | Very low | 37.9 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 70% | 0.695 | 69% | 0.685 | S | S | * | * | trans | -60.3 | 110.8 | 178.7 | 24 | -31 | 0 | 0 | 0 | 108.3 | N369 | P367-N369 PolarHBondContact O-N 3.38Š| ||
| 368 | K | 29.3 | Very low | 35.2 | Very low | 201 Ų | 201 | 127.8 Ų | 127.8 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | trans | -65.6 | 93.1 | 161.9 | -81.8 | -177.9 | 176.5 | 177.3 | 0 | 106.2 | Y366 K370 | Y366-K368 PolarHBondContact O-N 3.28Å; K368-K370 PolarHBondContact O-N 3.35Å | ||
| 369 | N | 28 | Very low | 32.8 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -54.6 | 106.9 | 166.2 | -75.4 | -14.4 | 0 | 0 | 0 | 107.4 | P367 T371 | P367-N369 PolarHBondContact O-N 3.38Å; N369-T371 PolarHBondContact O-N 3.13Å | ||
| 370 | K | 31.3 | Very low | 31.2 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -64.6 | 103.2 | 162.9 | -82.4 | 179.9 | 174 | 177.1 | 0 | 106.5 | K368 V372 | K368-K370 PolarHBondContact O-N 3.35Å; K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.46Å | ||
| 371 | T | 27.9 | Very low | 29.9 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -65.5 | 95.7 | 165.1 | -31 | 0 | 0 | 0 | 0 | 107.1 | N369 S373 | N369-T371 PolarHBondContact O-N 3.13Å; T371-S373 PolarHBondContact O-N 2.87Å | ||
| 372 | V | 31.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -80.4 | 109.4 | 162.4 | 176.8 | 0 | 0 | 0 | 0 | 105.8 | K370 A374 | K370-V372 VanDerWaalsContact C-N 3.32Å; K370-V372 PolarHBondContact O-N 3.46Å; V372-A374 PolarHBondContact O-N 2.65Å | ||
| 373 | S | 30.5 | Very low | 29 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -66 | 112.6 | 166 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | T371 | T371-S373 PolarHBondContact O-N 2.87Š| ||
| 374 | A | 27.8 | Very low | 29 | Very low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -128.9 | 106.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | V372 | V372-A374 PolarHBondContact O-N 2.65Š| ||
| 375 | H | 28.4 | Very low | 28.8 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 89% | 0.889 | 80% | 0.803 | S | S | * | * | trans | -63.2 | 125 | 162.2 | -90.5 | -88.7 | 0 | 0 | 0 | 109 | ||||
| 376 | S | 27.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -168.7 | 130 | 142.5 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 377 | D | 28.2 | Very low | 28.4 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | -69.5 | 162 | -173 | -80 | -53.4 | 0 | 0 | 0 | 116.9 | ||||
| 378 | M | 29.1 | Very low | 28.2 | Very low | 167 Ų | 167 | 143 Ų | 143 | 82% | 0.823 | 80% | 0.802 | S | S | * | * | trans | 88.6 | 115.2 | 144.5 | -84 | -75.5 | 153.4 | 0 | 0 | 122.4 | ||||
| 379 | S | 25.4 | Very low | 28 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | 57.6 | 133.2 | 138.9 | -114.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 380 | S | 28.7 | Very low | 27.9 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | cis | -169.2 | 155.7 | 40 | 52.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 381 | R | 28.1 | Very low | 27.8 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -23.7 | 142.2 | 165.7 | -63.6 | 171.5 | 169.8 | -178.5 | -3.7 | 118.6 | ||||
| 382 | S | 29.2 | Very low | 28.1 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -168.8 | 145.7 | 120.5 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 383 | V | 27 | Very low | 27.9 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | -98.7 | 150.4 | -170.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 384 | S | 28.8 | Very low | 27.8 | Very low | 107 Ų | 107 | 133.9 Ų | 133.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 151.2 | 111.6 | 132.1 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 385 | R | 26.7 | Very low | 27.6 | Very low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | 64.7 | 110 | 85.7 | -103.7 | -175.2 | 171.6 | 156.4 | -1.9 | 115.8 | |||||
| 386 | A | 25.3 | Very low | 27.5 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | 170.2 | 119.7 | 112.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 387 | V | 26.7 | Very low | 27.3 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | 50.4 | 123 | 99.2 | -150.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 388 | S | 26.9 | Very low | 27.2 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | -177 | 149.4 | 51 | -33.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 389 | S | 24 | Very low | 27 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 43.8 | 140.8 | 136.1 | 63.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 390 | S | 27.3 | Very low | 27 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | cis | -178.1 | 146.1 | 32 | 34.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 391 | T | 28 | Very low | 26.8 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -81 | 157.6 | 160.7 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 392 | P | 35.6 | Very low | 26.7 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | -146.3 | 167 | 85.6 | 31.5 | -9.8 | 0 | 0 | 0 | 116.7 | |||||
| 393 | T | 26.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -35.8 | 156.1 | 159.5 | 47.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 394 | V | 28.5 | Very low | 26.7 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -172.4 | 150.1 | 67.2 | -132.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 395 | D | 23.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 119.8 Ų | 119.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 57.5 | 132.4 | 138.8 | -66.1 | -17.3 | 0 | 0 | 0 | 127.5 | ||||
| 396 | L | 26.5 | Very low | 26.6 | Very low | 151 Ų | 151 | 111.8 Ų | 111.8 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 30.1 | 126.7 | 144.1 | -78.3 | 86.3 | 0 | 0 | 0 | 120.4 | ||||
| 397 | S | 24.4 | Very low | 26.9 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 177.4 | 146 | 107.4 | -75.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 398 | S | 26.2 | Very low | 27.3 | Very low | 113 Ų | 113 | 116.3 Ų | 116.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 145.1 | 173.9 | 137.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 399 | A | 24.8 | Very low | 27.3 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 102.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 400 | T | 25.1 | Very low | 27.6 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | 11.2 | 135.1 | 136 | 52.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 401 | G | 24.2 | Very low | 27.6 | Very low | 84 Ų | 84 | 122 Ų | 122 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | 142.4 | 115.4 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 402 | G | 25.8 | Very low | 27.4 | Very low | 87 Ų | 87 | 119.5 Ų | 119.5 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | 113.6 | 117.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 403 | G | 25.7 | Very low | 26.9 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | cis | 141.3 | 99.8 | 28.8 | 0 | 0 | 0 | 0 | 0 | 105.3 | G405 | G403-G405 PolarHBondContact O-N 2.96Š| ||
| 404 | I | 30.4 | Very low | 26.9 | Very low | 179 Ų | 179 | 122.6 Ų | 122.6 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | trans | -60 | 118.3 | -170 | -39.6 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 405 | G | 27.4 | Very low | 26.8 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -99.7 | 107 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G403 | G403-G405 PolarHBondContact O-N 2.96Š| ||
| 406 | G | 26.3 | Very low | 26.9 | Very low | 76 Ų | 76 | 119.3 Ų | 119.3 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 144.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 407 | F | 30.7 | Very low | 26.8 | Very low | 195 Ų | 195 | 118.2 Ų | 118.2 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 149.8 | 171.2 | -71.4 | -86.7 | 0 | 0 | 0 | 110.7 | ||
| 408 | P | 35 | Very low | 27 | Very low | 124 Ų | 124 | 120.7 Ų | 120.7 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.6 | -171.6 | 30.1 | -32 | 0 | 0 | 0 | 112.1 | ||
| 409 | V | 28.2 | Very low | 27.1 | Very low | 142 Ų | 142 | 120.6 Ų | 120.6 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 143.2 | 175.4 | 167.1 | 0 | 0 | 0 | 0 | 110 | ||
| 410 | F | 30.1 | Very low | 27.2 | Very low | 209 Ų | 209 | 123.4 Ų | 123.4 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.9 | 176.3 | -97.8 | -99.3 | 0 | 0 | 0 | 113.2 | ||
| 411 | G | 27.1 | Very low | 27.4 | Very low | 82 Ų | 82 | 124.3 Ų | 124.3 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 115.7 | 106.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 412 | G | 24.3 | Very low | 27.6 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | 154.8 | 107.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 413 | G | 23.8 | Very low | 27.6 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 74.3 | 107.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 414 | Y | 27.7 | Very low | 27.7 | Very low | 233 Ų | 233 | 131.6 Ų | 131.6 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -54.6 | 135.2 | 158.7 | 10.7 | -97.7 | 0 | 0 | 0 | 112.1 | ||||
| 415 | S | 25.2 | Very low | 27.4 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -151.5 | 119.8 | 145.4 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 416 | G | 25.4 | Very low | 27.5 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | -81.7 | 146.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 417 | S | 26 | Very low | 27.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -164.2 | 122.8 | 142.1 | -82.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 418 | L | 28.3 | Very low | 27.7 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -66.1 | 142 | 167.1 | -85.4 | 151.6 | 0 | 0 | 0 | 110.9 | ||||
| 419 | S | 28.6 | Very low | 27.5 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | -175.2 | 114.8 | 124.9 | 55.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 420 | H | 25.3 | Very low | 27.6 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | 64.2 | 103.5 | 121 | -156.2 | -84 | 0 | 0 | 0 | 120.1 | |||||
| 421 | L | 30.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | -165.8 | 116.5 | 123 | -108 | 142.3 | 0 | 0 | 0 | 110.9 | |||||
| 422 | E | 27.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -11.7 | 152.6 | 139.5 | -92.9 | 173.9 | 141.2 | 0 | 0 | 115.8 | ||||
| 423 | E | 26.3 | Very low | 28.3 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | cis | -175.6 | 144.3 | 16.2 | 169.1 | 177.4 | -160.8 | 0 | 0 | 105.1 | ||||
| 424 | G | 27.4 | Very low | 28.7 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 160.7 | 82.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 425 | G | 25 | Very low | 28.9 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -71.2 | 139.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 426 | F | 28.2 | Very low | 29.1 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | trans | -143 | 114.4 | 148.9 | -86.6 | -82 | 0 | 0 | 0 | 107.8 | ||||
| 427 | E | 30.4 | Very low | 29.3 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -69.9 | 126.6 | 164.8 | -60.9 | 176.2 | 123.8 | 0 | 0 | 108.7 | ||||
| 428 | Q | 31.4 | Very low | 29.6 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | -171.7 | 128.8 | 130 | -125.3 | 157.7 | 34.4 | 0 | 0 | 114.7 | |||||
| 429 | E | 30.8 | Very low | 29.6 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | 61.5 | 87.4 | 152.6 | -95.8 | -177.4 | 138.5 | 0 | 0 | 119.7 | G431 | E429-G431 PolarHBondContact O-N 3.48Š| ||
| 430 | E | 30.1 | Very low | 29.7 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -56.4 | 96.4 | 152.2 | -170.9 | 175.9 | -176.8 | 0 | 0 | 110.5 | K432 | E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 3.23Å | ||
| 431 | G | 31.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 148.6 Ų | 148.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -69.8 | 84 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E429 A433 | E429-G431 PolarHBondContact O-N 3.48Å; G431-A433 PolarHBondContact O-N 3.45Å | ||
| 432 | K | 28 | Very low | 29.9 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | -60.1 | 119.5 | 173.6 | -166.1 | 177 | -176.4 | -177.7 | 0 | 110.2 | E430 E434 | E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 3.23Å; K432-E434 PolarHBondContact O-N 3.47Å | ||
| 433 | A | 36.7 | Very low | 30 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -64.6 | 112.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | G431 | G431-A433 PolarHBondContact O-N 3.45Š| ||
| 434 | E | 32 | Very low | 30.3 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | -98 | 109.8 | -178.9 | -153.6 | 170.9 | -154 | 0 | 0 | 109.2 | K432 T436 | K432-E434 PolarHBondContact O-N 3.47Å; E434-T436 PolarHBondContact O-N 2.84Å | ||
| 435 | V | 31.5 | Very low | 30.5 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -68.3 | 109 | 172 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 436 | T | 31 | Very low | 30.9 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 73% | 0.73 | 84% | 0.835 | S | S | * | * | trans | -101 | 108.9 | 173.2 | -10.8 | 0 | 0 | 0 | 0 | 108.8 | E434 | E434-T436 PolarHBondContact O-N 2.84Š| ||
| 437 | C | 28.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 71% | 0.709 | 83% | 0.827 | S | S | * | * | trans | -72.4 | 141.7 | 169.6 | -55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 438 | M | 31.7 | Very low | 31.2 | Very low | 202 Ų | 202 | 149.3 Ų | 149.3 | 100% | 0.995 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 0 | 164.3 | -76.2 | -156.6 | -74.3 | 0 | 0 | 111.3 | I19 L319 | I19-M438 HydrophobicContact CD1-CE 4.43Å; L319-M438 HydrophobicContact CD1-CE 4.47Å |
Retrieved 438 of 438 residues in 111.6 ms
(Link to these results)