| 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 | 41.6 | Very low | 37.2 | Very low | 218 Ų | 218 | 149.4 Ų | 149.4 | 100% | 1.074 | 82% | 0.823 | S | S | * | * | 0 | 107.3 | 0 | -72.4 | 82.7 | 173.4 | 0 | 0 | 108.3 | Y3 | M1-Y3 HydrophobicContact CB-CE2 4.48Š| |||
| 2 | S | 38.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | trans | -77.7 | 117.1 | 172.8 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | Y | 38.4 | Very low | 36.4 | Very low | 216 Ų | 216 | 148.1 Ų | 148.1 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -93 | 89.8 | 165.7 | -83 | -86.5 | 0 | 0 | 0 | 108.5 | M1 L5 | M1-Y3 HydrophobicContact CB-CE2 4.48Å; Y3-L5 PolarHBondContact O-N 3.3Å | ||
| 4 | C | 36.1 | Very low | 36 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 106.6 | 162.8 | -76 | 0 | 0 | 0 | 0 | 108.3 | K6 | C4-K6 PolarHBondContact O-N 3.25Å; C4-K6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | L | 38.2 | Very low | 35.7 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | -69.9 | 101.3 | 167.8 | -82.5 | 157.1 | 0 | 0 | 0 | 108.8 | Y3 F7 | Y3-L5 PolarHBondContact O-N 3.3Å; L5-F7 PolarHBondContact O-N 3.02Å | ||
| 6 | K | 34.5 | Very low | 35.3 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -70 | 114.5 | 165.5 | -73.6 | 178.8 | 176.6 | 179.4 | 0 | 108.4 | C4 | C4-K6 PolarHBondContact O-N 3.25Å; C4-K6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | F | 37.5 | Very low | 35.1 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | -92.7 | 99.9 | 161 | -91.5 | -88.4 | 0 | 0 | 0 | 108.6 | L5 | L5-F7 PolarHBondContact O-N 3.02Š| ||
| 8 | S | 34.8 | Very low | 35.6 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 128.3 | 167.9 | 44.9 | 0 | 0 | 0 | 0 | 109.8 | D10 | S8-D10 PolarHBondContact O-N 3.09Å; S8-D10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | A | 40.4 | Very low | 35.8 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -82.6 | 74.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 10 | D | 35.4 | Very low | 36.7 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -161.9 | 65.3 | 167.9 | -83 | -55.9 | 0 | 0 | 0 | 110.8 | S8 | S8-D10 PolarHBondContact O-N 3.09Å; S8-D10 VanDerWaalsContact O-N 3.13Å | ||
| 11 | A | 33.7 | Very low | 37.7 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -163.9 | 132.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L13 | A11-L13 PolarHBondContact O-N 3.02Š|
| 12 | P | 33.1 | Very low | 39.1 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | -72.2 | 114 | -174.8 | 28.9 | -31.3 | 0 | 0 | 0 | 110.2 | ||||
| 13 | L | 31.2 | Very low | 41.1 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | trans | -78.1 | 145.3 | 178.9 | -82.4 | 158.2 | 0 | 0 | 0 | 111.2 | A11 | A11-L13 PolarHBondContact O-N 3.02Š| ||
| 14 | P | 31.1 | Very low | 43.5 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -75.7 | 146.4 | -162.5 | 32 | -35.2 | 0 | 0 | 0 | 112.2 | V16 | P14-V16 PolarHBondContact O-N 2.82Š| ||
| 15 | Y | 30.6 | Very low | 46.2 | Very low | 218 Ų | 218 | 127.1 Ų | 127.1 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -52.9 | 95.5 | 167.7 | -88 | -102.5 | 0 | 0 | 0 | 110.8 | T17 | Y15-T17 HydrophobicContact CD1-CG2 4.29Å; Y15-T17 PolarHBondContact O-N 3.26Å | ||
| 16 | V | 30.4 | Very low | 48.6 | Very low | 122 Ų | 122 | 129 Ų | 129 | 74% | 0.739 | 72% | 0.715 | S | S | * | * | trans | -81.8 | 84.9 | 156.8 | -177.1 | 0 | 0 | 0 | 0 | 105.9 | P14 L18 | P14-V16 PolarHBondContact O-N 2.82Å; V16-L18 PolarHBondContact O-N 2.9Å | ||
| 17 | T | 31.9 | Very low | 51.3 | Low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 70% | 0.696 | S | S | * | * | trans | -64 | 88.2 | 163.1 | 43.4 | 0 | 0 | 0 | 0 | 107.7 | Y15 G19 | Y15-T17 HydrophobicContact CD1-CG2 4.29Å; Y15-T17 PolarHBondContact O-N 3.26Å; T17-G19 PolarHBondContact O-N 3.04Å | ||
| 18 | L | 43.8 | Very low | 53.7 | Low | 152 Ų | 152 | 117.4 Ų | 117.4 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | trans | -48.9 | 111.8 | 158.1 | -83.4 | 151.5 | 0 | 0 | 0 | 106.6 | V16 K20 | V16-L18 PolarHBondContact O-N 2.9Å; L18-K20 PolarHBondContact O-N 3.14Å | ||
| 19 | G | 38.6 | Very low | 56.1 | Low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | -56.8 | 100 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T17 V21 | T17-G19 PolarHBondContact O-N 3.04Å; G19-V21 PolarHBondContact O-N 2.87Å | ||
| 20 | K | 53.7 | Low | 58.4 | Low | 182 Ų | 182 | 121 Ų | 121 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | trans | -57.8 | 111.8 | 170.9 | -75.8 | -177.7 | 176.3 | 177.8 | 0 | 105.8 | L18 V22 | L18-K20 PolarHBondContact O-N 3.14Å; K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 WeakPolarHBondContact O-CG2 3.43Å; K20-V22 PolarHBondContact O-N 3.35Å | ||
| 21 | V | 58.2 | Low | 61 | Low | 105 Ų | 105 | 113.3 Ų | 113.3 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | -62.9 | 103.7 | 166.6 | 178.8 | 0 | 0 | 0 | 0 | 105.6 | G19 Y23 | G19-V21 PolarHBondContact O-N 2.87Å; V21-Y23 HydrophobicContact CB-CE2 4Å; V21-Y23 HydrophobicContact CG1-CD1 4.45Å; V21-Y23 HydrophobicContact CG1-CD2 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 4Å; V21-Y23 HydrophobicContact CG1-CE2 3.61Å; V21-Y23 WeakPolarHBondContact O-CD2 3.41Å; V21-Y23 PolarHBondContact O-N 2.91Å | ||
| 22 | V | 70.8 | Confident | 63.5 | Low | 98 Ų | 98 | 113.9 Ų | 113.9 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | trans | -82 | 102.8 | 178.1 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | K20 S24 V41 | K20-V22 VanDerWaalsContact C-N 3.33Å; K20-V22 WeakPolarHBondContact O-CG2 3.43Å; K20-V22 PolarHBondContact O-N 3.35Å; V22-S24 PolarHBondContact O-N 2.85Å; V22-V41 HydrophobicContact CG1-CB 4.33Å; V22-V41 HydrophobicContact CG1-CG1 3.42Å; V22-V41 VanDerWaalsContact CG1-CG1 3.42Å; V22-V41 HydrophobicContact CG1-CG2 3.93Å | ||
| 23 | Y | 81.9 | Confident | 66 | Low | 143 Ų | 143 | 109.7 Ų | 109.7 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | trans | -76.4 | 115.2 | 174.2 | -67.8 | -85 | 0 | 0 | 0 | 108.9 | V21 V41 C42 | V21-Y23 HydrophobicContact CB-CE2 4Å; V21-Y23 HydrophobicContact CG1-CD1 4.45Å; V21-Y23 HydrophobicContact CG1-CD2 4.11Å; V21-Y23 HydrophobicContact CG1-CE1 4Å; V21-Y23 HydrophobicContact CG1-CE2 3.61Å; V21-Y23 WeakPolarHBondContact O-CD2 3.41Å; V21-Y23 PolarHBondContact O-N 2.91Å; Y23-V41 WeakPolarHBondContact O-CA 3.19Å; Y23-C42 PolarHBondContact O-N 3.16Å | ||
| 24 | S | 88.6 | Confident | 68.7 | Low | 102 Ų | 102 | 108.6 Ų | 108.6 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | B | Isolated β-bridge | trans | -71.3 | 140.6 | 167.5 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | V22 G40 | V22-S24 PolarHBondContact O-N 2.85Å; S24-G40 CarbonylContact C-O 3.48Å; S24-G40 VanDerWaalsContact CA-O 3.29Å; S24-G40 WeakPolarHBondContact CA-O 3.29Å |
| 25 | C | 91.5 | Very high | 71.6 | Confident | 8 Ų | 8 | 104.8 Ų | 104.8 | 5% | 0.054 | 57% | 0.567 | C | S | . | * | trans | -136.7 | 154.4 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 110.8 | E30 C31 C37 G40 V41 | C25-E30 VanDerWaalsContact CA-OE2 3.23Å; C25-E30 WeakPolarHBondContact CA-OE2 3.37Å; C25-E30 HydrophobicContact CB-CB 4.02Å; C25-C31 VanDerWaalsContact SG-SG 3.69Å; C25-C37 VanDerWaalsContact C-SG 3.53Å; C25-C37 HydrophobicContact CB-CB 3.77Å; C25-C37 WeakPolarHBondContact CB-SG 3.14Å; C25-C37 WeakPolarHBondContact SG-CA 3.34Å; C25-C37 WeakPolarHBondContact SG-CB 3.19Å; C25-C37 CovalentContact SG-SG 2.02Å; C25-C37 PolarHBondContact SG-SG 2.88Å; C25-G40 PolarHBondContact N-O 2.94Å; C25-G40 CarbonylContact O-C 3.56Å; C25-G40 WeakPolarHBondContact O-CA 3.41Å; C25-V41 PolarHBondContact SG-N 2.03Å | ||
| 26 | K | 89.6 | Confident | 74.4 | Confident | 192 Ų | 192 | 94.5 Ų | 94.5 | 84% | 0.835 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -110 | -32.7 | 167.5 | -63.5 | 179.9 | -178.7 | 176.7 | 0 | 112 | E30 | K26-E30 WeakPolarHBondContact CB-OE1 3.33Å; K26-E30 VanDerWaalsContact N-CD 3.33Å; K26-E30 PolarHBondContact N-OE1 2.83Å; K26-E30 PolarHBondContact N-OE2 3.46Å |
| 27 | T | 90 | Very high | 77.3 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -125.4 | 164.1 | -177.6 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | E29 E30 C37 | T27-E29 VanDerWaalsContact C-N 3.29Å; T27-E29 PolarHBondContact O-N 2.84Å; T27-E30 WeakPolarHBondContact CB-OE1 3.37Å; T27-E30 PolarHBondContact N-OE1 2.82Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 PolarHBondContact OG1-OE1 3.36Å; T27-C37 WeakPolarHBondContact O-CB 3.36Å |
| 28 | Q | 88.2 | Confident | 80.1 | Confident | 59 Ų | 59 | 85.9 Ų | 85.9 | 28% | 0.276 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -68.5 | -27.2 | -178.5 | -62.7 | -56.4 | -24.5 | 0 | 0 | 113.4 | E30 C31 C37 I67 | Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.4Å; Q28-C31 PolarHBondContact O-N 3.43Å; Q28-C37 PolarHBondContact NE2-O 3.11Å; Q28-I67 HydrophobicContact CB-CD1 4.36Å; Q28-I67 HydrophobicContact CG-CD1 3.92Å |
| 29 | E | 86.4 | Confident | 82.3 | Confident | 189 Ų | 189 | 86.6 Ų | 86.6 | 88% | 0.883 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -72 | -20.7 | -177.7 | -61.8 | -178.7 | 169.6 | 0 | 0 | 112.8 | T27 C31 | T27-E29 VanDerWaalsContact C-N 3.29Å; T27-E29 PolarHBondContact O-N 2.84Å; E29-C31 PolarHBondContact O-N 3.4Å |
| 30 | E | 88.3 | Confident | 84.7 | Confident | 89 Ų | 89 | 84.7 Ų | 84.7 | 42% | 0.416 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -71.8 | -14.3 | 177.9 | -69.5 | 164.3 | -122.6 | 0 | 0 | 113.1 | C25 K26 T27 Q28 P32 | C25-E30 VanDerWaalsContact CA-OE2 3.23Å; C25-E30 WeakPolarHBondContact CA-OE2 3.37Å; C25-E30 HydrophobicContact CB-CB 4.02Å; K26-E30 WeakPolarHBondContact CB-OE1 3.33Å; K26-E30 VanDerWaalsContact N-CD 3.33Å; K26-E30 PolarHBondContact N-OE1 2.83Å; K26-E30 PolarHBondContact N-OE2 3.46Å; T27-E30 WeakPolarHBondContact CB-OE1 3.37Å; T27-E30 PolarHBondContact N-OE1 2.82Å; T27-E30 PolarHBondContact O-N 3.11Å; T27-E30 PolarHBondContact OG1-OE1 3.36Å; Q28-E30 VanDerWaalsContact C-N 3.26Å; Q28-E30 PolarHBondContact O-N 3.4Å; E30-P32 WeakPolarHBondContact O-CD 3.48Å |
| 31 | C | 88.7 | Confident | 86.5 | Confident | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.02 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -100.4 | 107.7 | -174.9 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | C25 Q28 E29 S35 M36 C37 C42 K69 | C25-C31 VanDerWaalsContact SG-SG 3.69Å; Q28-C31 PolarHBondContact O-N 3.43Å; E29-C31 PolarHBondContact O-N 3.4Å; C31-S35 WeakPolarHBondContact CB-OG 3.41Å; C31-M36 VanDerWaalsContact SG-C 3.59Å; C31-C37 PolarHBondContact SG-N 3.18Å; C31-C37 VanDerWaalsContact SG-N 3.42Å; C31-C42 WeakPolarHBondContact CA-SG 2.99Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 2.91Å; C31-C42 WeakPolarHBondContact SG-CA 3.22Å; C31-C42 WeakPolarHBondContact SG-CB 3.16Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 3.44Å; C31-K69 PolarHBondContact O-NZ 3.06Å |
| 32 | P | 86 | Confident | 88.1 | Confident | 92 Ų | 92 | 74.3 Ų | 74.3 | 60% | 0.597 | 40% | 0.401 | S | S | * | . | trans | -73.1 | 154.7 | -174.1 | 29.9 | -35.5 | 0 | 0 | 0 | 112.6 | E30 S35 | E30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-S35 PolarHBondContact O-N 3.3Å; P32-S35 PolarHBondContact O-OG 3.33Å | ||
| 33 | G | 86.8 | Confident | 89.1 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 51% | 0.505 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 59.1 | -141.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S35 K69 F70 | G33-S35 PolarHBondContact O-N 2.87Å; G33-K69 PolarHBondContact O-NZ 2.91Å; G33-F70 WeakPolarHBondContact O-CZ 3.17Å |
| 34 | L | 88 | Confident | 89.6 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 63% | 0.634 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -82.9 | 44.8 | 179.4 | -67.9 | 167.4 | 0 | 0 | 0 | 112.4 | A45 F70 M74 | L34-A45 PolarHBondContact O-N 3.02Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE2 3.9Å; L34-M74 HydrophobicContact CD2-CE 4.44Å |
| 35 | S | 90.7 | Very high | 89.7 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 158.9 | 172.7 | 67.4 | 0 | 0 | 0 | 0 | 111.4 | C31 P32 G33 V43 K69 | C31-S35 WeakPolarHBondContact CB-OG 3.41Å; P32-S35 PolarHBondContact O-N 3.3Å; P32-S35 PolarHBondContact O-OG 3.33Å; G33-S35 PolarHBondContact O-N 2.87Å; S35-V43 CarbonylContact C-O 3.57Å; S35-V43 WeakPolarHBondContact CA-O 3.38Å; S35-V43 WeakPolarHBondContact CB-O 3.29Å; S35-K69 PolarHBondContact O-NZ 3.25Å |
| 36 | M | 90.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 155.5 | 176.3 | 71.9 | 169.1 | 68 | 0 | 0 | 111 | C31 Y38 C42 V43 A45 I67 M74 I75 P76 | C31-M36 VanDerWaalsContact SG-C 3.59Å; M36-Y38 PolarHBondContact O-N 3.02Å; M36-C42 CarbonylContact O-C 3.43Å; M36-C42 WeakPolarHBondContact O-CA 3.48Å; M36-V43 HydrophobicContact CG-CG2 4.09Å; M36-V43 PolarHBondContact N-O 3.17Å; M36-V43 PolarHBondContact O-N 3.33Å; M36-A45 HydrophobicContact CB-CB 4.14Å; M36-A45 HydrophobicContact CE-CB 3.33Å; M36-A45 HydrophobicContact CG-CB 3.96Å; M36-A45 HydrophobicContact SD-CB 4.43Å; M36-I67 HydrophobicContact CB-CD1 3.72Å; M36-I67 HydrophobicContact CE-CD1 4.18Å; M36-I67 HydrophobicContact CE-CG1 3.87Å; M36-I67 HydrophobicContact SD-CD1 4.25Å; M36-I67 HydrophobicContact SD-CG1 4.23Å; M36-M74 VanDerWaalsContact CE-C 3.45Å; M36-M74 HydrophobicContact CE-CB 3.55Å; M36-M74 WeakPolarHBondContact CE-O 3.33Å; M36-I75 VanDerWaalsContact CE-C 3.46Å; M36-P76 HydrophobicContact CG-CG 4.34Å; M36-P76 WeakPolarHBondContact SD-CD 3.43Å; M36-P76 HydrophobicContact SD-CG 3.62Å |
| 37 | C | 90.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 108.7 | 176.2 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | C25 T27 Q28 C31 | C25-C37 VanDerWaalsContact C-SG 3.53Å; C25-C37 HydrophobicContact CB-CB 3.77Å; C25-C37 WeakPolarHBondContact CB-SG 3.14Å; C25-C37 WeakPolarHBondContact SG-CA 3.34Å; C25-C37 WeakPolarHBondContact SG-CB 3.19Å; C25-C37 CovalentContact SG-SG 2.02Å; C25-C37 PolarHBondContact SG-SG 2.88Å; T27-C37 WeakPolarHBondContact O-CB 3.36Å; Q28-C37 PolarHBondContact NE2-O 3.11Å; C31-C37 PolarHBondContact SG-N 3.18Å; C31-C37 VanDerWaalsContact SG-N 3.42Å |
| 38 | Y | 91.5 | Very high | 89.6 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 122.1 | 176.6 | -179.1 | -111.1 | 0 | 0 | 0 | 109.7 | M36 G40 V41 V43 Y65 P76 L79 | M36-Y38 PolarHBondContact O-N 3.02Å; Y38-G40 PolarHBondContact O-N 3.31Å; Y38-G40 VanDerWaalsContact O-N 3.15Å; Y38-V41 PolarHBondContact N-O 3.08Å; Y38-V41 PolarHBondContact O-N 3.38Å; Y38-V41 VanDerWaalsContact O-O 3.06Å; Y38-V43 HydrophobicContact CG-CG2 4.36Å; Y38-Y65 HydrophobicContact CD2-CD1 4.29Å; Y38-Y65 HydrophobicContact CD2-CG 4.2Å; Y38-Y65 AromaticContact CE2-CD1 3.78Å; Y38-Y65 HydrophobicContact CE2-CD1 3.78Å; Y38-Y65 AromaticContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CE1 4.15Å; Y38-Y65 HydrophobicContact CE2-CE2 4.14Å; Y38-Y65 AromaticContact CE2-CG 3.57Å; Y38-Y65 HydrophobicContact CE2-CG 3.57Å; Y38-P76 HydrophobicContact CD2-CG 4.03Å; Y38-P76 HydrophobicContact CG-CG 4.03Å; Y38-L79 HydrophobicContact CE2-CD1 3.96Å |
| 39 | K | 88.8 | Confident | 89.3 | Confident | 166 Ų | 166 | 56.8 Ų | 56.8 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 37 | -176.8 | -65.8 | 177.5 | 173.2 | 163 | 0 | 113.5 | V41 | K39-V41 VanDerWaalsContact C-N 3.34Š|
| 40 | G | 89.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 52.6 Ų | 52.6 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 12.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S24 C25 Y38 | S24-G40 CarbonylContact C-O 3.48Å; S24-G40 VanDerWaalsContact CA-O 3.29Å; S24-G40 WeakPolarHBondContact CA-O 3.29Å; C25-G40 PolarHBondContact N-O 2.94Å; C25-G40 CarbonylContact O-C 3.56Å; C25-G40 WeakPolarHBondContact O-CA 3.41Å; Y38-G40 PolarHBondContact O-N 3.31Å; Y38-G40 VanDerWaalsContact O-N 3.15Å |
| 41 | V | 92.2 | Very high | 88.9 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 29% | 0.285 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.4 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.1 | V22 Y23 C25 Y38 K39 V43 | V22-V41 HydrophobicContact CG1-CB 4.33Å; V22-V41 HydrophobicContact CG1-CG1 3.42Å; V22-V41 VanDerWaalsContact CG1-CG1 3.42Å; V22-V41 HydrophobicContact CG1-CG2 3.93Å; Y23-V41 WeakPolarHBondContact O-CA 3.19Å; C25-V41 PolarHBondContact SG-N 2.03Å; Y38-V41 PolarHBondContact N-O 3.08Å; Y38-V41 PolarHBondContact O-N 3.38Å; Y38-V41 VanDerWaalsContact O-O 3.06Å; K39-V41 VanDerWaalsContact C-N 3.34Å; V41-V43 HydrophobicContact CG1-CG1 4.29Å; V41-V43 PolarHBondContact O-N 2.73Å |
| 42 | C | 92.2 | Very high | 88.9 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 115 | 171.4 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | Y23 C31 M36 | Y23-C42 PolarHBondContact O-N 3.16Å; C31-C42 WeakPolarHBondContact CA-SG 2.99Å; C31-C42 HydrophobicContact CB-CB 3.79Å; C31-C42 WeakPolarHBondContact CB-SG 2.91Å; C31-C42 WeakPolarHBondContact SG-CA 3.22Å; C31-C42 WeakPolarHBondContact SG-CB 3.16Å; C31-C42 CovalentContact SG-SG 2.04Å; C31-C42 PolarHBondContact SG-SG 3.44Å; M36-C42 CarbonylContact O-C 3.43Å; M36-C42 WeakPolarHBondContact O-CA 3.48Å |
| 43 | V | 91.9 | Very high | 89.1 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.3 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | S35 M36 Y38 V41 A45 P76 | S35-V43 CarbonylContact C-O 3.57Å; S35-V43 WeakPolarHBondContact CA-O 3.38Å; S35-V43 WeakPolarHBondContact CB-O 3.29Å; M36-V43 HydrophobicContact CG-CG2 4.09Å; M36-V43 PolarHBondContact N-O 3.17Å; M36-V43 PolarHBondContact O-N 3.33Å; Y38-V43 HydrophobicContact CG-CG2 4.36Å; V41-V43 HydrophobicContact CG1-CG1 4.29Å; V41-V43 PolarHBondContact O-N 2.73Å; V43-A45 PolarHBondContact O-N 2.77Å; V43-P76 HydrophobicContact CG2-CB 3.92Å; V43-P76 HydrophobicContact CG2-CG 4.22Å |
| 44 | P | 91.6 | Very high | 89.3 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 135.6 | 173.2 | -24.2 | 34.5 | 0 | 0 | 0 | 112.1 | Y77 | P44-Y77 PolarHBondContact O-N 3.33Å |
| 45 | A | 91.7 | Very high | 89.4 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L34 M36 V43 M74 I75 | L34-A45 PolarHBondContact O-N 3.02Å; M36-A45 HydrophobicContact CB-CB 4.14Å; M36-A45 HydrophobicContact CE-CB 3.33Å; M36-A45 HydrophobicContact CG-CB 3.96Å; M36-A45 HydrophobicContact SD-CB 4.43Å; V43-A45 PolarHBondContact O-N 2.77Å; A45-M74 HydrophobicContact CB-CB 4.38Å; A45-I75 WeakPolarHBondContact CA-O 3.43Å |
| 46 | V | 91.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 26% | 0.261 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 161 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | M74 I75 Y77 I80 | V46-M74 CarbonylContact O-C 3.51Å; V46-M74 VanDerWaalsContact O-CA 3.3Å; V46-M74 WeakPolarHBondContact O-CA 3.3Å; V46-I75 HydrophobicContact CG2-CG2 4.44Å; V46-I75 PolarHBondContact N-O 3.33Å; V46-I75 PolarHBondContact O-N 3.43Å; V46-Y77 HydrophobicContact CG1-CD2 3.9Å; V46-Y77 HydrophobicContact CG2-CD2 4.29Å; V46-I80 HydrophobicContact CG2-CD1 3.21Å; V46-I80 HydrophobicContact CG2-CG1 3.87Å |
| 47 | P | 91.4 | Very high | 89.3 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 28% | 0.279 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 142.3 | 173.3 | -23.7 | 34.1 | 0 | 0 | 0 | 111.5 | Y51 M74 | P47-Y51 HydrophobicContact CB-CD2 3.66Å; P47-Y51 HydrophobicContact CB-CE2 3.49Å; P47-Y51 VanDerWaalsContact CB-CE2 3.49Å; P47-Y51 HydrophobicContact CG-CD2 4.38Å; P47-Y51 HydrophobicContact CG-CE2 3.7Å; P47-M74 VanDerWaalsContact CA-SD 3.52Å; P47-M74 HydrophobicContact CB-SD 4.12Å; P47-M74 HydrophobicContact CG-CE 4.09Å; P47-M74 HydrophobicContact CG-SD 3.75Å |
| 48 | T | 85.9 | Confident | 89.2 | Confident | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.043 | 39% | 0.385 | C | S | . | . | trans | -55.8 | 149 | 171.4 | 50.9 | 0 | 0 | 0 | 0 | 111 | N50 Y51 E66 C73 I75 | T48-N50 PolarHBondContact O-N 3.41Å; T48-N50 VanDerWaalsContact O-N 3.11Å; T48-Y51 WeakPolarHBondContact O-CA 3.42Å; T48-Y51 PolarHBondContact O-N 2.96Å; T48-E66 HydrophobicContact CG2-CG 3.79Å; T48-E66 WeakPolarHBondContact CG2-OE1 3.49Å; T48-C73 HydrophobicContact CG2-CB 4.08Å; T48-C73 VanDerWaalsContact CG2-O 3.31Å; T48-C73 WeakPolarHBondContact CG2-O 3.45Å; T48-C73 PolarHBondContact N-O 3.12Å; T48-C73 PolarHBondContact OG1-O 3.1Å; T48-I75 HydrophobicContact CG2-CB 4.29Å; T48-I75 HydrophobicContact CG2-CG2 4.37Å | ||
| 49 | P | 81.4 | Confident | 89.1 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 60% | 0.604 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.3 | -179.4 | -28.1 | 35.3 | 0 | 0 | 0 | 114.6 | Y51 I80 | P49-Y51 PolarHBondContact O-N 3.27Å; P49-I80 HydrophobicContact CG-CG2 4.04Å |
| 50 | N | 81.5 | Confident | 89.2 | Confident | 102 Ų | 102 | 63.5 Ų | 63.5 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.4 | 176.9 | -67.1 | -24.7 | 0 | 0 | 0 | 113.3 | T48 K52 T88 | T48-N50 PolarHBondContact O-N 3.41Å; T48-N50 VanDerWaalsContact O-N 3.11Å; N50-K52 PolarHBondContact O-N 2.04Å; N50-K52 VanDerWaalsContact O-N 3.17Å; N50-T88 PolarHBondContact ND2-OG1 2.04Å |
| 51 | Y | 84.4 | Confident | 89.2 | Confident | 149 Ų | 149 | 65.2 Ų | 65.2 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | trans | 49 | 41.8 | 179.8 | -141 | -95 | 0 | 0 | 0 | 113.2 | P47 T48 P49 M53 | P47-Y51 HydrophobicContact CB-CD2 3.66Å; P47-Y51 HydrophobicContact CB-CE2 3.49Å; P47-Y51 VanDerWaalsContact CB-CE2 3.49Å; P47-Y51 HydrophobicContact CG-CD2 4.38Å; P47-Y51 HydrophobicContact CG-CE2 3.7Å; T48-Y51 WeakPolarHBondContact O-CA 3.42Å; T48-Y51 PolarHBondContact O-N 2.96Å; P49-Y51 PolarHBondContact O-N 3.27Å; Y51-M53 PolarHBondContact O-N 2.72Å | ||
| 52 | K | 88.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 40% | 0.404 | 37% | 0.372 | S | S | . | . | trans | -65.2 | 121.7 | -176.6 | -170.7 | -179.3 | -173.1 | -175.5 | 0 | 109.5 | N50 E59 A72 C73 | N50-K52 PolarHBondContact O-N 2.04Å; N50-K52 VanDerWaalsContact O-N 3.17Å; K52-E59 WeakPolarHBondContact CE-O 3.5Å; K52-E59 PolarHBondContact NZ-O 2.96Å; K52-A72 WeakPolarHBondContact O-CA 2.87Å; K52-C73 HydrophobicContact CB-CB 4.28Å; K52-C73 PolarHBondContact O-N 3.28Å | ||
| 53 | M | 90.4 | Very high | 88.4 | Confident | 144 Ų | 144 | 72.5 Ų | 72.5 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -76.3 | 148.8 | 172.2 | -67.5 | -164.7 | 158.9 | 0 | 0 | 110.4 | Y51 G71 | Y51-M53 PolarHBondContact O-N 2.72Å; M53-G71 WeakPolarHBondContact CA-O 3.45Å |
| 54 | C | 90.6 | Very high | 88 | Confident | 7 Ų | 7 | 72.5 Ų | 72.5 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | trans | -147.4 | 155.4 | -177.9 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | E59 C68 G71 A72 C73 | C54-E59 VanDerWaalsContact CA-OE2 3.28Å; C54-E59 WeakPolarHBondContact CA-OE2 3.45Å; C54-E59 HydrophobicContact CB-CB 3.88Å; C54-C68 HydrophobicContact CB-CB 3.79Å; C54-C68 WeakPolarHBondContact CB-SG 3.37Å; C54-C68 PolarHBondContact O-SG 2.85Å; C54-C68 WeakPolarHBondContact SG-CA 3.02Å; C54-C68 WeakPolarHBondContact SG-CB 3.37Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 2.76Å; C54-G71 PolarHBondContact N-O 2.82Å; C54-G71 CarbonylContact O-C 3.21Å; C54-G71 WeakPolarHBondContact O-CA 3.47Å; C54-A72 PolarHBondContact SG-O 3.03Å; C54-C73 PolarHBondContact SG-N 3.17Å | ||
| 55 | T | 90.6 | Very high | 87.9 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 74% | 0.742 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -108.9 | -16.3 | 166.4 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | E59 | T55-E59 WeakPolarHBondContact CB-OE1 3.44Å; T55-E59 VanDerWaalsContact N-CD 3.34Å; T55-E59 PolarHBondContact N-OE1 3.22Å; T55-E59 PolarHBondContact N-OE2 3.43Å; T55-E59 PolarHBondContact OG1-OE1 3.31Å |
| 56 | N | 90 | Very high | 87.9 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -154 | 163.6 | 178.2 | 61.7 | 75.1 | 0 | 0 | 0 | 110.8 | S58 E59 C68 | N56-S58 PolarHBondContact O-N 2.02Å; N56-S58 VanDerWaalsContact O-N 3.17Å; N56-S58 WeakPolarHBondContact OD1-CB 3Å; N56-S58 PolarHBondContact OD1-N 3.22Å; N56-S58 VanDerWaalsContact OD1-N 3.08Å; N56-S58 PolarHBondContact OD1-OG 2.67Å; N56-E59 PolarHBondContact ND2-OE1 3.45Å; N56-E59 WeakPolarHBondContact O-CB 3.04Å; N56-E59 PolarHBondContact O-N 3.34Å; N56-E59 VanDerWaalsContact O-N 3.13Å; N56-E59 PolarHBondContact OD1-N 2.98Å; N56-C68 WeakPolarHBondContact O-CB 2.93Å |
| 57 | D | 89.5 | Confident | 87.9 | Confident | 74 Ų | 74 | 73 Ų | 73 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -60.1 | -28.1 | -175.3 | -66.8 | -9.9 | 0 | 0 | 0 | 113.8 | E59 C60 C68 | D57-E59 PolarHBondContact O-N 2.81Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.4Å; D57-C68 WeakPolarHBondContact OD1-CA 2.99Å; D57-C68 WeakPolarHBondContact OD1-CB 3.03Å; D57-C68 PolarHBondContact OD1-N 2.86Å |
| 58 | S | 88.9 | Confident | 88 | Confident | 100 Ų | 100 | 72 Ų | 72 | 70% | 0.699 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -71.6 | -15.8 | -178.8 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | N56 C60 | N56-S58 PolarHBondContact O-N 2.02Å; N56-S58 VanDerWaalsContact O-N 3.17Å; N56-S58 WeakPolarHBondContact OD1-CB 3Å; N56-S58 PolarHBondContact OD1-N 3.22Å; N56-S58 VanDerWaalsContact OD1-N 3.08Å; N56-S58 PolarHBondContact OD1-OG 2.67Å; S58-C60 VanDerWaalsContact C-N 3.26Å |
| 59 | E | 89.5 | Confident | 88.2 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -77.6 | -12.5 | 169.7 | -67.4 | 174.5 | -126.6 | 0 | 0 | 112.5 | K52 C54 T55 N56 D57 | K52-E59 WeakPolarHBondContact CE-O 3.5Å; K52-E59 PolarHBondContact NZ-O 2.96Å; C54-E59 VanDerWaalsContact CA-OE2 3.28Å; C54-E59 WeakPolarHBondContact CA-OE2 3.45Å; C54-E59 HydrophobicContact CB-CB 3.88Å; T55-E59 WeakPolarHBondContact CB-OE1 3.44Å; T55-E59 VanDerWaalsContact N-CD 3.34Å; T55-E59 PolarHBondContact N-OE1 3.22Å; T55-E59 PolarHBondContact N-OE2 3.43Å; T55-E59 PolarHBondContact OG1-OE1 3.31Å; N56-E59 PolarHBondContact ND2-OE1 3.45Å; N56-E59 WeakPolarHBondContact O-CB 3.04Å; N56-E59 PolarHBondContact O-N 3.34Å; N56-E59 VanDerWaalsContact O-N 3.13Å; N56-E59 PolarHBondContact OD1-N 2.98Å; D57-E59 PolarHBondContact O-N 2.81Å |
| 60 | C | 91.2 | Very high | 88.6 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -99.6 | 164.3 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | D57 S58 V62 E66 C73 | D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.4Å; S58-C60 VanDerWaalsContact C-N 3.26Å; C60-V62 VanDerWaalsContact C-N 3.32Å; C60-V62 PolarHBondContact O-N 3.47Å; C60-E66 HydrophobicContact CB-CB 3.78Å; C60-C73 WeakPolarHBondContact CA-SG 3.47Å; C60-C73 HydrophobicContact CB-CB 3.77Å; C60-C73 WeakPolarHBondContact CB-SG 3.01Å; C60-C73 WeakPolarHBondContact SG-CA 3.36Å; C60-C73 WeakPolarHBondContact SG-CB 3.35Å; C60-C73 CovalentContact SG-SG 2.04Å; C60-C73 PolarHBondContact SG-SG 2.86Å |
| 61 | E | 88.2 | Confident | 89 | Confident | 69 Ų | 69 | 72.5 Ų | 72.5 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | trans | -76.5 | 87.4 | 176.2 | -65.1 | -68.1 | 167.4 | 0 | 0 | 110.1 | N63 R64 E66 T88 | E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.11Å; E61-R64 HydrophobicContact CB-CB 3.93Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CA 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 2.72Å; E61-E66 HydrophobicContact CB-CG 4.4Å; E61-E66 WeakPolarHBondContact CB-OE2 3.48Å; E61-E66 PolarHBondContact N-OE2 2.86Å; E61-E66 WeakPolarHBondContact O-CB 3.48Å; E61-E66 PolarHBondContact O-N 3.45Å; E61-T88 HydrophobicContact CG-CG2 4.16Å | ||
| 62 | V | 84.2 | Confident | 89.4 | Confident | 90 Ų | 90 | 65.8 Ų | 65.8 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -56.4 | -31.5 | 178 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | C60 R64 Y65 | C60-V62 VanDerWaalsContact C-N 3.32Å; C60-V62 PolarHBondContact O-N 3.47Å; V62-R64 PolarHBondContact O-N 2.67Å; V62-Y65 PolarHBondContact O-N 2.75Å |
| 63 | N | 83.3 | Confident | 89.6 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64.9 | -21.7 | 175 | -64.7 | -40.6 | 0 | 0 | 0 | 113.5 | E61 | E61-N63 PolarHBondContact O-N 3.43Å; E61-N63 VanDerWaalsContact O-N 3.11Å |
| 64 | R | 83.7 | Confident | 89.7 | Confident | 25 Ų | 25 | 55 Ų | 55 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -93.8 | 7 | 174.6 | -64.9 | -158.1 | 61.6 | -176.6 | 0.7 | 113.2 | E61 V62 E66 L85 | E61-R64 HydrophobicContact CB-CB 3.93Å; E61-R64 HydrophobicContact CB-CG 3.83Å; E61-R64 WeakPolarHBondContact O-CA 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.32Å; E61-R64 PolarHBondContact O-N 2.72Å; V62-R64 PolarHBondContact O-N 2.67Å; R64-E66 HydrophobicContact CB-CG 3.86Å; R64-E66 WeakPolarHBondContact CD-OE1 3.32Å; R64-E66 IonicContact NE-OE1 2.9Å; R64-E66 PolarHBondContact O-N 2.99Å; R64-L85 HydrophobicContact CB-CD1 4.42Å; R64-L85 HydrophobicContact CB-CD2 3.74Å; R64-L85 HydrophobicContact CB-CG 4.05Å; R64-L85 HydrophobicContact CG-CD1 4.25Å; R64-L85 HydrophobicContact CG-CD2 3.89Å; R64-L85 HydrophobicContact CG-CG 3.69Å; R64-L85 VanDerWaalsContact NE-CG 3.34Å |
| 65 | Y | 89.4 | Confident | 89.8 | Confident | 122 Ų | 122 | 54.7 Ų | 54.7 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 28.9 | -168.8 | -52.5 | -80.5 | 0 | 0 | 0 | 112.7 | Y38 V62 L79 | Y38-Y65 HydrophobicContact CD2-CD1 4.29Å; Y38-Y65 HydrophobicContact CD2-CG 4.2Å; Y38-Y65 AromaticContact CE2-CD1 3.78Å; Y38-Y65 HydrophobicContact CE2-CD1 3.78Å; Y38-Y65 AromaticContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CD2 3.78Å; Y38-Y65 HydrophobicContact CE2-CE1 4.15Å; Y38-Y65 HydrophobicContact CE2-CE2 4.14Å; Y38-Y65 AromaticContact CE2-CG 3.57Å; Y38-Y65 HydrophobicContact CE2-CG 3.57Å; V62-Y65 PolarHBondContact O-N 2.75Å; Y65-L79 HydrophobicContact CD2-CD1 3.86Å; Y65-L79 HydrophobicContact CG-CD1 4.44Å |
| 66 | E | 92.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | trans | -79 | 144.9 | 172.3 | -63 | 171.3 | -165.7 | 0 | 0 | 110.3 | T48 C60 E61 R64 M74 I75 | T48-E66 HydrophobicContact CG2-CG 3.79Å; T48-E66 WeakPolarHBondContact CG2-OE1 3.49Å; C60-E66 HydrophobicContact CB-CB 3.78Å; E61-E66 HydrophobicContact CB-CG 4.4Å; E61-E66 WeakPolarHBondContact CB-OE2 3.48Å; E61-E66 PolarHBondContact N-OE2 2.86Å; E61-E66 WeakPolarHBondContact O-CB 3.48Å; E61-E66 PolarHBondContact O-N 3.45Å; R64-E66 HydrophobicContact CB-CG 3.86Å; R64-E66 WeakPolarHBondContact CD-OE1 3.32Å; R64-E66 IonicContact NE-OE1 2.9Å; R64-E66 PolarHBondContact O-N 2.99Å; E66-M74 WeakPolarHBondContact CA-O 3.29Å; E66-I75 HydrophobicContact CG-CB 4.18Å; E66-I75 HydrophobicContact CG-CD1 4.38Å; E66-I75 HydrophobicContact CG-CG1 4.35Å | ||
| 67 | I | 91.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.3 | 174.9 | 63.4 | 168.9 | 0 | 0 | 0 | 109.9 | Q28 M36 K69 C73 M74 | Q28-I67 HydrophobicContact CB-CD1 4.36Å; Q28-I67 HydrophobicContact CG-CD1 3.92Å; M36-I67 HydrophobicContact CB-CD1 3.72Å; M36-I67 HydrophobicContact CE-CD1 4.18Å; M36-I67 HydrophobicContact CE-CG1 3.87Å; M36-I67 HydrophobicContact SD-CD1 4.25Å; M36-I67 HydrophobicContact SD-CG1 4.23Å; I67-K69 HydrophobicContact CD1-CB 4.45Å; I67-K69 PolarHBondContact O-N 2.04Å; I67-C73 WeakPolarHBondContact O-CA 3.44Å; I67-M74 HydrophobicContact CG1-CB 4.46Å; I67-M74 PolarHBondContact N-O 3.26Å; I67-M74 PolarHBondContact O-N 2.79Å |
| 68 | C | 92.6 | Very high | 89.4 | Confident | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 107.6 | 172.6 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | C54 N56 D57 | C54-C68 HydrophobicContact CB-CB 3.79Å; C54-C68 WeakPolarHBondContact CB-SG 3.37Å; C54-C68 PolarHBondContact O-SG 2.85Å; C54-C68 WeakPolarHBondContact SG-CA 3.02Å; C54-C68 WeakPolarHBondContact SG-CB 3.37Å; C54-C68 CovalentContact SG-SG 2.03Å; C54-C68 PolarHBondContact SG-SG 2.76Å; N56-C68 WeakPolarHBondContact O-CB 2.93Å; D57-C68 WeakPolarHBondContact OD1-CA 2.99Å; D57-C68 WeakPolarHBondContact OD1-CB 3.03Å; D57-C68 PolarHBondContact OD1-N 2.86Å |
| 69 | K | 90.8 | Very high | 89.3 | Confident | 37 Ų | 37 | 53 Ų | 53 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 134.9 | 174.7 | -154.9 | -178.6 | -172.3 | -173.8 | 0 | 109.3 | C31 G33 S35 I67 G71 A72 M74 | C31-K69 PolarHBondContact O-NZ 3.06Å; G33-K69 PolarHBondContact O-NZ 2.91Å; S35-K69 PolarHBondContact O-NZ 3.25Å; I67-K69 HydrophobicContact CD1-CB 4.45Å; I67-K69 PolarHBondContact O-N 2.04Å; K69-G71 PolarHBondContact O-N 3.03Å; K69-A72 PolarHBondContact N-O 2.84Å; K69-A72 PolarHBondContact O-N 2.79Å; K69-M74 HydrophobicContact CB-CG 3.86Å |
| 70 | F | 88.9 | Confident | 88.8 | Confident | 137 Ų | 137 | 51.6 Ų | 51.6 | 60% | 0.601 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 28.4 | -177.1 | -47.6 | -70.3 | 0 | 0 | 0 | 114.4 | G33 L34 A72 M74 | G33-F70 WeakPolarHBondContact O-CZ 3.17Å; L34-F70 HydrophobicContact CD2-CD2 4.15Å; L34-F70 HydrophobicContact CD2-CE2 3.9Å; F70-A72 VanDerWaalsContact C-N 3.3Å; F70-A72 PolarHBondContact O-N 3.12Å; F70-M74 HydrophobicContact CB-CE 4.31Å; F70-M74 HydrophobicContact CD2-CE 3.84Å |
| 71 | G | 90.8 | Very high | 88.2 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 39% | 0.392 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M53 C54 K69 | M53-G71 WeakPolarHBondContact CA-O 3.45Å; C54-G71 PolarHBondContact N-O 2.82Å; C54-G71 CarbonylContact O-C 3.21Å; C54-G71 WeakPolarHBondContact O-CA 3.47Å; K69-G71 PolarHBondContact O-N 3.03Å |
| 72 | A | 91.9 | Very high | 87.6 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | K52 C54 K69 F70 M74 | K52-A72 WeakPolarHBondContact O-CA 2.87Å; C54-A72 PolarHBondContact SG-O 3.03Å; K69-A72 PolarHBondContact N-O 2.84Å; K69-A72 PolarHBondContact O-N 2.79Å; F70-A72 VanDerWaalsContact C-N 3.3Å; F70-A72 PolarHBondContact O-N 3.12Å; A72-M74 HydrophobicContact CB-CE 4.48Å; A72-M74 PolarHBondContact O-N 3.17Å |
| 73 | C | 93.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 112.8 | 171.9 | -65.2 | 0 | 0 | 0 | 0 | 109 | T48 K52 C54 C60 I67 | T48-C73 HydrophobicContact CG2-CB 4.08Å; T48-C73 VanDerWaalsContact CG2-O 3.31Å; T48-C73 WeakPolarHBondContact CG2-O 3.45Å; T48-C73 PolarHBondContact N-O 3.12Å; T48-C73 PolarHBondContact OG1-O 3.1Å; K52-C73 HydrophobicContact CB-CB 4.28Å; K52-C73 PolarHBondContact O-N 3.28Å; C54-C73 PolarHBondContact SG-N 3.17Å; C60-C73 WeakPolarHBondContact CA-SG 3.47Å; C60-C73 HydrophobicContact CB-CB 3.77Å; C60-C73 WeakPolarHBondContact CB-SG 3.01Å; C60-C73 WeakPolarHBondContact SG-CA 3.36Å; C60-C73 WeakPolarHBondContact SG-CB 3.35Å; C60-C73 CovalentContact SG-SG 2.04Å; C60-C73 PolarHBondContact SG-SG 2.86Å; I67-C73 WeakPolarHBondContact O-CA 3.44Å |
| 74 | M | 93.1 | Very high | 86.3 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.054 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 147.8 | 178.8 | -61.4 | -60.3 | -167.1 | 0 | 0 | 109.8 | L34 M36 A45 V46 P47 E66 I67 K69 F70 A72 | L34-M74 HydrophobicContact CD2-CE 4.44Å; M36-M74 VanDerWaalsContact CE-C 3.45Å; M36-M74 HydrophobicContact CE-CB 3.55Å; M36-M74 WeakPolarHBondContact CE-O 3.33Å; A45-M74 HydrophobicContact CB-CB 4.38Å; V46-M74 CarbonylContact O-C 3.51Å; V46-M74 VanDerWaalsContact O-CA 3.3Å; V46-M74 WeakPolarHBondContact O-CA 3.3Å; P47-M74 VanDerWaalsContact CA-SD 3.52Å; P47-M74 HydrophobicContact CB-SD 4.12Å; P47-M74 HydrophobicContact CG-CE 4.09Å; P47-M74 HydrophobicContact CG-SD 3.75Å; E66-M74 WeakPolarHBondContact CA-O 3.29Å; I67-M74 HydrophobicContact CG1-CB 4.46Å; I67-M74 PolarHBondContact N-O 3.26Å; I67-M74 PolarHBondContact O-N 2.79Å; K69-M74 HydrophobicContact CB-CG 3.86Å; F70-M74 HydrophobicContact CB-CE 4.31Å; F70-M74 HydrophobicContact CD2-CE 3.84Å; A72-M74 HydrophobicContact CB-CE 4.48Å; A72-M74 PolarHBondContact O-N 3.17Å |
| 75 | I | 92.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 149.9 | 174.9 | -168 | 170.4 | 0 | 0 | 0 | 109.8 | M36 A45 V46 T48 E66 Y77 L79 I80 L85 | M36-I75 VanDerWaalsContact CE-C 3.46Å; A45-I75 WeakPolarHBondContact CA-O 3.43Å; V46-I75 HydrophobicContact CG2-CG2 4.44Å; V46-I75 PolarHBondContact N-O 3.33Å; V46-I75 PolarHBondContact O-N 3.43Å; T48-I75 HydrophobicContact CG2-CB 4.29Å; T48-I75 HydrophobicContact CG2-CG2 4.37Å; E66-I75 HydrophobicContact CG-CB 4.18Å; E66-I75 HydrophobicContact CG-CD1 4.38Å; E66-I75 HydrophobicContact CG-CG1 4.35Å; I75-Y77 PolarHBondContact O-N 3.45Å; I75-L79 HydrophobicContact CD1-CB 3.96Å; I75-L79 HydrophobicContact CG1-CB 4Å; I75-I80 HydrophobicContact CG2-CG1 3.8Å; I75-L85 HydrophobicContact CD1-CD2 4.09Å |
| 76 | P | 91.5 | Very high | 84 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 134.2 | 168.9 | -26.7 | 36.2 | 0 | 0 | 0 | 110.6 | M36 Y38 V43 E78 L79 | M36-P76 HydrophobicContact CG-CG 4.34Å; M36-P76 WeakPolarHBondContact SD-CD 3.43Å; M36-P76 HydrophobicContact SD-CG 3.62Å; Y38-P76 HydrophobicContact CD2-CG 4.03Å; Y38-P76 HydrophobicContact CG-CG 4.03Å; V43-P76 HydrophobicContact CG2-CB 3.92Å; V43-P76 HydrophobicContact CG2-CG 4.22Å; P76-E78 PolarHBondContact O-N 3.04Å; P76-E78 VanDerWaalsContact O-N 3.12Å; P76-L79 HydrophobicContact CB-CB 4.41Å; P76-L79 HydrophobicContact CB-CD1 4.12Å; P76-L79 HydrophobicContact CB-CG 4.09Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.38Å; P76-L79 PolarHBondContact O-N 2.92Å |
| 77 | Y | 86.6 | Confident | 82.4 | Confident | 148 Ų | 148 | 64.6 Ų | 64.6 | 58% | 0.58 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -54.4 | -37.3 | -177.7 | -179.2 | -97.3 | 0 | 0 | 0 | 112.4 | P44 V46 I75 L79 I80 | P44-Y77 PolarHBondContact O-N 3.33Å; V46-Y77 HydrophobicContact CG1-CD2 3.9Å; V46-Y77 HydrophobicContact CG2-CD2 4.29Å; I75-Y77 PolarHBondContact O-N 3.45Å; Y77-L79 PolarHBondContact O-N 2.98Å; Y77-I80 HydrophobicContact CD2-CD1 3.69Å; Y77-I80 HydrophobicContact CE2-CD1 4.12Å; Y77-I80 HydrophobicContact CG-CD1 4.33Å; Y77-I80 WeakPolarHBondContact O-CG1 2.89Å; Y77-I80 PolarHBondContact O-N 3.4Å |
| 78 | E | 83.2 | Confident | 80.7 | Confident | 156 Ų | 156 | 66.4 Ų | 66.4 | 73% | 0.729 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.6 | -10.5 | 179.5 | -59.1 | -176.4 | 172.4 | 0 | 0 | 114.2 | P76 | P76-E78 PolarHBondContact O-N 3.04Å; P76-E78 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 85.9 | Confident | 78.5 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -107.2 | -2.2 | -179 | -63.4 | -177.1 | 0 | 0 | 0 | 114.2 | Y38 Y65 I75 P76 Y77 D81 D82 L85 | Y38-L79 HydrophobicContact CE2-CD1 3.96Å; Y65-L79 HydrophobicContact CD2-CD1 3.86Å; Y65-L79 HydrophobicContact CG-CD1 4.44Å; I75-L79 HydrophobicContact CD1-CB 3.96Å; I75-L79 HydrophobicContact CG1-CB 4Å; P76-L79 HydrophobicContact CB-CB 4.41Å; P76-L79 HydrophobicContact CB-CD1 4.12Å; P76-L79 HydrophobicContact CB-CG 4.09Å; P76-L79 HydrophobicContact CG-CD1 3.85Å; P76-L79 HydrophobicContact CG-CG 4.38Å; P76-L79 PolarHBondContact O-N 2.92Å; Y77-L79 PolarHBondContact O-N 2.98Å; L79-D81 VanDerWaalsContact C-N 3.31Å; L79-D81 PolarHBondContact O-N 2.68Å; L79-D82 HydrophobicContact CD2-CB 4.37Å; L79-D82 PolarHBondContact O-N 2.67Å; L79-L85 HydrophobicContact CB-CD2 4.49Å |
| 80 | I | 80.1 | Confident | 76.3 | Confident | 38 Ų | 38 | 73.6 Ų | 73.6 | 20% | 0.195 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -46.3 | -178.9 | -60.7 | 167.4 | 0 | 0 | 0 | 110.6 | V46 P49 I75 Y77 | V46-I80 HydrophobicContact CG2-CD1 3.21Å; V46-I80 HydrophobicContact CG2-CG1 3.87Å; P49-I80 HydrophobicContact CG-CG2 4.04Å; I75-I80 HydrophobicContact CG2-CG1 3.8Å; Y77-I80 HydrophobicContact CD2-CD1 3.69Å; Y77-I80 HydrophobicContact CE2-CD1 4.12Å; Y77-I80 HydrophobicContact CG-CD1 4.33Å; Y77-I80 WeakPolarHBondContact O-CG1 2.89Å; Y77-I80 PolarHBondContact O-N 3.4Å |
| 81 | D | 77.6 | Confident | 74 | Confident | 137 Ų | 137 | 72 Ų | 72 | 73% | 0.733 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.7 | -174 | -58.1 | -62 | 0 | 0 | 0 | 113 | L79 P83 | L79-D81 VanDerWaalsContact C-N 3.31Å; L79-D81 PolarHBondContact O-N 2.68Å; D81-P83 WeakPolarHBondContact O-CD 3.47Å |
| 82 | D | 75.6 | Confident | 71.6 | Confident | 27 Ų | 27 | 76.3 Ų | 76.3 | 14% | 0.144 | 42% | 0.418 | C | S | . | . | trans | -69.4 | 111.6 | -179.2 | -168.5 | -21 | 0 | 0 | 0 | 110.5 | L79 R84 L85 | L79-D82 HydrophobicContact CD2-CB 4.37Å; L79-D82 PolarHBondContact O-N 2.67Å; D82-R84 PolarHBondContact O-N 3.12Å; D82-R84 VanDerWaalsContact O-N 3.13Å; D82-R84 VanDerWaalsContact OD1-CB 3.27Å; D82-R84 WeakPolarHBondContact OD1-CB 3.12Å; D82-R84 WeakPolarHBondContact OD1-CG 3.04Å; D82-R84 IonicContact OD1-CZ 3.59Å; D82-R84 PolarHBondContact OD1-N 3.19Å; D82-R84 IonicContact OD1-NE 2.71Å; D82-R84 PolarHBondContact OD1-NE 2.93Å; D82-R84 IonicContact OD1-NH2 3.36Å; D82-R84 IonicContact OD2-CZ 2.91Å; D82-R84 IonicContact OD2-NE 3.72Å; D82-R84 PolarHBondContact OD2-NE 3.36Å; D82-R84 IonicContact OD2-NH2 2.73Å; D82-R84 PolarHBondContact OD2-NH2 3.28Å; D82-L85 WeakPolarHBondContact O-CB 3.29Å; D82-L85 PolarHBondContact O-N 2.66Å; D82-L85 VanDerWaalsContact O-N 3.16Å | ||
| 83 | P | 66.9 | Low | 69 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 81% | 0.812 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.8 | -176.5 | -15.4 | 30.6 | 0 | 0 | 0 | 113.4 | D81 L85 | D81-P83 WeakPolarHBondContact O-CD 3.47Å; P83-L85 PolarHBondContact O-N 3.42Å |
| 84 | R | 73 | Confident | 66.5 | Low | 209 Ų | 209 | 87.4 Ų | 87.4 | 79% | 0.789 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.5 | 178.5 | -59.9 | 172.6 | -67.8 | -173.1 | 0.6 | 112.1 | D82 | D82-R84 PolarHBondContact O-N 3.12Å; D82-R84 VanDerWaalsContact O-N 3.13Å; D82-R84 VanDerWaalsContact OD1-CB 3.27Å; D82-R84 WeakPolarHBondContact OD1-CB 3.12Å; D82-R84 WeakPolarHBondContact OD1-CG 3.04Å; D82-R84 IonicContact OD1-CZ 3.59Å; D82-R84 PolarHBondContact OD1-N 3.19Å; D82-R84 IonicContact OD1-NE 2.71Å; D82-R84 PolarHBondContact OD1-NE 2.93Å; D82-R84 IonicContact OD1-NH2 3.36Å; D82-R84 IonicContact OD2-CZ 2.91Å; D82-R84 IonicContact OD2-NE 3.72Å; D82-R84 PolarHBondContact OD2-NE 3.36Å; D82-R84 IonicContact OD2-NH2 2.73Å; D82-R84 PolarHBondContact OD2-NH2 3.28Å |
| 85 | L | 67.1 | Low | 63.9 | Low | 22 Ų | 22 | 92.7 Ų | 92.7 | 12% | 0.115 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -92.2 | 132 | -176.8 | -146.8 | 57.1 | 0 | 0 | 0 | 109.5 | R64 I75 L79 D82 P83 T87 | R64-L85 HydrophobicContact CB-CD1 4.42Å; R64-L85 HydrophobicContact CB-CD2 3.74Å; R64-L85 HydrophobicContact CB-CG 4.05Å; R64-L85 HydrophobicContact CG-CD1 4.25Å; R64-L85 HydrophobicContact CG-CD2 3.89Å; R64-L85 HydrophobicContact CG-CG 3.69Å; R64-L85 VanDerWaalsContact NE-CG 3.34Å; I75-L85 HydrophobicContact CD1-CD2 4.09Å; L79-L85 HydrophobicContact CB-CD2 4.49Å; D82-L85 WeakPolarHBondContact O-CB 3.29Å; D82-L85 PolarHBondContact O-N 2.66Å; D82-L85 VanDerWaalsContact O-N 3.16Å; P83-L85 PolarHBondContact O-N 3.42Å; L85-T87 PolarHBondContact O-N 3.48Å |
| 86 | P | 58.7 | Low | 61.5 | Low | 85 Ų | 85 | 98.7 Ų | 98.7 | 55% | 0.552 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126.6 | -175.6 | 21.7 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 87 | T | 59 | Low | 59 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.1 | 176.8 | 51 | 0 | 0 | 0 | 0 | 110.1 | L85 T89 | L85-T87 PolarHBondContact O-N 3.48Å; T87-T89 PolarHBondContact O-N 3.45Å |
| 88 | T | 55.2 | Low | 57.1 | Low | 52 Ų | 52 | 103.8 Ų | 103.8 | 32% | 0.319 | 61% | 0.61 | S | S | . | * | trans | -85.9 | 94.4 | 174.2 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | N50 E61 P90 | N50-T88 PolarHBondContact ND2-OG1 2.04Å; E61-T88 HydrophobicContact CG-CG2 4.16Å; T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.26Å | ||
| 89 | T | 47.5 | Very low | 55.3 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | trans | -76.2 | 110 | 161.4 | -54.9 | 0 | 0 | 0 | 0 | 107.1 | T87 | T87-T89 PolarHBondContact O-N 3.45Š| ||
| 90 | P | 43.8 | Very low | 52.9 | Low | 89 Ų | 89 | 107 Ų | 107 | 58% | 0.578 | 64% | 0.644 | S | S | * | * | trans | -64.4 | 132.6 | 175.3 | 26.6 | -32.2 | 0 | 0 | 0 | 108.8 | T88 | T88-P90 VanDerWaalsContact O-CD 3.22Å; T88-P90 WeakPolarHBondContact O-CD 3.26Å | ||
| 91 | P | 41.3 | Very low | 51.1 | Low | 105 Ų | 105 | 113.8 Ų | 113.8 | 68% | 0.682 | 67% | 0.674 | S | S | * | * | trans | -62.2 | 144.7 | 169.5 | 26.6 | -32.2 | 0 | 0 | 0 | 109.2 | S93 | P91-S93 PolarHBondContact O-N 3.47Š| ||
| 92 | P | 39.8 | Very low | 49.4 | Very low | 128 Ų | 128 | 113 Ų | 113 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | trans | -60.3 | 115.2 | -176.1 | 23.7 | -32.5 | 0 | 0 | 0 | 109.9 | T94 | P92-T94 PolarHBondContact O-N 2.03Š| ||
| 93 | S | 37.7 | Very low | 47.7 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | -83.5 | 103.2 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | P91 P95 | P91-S93 PolarHBondContact O-N 3.47Å; S93-P95 WeakPolarHBondContact O-CD 3.09Å | ||
| 94 | T | 40.4 | Very low | 46.5 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 122.5 | 167 | 33.4 | 0 | 0 | 0 | 0 | 109.2 | P92 T96 | P92-T94 PolarHBondContact O-N 2.03Å; T94-T96 PolarHBondContact O-N 3.26Å |
| 95 | P | 39.4 | Very low | 45 | Very low | 122 Ų | 122 | 113.4 Ų | 113.4 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 117.7 | 177.7 | 27.5 | -31.4 | 0 | 0 | 0 | 109.7 | S93 | S93-P95 WeakPolarHBondContact O-CD 3.09Š|
| 96 | T | 40.4 | Very low | 43.9 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128.9 | 164.7 | 12.5 | 0 | 0 | 0 | 0 | 108.8 | T94 V98 | T94-T96 PolarHBondContact O-N 3.26Å; T96-V98 PolarHBondContact O-N 3.38Å |
| 97 | P | 40.8 | Very low | 43.2 | Very low | 118 Ų | 118 | 120.1 Ų | 120.1 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.5 | -179.3 | 25.6 | -31.7 | 0 | 0 | 0 | 110.3 | T99 | P97-T99 PolarHBondContact O-N 3.44Š|
| 98 | V | 45.5 | Very low | 42.5 | Very low | 140 Ų | 140 | 120.7 Ų | 120.7 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -85.8 | 106.2 | 174.5 | -148.4 | 0 | 0 | 0 | 0 | 107.4 | T96 P100 | T96-V98 PolarHBondContact O-N 3.38Å; V98-P100 WeakPolarHBondContact O-CD 3.41Å | ||
| 99 | T | 44.8 | Very low | 42.1 | Very low | 127 Ų | 127 | 124.3 Ų | 124.3 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 118.4 | 170 | -52.2 | 0 | 0 | 0 | 0 | 108 | P97 E101 | P97-T99 PolarHBondContact O-N 3.44Å; T99-E101 PolarHBondContact O-N 2.86Å |
| 100 | P | 37.2 | Very low | 41.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125 | 178.8 | 28 | -31 | 0 | 0 | 0 | 110.1 | V98 | V98-P100 WeakPolarHBondContact O-CD 3.41Š|
| 101 | E | 41.8 | Very low | 41.8 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136 | 168.2 | -88.1 | -160.5 | 123.7 | 0 | 0 | 110.5 | T99 S103 | T99-E101 PolarHBondContact O-N 2.86Å; E101-S103 PolarHBondContact O-N 3.17Å |
| 102 | P | 41.3 | Very low | 41.9 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.4 | -179.5 | 28 | -31.5 | 0 | 0 | 0 | 111 | T104 | P102-T104 PolarHBondContact O-N 3.07Š|
| 103 | S | 40.5 | Very low | 42.1 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -82.2 | 110 | 171.6 | -44.9 | 0 | 0 | 0 | 0 | 110 | E101 | E101-S103 PolarHBondContact O-N 3.17Š| ||
| 104 | T | 41.7 | Very low | 42.4 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76 | 123.3 | 166.4 | 25.8 | 0 | 0 | 0 | 0 | 109.5 | P102 T106 | P102-T104 PolarHBondContact O-N 3.07Å; T104-T106 PolarHBondContact O-N 2.89Å |
| 105 | P | 40.6 | Very low | 42.6 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.8 | 179.4 | 27.4 | -31.7 | 0 | 0 | 0 | 110.8 | ||
| 106 | T | 45.2 | Very low | 43.2 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 130.2 | 171.5 | -3.9 | 0 | 0 | 0 | 0 | 109.9 | T104 V108 | T104-T106 PolarHBondContact O-N 2.89Å; T106-V108 PolarHBondContact O-N 2.73Å |
| 107 | P | 42.4 | Very low | 43.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128.4 | -179.2 | 26.3 | -31.9 | 0 | 0 | 0 | 111 | ||
| 108 | V | 45.7 | Very low | 43.8 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 110 | 174.4 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | T106 P110 | T106-V108 PolarHBondContact O-N 2.73Å; V108-P110 WeakPolarHBondContact O-CD 3.39Å | ||
| 109 | T | 45.8 | Very low | 43.9 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 117.5 | 170 | -44.9 | 0 | 0 | 0 | 0 | 108.5 | A111 | T109-A111 PolarHBondContact O-N 3.29Š|
| 110 | P | 40.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 129.9 | -179.4 | 27.3 | -32.3 | 0 | 0 | 0 | 110.9 | V108 | V108-P110 WeakPolarHBondContact O-CD 3.39Š|
| 111 | A | 44 | Very low | 44.1 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 139.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T109 S113 | T109-A111 PolarHBondContact O-N 3.29Å; A111-S113 PolarHBondContact O-N 2.82Å |
| 112 | P | 45.1 | Very low | 44.1 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.3 | -177.4 | 28.6 | -32.4 | 0 | 0 | 0 | 111.1 | ||
| 113 | S | 42.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -83.5 | 115.5 | 172 | -47.3 | 0 | 0 | 0 | 0 | 109.7 | A111 | A111-S113 PolarHBondContact O-N 2.82Š| ||
| 114 | T | 44.4 | Very low | 44.3 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 122.8 | 167.8 | 23.6 | 0 | 0 | 0 | 0 | 109.6 | T116 | T114-T116 PolarHBondContact O-N 3.45Š|
| 115 | P | 45.6 | Very low | 44.4 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126 | 178.4 | 28.2 | -31.4 | 0 | 0 | 0 | 110.5 | ||
| 116 | T | 51.1 | Low | 44.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.5 | 169.7 | 4.4 | 0 | 0 | 0 | 0 | 109.8 | T114 V118 | T114-T116 PolarHBondContact O-N 3.45Å; T116-V118 PolarHBondContact O-N 3.07Å |
| 117 | P | 45.4 | Very low | 44.6 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.4 | -180 | 27.2 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 118 | V | 48.1 | Very low | 44.7 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -88.5 | 111.7 | 175.2 | -164.5 | 0 | 0 | 0 | 0 | 107.9 | T116 | T116-V118 PolarHBondContact O-N 3.07Š| ||
| 119 | T | 48.7 | Very low | 44.7 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 121.9 | 169.8 | -52.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 120 | P | 39.6 | Very low | 44.5 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 122 | 178.8 | 30.1 | -29.9 | 0 | 0 | 0 | 110.2 | ||
| 121 | E | 47.3 | Very low | 44.6 | Very low | 183 Ų | 183 | 124.2 Ų | 124.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 148.6 | 167.1 | -86.3 | -155.9 | 130.3 | 0 | 0 | 111.8 | ||
| 122 | P | 41.6 | Very low | 44.6 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80 | 142.9 | -158.8 | 30.5 | -34.4 | 0 | 0 | 0 | 114.1 | ||
| 123 | S | 39.7 | Very low | 44.5 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 121.9 | 172.5 | -41.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 124 | T | 46.3 | Very low | 44.3 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 130.7 | 160.8 | 32.8 | 0 | 0 | 0 | 0 | 109 | ||
| 125 | P | 44.1 | Very low | 44.3 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 139.9 | -169 | 29.2 | -33.4 | 0 | 0 | 0 | 112.4 | ||
| 126 | T | 44.5 | Very low | 44.4 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129 | 173 | 1.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 127 | P | 44.5 | Very low | 44.1 | Very low | 116 Ų | 116 | 126 Ų | 126 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.5 | 176 | 27.4 | -30.6 | 0 | 0 | 0 | 111.4 | T129 | P127-T129 PolarHBondContact O-N 2.88Š|
| 128 | V | 44.9 | Very low | 44.2 | Very low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 124.2 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | P130 | V128-P130 WeakPolarHBondContact O-CD 3.44Š|
| 129 | T | 45.1 | Very low | 44.1 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 121.8 | 174.4 | -34.9 | 0 | 0 | 0 | 0 | 109.9 | P127 | P127-T129 PolarHBondContact O-N 2.88Š|
| 130 | P | 41.5 | Very low | 43.8 | Very low | 115 Ų | 115 | 126 Ų | 126 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.4 | 174.4 | -12.6 | 27.6 | 0 | 0 | 0 | 111.2 | V128 | V128-P130 WeakPolarHBondContact O-CD 3.44Š|
| 131 | A | 43.8 | Very low | 44 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 150.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 132 | P | 44 | Very low | 43.9 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 132.4 | -165 | 30.4 | -33.7 | 0 | 0 | 0 | 111.8 | ||
| 133 | S | 41.3 | Very low | 43.9 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -99.1 | 115.4 | 164.3 | -60.9 | 0 | 0 | 0 | 0 | 108.3 | P135 | S133-P135 VanDerWaalsContact O-CD 3.28Å; S133-P135 WeakPolarHBondContact O-CD 3.44Å | ||
| 134 | T | 39.5 | Very low | 44 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 115.5 | 172.7 | 30.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 135 | P | 44.2 | Very low | 43.9 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 124.4 | 162.8 | 20.1 | -6.7 | 0 | 0 | 0 | 109.2 | S133 | S133-P135 VanDerWaalsContact O-CD 3.28Å; S133-P135 WeakPolarHBondContact O-CD 3.44Å |
| 136 | T | 46.7 | Very low | 43.9 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 142.8 | 167.8 | 17.4 | 0 | 0 | 0 | 0 | 111.2 | V138 | T136-V138 PolarHBondContact O-N 3.37Š|
| 137 | P | 45.4 | Very low | 44 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 127.6 | -175.1 | 28.2 | -33 | 0 | 0 | 0 | 111 | ||
| 138 | V | 47.3 | Very low | 44.1 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | -95.6 | 113.3 | 167.5 | -163.7 | 0 | 0 | 0 | 0 | 106.8 | T136 P140 | T136-V138 PolarHBondContact O-N 3.37Å; V138-P140 VanDerWaalsContact O-CD 3.28Å; V138-P140 WeakPolarHBondContact O-CD 3.49Å | ||
| 139 | T | 46.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.3 | 171.1 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 140 | P | 41.9 | Very low | 43.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 125.1 | 170.2 | 29.8 | -29.1 | 0 | 0 | 0 | 109.3 | V138 | V138-P140 VanDerWaalsContact O-CD 3.28Å; V138-P140 WeakPolarHBondContact O-CD 3.49Å |
| 141 | E | 43.7 | Very low | 43.9 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66 | 145.8 | 167.3 | -84.1 | -165.5 | 126.4 | 0 | 0 | 110.9 | S143 | E141-S143 PolarHBondContact O-N 2.92Š|
| 142 | P | 45.1 | Very low | 44 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 117.7 | -176.5 | 29.6 | -32.6 | 0 | 0 | 0 | 111.9 | T144 | P142-T144 PolarHBondContact O-N 2.7Š|
| 143 | S | 41.9 | Very low | 43.8 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 106.4 | 166.3 | -59.4 | 0 | 0 | 0 | 0 | 110 | E141 | E141-S143 PolarHBondContact O-N 2.92Š| ||
| 144 | T | 42.5 | Very low | 43.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 124.5 | 167.7 | 39.8 | 0 | 0 | 0 | 0 | 110.6 | P142 | P142-T144 PolarHBondContact O-N 2.7Š|
| 145 | P | 43.3 | Very low | 43.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.6 | 177.1 | 29.5 | -31.4 | 0 | 0 | 0 | 111.2 | ||
| 146 | T | 45 | Very low | 43.9 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.5 | 170.2 | -5.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 147 | P | 45.6 | Very low | 43.7 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 130 | -178 | 28.2 | -32.7 | 0 | 0 | 0 | 111.5 | ||
| 148 | V | 46.7 | Very low | 43.8 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -95.3 | 111.9 | 172.4 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 149 | T | 46.4 | Very low | 43.7 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 121.2 | 171.4 | -48.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 150 | P | 39 | Very low | 43.3 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 129.6 | 179.2 | 29.6 | -30 | 0 | 0 | 0 | 111.1 | ||
| 151 | E | 43.6 | Very low | 43.4 | Very low | 184 Ų | 184 | 132.8 Ų | 132.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 142.9 | 169.4 | -88.8 | -164 | 128.6 | 0 | 0 | 111.5 | ||
| 152 | P | 44.1 | Very low | 43.3 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 123.2 | -178.4 | 30.7 | -32 | 0 | 0 | 0 | 112.5 | ||
| 153 | S | 39.9 | Very low | 43 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 110.5 | 170.4 | -58 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 154 | T | 41.2 | Very low | 43.1 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.4 | 168.4 | 36.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 155 | P | 40.7 | Very low | 43 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 130 | 178.5 | 30.2 | -31.2 | 0 | 0 | 0 | 111.9 | ||
| 156 | T | 46.5 | Very low | 43.1 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 136.9 | 171.9 | 3.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 157 | P | 42.9 | Very low | 43 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 134.1 | -177.8 | 29.3 | -32.6 | 0 | 0 | 0 | 111.9 | ||
| 158 | V | 45.8 | Very low | 43 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -100.3 | 115.1 | 175.1 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 159 | T | 45 | Very low | 42.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 123.1 | 174 | -49.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 160 | P | 38.2 | Very low | 42.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 129.5 | -179 | 30.4 | -30.4 | 0 | 0 | 0 | 111.5 | ||
| 161 | E | 43.5 | Very low | 42.7 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 141 | 169.5 | -84.9 | -161.7 | 127 | 0 | 0 | 111.8 | ||
| 162 | P | 41.6 | Very low | 42.7 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 124.3 | -178.6 | 30.2 | -31.9 | 0 | 0 | 0 | 111.7 | ||
| 163 | S | 40.1 | Very low | 42.7 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 116.1 | 171.6 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 164 | T | 43.5 | Very low | 42.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.4 | 170.8 | 25.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 165 | P | 40.9 | Very low | 43.1 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 126.8 | -179 | 31.2 | -31.3 | 0 | 0 | 0 | 111.6 | ||
| 166 | T | 45.8 | Very low | 43.4 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 138.1 | 167.7 | 10.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 167 | P | 42.3 | Very low | 43.2 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 130.5 | -177.6 | 28.6 | -32.4 | 0 | 0 | 0 | 111.3 | ||
| 168 | V | 45.2 | Very low | 43.5 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -104.2 | 117.2 | 176.7 | -159 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 169 | T | 45 | Very low | 43.6 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.3 | 174.4 | -52.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 170 | P | 38.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 124.3 | -174.4 | 30.4 | -31 | 0 | 0 | 0 | 111.6 | ||
| 171 | E | 43.4 | Very low | 44 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 142.4 | 164.5 | -86.7 | -161.4 | 128.6 | 0 | 0 | 111.2 | S173 | E171-S173 PolarHBondContact O-N 2.9Š|
| 172 | P | 43.4 | Very low | 44.1 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.4 | -175.8 | 27.7 | -32.3 | 0 | 0 | 0 | 111.6 | ||
| 173 | S | 43.4 | Very low | 44.7 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 118 | 173.8 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | E171 | E171-S173 PolarHBondContact O-N 2.9Š|
| 174 | T | 43.7 | Very low | 45.3 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 130.7 | 167.5 | 4.3 | 0 | 0 | 0 | 0 | 109.6 | T176 | T174-T176 PolarHBondContact O-N 3.3Š|
| 175 | P | 45 | Very low | 45.8 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.8 | -175.4 | 26 | -32.2 | 0 | 0 | 0 | 110.5 | ||
| 176 | T | 47 | Very low | 46.5 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -71 | 136.6 | 169.9 | -8 | 0 | 0 | 0 | 0 | 108.5 | T174 V178 | T174-T176 PolarHBondContact O-N 3.3Å; T176-V178 PolarHBondContact O-N 3.05Å |
| 177 | P | 43.9 | Very low | 47.3 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 126.3 | -176.1 | 21.8 | -31.1 | 0 | 0 | 0 | 111.1 | T179 | P177-T179 PolarHBondContact O-N 3.11Š|
| 178 | V | 48.6 | Very low | 48.5 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -71.5 | 109.9 | 176.6 | -166.2 | 0 | 0 | 0 | 0 | 107.8 | T176 P180 | T176-V178 PolarHBondContact O-N 3.05Å; V178-P180 WeakPolarHBondContact O-CD 3.37Å | ||
| 179 | T | 47.9 | Very low | 50.4 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 119.7 | 166.3 | -53 | 0 | 0 | 0 | 0 | 106.6 | P177 A181 | P177-T179 PolarHBondContact O-N 3.11Å; T179-A181 PolarHBondContact O-N 3.1Å |
| 180 | P | 43.4 | Very low | 52.6 | Low | 112 Ų | 112 | 107.3 Ų | 107.3 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135.9 | -176.7 | 21.2 | -29.6 | 0 | 0 | 0 | 110.1 | V178 | V178-P180 WeakPolarHBondContact O-CD 3.37Š|
| 181 | A | 48.1 | Very low | 55.1 | Low | 86 Ų | 86 | 107 Ų | 107 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 141.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | T179 T183 | T179-A181 PolarHBondContact O-N 3.1Å; A181-T183 PolarHBondContact O-N 2.86Å |
| 182 | P | 46.2 | Very low | 57.4 | Low | 128 Ų | 128 | 100.9 Ų | 100.9 | 83% | 0.831 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 124.2 | -179.1 | -20.5 | 30 | 0 | 0 | 0 | 110.8 | ||
| 183 | T | 53.9 | Low | 59.6 | Low | 127 Ų | 127 | 97.5 Ų | 97.5 | 78% | 0.779 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.3 | 173.2 | -40.1 | 0 | 0 | 0 | 0 | 108.8 | A181 | A181-T183 PolarHBondContact O-N 2.86Š|
| 184 | P | 52.4 | Low | 61.7 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.3 | 177.3 | 21.7 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 185 | P | 53.9 | Low | 64 | Low | 71 Ų | 71 | 94 Ų | 94 | 46% | 0.461 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -62 | 150.8 | -178.3 | 26.2 | -33.6 | 0 | 0 | 0 | 110.7 | A189 | P185-A189 HydrophobicContact CB-CB 3.96Š|
| 186 | P | 55.6 | Low | 66.1 | Low | 103 Ų | 103 | 88.6 Ų | 88.6 | 67% | 0.669 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 143.1 | 179.8 | 21.7 | -31.6 | 0 | 0 | 0 | 110.8 | G188 A189 | P186-G188 PolarHBondContact O-N 3.34Å; P186-A189 HydrophobicContact CG-CB 4.12Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.3Å |
| 187 | S | 61.9 | Low | 68.2 | Low | 132 Ų | 132 | 86.6 Ų | 86.6 | 92% | 0.923 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.6 | 111.6 | -174.2 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 188 | G | 69 | Low | 70.2 | Confident | 46 Ų | 46 | 85.9 Ų | 85.9 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 106.9 | -11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P186 K206 C207 | P186-G188 PolarHBondContact O-N 3.34Å; G188-K206 WeakPolarHBondContact O-CA 3.3Å; G188-C207 PolarHBondContact O-N 3.49Å; G188-C207 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 83.8 | Confident | 72.2 | Confident | 36 Ų | 36 | 83.5 Ų | 83.5 | 30% | 0.298 | 56% | 0.557 | S | S | . | * | B | Isolated β-bridge | trans | -84 | 141.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P185 P186 M205 | P185-A189 HydrophobicContact CB-CB 3.96Å; P186-A189 HydrophobicContact CG-CB 4.12Å; P186-A189 WeakPolarHBondContact O-CB 3.35Å; P186-A189 PolarHBondContact O-N 3.3Å; A189-M205 CarbonylContact C-O 3.47Å; A189-M205 WeakPolarHBondContact CA-O 3.39Å |
| 190 | C | 91.1 | Very high | 74.3 | Confident | 2 Ų | 2 | 78.2 Ų | 78.2 | 1% | 0.014 | 52% | 0.524 | C | S | . | . | trans | -138.4 | 152.5 | -177.1 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | D195 C196 C202 M205 K206 | C190-D195 HydrophobicContact CB-CB 3.88Å; C190-C196 WeakPolarHBondContact CB-SG 3.26Å; C190-C196 VanDerWaalsContact SG-SG 3.65Å; C190-C202 HydrophobicContact CB-CB 3.74Å; C190-C202 WeakPolarHBondContact CB-SG 3.44Å; C190-C202 PolarHBondContact O-SG 3.11Å; C190-C202 WeakPolarHBondContact SG-CA 2.96Å; C190-C202 WeakPolarHBondContact SG-CB 3.31Å; C190-C202 CovalentContact SG-SG 2.03Å; C190-C202 PolarHBondContact SG-SG 2.96Å; C190-M205 PolarHBondContact N-O 3.35Å; C190-M205 WeakPolarHBondContact O-CA 3.09Å; C190-M205 WeakPolarHBondContact O-CB 3.21Å; C190-K206 PolarHBondContact SG-N 2.02Å; C190-K206 VanDerWaalsContact SG-N 3.38Å | ||
| 191 | S | 90.6 | Very high | 76.6 | Confident | 112 Ų | 112 | 73.1 Ų | 73.1 | 78% | 0.783 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -109.9 | -21.1 | 171.5 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | D195 | S191-D195 WeakPolarHBondContact CA-OD2 3.22Å; S191-D195 PolarHBondContact N-OD2 2.63Å |
| 192 | S | 91.7 | Very high | 78.7 | Confident | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -147 | 165.1 | 178.3 | 74.9 | 0 | 0 | 0 | 0 | 111 | A194 D195 C202 | S192-A194 PolarHBondContact O-N 3.04Å; S192-A194 VanDerWaalsContact O-N 3.16Å; S192-A194 PolarHBondContact OG-N 3.37Å; S192-D195 PolarHBondContact N-OD2 3.13Å; S192-D195 PolarHBondContact O-N 2.81Å; S192-D195 VanDerWaalsContact O-N 3.12Å; S192-D195 PolarHBondContact OG-OD2 3.45Å; S192-C202 VanDerWaalsContact C-CB 3.48Å; S192-C202 WeakPolarHBondContact O-CB 3.31Å |
| 193 | H | 90.3 | Very high | 80.8 | Confident | 54 Ų | 54 | 66.8 Ų | 66.8 | 25% | 0.25 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -62.1 | -18.8 | 174.2 | -61.8 | -73.3 | 0 | 0 | 0 | 113.7 | D195 C196 C202 V228 R230 | H193-D195 VanDerWaalsContact C-N 3.29Å; H193-C196 PolarHBondContact O-N 2.83Å; H193-C202 PolarHBondContact CE1-O 3.11Å; H193-C202 PolarHBondContact ND1-N 3.38Å; H193-V228 HydrophobicContact CB-CB 4.12Å; H193-V228 HydrophobicContact CB-CG1 4.39Å; H193-V228 HydrophobicContact CB-CG2 3.79Å; H193-R230 PolarHBondContact O-NH2 2.55Å |
| 194 | A | 87.8 | Confident | 82.5 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 74% | 0.736 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -73.9 | -21.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S192 C196 | S192-A194 PolarHBondContact O-N 3.04Å; S192-A194 VanDerWaalsContact O-N 3.16Å; S192-A194 PolarHBondContact OG-N 3.37Å; A194-C196 PolarHBondContact O-N 3.48Å |
| 195 | D | 91 | Very high | 84.3 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -78.7 | -14.4 | 177.7 | -51.7 | -38.8 | 0 | 0 | 0 | 112 | C190 S191 S192 H193 | C190-D195 HydrophobicContact CB-CB 3.88Å; S191-D195 WeakPolarHBondContact CA-OD2 3.22Å; S191-D195 PolarHBondContact N-OD2 2.63Å; S192-D195 PolarHBondContact N-OD2 3.13Å; S192-D195 PolarHBondContact O-N 2.81Å; S192-D195 VanDerWaalsContact O-N 3.12Å; S192-D195 PolarHBondContact OG-OD2 3.45Å; H193-D195 VanDerWaalsContact C-N 3.29Å |
| 196 | C | 90.6 | Very high | 86.1 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -99.4 | 150.9 | -179.6 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | C190 H193 A194 T200 C207 R230 | C190-C196 WeakPolarHBondContact CB-SG 3.26Å; C190-C196 VanDerWaalsContact SG-SG 3.65Å; H193-C196 PolarHBondContact O-N 2.83Å; A194-C196 PolarHBondContact O-N 3.48Å; C196-T200 WeakPolarHBondContact CB-O 3.25Å; C196-T200 WeakPolarHBondContact CB-OG1 3.24Å; C196-C207 WeakPolarHBondContact CA-SG 3.35Å; C196-C207 HydrophobicContact CB-CB 3.91Å; C196-C207 WeakPolarHBondContact CB-SG 3.41Å; C196-C207 WeakPolarHBondContact SG-CA 3.32Å; C196-C207 WeakPolarHBondContact SG-CB 3.46Å; C196-C207 CovalentContact SG-SG 2.05Å; C196-C207 PolarHBondContact SG-SG 3.36Å; C196-R230 PolarHBondContact O-NH2 3.13Å |
| 197 | S | 89.4 | Confident | 87.9 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 58% | 0.58 | 42% | 0.423 | S | S | * | . | trans | -60.4 | 160.3 | 174.4 | -50.7 | 0 | 0 | 0 | 0 | 112 | T199 T200 R230 | S197-T199 PolarHBondContact O-N 3.2Å; S197-T200 PolarHBondContact N-OG1 3.22Å; S197-T200 PolarHBondContact O-N 2.84Å; S197-T200 PolarHBondContact O-OG1 3.29Å; S197-R230 VanDerWaalsContact O-CZ 3.23Å; S197-R230 PolarHBondContact O-NH1 3.02Å; S197-R230 PolarHBondContact O-NH2 3.19Å; S197-R230 VanDerWaalsContact O-NH2 3.11Å | ||
| 198 | N | 87.7 | Confident | 89.3 | Confident | 103 Ų | 103 | 64.4 Ų | 64.4 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16 | -175.8 | -74.3 | -21.7 | 0 | 0 | 0 | 115.4 | R230 | N198-R230 VanDerWaalsContact CA-NH1 3.31Å; N198-R230 WeakPolarHBondContact O-CD 3.16Å; N198-R230 PolarHBondContact O-NH1 3.37Å |
| 199 | T | 89.1 | Confident | 90.4 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 1.1 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 114 | S197 A210 | S197-T199 PolarHBondContact O-N 3.2Å; T199-A210 PolarHBondContact O-N 3.28Å |
| 200 | T | 91.8 | Very high | 90.9 | Very high | 18 Ų | 18 | 66.2 Ų | 66.2 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.2 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | C196 S197 V208 R230 | C196-T200 WeakPolarHBondContact CB-O 3.25Å; C196-T200 WeakPolarHBondContact CB-OG1 3.24Å; S197-T200 PolarHBondContact N-OG1 3.22Å; S197-T200 PolarHBondContact O-N 2.84Å; S197-T200 PolarHBondContact O-OG1 3.29Å; T200-V208 CarbonylContact C-O 3.58Å; T200-V208 WeakPolarHBondContact CA-O 3.41Å; T200-V208 WeakPolarHBondContact CB-O 3.39Å; T200-R230 VanDerWaalsContact O-CZ 3.22Å; T200-R230 PolarHBondContact O-NH1 2.92Å; T200-R230 PolarHBondContact O-NH2 2.83Å |
| 201 | L | 92.2 | Very high | 91 | Very high | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.3 | 177.3 | 67.2 | 83 | 0 | 0 | 0 | 110.7 | E203 C207 V208 A210 K236 K237 | L201-E203 HydrophobicContact CD1-CB 3.64Å; L201-E203 PolarHBondContact O-N 2.04Å; L201-C207 CarbonylContact O-C 3.56Å; L201-C207 WeakPolarHBondContact O-CA 3.42Å; L201-V208 HydrophobicContact CD1-CG2 3.46Å; L201-V208 VanDerWaalsContact CD1-CG2 3.46Å; L201-V208 HydrophobicContact CG-CG2 3.79Å; L201-V208 PolarHBondContact N-O 3.07Å; L201-V208 PolarHBondContact O-N 3.16Å; L201-A210 HydrophobicContact CB-CB 4.25Å; L201-A210 HydrophobicContact CD2-CB 3.88Å; L201-A210 HydrophobicContact CG-CB 4.15Å; L201-K236 VanDerWaalsContact CD2-C 3.41Å; L201-K237 VanDerWaalsContact CD2-CA 3.49Å; L201-K237 HydrophobicContact CD2-CB 4.03Å |
| 202 | C | 92.2 | Very high | 91.1 | Very high | 20 Ų | 20 | 67 Ų | 67 | 14% | 0.135 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 115.5 | 174 | -170 | 0 | 0 | 0 | 0 | 110.2 | C190 S192 H193 | C190-C202 HydrophobicContact CB-CB 3.74Å; C190-C202 WeakPolarHBondContact CB-SG 3.44Å; C190-C202 PolarHBondContact O-SG 3.11Å; C190-C202 WeakPolarHBondContact SG-CA 2.96Å; C190-C202 WeakPolarHBondContact SG-CB 3.31Å; C190-C202 CovalentContact SG-SG 2.03Å; C190-C202 PolarHBondContact SG-SG 2.96Å; S192-C202 VanDerWaalsContact C-CB 3.48Å; S192-C202 WeakPolarHBondContact O-CB 3.31Å; H193-C202 PolarHBondContact CE1-O 3.11Å; H193-C202 PolarHBondContact ND1-N 3.38Å |
| 203 | E | 90.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 65.7 Ų | 65.7 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 129.5 | 174.1 | -172.4 | -178.8 | -162.3 | 0 | 0 | 108.5 | L201 M205 K206 V208 K237 | L201-E203 HydrophobicContact CD1-CB 3.64Å; L201-E203 PolarHBondContact O-N 2.04Å; E203-M205 VanDerWaalsContact C-N 3.25Å; E203-M205 PolarHBondContact O-N 3.43Å; E203-K206 PolarHBondContact N-O 2.82Å; E203-K206 PolarHBondContact O-N 3.29Å; E203-K206 VanDerWaalsContact O-O 3.06Å; E203-V208 HydrophobicContact CB-CG2 4.13Å; E203-K237 IonicContact OE1-NZ 2.9Å; E203-K237 VanDerWaalsContact OE2-CD 3.26Å; E203-K237 WeakPolarHBondContact OE2-CD 3.31Å; E203-K237 VanDerWaalsContact OE2-CE 3.22Å; E203-K237 WeakPolarHBondContact OE2-CE 3.43Å; E203-K237 IonicContact OE2-NZ 2.78Å; E203-K237 PolarHBondContact OE2-NZ 2.96Å |
| 204 | N | 89.4 | Confident | 91.3 | Very high | 146 Ų | 146 | 71.5 Ų | 71.5 | 78% | 0.781 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.1 | -178 | -60.5 | -39.6 | 0 | 0 | 0 | 113.5 | K206 | N204-K206 PolarHBondContact O-N 2.97Š|
| 205 | M | 89.6 | Confident | 91.6 | Very high | 146 Ų | 146 | 70.5 Ų | 70.5 | 72% | 0.719 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 16.3 | -176.9 | -52.5 | -178.1 | -67.4 | 0 | 0 | 115.7 | A189 C190 E203 | A189-M205 CarbonylContact C-O 3.47Å; A189-M205 WeakPolarHBondContact CA-O 3.39Å; C190-M205 PolarHBondContact N-O 3.35Å; C190-M205 WeakPolarHBondContact O-CA 3.09Å; C190-M205 WeakPolarHBondContact O-CB 3.21Å; E203-M205 VanDerWaalsContact C-N 3.25Å; E203-M205 PolarHBondContact O-N 3.43Å |
| 206 | K | 92.5 | Very high | 91.8 | Very high | 135 Ų | 135 | 69 Ų | 69 | 59% | 0.587 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.4 | 176.7 | -172.7 | 178.2 | 178.3 | -177.5 | 0 | 110.9 | G188 C190 E203 N204 V208 | G188-K206 WeakPolarHBondContact O-CA 3.3Å; C190-K206 PolarHBondContact SG-N 2.02Å; C190-K206 VanDerWaalsContact SG-N 3.38Å; E203-K206 PolarHBondContact N-O 2.82Å; E203-K206 PolarHBondContact O-N 3.29Å; E203-K206 VanDerWaalsContact O-O 3.06Å; N204-K206 PolarHBondContact O-N 2.97Å; K206-V208 PolarHBondContact O-N 3.17Å |
| 207 | C | 93.1 | Very high | 92 | Very high | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.216 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 118.3 | 168.6 | -60 | 0 | 0 | 0 | 0 | 109.8 | G188 C196 L201 | G188-C207 PolarHBondContact O-N 3.49Å; G188-C207 VanDerWaalsContact O-N 3.09Å; C196-C207 WeakPolarHBondContact CA-SG 3.35Å; C196-C207 HydrophobicContact CB-CB 3.91Å; C196-C207 WeakPolarHBondContact CB-SG 3.41Å; C196-C207 WeakPolarHBondContact SG-CA 3.32Å; C196-C207 WeakPolarHBondContact SG-CB 3.46Å; C196-C207 CovalentContact SG-SG 2.05Å; C196-C207 PolarHBondContact SG-SG 3.36Å; L201-C207 CarbonylContact O-C 3.56Å; L201-C207 WeakPolarHBondContact O-CA 3.42Å |
| 208 | V | 92 | Very high | 92.2 | Very high | 33 Ų | 33 | 67.7 Ų | 67.7 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.7 | 176 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | T200 L201 E203 K206 K237 | T200-V208 CarbonylContact C-O 3.58Å; T200-V208 WeakPolarHBondContact CA-O 3.41Å; T200-V208 WeakPolarHBondContact CB-O 3.39Å; L201-V208 HydrophobicContact CD1-CG2 3.46Å; L201-V208 VanDerWaalsContact CD1-CG2 3.46Å; L201-V208 HydrophobicContact CG-CG2 3.79Å; L201-V208 PolarHBondContact N-O 3.07Å; L201-V208 PolarHBondContact O-N 3.16Å; E203-V208 HydrophobicContact CB-CG2 4.13Å; K206-V208 PolarHBondContact O-N 3.17Å; V208-K237 HydrophobicContact CG2-CG 4.17Å |
| 209 | D | 92.6 | Very high | 92.3 | Very high | 106 Ų | 106 | 71.3 Ų | 71.3 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 142 | 178.3 | -63.5 | -39.5 | 0 | 0 | 0 | 111.3 | Y238 | D209-Y238 HydrophobicContact CB-CD1 4.37Å; D209-Y238 WeakPolarHBondContact O-CB 3.41Å; D209-Y238 PolarHBondContact O-N 3.46Å |
| 210 | A | 93 | Very high | 92.4 | Very high | 13 Ų | 13 | 72.5 Ų | 72.5 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T199 L201 W235 K236 | T199-A210 PolarHBondContact O-N 3.28Å; L201-A210 HydrophobicContact CB-CB 4.25Å; L201-A210 HydrophobicContact CD2-CB 3.88Å; L201-A210 HydrophobicContact CG-CB 4.15Å; A210-W235 HydrophobicContact CB-CB 4.48Å; A210-W235 HydrophobicContact CB-CE3 3.96Å; A210-W235 WeakPolarHBondContact O-CZ3 3.39Å; A210-K236 CarbonylContact C-O 3.58Å; A210-K236 WeakPolarHBondContact CA-O 3.37Å; A210-K236 VanDerWaalsContact CB-O 3.31Å; A210-K236 WeakPolarHBondContact CB-O 3.32Å |
| 211 | E | 92.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 76.7 Ų | 76.7 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.3 | 173.3 | 64.4 | 174.6 | -176.9 | 0 | 0 | 111 | W235 K236 Y238 | E211-W235 WeakPolarHBondContact O-CA 3.27Å; E211-K236 HydrophobicContact CG-CG 4.11Å; E211-K236 PolarHBondContact N-O 3.43Å; E211-K236 PolarHBondContact O-N 3.1Å; E211-K236 WeakPolarHBondContact OE1-CE 3.22Å; E211-K236 IonicContact OE1-NZ 2.68Å; E211-K236 PolarHBondContact OE1-NZ 3.16Å; E211-Y238 HydrophobicContact CB-CD2 4.14Å; E211-Y238 HydrophobicContact CG-CD2 4.27Å |
| 212 | P | 94.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 81 Ų | 81 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 142.9 | 172.7 | 30.4 | -33.1 | 0 | 0 | 0 | 110.3 | L233 W235 | P212-L233 HydrophobicContact CB-CD1 4.36Å; P212-W235 HydrophobicContact CB-CD2 4.24Å; P212-W235 HydrophobicContact CB-CH2 4.45Å; P212-W235 HydrophobicContact CB-CZ2 4.03Å; P212-W235 HydrophobicContact CG-CH2 4.31Å; P212-W235 HydrophobicContact CG-CZ2 4.31Å |
| 213 | T | 92.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 81.1 Ų | 81.1 | 15% | 0.153 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 169.3 | 168.8 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | K215 C234 K236 | T213-K215 PolarHBondContact O-N 3.37Å; T213-K215 PolarHBondContact OG1-N 3.23Å; T213-C234 WeakPolarHBondContact CB-O 2.94Å; T213-C234 WeakPolarHBondContact CG2-O 3.24Å; T213-C234 PolarHBondContact N-O 2.97Å; T213-C234 VanDerWaalsContact OG1-CB 3.31Å; T213-C234 WeakPolarHBondContact OG1-CB 3.33Å; T213-C234 PolarHBondContact OG1-O 3.41Å; T213-K236 HydrophobicContact CG2-CB 4.08Å; T213-K236 HydrophobicContact CG2-CD 3.67Å; T213-K236 HydrophobicContact CG2-CG 3.61Å |
| 214 | D | 92.5 | Very high | 92.4 | Very high | 175 Ų | 175 | 82.2 Ų | 82.2 | 94% | 0.936 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | -5.9 | 173.4 | -60.1 | -44.8 | 0 | 0 | 0 | 113.6 | A216 | D214-A216 PolarHBondContact O-N 3.42Å |
| 215 | K | 94.2 | Very high | 92.2 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 30% | 0.296 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.4 | -177.6 | -169.2 | -177.9 | -173.5 | -175.8 | 0 | 110 | T213 D224 C234 | T213-K215 PolarHBondContact O-N 3.37Å; T213-K215 PolarHBondContact OG1-N 3.23Å; K215-D224 IonicContact NZ-OD1 2.67Å; K215-D224 PolarHBondContact NZ-OD1 2.83Å; K215-D224 IonicContact NZ-OD2 3.9Å; K215-D224 PolarHBondContact NZ-OD2 2.88Å; K215-C234 HydrophobicContact CB-CB 4.24Å; K215-C234 PolarHBondContact O-N 3.21Å |
| 216 | A | 95.5 | Very high | 92 | Very high | 55 Ų | 55 | 77.6 Ų | 77.6 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 147.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D214 Q221 G232 | D214-A216 PolarHBondContact O-N 3.42Å; A216-Q221 PolarHBondContact O-NE2 3.05Å; A216-G232 CarbonylContact C-O 3.51Å; A216-G232 VanDerWaalsContact CA-O 3.26Å; A216-G232 WeakPolarHBondContact CA-O 2.89Å |
| 217 | C | 95.7 | Very high | 92 | Very high | 12 Ų | 12 | 73.3 Ų | 73.3 | 8% | 0.081 | 44% | 0.44 | C | S | . | . | trans | -136.7 | 156 | 179.4 | 59 | 0 | 0 | 0 | 0 | 113 | Q221 C223 C229 G232 L233 C234 | C217-Q221 VanDerWaalsContact CA-O 3.24Å; C217-Q221 WeakPolarHBondContact CA-O 3.28Å; C217-Q221 WeakPolarHBondContact CB-O 3.47Å; C217-C223 WeakPolarHBondContact CB-SG 3.21Å; C217-C229 VanDerWaalsContact C-SG 3.58Å; C217-C229 HydrophobicContact CB-CB 3.7Å; C217-C229 WeakPolarHBondContact CB-SG 3.41Å; C217-C229 WeakPolarHBondContact SG-CA 3.23Å; C217-C229 WeakPolarHBondContact SG-CB 2.98Å; C217-C229 CovalentContact SG-SG 2.02Å; C217-C229 PolarHBondContact SG-SG 2.65Å; C217-G232 PolarHBondContact N-O 3.13Å; C217-L233 PolarHBondContact SG-N 3.46Å; C217-L233 VanDerWaalsContact SG-N 3.43Å; C217-L233 PolarHBondContact SG-O 3.31Å; C217-C234 VanDerWaalsContact CB-SG 3.5Å | ||
| 218 | S | 93.4 | Very high | 92 | Very high | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 44% | 0.437 | S | S | . | . | trans | -152.6 | 177.3 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | S220 Q221 | S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact OG-N 3.5Å; S218-S220 PolarHBondContact OG-OG 2.87Å; S218-Q221 PolarHBondContact N-O 3.23Å; S218-Q221 CarbonylContact O-C 3.54Å; S218-Q221 PolarHBondContact O-N 3.45Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 VanDerWaalsContact O-O 3.13Å; S218-Q221 PolarHBondContact OG-N 3.18Å | ||
| 219 | D | 89.9 | Confident | 92.1 | Very high | 179 Ų | 179 | 74 Ų | 74 | 96% | 0.957 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -57.7 | -30.9 | 172.4 | -63.6 | -30.9 | 0 | 0 | 0 | 112.5 | ||
| 220 | S | 90.5 | Very high | 92.1 | Very high | 111 Ų | 111 | 70 Ų | 70 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -87.6 | -22.9 | 177.6 | 57.2 | 0 | 0 | 0 | 0 | 114 | S218 P222 | S218-S220 PolarHBondContact O-N 2.99Å; S218-S220 PolarHBondContact OG-N 3.5Å; S218-S220 PolarHBondContact OG-OG 2.87Å; S220-P222 WeakPolarHBondContact O-CD 3.29Å |
| 221 | Q | 91.2 | Very high | 92 | Very high | 105 Ų | 105 | 76.4 Ų | 76.4 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -124.5 | 80.9 | -179.7 | -170.4 | 174.4 | -77.3 | 0 | 0 | 109.5 | A216 C217 S218 | A216-Q221 PolarHBondContact O-NE2 3.05Å; C217-Q221 VanDerWaalsContact CA-O 3.24Å; C217-Q221 WeakPolarHBondContact CA-O 3.28Å; C217-Q221 WeakPolarHBondContact CB-O 3.47Å; S218-Q221 PolarHBondContact N-O 3.23Å; S218-Q221 CarbonylContact O-C 3.54Å; S218-Q221 PolarHBondContact O-N 3.45Å; S218-Q221 VanDerWaalsContact O-N 3.15Å; S218-Q221 VanDerWaalsContact O-O 3.13Å; S218-Q221 PolarHBondContact OG-N 3.18Å |
| 222 | P | 91.7 | Very high | 92 | Very high | 94 Ų | 94 | 75.1 Ų | 75.1 | 61% | 0.61 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 160 | 178.6 | 29.1 | -34.8 | 0 | 0 | 0 | 111.5 | S220 | S220-P222 WeakPolarHBondContact O-CD 3.29Š|
| 223 | C | 94.2 | Very high | 92 | Very high | 23 Ų | 23 | 75.3 Ų | 75.3 | 16% | 0.155 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 167.8 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | C217 Q227 C234 | C217-C223 WeakPolarHBondContact CB-SG 3.21Å; C223-Q227 HydrophobicContact CB-CB 3.55Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.69Å; C223-C234 WeakPolarHBondContact CB-SG 3.04Å; C223-C234 WeakPolarHBondContact SG-CA 3.46Å; C223-C234 WeakPolarHBondContact SG-CB 3Å; C223-C234 CovalentContact SG-SG 2.03Å; C223-C234 PolarHBondContact SG-SG 3.38Å |
| 224 | D | 91.2 | Very high | 92.2 | Very high | 84 Ų | 84 | 74.1 Ų | 74.1 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 166 | 175 | -58.8 | -52.8 | 0 | 0 | 0 | 111.2 | K215 A226 Q227 | K215-D224 IonicContact NZ-OD1 2.67Å; K215-D224 PolarHBondContact NZ-OD1 2.83Å; K215-D224 IonicContact NZ-OD2 3.9Å; K215-D224 PolarHBondContact NZ-OD2 2.88Å; D224-A226 PolarHBondContact O-N 3.23Å; D224-Q227 WeakPolarHBondContact O-CB 3.27Å; D224-Q227 PolarHBondContact O-N 2.04Å |
| 225 | S | 84.9 | Confident | 92.3 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 83% | 0.832 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.4 | 179.1 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | Q227 | S225-Q227 VanDerWaalsContact C-N 3.29Š|
| 226 | A | 84.6 | Confident | 92.3 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 10.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D224 | D224-A226 PolarHBondContact O-N 3.23Š|
| 227 | Q | 92.4 | Very high | 92.1 | Very high | 45 Ų | 45 | 70 Ų | 70 | 21% | 0.21 | 41% | 0.41 | C | S | . | . | trans | -108.1 | 159.7 | 170.6 | -60.8 | 178.2 | 9 | 0 | 0 | 111.4 | C223 D224 S225 W235 K236 | C223-Q227 HydrophobicContact CB-CB 3.55Å; D224-Q227 WeakPolarHBondContact O-CB 3.27Å; D224-Q227 PolarHBondContact O-N 2.04Å; S225-Q227 VanDerWaalsContact C-N 3.29Å; Q227-W235 WeakPolarHBondContact CA-O 3.46Å; Q227-W235 WeakPolarHBondContact CB-O 3.22Å; Q227-K236 HydrophobicContact CG-CB 3.97Å | ||
| 228 | V | 92.5 | Very high | 91.8 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.5 | 175.5 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | H193 R230 W235 | H193-V228 HydrophobicContact CB-CB 4.12Å; H193-V228 HydrophobicContact CB-CG1 4.39Å; H193-V228 HydrophobicContact CB-CG2 3.79Å; V228-R230 HydrophobicContact CG1-CG 4.34Å; V228-R230 HydrophobicContact CG2-CG 4.42Å; V228-W235 HydrophobicContact CG1-CB 4.08Å; V228-W235 PolarHBondContact N-O 2.9Å; V228-W235 VanDerWaalsContact N-O 3.1Å; V228-W235 PolarHBondContact O-N 3.41Å |
| 229 | C | 94.4 | Very high | 91.3 | Very high | 53 Ų | 53 | 78.4 Ų | 78.4 | 36% | 0.358 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.8 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | C217 | C217-C229 VanDerWaalsContact C-SG 3.58Å; C217-C229 HydrophobicContact CB-CB 3.7Å; C217-C229 WeakPolarHBondContact CB-SG 3.41Å; C217-C229 WeakPolarHBondContact SG-CA 3.23Å; C217-C229 WeakPolarHBondContact SG-CB 2.98Å; C217-C229 CovalentContact SG-SG 2.02Å; C217-C229 PolarHBondContact SG-SG 2.65Å |
| 230 | R | 92.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 73.1 Ų | 73.1 | 9% | 0.087 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130 | 172.8 | -70.7 | -175.4 | 178.6 | 151.2 | -3.7 | 110.6 | H193 C196 S197 N198 T200 V228 G232 L233 W235 | H193-R230 PolarHBondContact O-NH2 2.55Å; C196-R230 PolarHBondContact O-NH2 3.13Å; S197-R230 VanDerWaalsContact O-CZ 3.23Å; S197-R230 PolarHBondContact O-NH1 3.02Å; S197-R230 PolarHBondContact O-NH2 3.19Å; S197-R230 VanDerWaalsContact O-NH2 3.11Å; N198-R230 VanDerWaalsContact CA-NH1 3.31Å; N198-R230 WeakPolarHBondContact O-CD 3.16Å; N198-R230 PolarHBondContact O-NH1 3.37Å; T200-R230 VanDerWaalsContact O-CZ 3.22Å; T200-R230 PolarHBondContact O-NH1 2.92Å; T200-R230 PolarHBondContact O-NH2 2.83Å; V228-R230 HydrophobicContact CG1-CG 4.34Å; V228-R230 HydrophobicContact CG2-CG 4.42Å; R230-G232 PolarHBondContact O-N 2.99Å; R230-L233 PolarHBondContact N-O 3.46Å; R230-L233 PolarHBondContact O-N 3.12Å; R230-L233 VanDerWaalsContact O-N 3.1Å; R230-L233 VanDerWaalsContact O-O 3.13Å; R230-W235 PolarHBondContact O-NE1 3.22Å |
| 231 | N | 90.7 | Very high | 89.4 | Confident | 147 Ų | 147 | 72.5 Ų | 72.5 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36 | -177.6 | -57.9 | -31.2 | 0 | 0 | 0 | 113 | L233 | N231-L233 VanDerWaalsContact C-N 3.32Å; N231-L233 PolarHBondContact O-N 3.46Å |
| 232 | G | 93.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 5.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A216 C217 R230 | A216-G232 CarbonylContact C-O 3.51Å; A216-G232 VanDerWaalsContact CA-O 3.26Å; A216-G232 WeakPolarHBondContact CA-O 2.89Å; C217-G232 PolarHBondContact N-O 3.13Å; R230-G232 PolarHBondContact O-N 2.99Å |
| 233 | L | 95.4 | Very high | 87.5 | Confident | 71 Ų | 71 | 77.5 Ų | 77.5 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.1 | 174.7 | -68.1 | 173.7 | 0 | 0 | 0 | 111.3 | P212 C217 R230 N231 W235 | P212-L233 HydrophobicContact CB-CD1 4.36Å; C217-L233 PolarHBondContact SG-N 3.46Å; C217-L233 VanDerWaalsContact SG-N 3.43Å; C217-L233 PolarHBondContact SG-O 3.31Å; R230-L233 PolarHBondContact N-O 3.46Å; R230-L233 PolarHBondContact O-N 3.12Å; R230-L233 VanDerWaalsContact O-N 3.1Å; R230-L233 VanDerWaalsContact O-O 3.13Å; N231-L233 VanDerWaalsContact C-N 3.32Å; N231-L233 PolarHBondContact O-N 3.46Å; L233-W235 VanDerWaalsContact O-CD1 3.23Å |
| 234 | C | 96.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.6 | 172.8 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | T213 K215 C217 C223 | T213-C234 WeakPolarHBondContact CB-O 2.94Å; T213-C234 WeakPolarHBondContact CG2-O 3.24Å; T213-C234 PolarHBondContact N-O 2.97Å; T213-C234 VanDerWaalsContact OG1-CB 3.31Å; T213-C234 WeakPolarHBondContact OG1-CB 3.33Å; T213-C234 PolarHBondContact OG1-O 3.41Å; K215-C234 HydrophobicContact CB-CB 4.24Å; K215-C234 PolarHBondContact O-N 3.21Å; C217-C234 VanDerWaalsContact CB-SG 3.5Å; C223-C234 WeakPolarHBondContact CA-SG 3.39Å; C223-C234 HydrophobicContact CB-CB 3.69Å; C223-C234 WeakPolarHBondContact CB-SG 3.04Å; C223-C234 WeakPolarHBondContact SG-CA 3.46Å; C223-C234 WeakPolarHBondContact SG-CB 3Å; C223-C234 CovalentContact SG-SG 2.03Å; C223-C234 PolarHBondContact SG-SG 3.38Å |
| 235 | W | 94.8 | Very high | 86.4 | Confident | 39 Ų | 39 | 80.5 Ų | 80.5 | 15% | 0.148 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.2 | 177.4 | -70.5 | 66.3 | 0 | 0 | 0 | 110.1 | A210 E211 P212 Q227 V228 R230 L233 | A210-W235 HydrophobicContact CB-CB 4.48Å; A210-W235 HydrophobicContact CB-CE3 3.96Å; A210-W235 WeakPolarHBondContact O-CZ3 3.39Å; E211-W235 WeakPolarHBondContact O-CA 3.27Å; P212-W235 HydrophobicContact CB-CD2 4.24Å; P212-W235 HydrophobicContact CB-CH2 4.45Å; P212-W235 HydrophobicContact CB-CZ2 4.03Å; P212-W235 HydrophobicContact CG-CH2 4.31Å; P212-W235 HydrophobicContact CG-CZ2 4.31Å; Q227-W235 WeakPolarHBondContact CA-O 3.46Å; Q227-W235 WeakPolarHBondContact CB-O 3.22Å; V228-W235 HydrophobicContact CG1-CB 4.08Å; V228-W235 PolarHBondContact N-O 2.9Å; V228-W235 VanDerWaalsContact N-O 3.1Å; V228-W235 PolarHBondContact O-N 3.41Å; R230-W235 PolarHBondContact O-NE1 3.22Å; L233-W235 VanDerWaalsContact O-CD1 3.23Å |
| 236 | K | 93.3 | Very high | 86.7 | Confident | 86 Ų | 86 | 75 Ų | 75 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 167.2 | 175.3 | 64.7 | 175.6 | 175.9 | 154.2 | 0 | 109.8 | L201 A210 E211 T213 Q227 Y238 | L201-K236 VanDerWaalsContact CD2-C 3.41Å; A210-K236 CarbonylContact C-O 3.58Å; A210-K236 WeakPolarHBondContact CA-O 3.37Å; A210-K236 VanDerWaalsContact CB-O 3.31Å; A210-K236 WeakPolarHBondContact CB-O 3.32Å; E211-K236 HydrophobicContact CG-CG 4.11Å; E211-K236 PolarHBondContact N-O 3.43Å; E211-K236 PolarHBondContact O-N 3.1Å; E211-K236 WeakPolarHBondContact OE1-CE 3.22Å; E211-K236 IonicContact OE1-NZ 2.68Å; E211-K236 PolarHBondContact OE1-NZ 3.16Å; T213-K236 HydrophobicContact CG2-CB 4.08Å; T213-K236 HydrophobicContact CG2-CD 3.67Å; T213-K236 HydrophobicContact CG2-CG 3.61Å; Q227-K236 HydrophobicContact CG-CB 3.97Å; K236-Y238 PolarHBondContact O-N 3Å |
| 237 | K | 92.2 | Very high | 86.9 | Confident | 87 Ų | 87 | 79.1 Ų | 79.1 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 131 | 176 | -176.3 | -174.3 | -169.5 | 154.7 | 0 | 109.4 | L201 E203 V208 E239 | L201-K237 VanDerWaalsContact CD2-CA 3.49Å; L201-K237 HydrophobicContact CD2-CB 4.03Å; E203-K237 IonicContact OE1-NZ 2.9Å; E203-K237 VanDerWaalsContact OE2-CD 3.26Å; E203-K237 WeakPolarHBondContact OE2-CD 3.31Å; E203-K237 VanDerWaalsContact OE2-CE 3.22Å; E203-K237 WeakPolarHBondContact OE2-CE 3.43Å; E203-K237 IonicContact OE2-NZ 2.78Å; E203-K237 PolarHBondContact OE2-NZ 2.96Å; V208-K237 HydrophobicContact CG2-CG 4.17Å; K237-E239 PolarHBondContact O-N 2.89Å |
| 238 | Y | 88.3 | Confident | 86.8 | Confident | 101 Ų | 101 | 80.5 Ų | 80.5 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | trans | -75.1 | 113.2 | 170.8 | 178.3 | -107.3 | 0 | 0 | 0 | 108.3 | D209 E211 K236 A240 P241 | D209-Y238 HydrophobicContact CB-CD1 4.37Å; D209-Y238 WeakPolarHBondContact O-CB 3.41Å; D209-Y238 PolarHBondContact O-N 3.46Å; E211-Y238 HydrophobicContact CB-CD2 4.14Å; E211-Y238 HydrophobicContact CG-CD2 4.27Å; K236-Y238 PolarHBondContact O-N 3Å; Y238-A240 HydrophobicContact CE1-CB 4.15Å; Y238-P241 WeakPolarHBondContact OH-CD 3.35Å | ||
| 239 | E | 82.3 | Confident | 86.8 | Confident | 141 Ų | 141 | 81.4 Ų | 81.4 | 66% | 0.659 | 43% | 0.427 | S | S | * | . | trans | -89.6 | 111.9 | 167.8 | -67.5 | -176.5 | -175.6 | 0 | 0 | 107.3 | K237 | K237-E239 PolarHBondContact O-N 2.89Š| ||
| 240 | A | 72.1 | Confident | 86.5 | Confident | 67 Ų | 67 | 83 Ų | 83 | 55% | 0.554 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 136.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | Y238 I242 | Y238-A240 HydrophobicContact CE1-CB 4.15Å; A240-I242 PolarHBondContact O-N 3.39Å |
| 241 | P | 69.2 | Low | 86.4 | Confident | 98 Ų | 98 | 86 Ų | 86 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 117.6 | 171.5 | -25.5 | 33.1 | 0 | 0 | 0 | 108.9 | Y238 E243 | Y238-P241 WeakPolarHBondContact OH-CD 3.35Å; P241-E243 PolarHBondContact O-N 2.83Å |
| 242 | I | 70.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 55% | 0.554 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 129.8 | 173.2 | -57 | 174.7 | 0 | 0 | 0 | 106 | A240 G244 R245 | A240-I242 PolarHBondContact O-N 3.39Å; I242-G244 PolarHBondContact O-N 3.19Å; I242-G244 VanDerWaalsContact O-N 3.16Å; I242-R245 HydrophobicContact CB-CB 3.9Å; I242-R245 WeakPolarHBondContact O-CB 3.02Å; I242-R245 PolarHBondContact O-N 3.44Å |
| 243 | E | 73.2 | Confident | 86.2 | Confident | 197 Ų | 197 | 81.8 Ų | 81.8 | 92% | 0.921 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 123.7 | 179.6 | -166.8 | 175.1 | 178.5 | 0 | 0 | 110.2 | P241 R245 | P241-E243 PolarHBondContact O-N 2.83Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.06Å |
| 244 | G | 73.9 | Confident | 85.9 | Confident | 42 Ų | 42 | 80.9 Ų | 80.9 | 43% | 0.433 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -8.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | I242 S262 C263 | I242-G244 PolarHBondContact O-N 3.19Å; I242-G244 VanDerWaalsContact O-N 3.16Å; G244-S262 CarbonylContact O-C 3.54Å; G244-S262 VanDerWaalsContact O-CA 3.29Å; G244-S262 WeakPolarHBondContact O-CA 3.11Å; G244-C263 PolarHBondContact O-N 3.42Å |
| 245 | R | 87 | Confident | 85.6 | Confident | 127 Ų | 127 | 86 Ų | 86 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -87.6 | 143.5 | 172.6 | -167.5 | 177.4 | 177.4 | -169.2 | -3.8 | 110.9 | I242 E243 N261 | I242-R245 HydrophobicContact CB-CB 3.9Å; I242-R245 WeakPolarHBondContact O-CB 3.02Å; I242-R245 PolarHBondContact O-N 3.44Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.06Å; R245-N261 CarbonylContact C-O 3.56Å; R245-N261 VanDerWaalsContact CA-O 3.22Å; R245-N261 WeakPolarHBondContact CA-O 3.04Å; R245-N261 HydrophobicContact CG-CB 4.46Å; R245-N261 VanDerWaalsContact CG-O 3.32Å; R245-N261 WeakPolarHBondContact CG-O 3.41Å |
| 246 | C | 91 | Very high | 85.5 | Confident | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.02 | 47% | 0.472 | C | S | . | . | trans | -146.4 | 161.2 | -176.9 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | N251 C252 C258 N261 S262 | C246-N251 HydrophobicContact CB-CB 3.88Å; C246-C252 VanDerWaalsContact CB-SG 3.54Å; C246-C258 HydrophobicContact CB-CB 3.61Å; C246-C258 WeakPolarHBondContact CB-SG 3.03Å; C246-C258 PolarHBondContact O-SG 2.86Å; C246-C258 WeakPolarHBondContact SG-CA 3.43Å; C246-C258 WeakPolarHBondContact SG-CB 3.04Å; C246-C258 CovalentContact SG-SG 2.02Å; C246-C258 PolarHBondContact SG-SG 2.78Å; C246-N261 PolarHBondContact N-O 3.13Å; C246-N261 VanDerWaalsContact O-CA 3.23Å; C246-N261 WeakPolarHBondContact O-CA 3.28Å; C246-S262 PolarHBondContact SG-N 3.17Å; C246-S262 VanDerWaalsContact SG-N 3.38Å | ||
| 247 | E | 89.6 | Confident | 85.5 | Confident | 165 Ų | 165 | 82.5 Ų | 82.5 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -116.8 | -35.5 | 170.6 | -61.9 | -175.3 | 159.3 | 0 | 0 | 110.9 | N251 | E247-N251 PolarHBondContact N-OD1 2.9Š|
| 248 | T | 91.5 | Very high | 85.5 | Confident | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -127 | 159.6 | 177.6 | 71.8 | 0 | 0 | 0 | 0 | 110.1 | A250 N251 C258 | T248-A250 PolarHBondContact O-N 3.31Å; T248-A250 VanDerWaalsContact O-N 3.13Å; T248-A250 PolarHBondContact OG1-N 3.29Å; T248-N251 PolarHBondContact N-OD1 3.01Å; T248-N251 WeakPolarHBondContact O-CB 3.37Å; T248-N251 PolarHBondContact O-N 3.11Å; T248-N251 PolarHBondContact O-OD1 3.3Å; T248-N251 PolarHBondContact OG1-OD1 3.18Å; T248-C258 VanDerWaalsContact C-CB 3.47Å; T248-C258 WeakPolarHBondContact O-CB 3.38Å |
| 249 | H | 91.8 | Very high | 85.7 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -61.2 | -22.4 | 177.1 | -56.6 | -43.1 | 0 | 0 | 0 | 113.3 | N251 C252 L257 C258 F283 K285 | H249-N251 VanDerWaalsContact C-N 3.32Å; H249-C252 PolarHBondContact O-N 3.42Å; H249-L257 HydrophobicContact CB-CD2 3.98Å; H249-C258 PolarHBondContact CE1-O 2.99Å; H249-C258 PolarHBondContact ND1-N 2.74Å; H249-C258 PolarHBondContact ND1-O 3.29Å; H249-C258 VanDerWaalsContact ND1-O 3.11Å; H249-F283 AromaticContact NE2-CD1 3.37Å; H249-F283 WeakPolarHBondContact NE2-CD1 3.32Å; H249-F283 AromaticContact NE2-CG 3.35Å; H249-F283 WeakPolarHBondContact NE2-CG 3.43Å; H249-K285 HydrophobicContact CB-CD 4.14Å; H249-K285 VanDerWaalsContact O-CE 3.27Å; H249-K285 WeakPolarHBondContact O-CE 3.27Å; H249-K285 PolarHBondContact O-NZ 2.85Å |
| 250 | A | 88.6 | Confident | 86.1 | Confident | 86 Ų | 86 | 77.9 Ų | 77.9 | 71% | 0.711 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -70.5 | -25.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T248 C252 | T248-A250 PolarHBondContact O-N 3.31Å; T248-A250 VanDerWaalsContact O-N 3.13Å; T248-A250 PolarHBondContact OG1-N 3.29Å; A250-C252 PolarHBondContact O-N 2.79Å |
| 251 | N | 90.2 | Very high | 87 | Confident | 86 Ų | 86 | 79 Ų | 79 | 46% | 0.46 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -68.8 | -22.6 | 175.6 | -59.8 | 110.4 | 0 | 0 | 0 | 112.5 | C246 E247 T248 H249 | C246-N251 HydrophobicContact CB-CB 3.88Å; E247-N251 PolarHBondContact N-OD1 2.9Å; T248-N251 PolarHBondContact N-OD1 3.01Å; T248-N251 WeakPolarHBondContact O-CB 3.37Å; T248-N251 PolarHBondContact O-N 3.11Å; T248-N251 PolarHBondContact O-OD1 3.3Å; T248-N251 PolarHBondContact OG1-OD1 3.18Å; H249-N251 VanDerWaalsContact C-N 3.32Å |
| 252 | C | 91.5 | Very high | 88 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 3% | 0.027 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -86 | 128.7 | -179.4 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | C246 H249 A250 E256 C263 K285 | C246-C252 VanDerWaalsContact CB-SG 3.54Å; H249-C252 PolarHBondContact O-N 3.42Å; A250-C252 PolarHBondContact O-N 2.79Å; C252-E256 HydrophobicContact CB-CB 3.74Å; C252-C263 WeakPolarHBondContact CA-SG 3.3Å; C252-C263 HydrophobicContact CB-CB 3.75Å; C252-C263 WeakPolarHBondContact CB-SG 3.5Å; C252-C263 WeakPolarHBondContact SG-CA 3.42Å; C252-C263 WeakPolarHBondContact SG-CB 3.42Å; C252-C263 CovalentContact SG-SG 2.04Å; C252-C263 PolarHBondContact SG-SG 2.73Å; C252-K285 PolarHBondContact O-NZ 3.17Å |
| 253 | P | 87.5 | Confident | 89.1 | Confident | 92 Ų | 92 | 72.4 Ų | 72.4 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | trans | -70.6 | 162 | 177.5 | 30 | -34.8 | 0 | 0 | 0 | 111.8 | H255 E256 | P253-H255 PolarHBondContact O-N 3.07Å; P253-E256 PolarHBondContact O-N 3.43Å | ||
| 254 | G | 88.3 | Confident | 90 | Very high | 53 Ų | 53 | 64.9 Ų | 64.9 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | -122.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 255 | H | 90.2 | Very high | 90.9 | Very high | 108 Ų | 108 | 65.2 Ų | 65.2 | 50% | 0.5 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 30.8 | -168.6 | -61.5 | 176.9 | 0 | 0 | 0 | 113 | P253 M265 S266 W290 | P253-H255 PolarHBondContact O-N 3.07Å; H255-M265 HydrophobicContact CB-SD 4.24Å; H255-S266 CarbonylContact O-C 3.53Å; H255-S266 WeakPolarHBondContact O-CA 3.39Å; H255-S266 WeakPolarHBondContact O-CB 3.45Å; H255-S266 PolarHBondContact O-N 3.21Å; H255-S266 VanDerWaalsContact O-O 3.05Å; H255-W290 HydrophobicContact CB-CE3 4.31Å; H255-W290 HydrophobicContact CB-CH2 3.95Å; H255-W290 HydrophobicContact CB-CZ3 3.47Å; H255-W290 VanDerWaalsContact CB-CZ3 3.47Å; H255-W290 AromaticContact CD2-CH2 3.3Å; H255-W290 WeakPolarHBondContact CD2-CH2 3.47Å; H255-W290 AromaticContact CD2-CZ3 3.79Å; H255-W290 AromaticContact CG-CH2 3.62Å; H255-W290 AromaticContact CG-CZ3 3.58Å; H255-W290 AromaticContact NE2-CH2 3.96Å |
| 256 | E | 92.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 59.2 Ų | 59.2 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148.6 | -174.2 | -65 | 179.3 | 148.9 | 0 | 0 | 112.2 | C252 P253 C263 K264 K285 | C252-E256 HydrophobicContact CB-CB 3.74Å; P253-E256 PolarHBondContact O-N 3.43Å; E256-C263 HydrophobicContact CB-CB 4.15Å; E256-C263 WeakPolarHBondContact OE2-CB 3.37Å; E256-K264 CarbonylContact C-O 3.5Å; E256-K264 VanDerWaalsContact CA-O 3.27Å; E256-K264 WeakPolarHBondContact CA-O 3.4Å; E256-K285 PolarHBondContact O-NZ 2.03Å |
| 257 | L | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.7 | 172.1 | -73.7 | 175.9 | 0 | 0 | 0 | 110.4 | H249 V259 K264 S266 F283 K285 W290 | H249-L257 HydrophobicContact CB-CD2 3.98Å; L257-V259 HydrophobicContact CB-CG2 4.3Å; L257-V259 PolarHBondContact O-N 2.91Å; L257-K264 PolarHBondContact N-O 3.27Å; L257-K264 PolarHBondContact O-N 2.87Å; L257-S266 WeakPolarHBondContact CB-OG 3.28Å; L257-S266 WeakPolarHBondContact CD1-OG 3.4Å; L257-S266 VanDerWaalsContact CG-OG 3.32Å; L257-S266 WeakPolarHBondContact CG-OG 3.5Å; L257-S266 PolarHBondContact N-OG 2.88Å; L257-F283 HydrophobicContact CD1-CB 4.34Å; L257-F283 HydrophobicContact CD1-CD2 3.86Å; L257-F283 HydrophobicContact CD2-CB 4.14Å; L257-K285 HydrophobicContact CD2-CB 4.43Å; L257-K285 HydrophobicContact CD2-CD 4.3Å; L257-W290 HydrophobicContact CD1-CB 3.67Å; L257-W290 WeakPolarHBondContact CD1-O 3.35Å; L257-W290 HydrophobicContact CD2-CB 3.91Å; L257-W290 HydrophobicContact CG-CB 3.8Å |
| 258 | C | 93.4 | Very high | 91.5 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.8 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | C246 T248 H249 | C246-C258 HydrophobicContact CB-CB 3.61Å; C246-C258 WeakPolarHBondContact CB-SG 3.03Å; C246-C258 PolarHBondContact O-SG 2.86Å; C246-C258 WeakPolarHBondContact SG-CA 3.43Å; C246-C258 WeakPolarHBondContact SG-CB 3.04Å; C246-C258 CovalentContact SG-SG 2.02Å; C246-C258 PolarHBondContact SG-SG 2.78Å; T248-C258 VanDerWaalsContact C-CB 3.47Å; T248-C258 WeakPolarHBondContact O-CB 3.38Å; H249-C258 PolarHBondContact CE1-O 2.99Å; H249-C258 PolarHBondContact ND1-N 2.74Å; H249-C258 PolarHBondContact ND1-O 3.29Å; H249-C258 VanDerWaalsContact ND1-O 3.11Å |
| 259 | V | 91.5 | Very high | 91.4 | Very high | 45 Ų | 45 | 54 Ų | 54 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 126.9 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | L257 N261 S262 K264 V292 | L257-V259 HydrophobicContact CB-CG2 4.3Å; L257-V259 PolarHBondContact O-N 2.91Å; V259-N261 VanDerWaalsContact C-N 3.27Å; V259-N261 PolarHBondContact O-N 3.08Å; V259-S262 PolarHBondContact N-O 3.39Å; V259-S262 PolarHBondContact O-N 2.58Å; V259-K264 HydrophobicContact CB-CG 4.17Å; V259-V292 HydrophobicContact CG2-CG2 3.66Å |
| 260 | E | 90.7 | Very high | 91.4 | Very high | 173 Ų | 173 | 56 Ų | 56 | 81% | 0.808 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 45.4 | -176.8 | -60.5 | -178.2 | 141.5 | 0 | 0 | 112.7 | S262 | E260-S262 PolarHBondContact O-N 3.04Å; E260-S262 VanDerWaalsContact O-N 3.11Å |
| 261 | N | 91.2 | Very high | 91.8 | Very high | 91 Ų | 91 | 57.4 Ų | 57.4 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 15.8 | -176.1 | -55.7 | -31.1 | 0 | 0 | 0 | 115.3 | R245 C246 V259 | R245-N261 CarbonylContact C-O 3.56Å; R245-N261 VanDerWaalsContact CA-O 3.22Å; R245-N261 WeakPolarHBondContact CA-O 3.04Å; R245-N261 HydrophobicContact CG-CB 4.46Å; R245-N261 VanDerWaalsContact CG-O 3.32Å; R245-N261 WeakPolarHBondContact CG-O 3.41Å; C246-N261 PolarHBondContact N-O 3.13Å; C246-N261 VanDerWaalsContact O-CA 3.23Å; C246-N261 WeakPolarHBondContact O-CA 3.28Å; V259-N261 VanDerWaalsContact C-N 3.27Å; V259-N261 PolarHBondContact O-N 3.08Å |
| 262 | S | 91.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 54 Ų | 54 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.4 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 111 | G244 C246 V259 E260 K264 | G244-S262 CarbonylContact O-C 3.54Å; G244-S262 VanDerWaalsContact O-CA 3.29Å; G244-S262 WeakPolarHBondContact O-CA 3.11Å; C246-S262 PolarHBondContact SG-N 3.17Å; C246-S262 VanDerWaalsContact SG-N 3.38Å; V259-S262 PolarHBondContact N-O 3.39Å; V259-S262 PolarHBondContact O-N 2.58Å; E260-S262 PolarHBondContact O-N 3.04Å; E260-S262 VanDerWaalsContact O-N 3.11Å; S262-K264 PolarHBondContact O-N 2.71Å |
| 263 | C | 92.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 14% | 0.142 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 117.4 | 172.9 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | G244 C252 E256 | G244-C263 PolarHBondContact O-N 3.42Å; C252-C263 WeakPolarHBondContact CA-SG 3.3Å; C252-C263 HydrophobicContact CB-CB 3.75Å; C252-C263 WeakPolarHBondContact CB-SG 3.5Å; C252-C263 WeakPolarHBondContact SG-CA 3.42Å; C252-C263 WeakPolarHBondContact SG-CB 3.42Å; C252-C263 CovalentContact SG-SG 2.04Å; C252-C263 PolarHBondContact SG-SG 2.73Å; E256-C263 HydrophobicContact CB-CB 4.15Å; E256-C263 WeakPolarHBondContact OE2-CB 3.37Å |
| 264 | K | 92.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136 | 179.2 | -58.6 | -63.6 | 179.2 | -178.6 | 0 | 110 | E256 L257 V259 S262 S266 V292 E301 | E256-K264 CarbonylContact C-O 3.5Å; E256-K264 VanDerWaalsContact CA-O 3.27Å; E256-K264 WeakPolarHBondContact CA-O 3.4Å; L257-K264 PolarHBondContact N-O 3.27Å; L257-K264 PolarHBondContact O-N 2.87Å; V259-K264 HydrophobicContact CB-CG 4.17Å; S262-K264 PolarHBondContact O-N 2.71Å; K264-S266 PolarHBondContact O-N 2.9Å; K264-S266 PolarHBondContact O-OG 2.66Å; K264-S266 VanDerWaalsContact O-OG 3.07Å; K264-V292 HydrophobicContact CB-CG1 4.28Å; K264-E301 IonicContact NZ-OE1 3.21Å; K264-E301 PolarHBondContact NZ-OE1 3.2Å; K264-E301 IonicContact NZ-OE2 3.67Å; K264-E301 PolarHBondContact NZ-OE2 3.43Å |
| 265 | M | 92.4 | Very high | 92.9 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 135 | 172.9 | -174 | 56.3 | 62.2 | 0 | 0 | 110.4 | H255 G293 D299 | H255-M265 HydrophobicContact CB-SD 4.24Å; M265-G293 CarbonylContact C-O 3.53Å; M265-G293 PolarHBondContact O-N 3.15Å; M265-G293 VanDerWaalsContact O-N 3.1Å; M265-D299 HydrophobicContact CB-CB 4.03Å; M265-D299 HydrophobicContact CG-CB 4.08Å |
| 266 | S | 94.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 152.1 | -175.4 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | H255 L257 K264 K291 | H255-S266 CarbonylContact O-C 3.53Å; H255-S266 WeakPolarHBondContact O-CA 3.39Å; H255-S266 WeakPolarHBondContact O-CB 3.45Å; H255-S266 PolarHBondContact O-N 3.21Å; H255-S266 VanDerWaalsContact O-O 3.05Å; L257-S266 WeakPolarHBondContact CB-OG 3.28Å; L257-S266 WeakPolarHBondContact CD1-OG 3.4Å; L257-S266 VanDerWaalsContact CG-OG 3.32Å; L257-S266 WeakPolarHBondContact CG-OG 3.5Å; L257-S266 PolarHBondContact N-OG 2.88Å; K264-S266 PolarHBondContact O-N 2.9Å; K264-S266 PolarHBondContact O-OG 2.66Å; K264-S266 VanDerWaalsContact O-OG 3.07Å; S266-K291 CarbonylContact C-O 3.52Å; S266-K291 WeakPolarHBondContact CA-O 3.38Å; S266-K291 WeakPolarHBondContact CB-O 3.24Å |
| 267 | V | 93.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 63.2 Ų | 63.2 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.3 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | W290 K291 L295 Q310 | V267-W290 WeakPolarHBondContact O-CA 3.26Å; V267-K291 PolarHBondContact N-O 3.07Å; V267-K291 PolarHBondContact O-N 3.03Å; V267-L295 HydrophobicContact CG2-CD2 4.4Å; V267-Q310 HydrophobicContact CG2-CB 4Å |
| 268 | A | 92.9 | Very high | 93.4 | Very high | 44 Ų | 44 | 64 Ų | 64 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K288 C289 W290 | A268-K288 HydrophobicContact CB-CD 4.43Å; A268-C289 CarbonylContact C-O 3.51Å; A268-C289 WeakPolarHBondContact CA-O 3.36Å; A268-W290 HydrophobicContact CB-CD2 4.28Å; A268-W290 HydrophobicContact CB-CE3 3.95Å; A268-W290 HydrophobicContact CB-CH2 3.74Å; A268-W290 HydrophobicContact CB-CZ2 4.1Å; A268-W290 HydrophobicContact CB-CZ3 3.65Å |
| 269 | A | 89.7 | Confident | 93.3 | Very high | 58 Ų | 58 | 70.1 Ų | 70.1 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -134.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | C289 | A269-C289 HydrophobicContact CB-CB 4.13Å; A269-C289 PolarHBondContact N-O 3.49Å |
| 270 | H | 92.2 | Very high | 93.3 | Very high | 86 Ų | 86 | 77.7 Ų | 77.7 | 40% | 0.398 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 167.4 | 178.6 | 60.8 | -78 | 0 | 0 | 0 | 112.7 | D277 C289 | H270-D277 PolarHBondContact NE2-O 2.94Å; H270-C289 WeakPolarHBondContact O-CB 3.47Å; H270-C289 PolarHBondContact O-N 3.01Å |
| 271 | D | 96.4 | Very high | 93.2 | Very high | 115 Ų | 115 | 71.6 Ų | 71.6 | 62% | 0.615 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 150.1 | 178.5 | -54.4 | -38 | 0 | 0 | 0 | 111.2 | E287 K288 | D271-E287 CarbonylContact C-O 3.56Å; D271-E287 WeakPolarHBondContact CA-O 3.33Å; D271-K288 WeakPolarHBondContact OD1-CE 3.19Å |
| 272 | C | 96.4 | Very high | 93.3 | Very high | 14 Ų | 14 | 67.9 Ų | 67.9 | 10% | 0.095 | 37% | 0.372 | C | S | . | . | trans | -146.4 | 166.3 | -178 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | D277 C284 E287 K288 C289 | C272-D277 HydrophobicContact CB-CB 3.92Å; C272-C284 HydrophobicContact CB-CB 3.89Å; C272-C284 WeakPolarHBondContact CB-SG 3.41Å; C272-C284 WeakPolarHBondContact SG-CA 3.31Å; C272-C284 WeakPolarHBondContact SG-CB 3.41Å; C272-C284 CovalentContact SG-SG 2.03Å; C272-C284 PolarHBondContact SG-SG 3.26Å; C272-E287 PolarHBondContact N-O 3.38Å; C272-E287 CarbonylContact O-C 3.44Å; C272-E287 VanDerWaalsContact O-CA 3.31Å; C272-E287 WeakPolarHBondContact O-CA 3.46Å; C272-K288 VanDerWaalsContact SG-CA 3.59Å; C272-K288 PolarHBondContact SG-N 2.81Å; C272-K288 VanDerWaalsContact SG-N 3.44Å; C272-K288 PolarHBondContact SG-O 3.42Å; C272-C289 WeakPolarHBondContact CB-SG 3.46Å; C272-C289 PolarHBondContact SG-N 2.93Å; C272-C289 VanDerWaalsContact SG-N 3.38Å | ||
| 273 | T | 96.2 | Very high | 93.4 | Very high | 122 Ų | 122 | 68.9 Ų | 68.9 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -121.5 | -28.5 | 179.1 | 88.2 | 0 | 0 | 0 | 0 | 110.3 | D277 | T273-D277 WeakPolarHBondContact CA-OD2 3.28Å; T273-D277 WeakPolarHBondContact CB-OD2 3.49Å; T273-D277 PolarHBondContact N-OD2 2.96Å; T273-D277 PolarHBondContact OG1-OD2 3.05Å |
| 274 | E | 94.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -153.9 | 168.3 | 171.5 | 44.2 | 169.4 | -79.9 | 0 | 0 | 110.9 | K276 D277 C284 | E274-K276 HydrophobicContact CG-CD 4.41Å; E274-K276 HydrophobicContact CG-CG 3.99Å; E274-K276 PolarHBondContact O-N 2.68Å; E274-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 WeakPolarHBondContact OE1-CD 3.46Å; E274-K276 WeakPolarHBondContact OE1-CE 2.93Å; E274-K276 WeakPolarHBondContact OE1-CG 2.9Å; E274-K276 IonicContact OE1-NZ 2.67Å; E274-K276 PolarHBondContact OE1-NZ 2.92Å; E274-K276 WeakPolarHBondContact OE2-CE 3.45Å; E274-K276 IonicContact OE2-NZ 2.72Å; E274-K276 PolarHBondContact OE2-NZ 2.76Å; E274-D277 PolarHBondContact N-OD2 2.03Å; E274-D277 WeakPolarHBondContact O-CB 3.38Å; E274-D277 PolarHBondContact O-N 2.9Å; E274-C284 VanDerWaalsContact C-CB 3.44Å |
| 275 | D | 93.3 | Very high | 93.6 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -58.4 | -29.9 | -172.7 | -69.5 | -12.8 | 0 | 0 | 0 | 114.1 | D277 C278 C284 | D275-D277 PolarHBondContact O-N 3.03Å; D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.45Å; D275-C278 PolarHBondContact O-N 3.1Å; D275-C284 WeakPolarHBondContact OD1-CB 3.4Å; D275-C284 PolarHBondContact OD1-N 2.86Å |
| 276 | K | 94.2 | Very high | 93.6 | Very high | 154 Ų | 154 | 71.7 Ų | 71.7 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -67.1 | -20.4 | -179.9 | 78.6 | -178.1 | 176.2 | -135.3 | 0 | 113.2 | E274 C278 | E274-K276 HydrophobicContact CG-CD 4.41Å; E274-K276 HydrophobicContact CG-CG 3.99Å; E274-K276 PolarHBondContact O-N 2.68Å; E274-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 WeakPolarHBondContact OE1-CD 3.46Å; E274-K276 WeakPolarHBondContact OE1-CE 2.93Å; E274-K276 WeakPolarHBondContact OE1-CG 2.9Å; E274-K276 IonicContact OE1-NZ 2.67Å; E274-K276 PolarHBondContact OE1-NZ 2.92Å; E274-K276 WeakPolarHBondContact OE2-CE 3.45Å; E274-K276 IonicContact OE2-NZ 2.72Å; E274-K276 PolarHBondContact OE2-NZ 2.76Å; K276-C278 PolarHBondContact O-N 2.93Å |
| 277 | D | 95.7 | Very high | 93.5 | Very high | 60 Ų | 60 | 79 Ų | 79 | 32% | 0.321 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -72.9 | -16 | 175.9 | -55.8 | -32.6 | 0 | 0 | 0 | 110.9 | H270 C272 T273 E274 D275 | H270-D277 PolarHBondContact NE2-O 2.94Å; C272-D277 HydrophobicContact CB-CB 3.92Å; T273-D277 WeakPolarHBondContact CA-OD2 3.28Å; T273-D277 WeakPolarHBondContact CB-OD2 3.49Å; T273-D277 PolarHBondContact N-OD2 2.96Å; T273-D277 PolarHBondContact OG1-OD2 3.05Å; E274-D277 PolarHBondContact N-OD2 2.03Å; E274-D277 WeakPolarHBondContact O-CB 3.38Å; E274-D277 PolarHBondContact O-N 2.9Å; D275-D277 PolarHBondContact O-N 3.03Å |
| 278 | C | 95.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 81.9 Ų | 81.9 | 12% | 0.115 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -90.3 | 153.3 | -177.6 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | D275 K276 A282 C289 | D275-C278 VanDerWaalsContact O-CB 3.29Å; D275-C278 WeakPolarHBondContact O-CB 3.45Å; D275-C278 PolarHBondContact O-N 3.1Å; K276-C278 PolarHBondContact O-N 2.93Å; C278-A282 HydrophobicContact CB-CB 3.84Å; C278-C289 WeakPolarHBondContact CA-SG 3.48Å; C278-C289 HydrophobicContact CB-CB 3.82Å; C278-C289 WeakPolarHBondContact CB-SG 3.39Å; C278-C289 WeakPolarHBondContact SG-CA 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.26Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.28Å |
| 279 | Q | 92.2 | Very high | 93.7 | Very high | 142 Ų | 142 | 79.8 Ų | 79.8 | 66% | 0.664 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 158 | 172.4 | -67.3 | -176.3 | -16.5 | 0 | 0 | 110.7 | G281 A282 | Q279-G281 PolarHBondContact O-N 2.85Å; Q279-A282 WeakPolarHBondContact O-CB 3.48Å; Q279-A282 PolarHBondContact O-N 3.36Å |
| 280 | K | 90.5 | Very high | 94 | Very high | 204 Ų | 204 | 77.9 Ų | 77.9 | 89% | 0.887 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 125 | 179.9 | -173.6 | 177.5 | -179.4 | 178.7 | 0 | 112 | A282 | K280-A282 VanDerWaalsContact C-N 3.33Š|
| 281 | G | 88.1 | Confident | 94.1 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | 7.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q279 | Q279-G281 PolarHBondContact O-N 2.85Š|
| 282 | A | 93.9 | Very high | 93.9 | Very high | 12 Ų | 12 | 76.3 Ų | 76.3 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 155.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | C278 Q279 K280 W290 K291 | C278-A282 HydrophobicContact CB-CB 3.84Å; Q279-A282 WeakPolarHBondContact O-CB 3.48Å; Q279-A282 PolarHBondContact O-N 3.36Å; K280-A282 VanDerWaalsContact C-N 3.33Å; A282-W290 CarbonylContact C-O 3.51Å; A282-W290 WeakPolarHBondContact CA-O 3.44Å; A282-W290 VanDerWaalsContact CB-O 3.26Å; A282-W290 WeakPolarHBondContact CB-O 3.18Å; A282-K291 HydrophobicContact CB-CB 4.02Å |
| 283 | F | 94.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 145.1 | -173.9 | -60 | -89.4 | 0 | 0 | 0 | 110.3 | H249 L257 C289 W290 | H249-F283 AromaticContact NE2-CD1 3.37Å; H249-F283 WeakPolarHBondContact NE2-CD1 3.32Å; H249-F283 AromaticContact NE2-CG 3.35Å; H249-F283 WeakPolarHBondContact NE2-CG 3.43Å; L257-F283 HydrophobicContact CD1-CB 4.34Å; L257-F283 HydrophobicContact CD1-CD2 3.86Å; L257-F283 HydrophobicContact CD2-CB 4.14Å; F283-C289 CarbonylContact O-C 3.57Å; F283-C289 WeakPolarHBondContact O-CA 3.19Å; F283-W290 PolarHBondContact N-O 2.04Å; F283-W290 PolarHBondContact O-N 2.86Å |
| 284 | C | 94.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 70.1 Ų | 70.1 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.7 | 179 | -167.4 | 0 | 0 | 0 | 0 | 110.3 | C272 E274 D275 | C272-C284 HydrophobicContact CB-CB 3.89Å; C272-C284 WeakPolarHBondContact CB-SG 3.41Å; C272-C284 WeakPolarHBondContact SG-CA 3.31Å; C272-C284 WeakPolarHBondContact SG-CB 3.41Å; C272-C284 CovalentContact SG-SG 2.03Å; C272-C284 PolarHBondContact SG-SG 3.26Å; E274-C284 VanDerWaalsContact C-CB 3.44Å; D275-C284 WeakPolarHBondContact OD1-CB 3.4Å; D275-C284 PolarHBondContact OD1-N 2.86Å |
| 285 | K | 93.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 129.6 | 175 | 171.8 | -176.7 | 172.2 | 172.5 | 0 | 109.2 | H249 C252 E256 L257 E287 K288 W290 | H249-K285 HydrophobicContact CB-CD 4.14Å; H249-K285 VanDerWaalsContact O-CE 3.27Å; H249-K285 WeakPolarHBondContact O-CE 3.27Å; H249-K285 PolarHBondContact O-NZ 2.85Å; C252-K285 PolarHBondContact O-NZ 3.17Å; E256-K285 PolarHBondContact O-NZ 2.03Å; L257-K285 HydrophobicContact CD2-CB 4.43Å; L257-K285 HydrophobicContact CD2-CD 4.3Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.04Å; K285-K288 PolarHBondContact N-O 3.15Å; K285-K288 PolarHBondContact O-N 2.81Å; K285-W290 PolarHBondContact O-NE1 2.88Å |
| 286 | N | 91.6 | Very high | 93.5 | Very high | 127 Ų | 127 | 73.2 Ų | 73.2 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 49.5 | -177.9 | -58.8 | -22.9 | 0 | 0 | 0 | 112 | K288 | N286-K288 PolarHBondContact O-N 3.3Š|
| 287 | E | 93.8 | Very high | 93.5 | Very high | 157 Ų | 157 | 67.7 Ų | 67.7 | 73% | 0.734 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 12.2 | 177.4 | -50.8 | 176.2 | 139.5 | 0 | 0 | 115 | D271 C272 K285 | D271-E287 CarbonylContact C-O 3.56Å; D271-E287 WeakPolarHBondContact CA-O 3.33Å; C272-E287 PolarHBondContact N-O 3.38Å; C272-E287 CarbonylContact O-C 3.44Å; C272-E287 VanDerWaalsContact O-CA 3.31Å; C272-E287 WeakPolarHBondContact O-CA 3.46Å; K285-E287 VanDerWaalsContact C-N 3.29Å; K285-E287 PolarHBondContact O-N 3.04Å |
| 288 | K | 94.9 | Very high | 93.3 | Very high | 89 Ų | 89 | 69.2 Ų | 69.2 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.7 | 175.5 | -71 | -164.8 | 173 | -169.7 | 0 | 112.1 | A268 D271 C272 K285 N286 W290 | A268-K288 HydrophobicContact CB-CD 4.43Å; D271-K288 WeakPolarHBondContact OD1-CE 3.19Å; C272-K288 VanDerWaalsContact SG-CA 3.59Å; C272-K288 PolarHBondContact SG-N 2.81Å; C272-K288 VanDerWaalsContact SG-N 3.44Å; C272-K288 PolarHBondContact SG-O 3.42Å; K285-K288 PolarHBondContact N-O 3.15Å; K285-K288 PolarHBondContact O-N 2.81Å; N286-K288 PolarHBondContact O-N 3.3Å; K288-W290 HydrophobicContact CB-CZ2 4.49Å; K288-W290 PolarHBondContact O-NE1 2.85Å |
| 289 | C | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.3 | 170.1 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | A268 A269 H270 C272 C278 F283 | A268-C289 CarbonylContact C-O 3.51Å; A268-C289 WeakPolarHBondContact CA-O 3.36Å; A269-C289 HydrophobicContact CB-CB 4.13Å; A269-C289 PolarHBondContact N-O 3.49Å; H270-C289 WeakPolarHBondContact O-CB 3.47Å; H270-C289 PolarHBondContact O-N 3.01Å; C272-C289 WeakPolarHBondContact CB-SG 3.46Å; C272-C289 PolarHBondContact SG-N 2.93Å; C272-C289 VanDerWaalsContact SG-N 3.38Å; C278-C289 WeakPolarHBondContact CA-SG 3.48Å; C278-C289 HydrophobicContact CB-CB 3.82Å; C278-C289 WeakPolarHBondContact CB-SG 3.39Å; C278-C289 WeakPolarHBondContact SG-CA 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.26Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.28Å; F283-C289 CarbonylContact O-C 3.57Å; F283-C289 WeakPolarHBondContact O-CA 3.19Å |
| 290 | W | 95.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.6 | 175.9 | -61.6 | 84.2 | 0 | 0 | 0 | 109.4 | H255 L257 V267 A268 A282 F283 K285 K288 | H255-W290 HydrophobicContact CB-CE3 4.31Å; H255-W290 HydrophobicContact CB-CH2 3.95Å; H255-W290 HydrophobicContact CB-CZ3 3.47Å; H255-W290 VanDerWaalsContact CB-CZ3 3.47Å; H255-W290 AromaticContact CD2-CH2 3.3Å; H255-W290 WeakPolarHBondContact CD2-CH2 3.47Å; H255-W290 AromaticContact CD2-CZ3 3.79Å; H255-W290 AromaticContact CG-CH2 3.62Å; H255-W290 AromaticContact CG-CZ3 3.58Å; H255-W290 AromaticContact NE2-CH2 3.96Å; L257-W290 HydrophobicContact CD1-CB 3.67Å; L257-W290 WeakPolarHBondContact CD1-O 3.35Å; L257-W290 HydrophobicContact CD2-CB 3.91Å; L257-W290 HydrophobicContact CG-CB 3.8Å; V267-W290 WeakPolarHBondContact O-CA 3.26Å; A268-W290 HydrophobicContact CB-CD2 4.28Å; A268-W290 HydrophobicContact CB-CE3 3.95Å; A268-W290 HydrophobicContact CB-CH2 3.74Å; A268-W290 HydrophobicContact CB-CZ2 4.1Å; A268-W290 HydrophobicContact CB-CZ3 3.65Å; A282-W290 CarbonylContact C-O 3.51Å; A282-W290 WeakPolarHBondContact CA-O 3.44Å; A282-W290 VanDerWaalsContact CB-O 3.26Å; A282-W290 WeakPolarHBondContact CB-O 3.18Å; F283-W290 PolarHBondContact N-O 2.04Å; F283-W290 PolarHBondContact O-N 2.86Å; K285-W290 PolarHBondContact O-NE1 2.88Å; K288-W290 HydrophobicContact CB-CZ2 4.49Å; K288-W290 PolarHBondContact O-NE1 2.85Å |
| 291 | K | 94.1 | Very high | 93.1 | Very high | 101 Ų | 101 | 59.9 Ų | 59.9 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.5 | 172 | -173.6 | 173 | 178.2 | 173.9 | 0 | 109.3 | S266 V267 A282 G293 | S266-K291 CarbonylContact C-O 3.52Å; S266-K291 WeakPolarHBondContact CA-O 3.38Å; S266-K291 WeakPolarHBondContact CB-O 3.24Å; V267-K291 PolarHBondContact N-O 3.07Å; V267-K291 PolarHBondContact O-N 3.03Å; A282-K291 HydrophobicContact CB-CB 4.02Å; K291-G293 PolarHBondContact O-N 3.31Å |
| 292 | V | 93.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 40% | 0.4 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 125.9 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | V259 K264 | V259-V292 HydrophobicContact CG2-CG2 3.66Å; K264-V292 HydrophobicContact CB-CG1 4.28Å |
| 293 | G | 93.6 | Very high | 93.3 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | trans | -168.7 | -163.7 | -172 | 0 | 0 | 0 | 0 | 0 | 110.5 | M265 K291 Q310 | M265-G293 CarbonylContact C-O 3.53Å; M265-G293 PolarHBondContact O-N 3.15Å; M265-G293 VanDerWaalsContact O-N 3.1Å; K291-G293 PolarHBondContact O-N 3.31Å; G293-Q310 WeakPolarHBondContact CA-O 3.42Å | ||
| 294 | C | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -150.9 | 153.3 | -173.7 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | D299 C300 C306 Q310 | C294-D299 HydrophobicContact CB-CB 3.86Å; C294-C300 VanDerWaalsContact CB-SG 3.55Å; C294-C300 VanDerWaalsContact SG-SG 3.62Å; C294-C306 HydrophobicContact CB-CB 3.63Å; C294-C306 WeakPolarHBondContact CB-SG 3.38Å; C294-C306 PolarHBondContact O-SG 3.42Å; C294-C306 WeakPolarHBondContact SG-CA 3.05Å; C294-C306 WeakPolarHBondContact SG-CB 3.43Å; C294-C306 CovalentContact SG-SG 2.03Å; C294-C306 PolarHBondContact SG-SG 3.27Å; C294-Q310 PolarHBondContact N-O 3.22Å; C294-Q310 VanDerWaalsContact N-O 3.11Å; C294-Q310 VanDerWaalsContact O-CB 3.22Å; C294-Q310 WeakPolarHBondContact O-CB 3.29Å; C294-Q310 WeakPolarHBondContact O-CG 3.19Å | ||
| 295 | L | 92 | Very high | 93.3 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 57% | 0.565 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -112.5 | -29.7 | 172.3 | -62.4 | 177.8 | 0 | 0 | 0 | 111.3 | V267 D299 | V267-L295 HydrophobicContact CG2-CD2 4.4Å; L295-D299 WeakPolarHBondContact CA-OD2 3.02Å; L295-D299 PolarHBondContact N-OD2 3.48Å |
| 296 | K | 92.2 | Very high | 93.4 | Very high | 122 Ų | 122 | 58.3 Ų | 58.3 | 53% | 0.53 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -134.4 | 164.5 | 176.4 | 56.7 | 173.6 | 179.4 | 175.1 | 0 | 110.9 | D298 D299 C306 | K296-D298 HydrophobicContact CD-CB 4.28Å; K296-D298 PolarHBondContact O-N 3.39Å; K296-D299 WeakPolarHBondContact CE-OD1 3.14Å; K296-D299 VanDerWaalsContact CG-CG 3.4Å; K296-D299 VanDerWaalsContact CG-OD1 3.24Å; K296-D299 WeakPolarHBondContact CG-OD1 3.21Å; K296-D299 VanDerWaalsContact CG-OD2 3.26Å; K296-D299 WeakPolarHBondContact CG-OD2 3.31Å; K296-D299 PolarHBondContact N-OD2 3.42Å; K296-D299 WeakPolarHBondContact O-CB 3.27Å; K296-D299 PolarHBondContact O-N 3.32Å; K296-D299 VanDerWaalsContact O-N 3.17Å; K296-C306 WeakPolarHBondContact O-CB 3.34Å |
| 297 | H | 93.1 | Very high | 93.4 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 18% | 0.181 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -62.4 | -29.6 | -177.7 | -59.1 | -51.6 | 0 | 0 | 0 | 113.8 | D299 C300 L305 C306 D325 A333 K335 | H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.4Å; H297-C300 WeakPolarHBondContact O-CB 3.49Å; H297-C300 PolarHBondContact O-N 2.88Å; H297-L305 HydrophobicContact CB-CD2 3.81Å; H297-C306 PolarHBondContact CE1-O 2.02Å; H297-C306 PolarHBondContact ND1-N 3.38Å; H297-C306 PolarHBondContact ND1-O 2.96Å; H297-C306 VanDerWaalsContact ND1-O 3.16Å; H297-D325 IonicContact CD2-OD1 3.94Å; H297-D325 IonicContact CD2-OD2 3.98Å; H297-D325 IonicContact NE2-OD2 3.91Å; H297-A333 VanDerWaalsContact CD2-CB 3.42Å; H297-A333 WeakPolarHBondContact CD2-CB 3.33Å; H297-A333 VanDerWaalsContact NE2-CB 3.3Å; H297-A333 WeakPolarHBondContact NE2-CB 2.94Å; H297-K335 HydrophobicContact CB-CB 4.3Å; H297-K335 HydrophobicContact CB-CD 4.39Å; H297-K335 HydrophobicContact CB-CG 4.38Å; H297-K335 WeakPolarHBondContact O-CD 3.47Å; H297-K335 WeakPolarHBondContact O-CE 2.93Å |
| 298 | D | 91.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 51.3 Ų | 51.3 | 49% | 0.492 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -72.6 | -18.4 | 178.6 | -65.3 | -30 | 0 | 0 | 0 | 113.8 | K296 C300 | K296-D298 HydrophobicContact CD-CB 4.28Å; K296-D298 PolarHBondContact O-N 3.39Å; D298-C300 PolarHBondContact O-N 2.88Å |
| 299 | D | 92.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -70.8 | -18.7 | 175.7 | -56.4 | -27.5 | 0 | 0 | 0 | 111.7 | M265 C294 L295 K296 H297 | M265-D299 HydrophobicContact CB-CB 4.03Å; M265-D299 HydrophobicContact CG-CB 4.08Å; C294-D299 HydrophobicContact CB-CB 3.86Å; L295-D299 WeakPolarHBondContact CA-OD2 3.02Å; L295-D299 PolarHBondContact N-OD2 3.48Å; K296-D299 WeakPolarHBondContact CE-OD1 3.14Å; K296-D299 VanDerWaalsContact CG-CG 3.4Å; K296-D299 VanDerWaalsContact CG-OD1 3.24Å; K296-D299 WeakPolarHBondContact CG-OD1 3.21Å; K296-D299 VanDerWaalsContact CG-OD2 3.26Å; K296-D299 WeakPolarHBondContact CG-OD2 3.31Å; K296-D299 PolarHBondContact N-OD2 3.42Å; K296-D299 WeakPolarHBondContact O-CB 3.27Å; K296-D299 PolarHBondContact O-N 3.32Å; K296-D299 VanDerWaalsContact O-N 3.17Å; H297-D299 VanDerWaalsContact C-N 3.29Å; H297-D299 PolarHBondContact O-N 3.4Å |
| 300 | C | 92.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -88.8 | 138.3 | -179.9 | -68.8 | 0 | 0 | 0 | 0 | 110.6 | C294 H297 D298 T304 C306 C312 K335 | C294-C300 VanDerWaalsContact CB-SG 3.55Å; C294-C300 VanDerWaalsContact SG-SG 3.62Å; H297-C300 WeakPolarHBondContact O-CB 3.49Å; H297-C300 PolarHBondContact O-N 2.88Å; D298-C300 PolarHBondContact O-N 2.88Å; C300-T304 WeakPolarHBondContact CB-OG1 3.43Å; C300-C306 PolarHBondContact SG-N 3.05Å; C300-C306 VanDerWaalsContact SG-N 3.44Å; C300-C312 WeakPolarHBondContact CA-SG 3.31Å; C300-C312 HydrophobicContact CB-CB 3.73Å; C300-C312 WeakPolarHBondContact CB-SG 3.33Å; C300-C312 WeakPolarHBondContact SG-CA 3.09Å; C300-C312 WeakPolarHBondContact SG-CB 2.93Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.94Å; C300-K335 VanDerWaalsContact O-CE 3.25Å; C300-K335 WeakPolarHBondContact O-CE 3.07Å; C300-K335 PolarHBondContact O-NZ 2.05Å |
| 301 | E | 90.6 | Very high | 93 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | trans | -88.5 | 152.1 | -179.2 | -67.3 | -179.6 | 139.2 | 0 | 0 | 112.8 | K264 T304 | K264-E301 IonicContact NZ-OE1 3.21Å; K264-E301 PolarHBondContact NZ-OE1 3.2Å; K264-E301 IonicContact NZ-OE2 3.67Å; K264-E301 PolarHBondContact NZ-OE2 3.43Å; E301-T304 PolarHBondContact O-OG1 2.84Å | ||
| 302 | G | 91.2 | Very high | 93 | Very high | 57 Ų | 57 | 59.2 Ų | 59.2 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 56.2 | -141.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T304 K335 | G302-T304 PolarHBondContact O-N 3.43Å; G302-K335 PolarHBondContact O-NZ 3.1Å |
| 303 | A | 93.9 | Very high | 93.1 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -81.4 | 46.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q314 A315 W340 | A303-Q314 PolarHBondContact O-NE2 3Å; A303-A315 PolarHBondContact O-N 2.93Å; A303-A315 VanDerWaalsContact O-O 3.05Å; A303-W340 HydrophobicContact CB-CH2 4.13Å; A303-W340 HydrophobicContact CB-CZ3 3.65Å |
| 304 | T | 95.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.5 | 179.4 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | C300 E301 G302 Q313 K335 | C300-T304 WeakPolarHBondContact CB-OG1 3.43Å; E301-T304 PolarHBondContact O-OG1 2.84Å; G302-T304 PolarHBondContact O-N 3.43Å; T304-Q313 CarbonylContact C-O 3.52Å; T304-Q313 WeakPolarHBondContact CA-O 3.5Å; T304-Q313 VanDerWaalsContact CB-O 3.29Å; T304-Q313 WeakPolarHBondContact CB-O 3.46Å; T304-K335 WeakPolarHBondContact O-CD 3.38Å; T304-K335 PolarHBondContact O-NZ 3.41Å |
| 305 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.2 | 176 | -72.2 | 175.7 | 0 | 0 | 0 | 109.9 | H297 N307 C312 Q313 A315 A333 K335 W340 F342 | H297-L305 HydrophobicContact CB-CD2 3.81Å; L305-N307 PolarHBondContact O-N 2.9Å; L305-C312 WeakPolarHBondContact O-CA 3.35Å; L305-Q313 PolarHBondContact N-O 3.24Å; L305-Q313 PolarHBondContact O-N 3.45Å; L305-A315 HydrophobicContact CB-CB 4.13Å; L305-A315 HydrophobicContact CD1-CB 3.73Å; L305-A315 HydrophobicContact CG-CB 3.54Å; L305-A333 HydrophobicContact CD1-CB 3.96Å; L305-A333 HydrophobicContact CD2-CB 3.91Å; L305-K335 HydrophobicContact CD2-CB 3.97Å; L305-K335 HydrophobicContact CD2-CD 3.97Å; L305-W340 HydrophobicContact CD1-CB 3.72Å; L305-W340 HydrophobicContact CD2-CB 4Å; L305-W340 HydrophobicContact CD2-CG 4.41Å; L305-W340 HydrophobicContact CG-CB 4.05Å; L305-F342 HydrophobicContact CB-CD1 4.14Å; L305-F342 HydrophobicContact CB-CE1 3.46Å; L305-F342 VanDerWaalsContact CB-CE1 3.46Å; L305-F342 HydrophobicContact CB-CZ 3.8Å; L305-F342 HydrophobicContact CD1-CD1 4.48Å; L305-F342 HydrophobicContact CD1-CE1 4.31Å; L305-F342 HydrophobicContact CD1-CE2 4.46Å; L305-F342 HydrophobicContact CD1-CZ 4.28Å |
| 306 | C | 95.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 121.3 | 169.6 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | C294 K296 H297 C300 | C294-C306 HydrophobicContact CB-CB 3.63Å; C294-C306 WeakPolarHBondContact CB-SG 3.38Å; C294-C306 PolarHBondContact O-SG 3.42Å; C294-C306 WeakPolarHBondContact SG-CA 3.05Å; C294-C306 WeakPolarHBondContact SG-CB 3.43Å; C294-C306 CovalentContact SG-SG 2.03Å; C294-C306 PolarHBondContact SG-SG 3.27Å; K296-C306 WeakPolarHBondContact O-CB 3.34Å; H297-C306 PolarHBondContact CE1-O 2.02Å; H297-C306 PolarHBondContact ND1-N 3.38Å; H297-C306 PolarHBondContact ND1-O 2.96Å; H297-C306 VanDerWaalsContact ND1-O 3.16Å; C300-C306 PolarHBondContact SG-N 3.05Å; C300-C306 VanDerWaalsContact SG-N 3.44Å |
| 307 | N | 93.3 | Very high | 93.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.144 | 36% | 0.356 | C | S | . | . | trans | -92.8 | 174.7 | 175.2 | 68.9 | 18.8 | 0 | 0 | 0 | 112.1 | L305 K309 Q310 T311 Q313 F342 | L305-N307 PolarHBondContact O-N 2.9Å; N307-K309 PolarHBondContact O-N 2.86Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CA 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.44Å; N307-K309 PolarHBondContact OD1-N 2.83Å; N307-Q310 WeakPolarHBondContact O-CA 2.93Å; N307-Q310 PolarHBondContact O-N 3.37Å; N307-Q310 PolarHBondContact OD1-N 2.88Å; N307-T311 VanDerWaalsContact CG-O 3.22Å; N307-T311 PolarHBondContact N-O 3.19Å; N307-T311 PolarHBondContact ND2-OG1 3.5Å; N307-T311 PolarHBondContact OD1-N 2.83Å; N307-T311 PolarHBondContact OD1-O 2.71Å; N307-T311 PolarHBondContact OD1-OG1 3.09Å; N307-Q313 PolarHBondContact ND2-OE1 3.23Å; N307-F342 HydrophobicContact CB-CE1 3.88Å; N307-F342 HydrophobicContact CB-CZ 3.91Å | ||
| 308 | A | 91.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 90% | 0.901 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -17.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 309 | K | 91.9 | Very high | 92.7 | Very high | 176 Ų | 176 | 66 Ų | 66 | 77% | 0.765 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 8.8 | 173.1 | -61.6 | -177.6 | 180 | 178.4 | 0 | 112.4 | N307 T311 | N307-K309 PolarHBondContact O-N 2.86Å; N307-K309 VanDerWaalsContact O-N 3.09Å; N307-K309 WeakPolarHBondContact OD1-CA 3.4Å; N307-K309 WeakPolarHBondContact OD1-CB 3.44Å; N307-K309 PolarHBondContact OD1-N 2.83Å; K309-T311 PolarHBondContact O-N 2.92Å |
| 310 | Q | 93.9 | Very high | 92.3 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 58.6 | 35.7 | -178.8 | -61.9 | 172.2 | -43.9 | 0 | 0 | 113.1 | V267 G293 C294 N307 | V267-Q310 HydrophobicContact CG2-CB 4Å; G293-Q310 WeakPolarHBondContact CA-O 3.42Å; C294-Q310 PolarHBondContact N-O 3.22Å; C294-Q310 VanDerWaalsContact N-O 3.11Å; C294-Q310 VanDerWaalsContact O-CB 3.22Å; C294-Q310 WeakPolarHBondContact O-CB 3.29Å; C294-Q310 WeakPolarHBondContact O-CG 3.19Å; N307-Q310 WeakPolarHBondContact O-CA 2.93Å; N307-Q310 PolarHBondContact O-N 3.37Å; N307-Q310 PolarHBondContact OD1-N 2.88Å |
| 311 | T | 93.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 76.8 Ų | 76.8 | 36% | 0.356 | 41% | 0.411 | S | S | . | . | trans | -119.7 | 142.1 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | N307 K309 Q313 | N307-T311 VanDerWaalsContact CG-O 3.22Å; N307-T311 PolarHBondContact N-O 3.19Å; N307-T311 PolarHBondContact ND2-OG1 3.5Å; N307-T311 PolarHBondContact OD1-N 2.83Å; N307-T311 PolarHBondContact OD1-O 2.71Å; N307-T311 PolarHBondContact OD1-OG1 3.09Å; K309-T311 PolarHBondContact O-N 2.92Å; T311-Q313 PolarHBondContact O-N 3.09Å | ||
| 312 | C | 94.4 | Very high | 92.3 | Very high | 57 Ų | 57 | 71.1 Ų | 71.1 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 111.4 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | C300 L305 | C300-C312 WeakPolarHBondContact CA-SG 3.31Å; C300-C312 HydrophobicContact CB-CB 3.73Å; C300-C312 WeakPolarHBondContact CB-SG 3.33Å; C300-C312 WeakPolarHBondContact SG-CA 3.09Å; C300-C312 WeakPolarHBondContact SG-CB 2.93Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.94Å; L305-C312 WeakPolarHBondContact O-CA 3.35Å |
| 313 | Q | 95 | Very high | 92.2 | Very high | 76 Ų | 76 | 76 Ų | 76 | 36% | 0.355 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.9 | 179.1 | -179.8 | 176.5 | -15.4 | 0 | 0 | 110.1 | T304 L305 N307 T311 A315 F342 V343 | T304-Q313 CarbonylContact C-O 3.52Å; T304-Q313 WeakPolarHBondContact CA-O 3.5Å; T304-Q313 VanDerWaalsContact CB-O 3.29Å; T304-Q313 WeakPolarHBondContact CB-O 3.46Å; L305-Q313 PolarHBondContact N-O 3.24Å; L305-Q313 PolarHBondContact O-N 3.45Å; N307-Q313 PolarHBondContact ND2-OE1 3.23Å; T311-Q313 PolarHBondContact O-N 3.09Å; Q313-A315 PolarHBondContact O-N 2.96Å; Q313-F342 HydrophobicContact CB-CD1 3.97Å; Q313-F342 HydrophobicContact CB-CE1 4.08Å; Q313-F342 HydrophobicContact CG-CD1 4.06Å; Q313-V343 PolarHBondContact NE2-O 3.35Å |
| 314 | Q | 95.4 | Very high | 92.1 | Very high | 107 Ų | 107 | 77.6 Ų | 77.6 | 50% | 0.5 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 133 | 175.2 | -171.3 | 64 | 56.1 | 0 | 0 | 111.1 | A303 V343 | A303-Q314 PolarHBondContact O-NE2 3Å; Q314-V343 HydrophobicContact CB-CB 4.48Å; Q314-V343 HydrophobicContact CG-CB 4.22Å; Q314-V343 HydrophobicContact CG-CG2 4.19Å; Q314-V343 PolarHBondContact O-N 3.19Å |
| 315 | A | 95.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 79.8 Ų | 79.8 | 2% | 0.017 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | A303 L305 Q313 W340 T341 | A303-A315 PolarHBondContact O-N 2.93Å; A303-A315 VanDerWaalsContact O-O 3.05Å; L305-A315 HydrophobicContact CB-CB 4.13Å; L305-A315 HydrophobicContact CD1-CB 3.73Å; L305-A315 HydrophobicContact CG-CB 3.54Å; Q313-A315 PolarHBondContact O-N 2.96Å; A315-W340 HydrophobicContact CB-CB 4.38Å; A315-W340 HydrophobicContact CB-CE3 4.08Å; A315-T341 CarbonylContact C-O 3.48Å; A315-T341 WeakPolarHBondContact CA-O 3.4Å; A315-T341 WeakPolarHBondContact CB-O 3.44Å |
| 316 | K | 94 | Very high | 91.6 | Very high | 120 Ų | 120 | 85.6 Ų | 85.6 | 52% | 0.522 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.9 | 172.1 | 64.9 | -178.3 | 178.4 | -174.8 | 0 | 109.6 | W340 T341 V343 | K316-W340 WeakPolarHBondContact O-CA 3.42Å; K316-T341 HydrophobicContact CD-CG2 4.31Å; K316-T341 HydrophobicContact CG-CG2 3.64Å; K316-T341 PolarHBondContact N-O 3.28Å; K316-T341 PolarHBondContact O-N 3.19Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG2 4.14Å; K316-V343 HydrophobicContact CG-CG2 3.89Å |
| 317 | R | 93.5 | Very high | 91.5 | Very high | 135 Ų | 135 | 89.6 Ų | 89.6 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.2 | 168.7 | -175.6 | 179.7 | 164.1 | -168.7 | -7.8 | 108.5 | F338 C339 W340 | R317-F338 HydrophobicContact CG-CB 4.32Å; R317-F338 VanDerWaalsContact CZ-CE1 3.47Å; R317-C339 WeakPolarHBondContact CA-O 3.07Å; R317-W340 HydrophobicContact CB-CD2 4.18Å; R317-W340 HydrophobicContact CB-CE3 4.13Å; R317-W340 HydrophobicContact CB-CH2 4.36Å; R317-W340 HydrophobicContact CB-CZ2 4.42Å; R317-W340 HydrophobicContact CB-CZ3 4.2Å |
| 318 | F | 90.1 | Very high | 91.3 | Very high | 113 Ų | 113 | 89 Ų | 89 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | -20.2 | 178.5 | 78.8 | -81.1 | 0 | 0 | 0 | 113.4 | A332 C339 T341 | F318-A332 HydrophobicContact CE1-CB 3.63Å; F318-A332 HydrophobicContact CZ-CB 3.76Å; F318-C339 HydrophobicContact CE1-CB 4.02Å; F318-C339 HydrophobicContact CZ-CB 4.26Å; F318-C339 PolarHBondContact N-O 3.01Å; F318-C339 VanDerWaalsContact N-O 3.11Å; F318-T341 HydrophobicContact CB-CG2 4.48Å; F318-T341 HydrophobicContact CD1-CG2 3.73Å; F318-T341 HydrophobicContact CE1-CG2 4.34Å; F318-T341 HydrophobicContact CG-CG2 4.29Å |
| 319 | G | 79.4 | Confident | 91.1 | Very high | 22 Ų | 22 | 85.8 Ų | 85.8 | 23% | 0.227 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | -177.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | C339 | G319-C339 PolarHBondContact N-O 3.29Å |
| 320 | G | 83.7 | Confident | 90.8 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -162.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C339 | G320-C339 PolarHBondContact O-N 2.86Å |
| 321 | R | 90.3 | Very high | 90.2 | Very high | 216 Ų | 216 | 87.5 Ų | 87.5 | 82% | 0.815 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 146.6 | 175.5 | -70.1 | -177.9 | -178.1 | -111.8 | 4.2 | 110.8 | G337 F338 | R321-G337 CarbonylContact C-O 3.58Å; R321-G337 WeakPolarHBondContact CA-O 3.5Å; R321-F338 HydrophobicContact CG-CD1 4.28Å; R321-F338 HydrophobicContact CG-CE1 3.85Å |
| 322 | C | 93.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 85.6 Ų | 85.6 | 6% | 0.061 | 46% | 0.456 | C | S | . | . | trans | -139.2 | 160.1 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | N327 C334 G337 F338 | C322-N327 HydrophobicContact CB-CB 3.81Å; C322-C334 HydrophobicContact CB-CB 3.76Å; C322-C334 WeakPolarHBondContact CB-SG 3.19Å; C322-C334 PolarHBondContact O-SG 3.16Å; C322-C334 VanDerWaalsContact O-SG 3.4Å; C322-C334 WeakPolarHBondContact SG-CA 3.46Å; C322-C334 WeakPolarHBondContact SG-CB 3.29Å; C322-C334 CovalentContact SG-SG 2.02Å; C322-C334 PolarHBondContact SG-SG 3.37Å; C322-G337 PolarHBondContact N-O 3.12Å; C322-G337 WeakPolarHBondContact O-CA 3.47Å; C322-F338 VanDerWaalsContact SG-CA 3.53Å; C322-F338 PolarHBondContact SG-N 2.88Å; C322-F338 PolarHBondContact SG-O 3.32Å | ||
| 323 | L | 90.5 | Very high | 90 | Very high | 161 Ų | 161 | 83 Ų | 83 | 84% | 0.843 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -109.6 | -35.6 | 170 | -61.9 | 176.2 | 0 | 0 | 0 | 110.7 | N327 | L323-N327 PolarHBondContact N-OD1 2.02Š|
| 324 | T | 90.9 | Very high | 89.9 | Confident | 73 Ų | 73 | 80.2 Ų | 80.2 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -137.5 | 160.7 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | T326 N327 C334 | T324-T326 PolarHBondContact O-N 2.8Å; T324-T326 VanDerWaalsContact O-N 3.12Å; T324-T326 PolarHBondContact OG1-OG1 3.28Å; T324-N327 PolarHBondContact N-OD1 2.84Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.21Å; T324-N327 PolarHBondContact O-OD1 2.82Å; T324-N327 PolarHBondContact OG1-OD1 3.24Å; T324-C334 VanDerWaalsContact C-CB 3.43Å |
| 325 | D | 90.3 | Very high | 89.9 | Confident | 72 Ų | 72 | 75.3 Ų | 75.3 | 39% | 0.385 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -55.8 | -31.8 | 179.6 | -61.7 | -23.7 | 0 | 0 | 0 | 112.8 | H297 N327 C328 A333 C334 | H297-D325 IonicContact CD2-OD1 3.94Å; H297-D325 IonicContact CD2-OD2 3.98Å; H297-D325 IonicContact NE2-OD2 3.91Å; D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.17Å; D325-C328 WeakPolarHBondContact O-CB 3.22Å; D325-C328 PolarHBondContact O-N 2.97Å; D325-A333 WeakPolarHBondContact OD1-CA 2.92Å; D325-C334 PolarHBondContact OD1-N 2.71Å |
| 326 | T | 89.4 | Confident | 89.6 | Confident | 122 Ų | 122 | 81.4 Ų | 81.4 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -60.4 | -24.4 | 177.8 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | T324 C328 | T324-T326 PolarHBondContact O-N 2.8Å; T324-T326 VanDerWaalsContact O-N 3.12Å; T324-T326 PolarHBondContact OG1-OG1 3.28Å; T326-C328 PolarHBondContact O-N 3.11Å |
| 327 | N | 91.9 | Very high | 89.6 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -72.3 | -17.4 | 175.2 | -57.2 | 131.6 | 0 | 0 | 0 | 112.9 | C322 L323 T324 D325 | C322-N327 HydrophobicContact CB-CB 3.81Å; L323-N327 PolarHBondContact N-OD1 2.02Å; T324-N327 PolarHBondContact N-OD1 2.84Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.21Å; T324-N327 PolarHBondContact O-OD1 2.82Å; T324-N327 PolarHBondContact OG1-OD1 3.24Å; D325-N327 PolarHBondContact O-N 3.25Å; D325-N327 VanDerWaalsContact O-N 3.17Å |
| 328 | C | 90.7 | Very high | 89.6 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 10% | 0.095 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -97.9 | -6.5 | -171.5 | -58.7 | 0 | 0 | 0 | 0 | 114 | D325 T326 A332 C339 | D325-C328 WeakPolarHBondContact O-CB 3.22Å; D325-C328 PolarHBondContact O-N 2.97Å; T326-C328 PolarHBondContact O-N 3.11Å; C328-A332 HydrophobicContact CB-CB 3.67Å; C328-A332 WeakPolarHBondContact O-CB 3.47Å; C328-C339 WeakPolarHBondContact CA-SG 3.27Å; C328-C339 HydrophobicContact CB-CB 3.62Å; C328-C339 WeakPolarHBondContact CB-SG 3.01Å; C328-C339 WeakPolarHBondContact SG-CA 3.23Å; C328-C339 WeakPolarHBondContact SG-CB 3.49Å; C328-C339 CovalentContact SG-SG 2.04Å; C328-C339 PolarHBondContact SG-SG 2.81Å |
| 329 | G | 86.6 | Confident | 89.8 | Confident | 43 Ų | 43 | 68.1 Ų | 68.1 | 44% | 0.443 | 39% | 0.391 | S | S | . | . | trans | 79.1 | -168.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 330 | N | 84.3 | Confident | 90.6 | Very high | 169 Ų | 169 | 68.7 Ų | 68.7 | 90% | 0.904 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 140.5 | -173 | -70.7 | -19.7 | 0 | 0 | 0 | 112.3 | A332 | N330-A332 PolarHBondContact O-N 3.32Š|
| 331 | N | 83 | Confident | 91.1 | Very high | 128 Ų | 128 | 67.8 Ų | 67.8 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 24.3 | 178.5 | -154.1 | 46.7 | 0 | 0 | 0 | 114.3 | ||
| 332 | A | 90.2 | Very high | 91.2 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 158.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | F318 C328 N330 W340 | F318-A332 HydrophobicContact CE1-CB 3.63Å; F318-A332 HydrophobicContact CZ-CB 3.76Å; C328-A332 HydrophobicContact CB-CB 3.67Å; C328-A332 WeakPolarHBondContact O-CB 3.47Å; N330-A332 PolarHBondContact O-N 3.32Å; A332-W340 CarbonylContact C-O 3.5Å; A332-W340 WeakPolarHBondContact CA-O 3.04Å; A332-W340 WeakPolarHBondContact CB-O 3.17Å |
| 333 | A | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 65.2 Ų | 65.2 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | H297 L305 D325 C339 W340 | H297-A333 VanDerWaalsContact CD2-CB 3.42Å; H297-A333 WeakPolarHBondContact CD2-CB 3.33Å; H297-A333 VanDerWaalsContact NE2-CB 3.3Å; H297-A333 WeakPolarHBondContact NE2-CB 2.94Å; L305-A333 HydrophobicContact CD1-CB 3.96Å; L305-A333 HydrophobicContact CD2-CB 3.91Å; D325-A333 WeakPolarHBondContact OD1-CA 2.92Å; A333-C339 WeakPolarHBondContact O-CA 3.44Å; A333-W340 PolarHBondContact N-O 2.97Å; A333-W340 PolarHBondContact O-N 2.78Å |
| 334 | C | 93.6 | Very high | 91.1 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 119.3 | 170.5 | -169 | 0 | 0 | 0 | 0 | 109.4 | C322 T324 D325 F338 | C322-C334 HydrophobicContact CB-CB 3.76Å; C322-C334 WeakPolarHBondContact CB-SG 3.19Å; C322-C334 PolarHBondContact O-SG 3.16Å; C322-C334 VanDerWaalsContact O-SG 3.4Å; C322-C334 WeakPolarHBondContact SG-CA 3.46Å; C322-C334 WeakPolarHBondContact SG-CB 3.29Å; C322-C334 CovalentContact SG-SG 2.02Å; C322-C334 PolarHBondContact SG-SG 3.37Å; T324-C334 VanDerWaalsContact C-CB 3.43Å; D325-C334 PolarHBondContact OD1-N 2.71Å; C334-F338 WeakPolarHBondContact CA-O 3.47Å |
| 335 | K | 93.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.017 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 130.8 | 175.4 | -177.6 | -173.1 | 176.8 | -169.3 | 0 | 109.1 | H297 C300 G302 T304 L305 G337 F338 W340 | H297-K335 HydrophobicContact CB-CB 4.3Å; H297-K335 HydrophobicContact CB-CD 4.39Å; H297-K335 HydrophobicContact CB-CG 4.38Å; H297-K335 WeakPolarHBondContact O-CD 3.47Å; H297-K335 WeakPolarHBondContact O-CE 2.93Å; C300-K335 VanDerWaalsContact O-CE 3.25Å; C300-K335 WeakPolarHBondContact O-CE 3.07Å; C300-K335 PolarHBondContact O-NZ 2.05Å; G302-K335 PolarHBondContact O-NZ 3.1Å; T304-K335 WeakPolarHBondContact O-CD 3.38Å; T304-K335 PolarHBondContact O-NZ 3.41Å; L305-K335 HydrophobicContact CD2-CB 3.97Å; L305-K335 HydrophobicContact CD2-CD 3.97Å; K335-G337 PolarHBondContact O-N 3.49Å; K335-F338 PolarHBondContact N-O 3.45Å; K335-F338 PolarHBondContact O-N 3.38Å; K335-F338 VanDerWaalsContact O-N 3.12Å; K335-W340 HydrophobicContact CB-CG 4.46Å; K335-W340 PolarHBondContact O-NE1 3.19Å |
| 336 | L | 90.7 | Very high | 91.2 | Very high | 130 Ų | 130 | 59.1 Ų | 59.1 | 68% | 0.681 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.5 | -174.5 | -59 | 172 | 0 | 0 | 0 | 112.9 | F338 | L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 VanDerWaalsContact O-CD2 3.24Å; L336-F338 WeakPolarHBondContact O-CD2 3.08Å; L336-F338 PolarHBondContact O-N 2.03Å |
| 337 | G | 92.1 | Very high | 91.3 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 14.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R321 C322 K335 | R321-G337 CarbonylContact C-O 3.58Å; R321-G337 WeakPolarHBondContact CA-O 3.5Å; C322-G337 PolarHBondContact N-O 3.12Å; C322-G337 WeakPolarHBondContact O-CA 3.47Å; K335-G337 PolarHBondContact O-N 3.49Å |
| 338 | F | 93.7 | Very high | 91.2 | Very high | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.228 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.9 | 174.8 | -62.5 | -75.1 | 0 | 0 | 0 | 112.3 | R317 R321 C322 C334 K335 L336 W340 | R317-F338 HydrophobicContact CG-CB 4.32Å; R317-F338 VanDerWaalsContact CZ-CE1 3.47Å; R321-F338 HydrophobicContact CG-CD1 4.28Å; R321-F338 HydrophobicContact CG-CE1 3.85Å; C322-F338 VanDerWaalsContact SG-CA 3.53Å; C322-F338 PolarHBondContact SG-N 2.88Å; C322-F338 PolarHBondContact SG-O 3.32Å; C334-F338 WeakPolarHBondContact CA-O 3.47Å; K335-F338 PolarHBondContact N-O 3.45Å; K335-F338 PolarHBondContact O-N 3.38Å; K335-F338 VanDerWaalsContact O-N 3.12Å; L336-F338 VanDerWaalsContact C-N 3.33Å; L336-F338 VanDerWaalsContact O-CD2 3.24Å; L336-F338 WeakPolarHBondContact O-CD2 3.08Å; L336-F338 PolarHBondContact O-N 2.03Å; F338-W340 PolarHBondContact O-NE1 3.39Å |
| 339 | C | 95.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 127.3 | 177.9 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | R317 F318 G319 G320 C328 A333 | R317-C339 WeakPolarHBondContact CA-O 3.07Å; F318-C339 HydrophobicContact CE1-CB 4.02Å; F318-C339 HydrophobicContact CZ-CB 4.26Å; F318-C339 PolarHBondContact N-O 3.01Å; F318-C339 VanDerWaalsContact N-O 3.11Å; G319-C339 PolarHBondContact N-O 3.29Å; G320-C339 PolarHBondContact O-N 2.86Å; C328-C339 WeakPolarHBondContact CA-SG 3.27Å; C328-C339 HydrophobicContact CB-CB 3.62Å; C328-C339 WeakPolarHBondContact CB-SG 3.01Å; C328-C339 WeakPolarHBondContact SG-CA 3.23Å; C328-C339 WeakPolarHBondContact SG-CB 3.49Å; C328-C339 CovalentContact SG-SG 2.04Å; C328-C339 PolarHBondContact SG-SG 2.81Å; A333-C339 WeakPolarHBondContact O-CA 3.44Å |
| 340 | W | 95.4 | Very high | 91.6 | Very high | 34 Ų | 34 | 56.5 Ų | 56.5 | 13% | 0.129 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.9 | -179.7 | -61 | 80.9 | 0 | 0 | 0 | 110.7 | A303 L305 A315 K316 R317 A332 A333 K335 F338 | A303-W340 HydrophobicContact CB-CH2 4.13Å; A303-W340 HydrophobicContact CB-CZ3 3.65Å; L305-W340 HydrophobicContact CD1-CB 3.72Å; L305-W340 HydrophobicContact CD2-CB 4Å; L305-W340 HydrophobicContact CD2-CG 4.41Å; L305-W340 HydrophobicContact CG-CB 4.05Å; A315-W340 HydrophobicContact CB-CB 4.38Å; A315-W340 HydrophobicContact CB-CE3 4.08Å; K316-W340 WeakPolarHBondContact O-CA 3.42Å; R317-W340 HydrophobicContact CB-CD2 4.18Å; R317-W340 HydrophobicContact CB-CE3 4.13Å; R317-W340 HydrophobicContact CB-CH2 4.36Å; R317-W340 HydrophobicContact CB-CZ2 4.42Å; R317-W340 HydrophobicContact CB-CZ3 4.2Å; A332-W340 CarbonylContact C-O 3.5Å; A332-W340 WeakPolarHBondContact CA-O 3.04Å; A332-W340 WeakPolarHBondContact CB-O 3.17Å; A333-W340 PolarHBondContact N-O 2.97Å; A333-W340 PolarHBondContact O-N 2.78Å; K335-W340 HydrophobicContact CB-CG 4.46Å; K335-W340 PolarHBondContact O-NE1 3.19Å; F338-W340 PolarHBondContact O-NE1 3.39Å |
| 341 | T | 94.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 47.8 Ų | 47.8 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.3 | 170 | 180 | 0 | 0 | 0 | 0 | 109.1 | A315 K316 F318 | A315-T341 CarbonylContact C-O 3.48Å; A315-T341 WeakPolarHBondContact CA-O 3.4Å; A315-T341 WeakPolarHBondContact CB-O 3.44Å; K316-T341 HydrophobicContact CD-CG2 4.31Å; K316-T341 HydrophobicContact CG-CG2 3.64Å; K316-T341 PolarHBondContact N-O 3.28Å; K316-T341 PolarHBondContact O-N 3.19Å; F318-T341 HydrophobicContact CB-CG2 4.48Å; F318-T341 HydrophobicContact CD1-CG2 3.73Å; F318-T341 HydrophobicContact CE1-CG2 4.34Å; F318-T341 HydrophobicContact CG-CG2 4.29Å |
| 342 | F | 92.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 148.6 | 170.8 | -64.2 | -74.6 | 0 | 0 | 0 | 111.2 | L305 N307 Q313 | L305-F342 HydrophobicContact CB-CD1 4.14Å; L305-F342 HydrophobicContact CB-CE1 3.46Å; L305-F342 VanDerWaalsContact CB-CE1 3.46Å; L305-F342 HydrophobicContact CB-CZ 3.8Å; L305-F342 HydrophobicContact CD1-CD1 4.48Å; L305-F342 HydrophobicContact CD1-CE1 4.31Å; L305-F342 HydrophobicContact CD1-CE2 4.46Å; L305-F342 HydrophobicContact CD1-CZ 4.28Å; N307-F342 HydrophobicContact CB-CE1 3.88Å; N307-F342 HydrophobicContact CB-CZ 3.91Å; Q313-F342 HydrophobicContact CB-CD1 3.97Å; Q313-F342 HydrophobicContact CB-CE1 4.08Å; Q313-F342 HydrophobicContact CG-CD1 4.06Å |
| 343 | V | 90.6 | Very high | 93.2 | Very high | 123 Ų | 123 | 43.4 Ų | 43.4 | 75% | 0.745 | 24% | 0.244 | S | C | * | . | trans | -98.9 | 0 | 171.2 | -178 | 0 | 0 | 0 | 0 | 109.6 | Q313 Q314 K316 | Q313-V343 PolarHBondContact NE2-O 3.35Å; Q314-V343 HydrophobicContact CB-CB 4.48Å; Q314-V343 HydrophobicContact CG-CB 4.22Å; Q314-V343 HydrophobicContact CG-CG2 4.19Å; Q314-V343 PolarHBondContact O-N 3.19Å; K316-V343 HydrophobicContact CB-CG2 3.83Å; K316-V343 HydrophobicContact CD-CG2 4.14Å; K316-V343 HydrophobicContact CG-CG2 3.89Å |
Retrieved 343 of 343 residues in 494.6 ms
(Link to these results)